A0A061IQ43_CRIGR Loading...

2-oxoglutarate dehydrogenase complex component E1

AlphaFold DB , UniProt , Accession A0A061IQ43, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Ogdh, Length 1,034 aa.

						>A0A061IQ43_CRIGR|A0A061IQ43|Ogdh
MFHLRTCAAKLRPLTASQTVKTFSQNKPAAIRTFQQIRCYSAPVAAEPFLSGTSSNYVEEMYCAWLENPKSVHKSWDIFFRNTNAGAPPGTAYQSPLSLSRSSLATMAHAQSLVEAQPNVDKLVEDHLAVQSLIRAYQVRGHHIAKLDPLGISCVNFDDAPVTVSSNVDLAVFKERLRMLTVGGFYGLDESDLDKVFHLPTTTFIGGQESALPLREIIRRLEMAYCQHIGVEFMFINDLEQCQWIRQKFETPGIMQFTNEEKRTLLARLVRSTRFEEFLQRKWSSEKRFGLEGCEVLIPALKTIIDKSSENGVDYVIMGMPHRGRLNVLANVIRKELEQIFCQFDSKLEAADEGSGDMKYHLGMYHRRINRVTDRNITLSLVANPSHLEAADPVVMGKTKAEQFYCGDTEGKKVMSILLHGDAAFAGQGIVYETFHLSDLPSYTTHGTVHVVVNNQIGFTTDPRMARSSPYPTDVARVVNAPIFHVNSDDPEAVMYVCKVAAEWRSTFHKDVVVDLVCYRRNGHNEMDEPMFTQPLMYKQIRKQKPVLQKYAELLVSQGVVNQPEYEEEISKYDKICEEAFTRSKDEKILHIKHWLDSPWPGFFTLDGQPRSMSCPSTGLEEDVLAHIGNVASSVPVENFTIHGGLSRILKTRKELVTNRTVDWALAEYMAFGSLLKEGIHVRLSGQDVERGTFSHRHHVLHDQNVDKRTCIPMNHLWPNQAPYTVCNSSLSEYGVLGFELGFAMASPNALVLWEAQFGDFNNMAQCIIDQFICPGQAKWVRQNGIVLLLPHGMEGMGPEHSSARPERFLQMCNDDPDVLPDLQEDNFDINQLYDCNWIVVNCSTPGNFFHVLRRQILLPFRKPLIVFTPKSLLRHPEARTNFDEMLPGTHFQRVIPENGPAAQDPNNVKRLLFCTGKVYYDLTRERKARGMEEQVAITRIEQLSPFPFDLLLKEAQKYPNAELAWCQEEHKNQGYYDYVKPRLRTTIDRAKPVWYAGRDPAAAPATGNKKTHLTELQRFLDTAFDLEAFKKFS
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30	Very low	25.1	Very low	231 Å²	231	148.8 Å²	148.8	100%	1.138	78%	0.781	S	S	*	*				0	98	0	-65	-175.2	-159	0	0	106.4
2	F	22	Very low	24.7	Very low	176 Å²	176	154.6 Å²	154.6	77%	0.772	79%	0.785	S	S	*	*				60.7	123.4	94.3	-83.9	-64.4	0	0	0	111.3
3	H	23.8	Very low	25.2	Very low	143 Å²	143	151.6 Å²	151.6	66%	0.662	78%	0.782	S	S	*	*			cis	-157.8	139.5	19.2	-102.4	-71.7	0	0	0	107.6
4	L	26.3	Very low	25.1	Very low	120 Å²	120	151 Å²	151	63%	0.628	78%	0.78	S	S	*	*				88.5	121.8	62.6	-135.3	168.6	0	0	0	113.2	T6	L4-T6 HydrophobicContact CD2-CG2 4.28Å
5	R	27.1	Very low	25.1	Very low	219 Å²	219	150.9 Å²	150.9	83%	0.826	79%	0.789	S	S	*	*				158	104.2	128.6	-89.5	-174.3	179.2	-178.2	0.9	113.1
6	T	27.4	Very low	25.3	Very low	112 Å²	112	147.8 Å²	147.8	69%	0.687	79%	0.792	S	S	*	*				92.4	141.9	83	42	0	0	0	0	112.2	L4	L4-T6 HydrophobicContact CD2-CG2 4.28Å
7	C	24.6	Very low	25.2	Very low	111 Å²	111	145 Å²	145	75%	0.75	79%	0.787	S	S	*	*			cis	-161.2	136.8	20.6	-111.2	0	0	0	0	108.2
8	A	23.7	Very low	25.2	Very low	95 Å²	95	146.5 Å²	146.5	79%	0.785	79%	0.788	S	S	*	*				75.6	141.6	78.8	0	0	0	0	0	114
9	A	24.4	Very low	25.3	Very low	86 Å²	86	145.3 Å²	145.3	71%	0.711	79%	0.786	S	S	*	*			cis	-175	158	-3.4	0	0	0	0	0	107.3
10	K	23.6	Very low	25.2	Very low	187 Å²	187	145 Å²	145	81%	0.813	79%	0.789	S	S	*	*				163.9	146.8	91.3	-87.7	-174.7	176.4	178.2	0	107
11	L	23.4	Very low	25.3	Very low	157 Å²	157	147.3 Å²	147.3	82%	0.822	79%	0.791	S	S	*	*			cis	-161.3	144.5	9.7	-102	154.7	0	0	0	110.2
12	R	20.3	Very low	25	Very low	218 Å²	218	143.1 Å²	143.1	82%	0.823	78%	0.779	S	S	*	*			trans	-86.3	-166.6	166.3	-77.9	-178.2	170.2	-178.7	-2.4	109.9
13	P	30.8	Very low	25	Very low	116 Å²	116	144.6 Å²	144.6	75%	0.753	79%	0.786	S	S	*	*			cis	-146.8	177.5	8.4	34.1	-7.9	0	0	0	120
14	L	24.5	Very low	25	Very low	143 Å²	143	142.4 Å²	142.4	75%	0.749	79%	0.786	S	S	*	*			trans	-29.6	149.8	160.6	-63.8	134.2	0	0	0	119.2
15	T	24.3	Very low	25	Very low	150 Å²	150	144.3 Å²	144.3	92%	0.92	79%	0.792	S	S	*	*				-171.5	147.4	114.6	28.6	0	0	0	0	112.3
16	A	28.2	Very low	24.8	Very low	100 Å²	100	139.8 Å²	139.8	83%	0.826	78%	0.784	S	S	*	*			trans	-98.1	158.6	-179.9	0	0	0	0	0	112.7
17	S	23.8	Very low	24.8	Very low	101 Å²	101	143.7 Å²	143.7	71%	0.706	79%	0.792	S	S	*	*			trans	137	123.6	134.1	-162.1	0	0	0	0	115.4
18	Q	25.4	Very low	25.3	Very low	172 Å²	172	144.1 Å²	144.1	80%	0.804	79%	0.793	S	S	*	*			trans	73.4	115.7	139	-82.6	179	-4.4	0	0	123.8
19	T	26.6	Very low	25.3	Very low	124 Å²	124	144.7 Å²	144.7	76%	0.761	80%	0.798	S	S	*	*			trans	64.2	125.5	139.4	7.3	0	0	0	0	120.8
20	V	23.6	Very low	25.5	Very low	139 Å²	139	145.5 Å²	145.5	84%	0.842	80%	0.804	S	S	*	*				-162.2	137.1	128.2	165.5	0	0	0	0	109.7
21	K	27.6	Very low	25.7	Very low	193 Å²	193	144 Å²	144	84%	0.839	80%	0.803	S	S	*	*			trans	-76.4	144.6	167	-78.9	176.9	171.8	176.9	0	110.7
22	T	23.1	Very low	25.8	Very low	144 Å²	144	147.8 Å²	147.8	88%	0.883	81%	0.807	S	S	*	*			trans	-170.6	146.7	138.3	16.7	0	0	0	0	114.2
23	F	23.1	Very low	26.2	Very low	207 Å²	207	142.6 Å²	142.6	91%	0.908	80%	0.8	S	S	*	*			trans	-103	147	170.1	-113.2	-90.8	0	0	0	110.1
24	S	23.1	Very low	26	Very low	97 Å²	97	147.4 Å²	147.4	68%	0.678	81%	0.809	S	S	*	*			trans	64.8	139.8	146.2	162.5	0	0	0	0	120.1
25	Q	26.2	Very low	26.1	Very low	160 Å²	160	147.2 Å²	147.2	75%	0.748	80%	0.804	S	S	*	*			cis	-171.3	168	7.2	-113.9	-179.8	3.3	0	0	112.1
26	N	24	Very low	26.2	Very low	123 Å²	123	149.9 Å²	149.9	66%	0.658	81%	0.806	S	S	*	*			trans	88.2	100.3	155.5	-65.9	-23.6	0	0	0	119.6
27	K	26.2	Very low	26.1	Very low	195 Å²	195	149.9 Å²	149.9	85%	0.848	79%	0.792	S	S	*	*				86	152.7	80	-91.8	-169.4	-178.7	-180	0	113.5
28	P	34.8	Very low	26.3	Very low	119 Å²	119	155.8 Å²	155.8	77%	0.773	80%	0.798	S	S	*	*			cis	-131.7	148.2	3.1	37.2	-19.4	0	0	0	115
29	A	25.3	Very low	26.3	Very low	108 Å²	108	152.2 Å²	152.2	89%	0.893	79%	0.791	S	S	*	*			trans	-151.2	133.6	160.2	0	0	0	0	0	110.9
30	A	27	Very low	26.5	Very low	102 Å²	102	156.1 Å²	156.1	84%	0.843	79%	0.793	S	S	*	*			trans	-72.2	154.8	-164.9	0	0	0	0	0	114.7
31	I	27.7	Very low	26.9	Very low	155 Å²	155	154.9 Å²	154.9	80%	0.795	79%	0.791	S	S	*	*			trans	-62.5	129.6	-175	-65.3	157.7	0	0	0	111.7
32	R	25.9	Very low	27.3	Very low	237 Å²	237	149.2 Å²	149.2	89%	0.894	78%	0.78	S	S	*	*			trans	-123.3	110.1	157.8	-83.7	-171.6	178.4	-176.4	0.2	110
33	T	28.8	Very low	28.1	Very low	109 Å²	109	148.8 Å²	148.8	67%	0.669	78%	0.78	S	S	*	*			trans	-59	132.3	167.2	29.4	0	0	0	0	111.5
34	F	27.5	Very low	28.8	Very low	218 Å²	218	145.3 Å²	145.3	96%	0.956	78%	0.775	S	S	*	*			trans	-94.1	87.5	158.8	-95.4	-84.1	0	0	0	108.5
35	Q	26.3	Very low	29.9	Very low	138 Å²	138	143.2 Å²	143.2	65%	0.645	76%	0.764	S	S	*	*			trans	-69.5	129.8	156.3	-81.9	171.1	-41.8	0	0	108.6	I37	Q35-I37 VanDerWaalsContact C-N 3.27Å; Q35-I37 HydrophobicContact CB-CD1 4.05Å; Q35-I37 HydrophobicContact CB-CG1 4.05Å; Q35-I37 VanDerWaalsContact CD-CD1 3.5Å; Q35-I37 HydrophobicContact CG-CD1 4.22Å; Q35-I37 PolarHBondContact O-N 3.31Å; Q35-I37 VanDerWaalsContact O-N 3.14Å
36	Q	26.9	Very low	31.2	Very low	207 Å²	207	139 Å²	139	97%	0.967	76%	0.756	S	S	*	*			trans	-77.5	86.1	153.4	-97.1	-176.6	-12.8	0	0	107.9
37	I	26.4	Very low	33	Very low	100 Å²	100	133.7 Å²	133.7	51%	0.513	73%	0.728	S	S	.	*			trans	-107.3	108.2	159.9	-69.1	166.4	0	0	0	106	Q35 C39	Q35-I37 VanDerWaalsContact C-N 3.27Å; Q35-I37 HydrophobicContact CB-CD1 4.05Å; Q35-I37 HydrophobicContact CB-CG1 4.05Å; Q35-I37 VanDerWaalsContact CD-CD1 3.5Å; Q35-I37 HydrophobicContact CG-CD1 4.22Å; Q35-I37 PolarHBondContact O-N 3.31Å; Q35-I37 VanDerWaalsContact O-N 3.14Å; I37-C39 HydrophobicContact CG2-CB 4.21Å; I37-C39 WeakPolarHBondContact CG2-SG 3.42Å; I37-C39 PolarHBondContact O-N 2.6Å
38	R	27.1	Very low	34.5	Very low	224 Å²	224	130.1 Å²	130.1	85%	0.845	72%	0.724	S	S	*	*			trans	-79.6	95	154.2	-89.7	-175.8	175.1	178.3	-0.6	106.8	Y40	R38-Y40 PolarHBondContact O-N 2.57Å
39	C	26.1	Very low	36	Very low	98 Å²	98	127 Å²	127	66%	0.662	70%	0.699	S	S	*	*			trans	-74.6	101.7	161.8	-86.3	0	0	0	0	108.2	I37	I37-C39 HydrophobicContact CG2-CB 4.21Å; I37-C39 WeakPolarHBondContact CG2-SG 3.42Å; I37-C39 PolarHBondContact O-N 2.6Å
40	Y	29.5	Very low	37.8	Very low	205 Å²	205	125.9 Å²	125.9	80%	0.804	68%	0.677	S	S	*	*			trans	-94.6	80.7	147.3	-77.4	-76.1	0	0	0	107.2	R38 A42	R38-Y40 PolarHBondContact O-N 2.57Å; Y40-A42 PolarHBondContact O-N 2.69Å
41	S	33.3	Very low	39.5	Very low	113 Å²	113	123.3 Å²	123.3	79%	0.79	65%	0.653	S	S	*	*			trans	-82.8	88.5	163.3	48.4	0	0	0	0	108.1
42	A	35.5	Very low	41	Very low	74 Å²	74	119.5 Å²	119.5	61%	0.612	65%	0.653	S	S	*	*			trans	-116.2	122.4	153.6	0	0	0	0	0	106.4	Y40 V44	Y40-A42 PolarHBondContact O-N 2.69Å; A42-V44 PolarHBondContact O-N 3.24Å; A42-V44 VanDerWaalsContact O-N 3.08Å
43	P	39	Very low	42.8	Very low	136 Å²	136	114.6 Å²	114.6	88%	0.883	65%	0.649	S	S	*	*			trans	-72.7	103.5	172.8	29	-28.6	0	0	0	107.7
44	V	38	Very low	44.9	Very low	133 Å²	133	111.3 Å²	111.3	81%	0.806	63%	0.63	S	S	*	*			trans	-95.4	113.3	161.5	-178.4	0	0	0	0	106.8	A42	A42-V44 PolarHBondContact O-N 3.24Å; A42-V44 VanDerWaalsContact O-N 3.08Å
45	A	46.1	Very low	47.1	Very low	54 Å²	54	103.9 Å²	103.9	45%	0.446	61%	0.605	S	S	.	*			trans	-65.2	170.6	-174.5	0	0	0	0	0	112.9	E47	A45-E47 PolarHBondContact O-N 2.68Å
46	A	53.8	Low	49.6	Very low	70 Å²	70	102.8 Å²	102.8	58%	0.579	60%	0.604	S	S	*	*	S	Bend	trans	-41	19.5	-167.8	0	0	0	0	0	122	G90	A46-G90 WeakPolarHBondContact CB-O 3.33Å
47	E	61.8	Low	52.1	Low	12 Å²	12	99 Å²	99	6%	0.056	58%	0.582	C	S	.	*			trans	-134.1	69.2	-171	-69.5	164.8	178.6	0	0	111.5	A45 F49 L50 F79 G90 A92 Y93	A45-E47 PolarHBondContact O-N 2.68Å; E47-F49 HydrophobicContact CB-CE1 3.92Å; E47-F49 HydrophobicContact CB-CZ 4.06Å; E47-F49 HydrophobicContact CG-CE1 4.05Å; E47-F49 HydrophobicContact CG-CZ 4.08Å; E47-F49 PolarHBondContact O-N 3.2Å; E47-L50 HydrophobicContact CB-CD1 3.77Å; E47-L50 HydrophobicContact CB-CG 4.23Å; E47-L50 HydrophobicContact CG-CD1 4.46Å; E47-L50 PolarHBondContact O-N 2.82Å; E47-L50 VanDerWaalsContact O-N 3.12Å; E47-L50 VanDerWaalsContact OE2-CD1 3.27Å; E47-L50 WeakPolarHBondContact OE2-CD1 3.39Å; E47-F79 VanDerWaalsContact CD-CE2 3.5Å; E47-F79 HydrophobicContact CG-CE2 4.29Å; E47-F79 WeakPolarHBondContact OE1-CE2 3.4Å; E47-G90 VanDerWaalsContact CD-CA 3.49Å; E47-G90 PolarHBondContact OE2-N 3.03Å; E47-G90 VanDerWaalsContact OE2-N 3.09Å; E47-A92 PolarHBondContact OE1-N 3.41Å; E47-A92 VanDerWaalsContact OE1-N 3.09Å; E47-Y93 PolarHBondContact OE1-N 3.34Å
48	P	58.4	Low	54.8	Low	120 Å²	120	95.3 Å²	95.3	78%	0.779	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.5	-11.4	-173.2	26.1	-34.5	0	0	0	114.6
49	F	65.5	Low	57.6	Low	53 Å²	53	90.6 Å²	90.6	23%	0.232	55%	0.551	C	S	.	*	T	Hydrogen-bonded Turn	trans	-81.6	-11.2	176.6	60.9	-93.4	0	0	0	113.5	E47 S51 S54 W76 F79 Y93	E47-F49 HydrophobicContact CB-CE1 3.92Å; E47-F49 HydrophobicContact CB-CZ 4.06Å; E47-F49 HydrophobicContact CG-CE1 4.05Å; E47-F49 HydrophobicContact CG-CZ 4.08Å; E47-F49 PolarHBondContact O-N 3.2Å; F49-S51 PolarHBondContact O-N 2.73Å; F49-S51 VanDerWaalsContact O-N 3.12Å; F49-S54 VanDerWaalsContact O-CB 3.28Å; F49-S54 WeakPolarHBondContact O-CB 3.49Å; F49-W76 AromaticContact CD2-CH2 3.38Å; F49-W76 HydrophobicContact CD2-CH2 3.38Å; F49-W76 HydrophobicContact CD2-CZ2 4.29Å; F49-W76 AromaticContact CD2-CZ3 3.96Å; F49-W76 HydrophobicContact CD2-CZ3 3.96Å; F49-W76 AromaticContact CE2-CH2 3.45Å; F49-W76 HydrophobicContact CE2-CH2 3.45Å; F49-W76 VanDerWaalsContact CE2-CH2 3.45Å; F49-W76 HydrophobicContact CE2-CZ2 4.49Å; F49-W76 AromaticContact CE2-CZ3 3.52Å; F49-W76 HydrophobicContact CE2-CZ3 3.52Å; F49-W76 HydrophobicContact CG-CH2 4.26Å; F49-W76 HydrophobicContact CZ-CH2 4.38Å; F49-W76 HydrophobicContact CZ-CZ3 4.34Å; F49-F79 HydrophobicContact CE2-CE1 4.22Å; F49-F79 HydrophobicContact CE2-CE2 4.17Å; F49-F79 HydrophobicContact CE2-CZ 4.02Å; F49-F79 AromaticContact CZ-CD2 3.93Å; F49-F79 HydrophobicContact CZ-CD2 3.93Å; F49-F79 AromaticContact CZ-CE2 3.82Å; F49-F79 HydrophobicContact CZ-CE2 3.82Å; F49-F79 HydrophobicContact CZ-CG 4.37Å; F49-F79 HydrophobicContact CZ-CZ 4.16Å; F49-Y93 HydrophobicContact CE1-CD2 4.05Å; F49-Y93 HydrophobicContact CE1-CG 4.41Å; F49-Y93 HydrophobicContact CZ-CD2 4.31Å
50	L	62.5	Low	60.5	Low	85 Å²	85	91.8 Å²	91.8	45%	0.445	55%	0.547	S	S	.	.			trans	-86.8	50.3	175.8	-64.5	173.5	0	0	0	111.6	E47 V58 F79	E47-L50 HydrophobicContact CB-CD1 3.77Å; E47-L50 HydrophobicContact CB-CG 4.23Å; E47-L50 HydrophobicContact CG-CD1 4.46Å; E47-L50 PolarHBondContact O-N 2.82Å; E47-L50 VanDerWaalsContact O-N 3.12Å; E47-L50 VanDerWaalsContact OE2-CD1 3.27Å; E47-L50 WeakPolarHBondContact OE2-CD1 3.39Å; L50-V58 HydrophobicContact CD2-CG1 4.11Å; L50-V58 HydrophobicContact CD2-CG2 4.26Å; L50-F79 HydrophobicContact CD1-CE2 4.18Å; L50-F79 HydrophobicContact CD1-CZ 3.83Å; L50-F79 HydrophobicContact CD2-CZ 4.06Å; L50-F79 HydrophobicContact CG-CZ 4.37Å
51	S	64	Low	63.3	Low	48 Å²	48	84 Å²	84	34%	0.336	52%	0.519	S	S	.	.	S	Bend	trans	-94.9	154.3	174.2	74.7	0	0	0	0	111	F49 T53 S54	F49-S51 PolarHBondContact O-N 2.73Å; F49-S51 VanDerWaalsContact O-N 3.12Å; S51-T53 PolarHBondContact O-N 2.96Å; S51-T53 PolarHBondContact OG-OG1 3.39Å; S51-S54 PolarHBondContact O-N 2.94Å; S51-S54 PolarHBondContact OG-OG 3.13Å
52	G	58.3	Low	65.9	Low	76 Å²	76	82 Å²	82	78%	0.784	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-15.3	-179	0	0	0	0	0	115
53	T	64.3	Low	68.5	Low	134 Å²	134	81.6 Å²	81.6	82%	0.822	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-8.9	174.3	41.3	0	0	0	0	114.1	S51	S51-T53 PolarHBondContact O-N 2.96Å; S51-T53 PolarHBondContact OG-OG1 3.39Å
54	S	72.8	Confident	70.9	Confident	39 Å²	39	76.6 Å²	76.6	27%	0.273	46%	0.456	S	S	.	.	S	Bend	trans	-114.3	5.4	-175.7	-54.1	0	0	0	0	113.4	F49 S51 N56 Y57 V58	F49-S54 VanDerWaalsContact O-CB 3.28Å; F49-S54 WeakPolarHBondContact O-CB 3.49Å; S51-S54 PolarHBondContact O-N 2.94Å; S51-S54 PolarHBondContact OG-OG 3.13Å; S54-N56 PolarHBondContact O-N 3.48Å; S54-Y57 PolarHBondContact O-N 3.34Å; S54-V58 WeakPolarHBondContact O-CG2 3.21Å; S54-V58 PolarHBondContact O-N 3.42Å; S54-V58 VanDerWaalsContact O-N 3.16Å
55	S	74.3	Confident	73.5	Confident	62 Å²	62	71.3 Å²	71.3	43%	0.434	42%	0.422	S	S	.	.	H	α-helix	trans	-57.7	-45.9	-172.8	57.4	0	0	0	0	113.3	Y57 V58 E59	S55-Y57 VanDerWaalsContact C-N 3.32Å; S55-Y57 PolarHBondContact O-N 3.1Å; S55-V58 PolarHBondContact O-N 2.94Å; S55-E59 WeakPolarHBondContact O-CB 3.42Å; S55-E59 PolarHBondContact O-N 3.48Å
56	N	77.4	Confident	75.6	Confident	116 Å²	116	73.7 Å²	73.7	62%	0.62	43%	0.426	S	S	*	.	H	α-helix	trans	-62.4	-39.8	-178.8	-70.7	6.9	0	0	0	111.9	S54 E59 E60	S54-N56 PolarHBondContact O-N 3.48Å; N56-E59 PolarHBondContact O-N 3.24Å; N56-E60 WeakPolarHBondContact O-CB 3.15Å; N56-E60 WeakPolarHBondContact O-CG 3.36Å; N56-E60 PolarHBondContact O-N 3.34Å
57	Y	79.4	Confident	77.3	Confident	127 Å²	127	78.7 Å²	78.7	50%	0.498	44%	0.438	S	S	.	.	H	α-helix	trans	-68.4	-41.1	179.5	-178.8	-104.3	0	0	0	112	S54 S55 E59 M61 W76	S54-Y57 PolarHBondContact O-N 3.34Å; S55-Y57 VanDerWaalsContact C-N 3.32Å; S55-Y57 PolarHBondContact O-N 3.1Å; Y57-E59 VanDerWaalsContact C-N 3.35Å; Y57-M61 HydrophobicContact CD1-CG 4.39Å; Y57-M61 HydrophobicContact CE1-CG 4.04Å; Y57-M61 HydrophobicContact CE2-CE 4.31Å; Y57-M61 HydrophobicContact CE2-CG 4.36Å; Y57-M61 WeakPolarHBondContact O-CB 3.45Å; Y57-M61 VanDerWaalsContact O-CG 3.26Å; Y57-M61 WeakPolarHBondContact O-CG 3.32Å; Y57-M61 PolarHBondContact O-N 3.44Å; Y57-W76 HydrophobicContact CD1-CZ2 4.5Å; Y57-W76 AromaticContact CE1-CZ2 3.99Å; Y57-W76 HydrophobicContact CE1-CZ2 3.99Å
58	V	83.7	Confident	78.5	Confident	22 Å²	22	82.1 Å²	82.1	13%	0.133	46%	0.456	C	S	.	.	H	α-helix	trans	-67.4	-38	177.2	179.3	0	0	0	0	111	L50 S54 S55 M61 Y62 W76 F80	L50-V58 HydrophobicContact CD2-CG1 4.11Å; L50-V58 HydrophobicContact CD2-CG2 4.26Å; S54-V58 WeakPolarHBondContact O-CG2 3.21Å; S54-V58 PolarHBondContact O-N 3.42Å; S54-V58 VanDerWaalsContact O-N 3.16Å; S55-V58 PolarHBondContact O-N 2.94Å; V58-M61 PolarHBondContact O-N 2.93Å; V58-Y62 WeakPolarHBondContact O-CB 3.47Å; V58-Y62 PolarHBondContact O-N 3.04Å; V58-W76 HydrophobicContact CG1-CZ3 4.26Å; V58-W76 HydrophobicContact CG2-CH2 3.95Å; V58-W76 HydrophobicContact CG2-CZ3 4.35Å; V58-F80 HydrophobicContact CG1-CE1 4.21Å; V58-F80 HydrophobicContact CG1-CZ 4.4Å
59	E	85.1	Confident	79.8	Confident	125 Å²	125	78.5 Å²	78.5	58%	0.584	43%	0.433	S	S	*	.	H	α-helix	trans	-66.8	-43.4	177	-168.6	165.1	-159	0	0	111.8	S55 N56 Y57 Y62 C63	S55-E59 WeakPolarHBondContact O-CB 3.42Å; S55-E59 PolarHBondContact O-N 3.48Å; N56-E59 PolarHBondContact O-N 3.24Å; Y57-E59 VanDerWaalsContact C-N 3.35Å; E59-Y62 PolarHBondContact O-N 3.27Å; E59-C63 WeakPolarHBondContact O-CB 3.19Å; E59-C63 PolarHBondContact O-N 3.4Å; E59-C63 PolarHBondContact O-SG 3.22Å; E59-C63 VanDerWaalsContact O-SG 3.33Å
60	E	87.1	Confident	80.9	Confident	124 Å²	124	84.9 Å²	84.9	58%	0.579	46%	0.461	S	S	*	.	H	α-helix	trans	-60.8	-44.5	172.6	-77.7	177.5	-177.2	0	0	112.3	N56 Y62 C63 A64	N56-E60 WeakPolarHBondContact O-CB 3.15Å; N56-E60 WeakPolarHBondContact O-CG 3.36Å; N56-E60 PolarHBondContact O-N 3.34Å; E60-Y62 VanDerWaalsContact C-N 3.32Å; E60-Y62 PolarHBondContact O-N 3.48Å; E60-C63 PolarHBondContact O-N 3.14Å; E60-A64 WeakPolarHBondContact O-CB 3.4Å; E60-A64 PolarHBondContact O-N 2.98Å
61	M	89.6	Confident	82.1	Confident	41 Å²	41	84.1 Å²	84.1	20%	0.202	46%	0.463	C	S	.	.	H	α-helix	trans	-64.1	-36.5	175.8	-70.1	-62.3	99.8	0	0	112	Y57 V58 W65 V72 F80	Y57-M61 HydrophobicContact CD1-CG 4.39Å; Y57-M61 HydrophobicContact CE1-CG 4.04Å; Y57-M61 HydrophobicContact CE2-CE 4.31Å; Y57-M61 HydrophobicContact CE2-CG 4.36Å; Y57-M61 WeakPolarHBondContact O-CB 3.45Å; Y57-M61 VanDerWaalsContact O-CG 3.26Å; Y57-M61 WeakPolarHBondContact O-CG 3.32Å; Y57-M61 PolarHBondContact O-N 3.44Å; V58-M61 PolarHBondContact O-N 2.93Å; M61-W65 VanDerWaalsContact O-CB 3.24Å; M61-W65 WeakPolarHBondContact O-CB 3.3Å; M61-W65 PolarHBondContact O-N 3.35Å; M61-V72 HydrophobicContact CB-CG1 4.45Å; M61-V72 WeakPolarHBondContact O-CG1 3.47Å; M61-V72 HydrophobicContact SD-CG1 3.96Å; M61-F80 HydrophobicContact CB-CE2 3.94Å; M61-F80 HydrophobicContact CB-CZ 3.92Å; M61-F80 WeakPolarHBondContact O-CE2 3.23Å
62	Y	87.3	Confident	83.2	Confident	72 Å²	72	82.5 Å²	82.5	28%	0.282	45%	0.45	S	S	.	.	H	α-helix	trans	-70	-42.4	177.2	-174.7	-118	0	0	0	112	V58 E59 E60 W65 L66 F80 N84	V58-Y62 WeakPolarHBondContact O-CB 3.47Å; V58-Y62 PolarHBondContact O-N 3.04Å; E59-Y62 PolarHBondContact O-N 3.27Å; E60-Y62 VanDerWaalsContact C-N 3.32Å; E60-Y62 PolarHBondContact O-N 3.48Å; Y62-W65 AromaticContact CD2-CE3 3.92Å; Y62-W65 HydrophobicContact CD2-CE3 3.92Å; Y62-W65 HydrophobicContact CD2-CZ3 4.42Å; Y62-W65 AromaticContact CE2-CE3 3.69Å; Y62-W65 HydrophobicContact CE2-CE3 3.69Å; Y62-W65 AromaticContact CE2-CZ3 3.75Å; Y62-W65 HydrophobicContact CE2-CZ3 3.75Å; Y62-W65 PolarHBondContact O-N 3.33Å; Y62-L66 HydrophobicContact CD1-CD1 4.01Å; Y62-L66 HydrophobicContact CD1-CG 4.47Å; Y62-L66 HydrophobicContact CE1-CD1 3.58Å; Y62-L66 HydrophobicContact CE1-CG 4.1Å; Y62-L66 HydrophobicContact CE2-CD2 4.43Å; Y62-L66 HydrophobicContact CE2-CG 4.31Å; Y62-L66 WeakPolarHBondContact O-CG 3.4Å; Y62-L66 PolarHBondContact O-N 3.08Å; Y62-F80 HydrophobicContact CD2-CB 4.13Å; Y62-F80 AromaticContact CD2-CD1 3.42Å; Y62-F80 HydrophobicContact CD2-CD1 3.42Å; Y62-F80 VanDerWaalsContact CD2-CD1 3.42Å; Y62-F80 HydrophobicContact CD2-CD2 4.23Å; Y62-F80 AromaticContact CD2-CE1 3.77Å; Y62-F80 HydrophobicContact CD2-CE1 3.77Å; Y62-F80 AromaticContact CD2-CG 3.69Å; Y62-F80 HydrophobicContact CD2-CG 3.69Å; Y62-F80 HydrophobicContact CD2-CZ 4.3Å; Y62-F80 HydrophobicContact CE2-CB 4.3Å; Y62-F80 HydrophobicContact CE2-CD1 4.16Å; Y62-F80 HydrophobicContact CE2-CG 4.33Å; Y62-F80 HydrophobicContact CG-CD1 4.27Å; Y62-F80 HydrophobicContact CG-CE1 4.16Å; Y62-N84 PolarHBondContact OH-ND2 3.43Å; Y62-N84 VanDerWaalsContact OH-ND2 3.11Å; Y62-N84 PolarHBondContact OH-OD1 3.02Å; Y62-N84 VanDerWaalsContact OH-OD1 3.1Å
63	C	90.7	Very high	84.4	Confident	65 Å²	65	84.8 Å²	84.8	44%	0.439	44%	0.441	S	S	.	.	H	α-helix	trans	-60.4	-47.2	174.1	-72.8	0	0	0	0	111.5	E59 E60 W65 L66 E67	E59-C63 WeakPolarHBondContact O-CB 3.19Å; E59-C63 PolarHBondContact O-N 3.4Å; E59-C63 PolarHBondContact O-SG 3.22Å; E59-C63 VanDerWaalsContact O-SG 3.33Å; E60-C63 PolarHBondContact O-N 3.14Å; C63-W65 VanDerWaalsContact C-N 3.28Å; C63-W65 PolarHBondContact O-N 3.46Å; C63-L66 PolarHBondContact O-N 2.95Å; C63-E67 PolarHBondContact O-N 3.47Å
64	A	87.9	Confident	85.2	Confident	30 Å²	30	85 Å²	85	25%	0.248	43%	0.43	C	S	.	.	H	α-helix	trans	-61.7	-36.2	176	0	0	0	0	0	112.5	E60 N68 S71 V72	E60-A64 WeakPolarHBondContact O-CB 3.4Å; E60-A64 PolarHBondContact O-N 2.98Å; A64-N68 PolarHBondContact O-N 3.18Å; A64-S71 VanDerWaalsContact C-OG 3.28Å; A64-S71 PolarHBondContact O-OG 2.89Å; A64-V72 HydrophobicContact CB-CG1 4.04Å
65	W	92.7	Very high	85.6	Confident	22 Å²	22	83.9 Å²	83.9	8%	0.083	42%	0.422	C	S	.	.	H	α-helix	trans	-70.4	-37.8	176.3	178.6	83.9	0	0	0	112.9	M61 Y62 C63 E67 N68 P69 V72 D77 F80 R81 N84	M61-W65 VanDerWaalsContact O-CB 3.24Å; M61-W65 WeakPolarHBondContact O-CB 3.3Å; M61-W65 PolarHBondContact O-N 3.35Å; Y62-W65 AromaticContact CD2-CE3 3.92Å; Y62-W65 HydrophobicContact CD2-CE3 3.92Å; Y62-W65 HydrophobicContact CD2-CZ3 4.42Å; Y62-W65 AromaticContact CE2-CE3 3.69Å; Y62-W65 HydrophobicContact CE2-CE3 3.69Å; Y62-W65 AromaticContact CE2-CZ3 3.75Å; Y62-W65 HydrophobicContact CE2-CZ3 3.75Å; Y62-W65 PolarHBondContact O-N 3.33Å; C63-W65 VanDerWaalsContact C-N 3.28Å; C63-W65 PolarHBondContact O-N 3.46Å; W65-E67 VanDerWaalsContact C-N 3.33Å; W65-E67 PolarHBondContact O-N 3.1Å; W65-N68 CarbonylContact O-C 3.23Å; W65-N68 VanDerWaalsContact O-C 3.23Å; W65-N68 PolarHBondContact O-N 2.98Å; W65-P69 VanDerWaalsContact CD1-CA 3.47Å; W65-P69 WeakPolarHBondContact O-CD 3.32Å; W65-P69 VanDerWaalsContact O-N 3.13Å; W65-V72 HydrophobicContact CB-CG1 4.26Å; W65-V72 HydrophobicContact CB-CG2 3.92Å; W65-V72 HydrophobicContact CG-CG2 4.13Å; W65-D77 PolarHBondContact NE1-OD1 3.32Å; W65-F80 HydrophobicContact CB-CD2 3.71Å; W65-F80 HydrophobicContact CB-CE2 4.13Å; W65-F80 HydrophobicContact CD2-CB 3.57Å; W65-F80 HydrophobicContact CD2-CD2 4.01Å; W65-F80 HydrophobicContact CD2-CG 4.17Å; W65-F80 HydrophobicContact CE3-CB 3.7Å; W65-F80 HydrophobicContact CE3-CD2 4.47Å; W65-F80 HydrophobicContact CE3-CG 4.31Å; W65-F80 HydrophobicContact CG-CB 4.1Å; W65-F80 AromaticContact CG-CD2 3.64Å; W65-F80 HydrophobicContact CG-CD2 3.64Å; W65-F80 HydrophobicContact CG-CG 4.28Å; W65-F80 HydrophobicContact CH2-CB 4.19Å; W65-F80 HydrophobicContact CZ2-CB 4.1Å; W65-F80 HydrophobicContact CZ3-CB 4Å; W65-R81 HydrophobicContact CH2-CG 4.38Å; W65-R81 HydrophobicContact CZ2-CB 4.48Å; W65-R81 HydrophobicContact CZ2-CG 3.56Å; W65-N84 WeakPolarHBondContact CZ3-ND2 3.45Å
66	L	90.3	Very high	86.1	Confident	104 Å²	104	82.5 Å²	82.5	55%	0.545	41%	0.408	S	S	.	.	H	α-helix	trans	-63.5	-36.9	174.9	-78	175.3	0	0	0	112.4	Y62 C63	Y62-L66 HydrophobicContact CD1-CD1 4.01Å; Y62-L66 HydrophobicContact CD1-CG 4.47Å; Y62-L66 HydrophobicContact CE1-CD1 3.58Å; Y62-L66 HydrophobicContact CE1-CG 4.1Å; Y62-L66 HydrophobicContact CE2-CD2 4.43Å; Y62-L66 HydrophobicContact CE2-CG 4.31Å; Y62-L66 WeakPolarHBondContact O-CG 3.4Å; Y62-L66 PolarHBondContact O-N 3.08Å; C63-L66 PolarHBondContact O-N 2.95Å
67	E	89.6	Confident	86.6	Confident	176 Å²	176	78.1 Å²	78.1	82%	0.822	38%	0.384	S	S	*	.	H	α-helix	trans	-71.7	-44.9	175	-69.3	-177.1	174	0	0	112	C63 W65	C63-E67 PolarHBondContact O-N 3.47Å; W65-E67 VanDerWaalsContact C-N 3.33Å; W65-E67 PolarHBondContact O-N 3.1Å
68	N	87.8	Confident	86.7	Confident	83 Å²	83	73.8 Å²	73.8	44%	0.444	37%	0.369	S	S	.	.			trans	-154.6	112.4	175.4	179.1	-1.1	0	0	0	111.2	A64 W65 K70 S71	A64-N68 PolarHBondContact O-N 3.18Å; W65-N68 CarbonylContact O-C 3.23Å; W65-N68 VanDerWaalsContact O-C 3.23Å; W65-N68 PolarHBondContact O-N 2.98Å; N68-K70 PolarHBondContact O-N 3.31Å; N68-K70 PolarHBondContact OD1-N 2.88Å; N68-S71 VanDerWaalsContact O-CB 3.29Å; N68-S71 WeakPolarHBondContact O-CB 3.33Å; N68-S71 PolarHBondContact O-N 2.73Å; N68-S71 PolarHBondContact O-OG 3.31Å
69	P	86	Confident	86.8	Confident	45 Å²	45	73.2 Å²	73.2	29%	0.292	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-18.8	-178.8	-31.2	37.8	0	0	0	116.1	W65	W65-P69 VanDerWaalsContact CD1-CA 3.47Å; W65-P69 WeakPolarHBondContact O-CD 3.32Å; W65-P69 VanDerWaalsContact O-N 3.13Å
70	K	87.5	Confident	87	Confident	187 Å²	187	67.6 Å²	67.6	81%	0.813	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-7.2	177.2	-62.7	-177.4	179.9	177.7	0	114.1	N68 V72	N68-K70 PolarHBondContact O-N 3.31Å; N68-K70 PolarHBondContact OD1-N 2.88Å; K70-V72 VanDerWaalsContact C-N 3.27Å
71	S	87.9	Confident	86.9	Confident	69 Å²	69	68.1 Å²	68.1	48%	0.483	34%	0.335	S	S	.	.	S	Bend	trans	-74.1	-21.5	-179.8	70.4	0	0	0	0	112.6	A64 N68	A64-S71 VanDerWaalsContact C-OG 3.28Å; A64-S71 PolarHBondContact O-OG 2.89Å; N68-S71 VanDerWaalsContact O-CB 3.29Å; N68-S71 WeakPolarHBondContact O-CB 3.33Å; N68-S71 PolarHBondContact O-N 2.73Å; N68-S71 PolarHBondContact O-OG 3.31Å
72	V	87.1	Confident	86.5	Confident	13 Å²	13	68.3 Å²	68.3	8%	0.079	34%	0.337	C	S	.	.	S	Bend	trans	-106.6	159.3	178.1	-60.2	0	0	0	0	111.2	M61 A64 W65 K70 W76	M61-V72 HydrophobicContact CB-CG1 4.45Å; M61-V72 WeakPolarHBondContact O-CG1 3.47Å; M61-V72 HydrophobicContact SD-CG1 3.96Å; A64-V72 HydrophobicContact CB-CG1 4.04Å; W65-V72 HydrophobicContact CB-CG1 4.26Å; W65-V72 HydrophobicContact CB-CG2 3.92Å; W65-V72 HydrophobicContact CG-CG2 4.13Å; K70-V72 VanDerWaalsContact C-N 3.27Å; V72-W76 HydrophobicContact CB-CB 3.97Å; V72-W76 HydrophobicContact CG2-CB 3.8Å
73	H	84.2	Confident	86.2	Confident	125 Å²	125	67.7 Å²	67.7	58%	0.579	34%	0.341	S	S	*	.			trans	-58.9	148.4	177	-172.9	-100.4	0	0	0	111.4	S75 W76 D77	H73-S75 PolarHBondContact ND1-N 3.09Å; H73-S75 PolarHBondContact ND1-OG 3.28Å; H73-S75 PolarHBondContact O-N 3.24Å; H73-W76 WeakPolarHBondContact O-CA 3.39Å; H73-W76 WeakPolarHBondContact O-CB 3.14Å; H73-W76 PolarHBondContact O-N 3.35Å; H73-D77 PolarHBondContact O-N 3.36Å; H73-D77 VanDerWaalsContact O-N 3.13Å
74	K	80.8	Confident	85.7	Confident	137 Å²	137	69 Å²	69	60%	0.596	34%	0.343	S	S	*	.	H	α-helix	trans	-57.1	-29.1	-173.1	-166.5	171.5	-177	179.9	0	114	D77 I78	K74-D77 PolarHBondContact O-N 2.83Å; K74-I78 HydrophobicContact CG-CD1 4.16Å; K74-I78 WeakPolarHBondContact O-CD1 3.26Å; K74-I78 VanDerWaalsContact O-CG1 3.26Å; K74-I78 WeakPolarHBondContact O-CG1 3.29Å; K74-I78 PolarHBondContact O-N 3Å
75	S	80.6	Confident	85.3	Confident	16 Å²	16	71.7 Å²	71.7	11%	0.112	37%	0.366	C	S	.	.	H	α-helix	trans	-66	-36.1	173.5	57.2	0	0	0	0	112.7	H73 F79	H73-S75 PolarHBondContact ND1-N 3.09Å; H73-S75 PolarHBondContact ND1-OG 3.28Å; H73-S75 PolarHBondContact O-N 3.24Å; S75-F79 WeakPolarHBondContact O-CB 3.38Å; S75-F79 PolarHBondContact O-N 2.89Å
76	W	86.3	Confident	84.4	Confident	34 Å²	34	73.6 Å²	73.6	13%	0.129	39%	0.393	C	S	.	.	H	α-helix	trans	-72.8	-39.1	174.1	-72.4	115.7	0	0	0	111.6	F49 Y57 V58 V72 H73 I78 F79 F80	F49-W76 AromaticContact CD2-CH2 3.38Å; F49-W76 HydrophobicContact CD2-CH2 3.38Å; F49-W76 HydrophobicContact CD2-CZ2 4.29Å; F49-W76 AromaticContact CD2-CZ3 3.96Å; F49-W76 HydrophobicContact CD2-CZ3 3.96Å; F49-W76 AromaticContact CE2-CH2 3.45Å; F49-W76 HydrophobicContact CE2-CH2 3.45Å; F49-W76 VanDerWaalsContact CE2-CH2 3.45Å; F49-W76 HydrophobicContact CE2-CZ2 4.49Å; F49-W76 AromaticContact CE2-CZ3 3.52Å; F49-W76 HydrophobicContact CE2-CZ3 3.52Å; F49-W76 HydrophobicContact CG-CH2 4.26Å; F49-W76 HydrophobicContact CZ-CH2 4.38Å; F49-W76 HydrophobicContact CZ-CZ3 4.34Å; Y57-W76 HydrophobicContact CD1-CZ2 4.5Å; Y57-W76 AromaticContact CE1-CZ2 3.99Å; Y57-W76 HydrophobicContact CE1-CZ2 3.99Å; V58-W76 HydrophobicContact CG1-CZ3 4.26Å; V58-W76 HydrophobicContact CG2-CH2 3.95Å; V58-W76 HydrophobicContact CG2-CZ3 4.35Å; V72-W76 HydrophobicContact CB-CB 3.97Å; V72-W76 HydrophobicContact CG2-CB 3.8Å; H73-W76 WeakPolarHBondContact O-CA 3.39Å; H73-W76 WeakPolarHBondContact O-CB 3.14Å; H73-W76 PolarHBondContact O-N 3.35Å; W76-I78 PolarHBondContact O-N 3.1Å; W76-F79 AromaticContact CE3-CD1 3.81Å; W76-F79 HydrophobicContact CE3-CD1 3.81Å; W76-F79 HydrophobicContact CE3-CE1 4.43Å; W76-F79 HydrophobicContact CE3-CG 4.48Å; W76-F79 AromaticContact CZ3-CD1 3.89Å; W76-F79 HydrophobicContact CZ3-CD1 3.89Å; W76-F79 HydrophobicContact CZ3-CE1 4.09Å; W76-F79 PolarHBondContact O-N 3.5Å; W76-F80 HydrophobicContact CB-CD2 4.22Å; W76-F80 HydrophobicContact CB-CE2 3.96Å; W76-F80 HydrophobicContact CD2-CE2 4.34Å; W76-F80 HydrophobicContact CD2-CZ 4.43Å; W76-F80 HydrophobicContact CE3-CE1 4.15Å; W76-F80 AromaticContact CE3-CE2 3.76Å; W76-F80 HydrophobicContact CE3-CE2 3.76Å; W76-F80 AromaticContact CE3-CZ 3.52Å; W76-F80 HydrophobicContact CE3-CZ 3.52Å; W76-F80 HydrophobicContact CG-CE2 4.46Å; W76-F80 HydrophobicContact CZ3-CE1 4.36Å; W76-F80 AromaticContact CZ3-CZ 3.96Å; W76-F80 HydrophobicContact CZ3-CZ 3.96Å; W76-F80 WeakPolarHBondContact O-CB 3.45Å; W76-F80 WeakPolarHBondContact O-CD2 3.45Å; W76-F80 WeakPolarHBondContact O-CG 3.44Å; W76-F80 PolarHBondContact O-N 3.5Å
77	D	86.6	Confident	83.6	Confident	24 Å²	24	70.2 Å²	70.2	13%	0.128	38%	0.379	C	S	.	.	H	α-helix	trans	-58.9	-47.5	173.6	178.7	39.1	0	0	0	111.7	W65 H73 K74 R81	W65-D77 PolarHBondContact NE1-OD1 3.32Å; H73-D77 PolarHBondContact O-N 3.36Å; H73-D77 VanDerWaalsContact O-N 3.13Å; K74-D77 PolarHBondContact O-N 2.83Å; D77-R81 WeakPolarHBondContact O-CB 3.24Å; D77-R81 VanDerWaalsContact O-CG 3.26Å; D77-R81 WeakPolarHBondContact O-CG 3.32Å; D77-R81 PolarHBondContact O-N 3.15Å; D77-R81 IonicContact OD1-CZ 3.24Å; D77-R81 IonicContact OD1-NE 3.01Å; D77-R81 PolarHBondContact OD1-NE 3.33Å; D77-R81 IonicContact OD1-NH2 3.37Å; D77-R81 PolarHBondContact OD1-NH2 3.3Å; D77-R81 VanDerWaalsContact OD1-NH2 3.13Å; D77-R81 IonicContact OD2-CZ 2.8Å; D77-R81 IonicContact OD2-NE 3.65Å; D77-R81 PolarHBondContact OD2-NE 3.12Å; D77-R81 IonicContact OD2-NH2 3.87Å; D77-R81 PolarHBondContact OD2-NH2 3.33Å
78	I	82.2	Confident	82.5	Confident	36 Å²	36	65.8 Å²	65.8	19%	0.185	37%	0.366	C	S	.	.	H	α-helix	trans	-64.3	-45.2	177.3	-66.7	165.7	0	0	0	110.8	K74 W76 R81 N82 Q94 P96	K74-I78 HydrophobicContact CG-CD1 4.16Å; K74-I78 WeakPolarHBondContact O-CD1 3.26Å; K74-I78 VanDerWaalsContact O-CG1 3.26Å; K74-I78 WeakPolarHBondContact O-CG1 3.29Å; K74-I78 PolarHBondContact O-N 3Å; W76-I78 PolarHBondContact O-N 3.1Å; I78-R81 PolarHBondContact O-N 3.24Å; I78-N82 WeakPolarHBondContact CG2-ND2 3.31Å; I78-N82 WeakPolarHBondContact O-CB 3.47Å; I78-N82 PolarHBondContact O-N 3.45Å; I78-N82 PolarHBondContact O-ND2 3.41Å; I78-Q94 HydrophobicContact CG2-CB 3.96Å; I78-P96 HydrophobicContact CD1-CB 4.5Å; I78-P96 HydrophobicContact CD1-CG 4.46Å
79	F	84.8	Confident	81.2	Confident	10 Å²	10	67.5 Å²	67.5	4%	0.044	38%	0.382	C	S	.	.	H	α-helix	trans	-59.1	-49.7	178.5	174	-99.6	0	0	0	112.3	E47 F49 L50 S75 W76 N82 T83 A92	E47-F79 VanDerWaalsContact CD-CE2 3.5Å; E47-F79 HydrophobicContact CG-CE2 4.29Å; E47-F79 WeakPolarHBondContact OE1-CE2 3.4Å; F49-F79 HydrophobicContact CE2-CE1 4.22Å; F49-F79 HydrophobicContact CE2-CE2 4.17Å; F49-F79 HydrophobicContact CE2-CZ 4.02Å; F49-F79 AromaticContact CZ-CD2 3.93Å; F49-F79 HydrophobicContact CZ-CD2 3.93Å; F49-F79 AromaticContact CZ-CE2 3.82Å; F49-F79 HydrophobicContact CZ-CE2 3.82Å; F49-F79 HydrophobicContact CZ-CG 4.37Å; F49-F79 HydrophobicContact CZ-CZ 4.16Å; L50-F79 HydrophobicContact CD1-CE2 4.18Å; L50-F79 HydrophobicContact CD1-CZ 3.83Å; L50-F79 HydrophobicContact CD2-CZ 4.06Å; L50-F79 HydrophobicContact CG-CZ 4.37Å; S75-F79 WeakPolarHBondContact O-CB 3.38Å; S75-F79 PolarHBondContact O-N 2.89Å; W76-F79 AromaticContact CE3-CD1 3.81Å; W76-F79 HydrophobicContact CE3-CD1 3.81Å; W76-F79 HydrophobicContact CE3-CE1 4.43Å; W76-F79 HydrophobicContact CE3-CG 4.48Å; W76-F79 AromaticContact CZ3-CD1 3.89Å; W76-F79 HydrophobicContact CZ3-CD1 3.89Å; W76-F79 HydrophobicContact CZ3-CE1 4.09Å; W76-F79 PolarHBondContact O-N 3.5Å; F79-N82 PolarHBondContact O-N 2.62Å; F79-T83 WeakPolarHBondContact O-CB 3.38Å; F79-T83 PolarHBondContact O-N 3.47Å; F79-T83 PolarHBondContact O-OG1 3.18Å; F79-A92 WeakPolarHBondContact CA-O 2.87Å; F79-A92 HydrophobicContact CD2-CB 3.7Å; F79-A92 HydrophobicContact CE2-CB 3.73Å
80	F	89.4	Confident	80.2	Confident	6 Å²	6	66 Å²	66	3%	0.026	37%	0.374	C	S	.	.	H	α-helix	trans	-71	-35.1	-179	-65	-48	0	0	0	113	V58 M61 Y62 W65 W76 T83 N84	V58-F80 HydrophobicContact CG1-CE1 4.21Å; V58-F80 HydrophobicContact CG1-CZ 4.4Å; M61-F80 HydrophobicContact CB-CE2 3.94Å; M61-F80 HydrophobicContact CB-CZ 3.92Å; M61-F80 WeakPolarHBondContact O-CE2 3.23Å; Y62-F80 HydrophobicContact CD2-CB 4.13Å; Y62-F80 AromaticContact CD2-CD1 3.42Å; Y62-F80 HydrophobicContact CD2-CD1 3.42Å; Y62-F80 VanDerWaalsContact CD2-CD1 3.42Å; Y62-F80 HydrophobicContact CD2-CD2 4.23Å; Y62-F80 AromaticContact CD2-CE1 3.77Å; Y62-F80 HydrophobicContact CD2-CE1 3.77Å; Y62-F80 AromaticContact CD2-CG 3.69Å; Y62-F80 HydrophobicContact CD2-CG 3.69Å; Y62-F80 HydrophobicContact CD2-CZ 4.3Å; Y62-F80 HydrophobicContact CE2-CB 4.3Å; Y62-F80 HydrophobicContact CE2-CD1 4.16Å; Y62-F80 HydrophobicContact CE2-CG 4.33Å; Y62-F80 HydrophobicContact CG-CD1 4.27Å; Y62-F80 HydrophobicContact CG-CE1 4.16Å; W65-F80 HydrophobicContact CB-CD2 3.71Å; W65-F80 HydrophobicContact CB-CE2 4.13Å; W65-F80 HydrophobicContact CD2-CB 3.57Å; W65-F80 HydrophobicContact CD2-CD2 4.01Å; W65-F80 HydrophobicContact CD2-CG 4.17Å; W65-F80 HydrophobicContact CE3-CB 3.7Å; W65-F80 HydrophobicContact CE3-CD2 4.47Å; W65-F80 HydrophobicContact CE3-CG 4.31Å; W65-F80 HydrophobicContact CG-CB 4.1Å; W65-F80 AromaticContact CG-CD2 3.64Å; W65-F80 HydrophobicContact CG-CD2 3.64Å; W65-F80 HydrophobicContact CG-CG 4.28Å; W65-F80 HydrophobicContact CH2-CB 4.19Å; W65-F80 HydrophobicContact CZ2-CB 4.1Å; W65-F80 HydrophobicContact CZ3-CB 4Å; W76-F80 HydrophobicContact CB-CD2 4.22Å; W76-F80 HydrophobicContact CB-CE2 3.96Å; W76-F80 HydrophobicContact CD2-CE2 4.34Å; W76-F80 HydrophobicContact CD2-CZ 4.43Å; W76-F80 HydrophobicContact CE3-CE1 4.15Å; W76-F80 AromaticContact CE3-CE2 3.76Å; W76-F80 HydrophobicContact CE3-CE2 3.76Å; W76-F80 AromaticContact CE3-CZ 3.52Å; W76-F80 HydrophobicContact CE3-CZ 3.52Å; W76-F80 HydrophobicContact CG-CE2 4.46Å; W76-F80 HydrophobicContact CZ3-CE1 4.36Å; W76-F80 AromaticContact CZ3-CZ 3.96Å; W76-F80 HydrophobicContact CZ3-CZ 3.96Å; W76-F80 WeakPolarHBondContact O-CB 3.45Å; W76-F80 WeakPolarHBondContact O-CD2 3.45Å; W76-F80 WeakPolarHBondContact O-CG 3.44Å; W76-F80 PolarHBondContact O-N 3.5Å; F80-T83 PolarHBondContact O-N 2.71Å; F80-N84 WeakPolarHBondContact O-CB 3.39Å; F80-N84 PolarHBondContact O-N 3.45Å
81	R	85.4	Confident	79.2	Confident	136 Å²	136	60.6 Å²	60.6	51%	0.513	36%	0.357	S	S	.	.	H	α-helix	trans	-61.4	-46.6	171.7	-76.3	-176.5	-161.9	-152.3	7.7	112.3	W65 D77 I78 T83 N84 A85	W65-R81 HydrophobicContact CH2-CG 4.38Å; W65-R81 HydrophobicContact CZ2-CB 4.48Å; W65-R81 HydrophobicContact CZ2-CG 3.56Å; D77-R81 WeakPolarHBondContact O-CB 3.24Å; D77-R81 VanDerWaalsContact O-CG 3.26Å; D77-R81 WeakPolarHBondContact O-CG 3.32Å; D77-R81 PolarHBondContact O-N 3.15Å; D77-R81 IonicContact OD1-CZ 3.24Å; D77-R81 IonicContact OD1-NE 3.01Å; D77-R81 PolarHBondContact OD1-NE 3.33Å; D77-R81 IonicContact OD1-NH2 3.37Å; D77-R81 PolarHBondContact OD1-NH2 3.3Å; D77-R81 VanDerWaalsContact OD1-NH2 3.13Å; D77-R81 IonicContact OD2-CZ 2.8Å; D77-R81 IonicContact OD2-NE 3.65Å; D77-R81 PolarHBondContact OD2-NE 3.12Å; D77-R81 IonicContact OD2-NH2 3.87Å; D77-R81 PolarHBondContact OD2-NH2 3.33Å; I78-R81 PolarHBondContact O-N 3.24Å; R81-T83 VanDerWaalsContact C-N 3.34Å; R81-N84 PolarHBondContact O-N 2.9Å; R81-A85 VanDerWaalsContact O-CB 3.27Å; R81-A85 WeakPolarHBondContact O-CB 3.33Å; R81-A85 PolarHBondContact O-N 3.01Å
82	N	81.2	Confident	78.3	Confident	44 Å²	44	57.5 Å²	57.5	24%	0.235	34%	0.335	C	S	.	.	H	α-helix	trans	-67.6	-39.1	-179.3	-69.3	-17.9	0	0	0	110.8	I78 F79 A85 G86 A87 A92	I78-N82 WeakPolarHBondContact CG2-ND2 3.31Å; I78-N82 WeakPolarHBondContact O-CB 3.47Å; I78-N82 PolarHBondContact O-N 3.45Å; I78-N82 PolarHBondContact O-ND2 3.41Å; F79-N82 PolarHBondContact O-N 2.62Å; N82-A85 PolarHBondContact O-N 3.47Å; N82-G86 PolarHBondContact O-N 3.28Å; N82-A87 HydrophobicContact CB-CB 4.16Å; N82-A87 WeakPolarHBondContact O-CB 3.43Å; N82-A87 PolarHBondContact O-N 2.97Å; N82-A92 HydrophobicContact CB-CB 4.05Å; N82-A92 WeakPolarHBondContact CB-O 3.33Å; N82-A92 PolarHBondContact ND2-O 2.94Å
83	T	80.8	Confident	77.4	Confident	60 Å²	60	61.5 Å²	61.5	37%	0.368	35%	0.35	S	S	.	.	H	α-helix	trans	-62.3	-47.4	174.3	-53.2	0	0	0	0	111.4	F79 F80 R81 A85 G86 A92	F79-T83 WeakPolarHBondContact O-CB 3.38Å; F79-T83 PolarHBondContact O-N 3.47Å; F79-T83 PolarHBondContact O-OG1 3.18Å; F80-T83 PolarHBondContact O-N 2.71Å; R81-T83 VanDerWaalsContact C-N 3.34Å; T83-A85 VanDerWaalsContact C-N 3.27Å; T83-A85 PolarHBondContact O-N 3.25Å; T83-G86 PolarHBondContact O-N 2.9Å; T83-A92 VanDerWaalsContact OG1-CB 3.29Å; T83-A92 WeakPolarHBondContact OG1-CB 2.93Å
84	N	81.4	Confident	76.4	Confident	91 Å²	91	61 Å²	61	49%	0.487	35%	0.348	S	S	.	.	H	α-helix	trans	-68.3	-24.4	176.9	-86.1	3.6	0	0	0	113.7	Y62 W65 F80 R81 G86	Y62-N84 PolarHBondContact OH-ND2 3.43Å; Y62-N84 VanDerWaalsContact OH-ND2 3.11Å; Y62-N84 PolarHBondContact OH-OD1 3.02Å; Y62-N84 VanDerWaalsContact OH-OD1 3.1Å; W65-N84 WeakPolarHBondContact CZ3-ND2 3.45Å; F80-N84 WeakPolarHBondContact O-CB 3.39Å; F80-N84 PolarHBondContact O-N 3.45Å; R81-N84 PolarHBondContact O-N 2.9Å; N84-G86 PolarHBondContact O-N 2.85Å
85	A	78.8	Confident	75.2	Confident	87 Å²	87	58.4 Å²	58.4	72%	0.719	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	2.1	171.4	0	0	0	0	0	113.3	R81 N82 T83	R81-A85 VanDerWaalsContact O-CB 3.27Å; R81-A85 WeakPolarHBondContact O-CB 3.33Å; R81-A85 PolarHBondContact O-N 3.01Å; N82-A85 PolarHBondContact O-N 3.47Å; T83-A85 VanDerWaalsContact C-N 3.27Å; T83-A85 PolarHBondContact O-N 3.25Å
86	G	73.3	Confident	73.7	Confident	63 Å²	63	59.7 Å²	59.7	65%	0.649	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.7	22.9	176.4	0	0	0	0	0	114.5	N82 T83 N84	N82-G86 PolarHBondContact O-N 3.28Å; T83-G86 PolarHBondContact O-N 2.9Å; N84-G86 PolarHBondContact O-N 2.85Å
87	A	73.7	Confident	71.9	Confident	32 Å²	32	65 Å²	65	26%	0.264	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-62.5	135.2	176.5	0	0	0	0	0	111.3	N82 A92	N82-A87 HydrophobicContact CB-CB 4.16Å; N82-A87 WeakPolarHBondContact O-CB 3.43Å; N82-A87 PolarHBondContact O-N 2.97Å; A87-A92 HydrophobicContact CB-CB 4.27Å
88	P	66	Low	70	Confident	83 Å²	83	68.9 Å²	68.9	54%	0.539	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-65.8	150.8	177.2	23	-29.2	0	0	0	111.8	G90 T91	P88-G90 PolarHBondContact O-N 3.28Å; P88-T91 WeakPolarHBondContact CD-OG1 3.42Å; P88-T91 HydrophobicContact CG-CG2 4.35Å; P88-T91 WeakPolarHBondContact CG-OG1 3.42Å; P88-T91 PolarHBondContact O-N 2.91Å; P88-T91 VanDerWaalsContact O-N 3.12Å; P88-T91 PolarHBondContact O-OG1 3.16Å
89	P	61	Low	67.9	Low	120 Å²	120	75.7 Å²	75.7	78%	0.779	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	132.7	-177.9	-27.5	34.2	0	0	0	113.1
90	G	64.6	Low	65.5	Low	13 Å²	13	79 Å²	79	13%	0.134	47%	0.474	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.1	6.6	-177.4	0	0	0	0	0	116.1	A46 E47 P88	A46-G90 WeakPolarHBondContact CB-O 3.33Å; E47-G90 VanDerWaalsContact CD-CA 3.49Å; E47-G90 PolarHBondContact OE2-N 3.03Å; E47-G90 VanDerWaalsContact OE2-N 3.09Å; P88-G90 PolarHBondContact O-N 3.28Å
91	T	66.3	Low	63	Low	74 Å²	74	89.1 Å²	89.1	45%	0.454	51%	0.512	S	S	.	.	S	Bend	trans	-122.1	-3.5	173.3	65.6	0	0	0	0	113.1	P88	P88-T91 WeakPolarHBondContact CD-OG1 3.42Å; P88-T91 HydrophobicContact CG-CG2 4.35Å; P88-T91 WeakPolarHBondContact CG-OG1 3.42Å; P88-T91 PolarHBondContact O-N 2.91Å; P88-T91 VanDerWaalsContact O-N 3.12Å; P88-T91 PolarHBondContact O-OG1 3.16Å
92	A	69.9	Low	60.4	Low	3 Å²	3	88 Å²	88	3%	0.025	53%	0.525	C	S	.	.	S	Bend	trans	-76.8	-35.7	-177.9	0	0	0	0	0	111	E47 F79 N82 T83 A87 Q94	E47-A92 PolarHBondContact OE1-N 3.41Å; E47-A92 VanDerWaalsContact OE1-N 3.09Å; F79-A92 WeakPolarHBondContact CA-O 2.87Å; F79-A92 HydrophobicContact CD2-CB 3.7Å; F79-A92 HydrophobicContact CE2-CB 3.73Å; N82-A92 HydrophobicContact CB-CB 4.05Å; N82-A92 WeakPolarHBondContact CB-O 3.33Å; N82-A92 PolarHBondContact ND2-O 2.94Å; T83-A92 VanDerWaalsContact OG1-CB 3.29Å; T83-A92 WeakPolarHBondContact OG1-CB 2.93Å; A87-A92 HydrophobicContact CB-CB 4.27Å; A92-Q94 PolarHBondContact O-N 2.88Å
93	Y	69.1	Low	58.1	Low	98 Å²	98	89.9 Å²	89.9	38%	0.384	54%	0.542	S	S	.	.			trans	-73.5	117.5	174.4	-177	-93.8	0	0	0	111	E47 F49	E47-Y93 PolarHBondContact OE1-N 3.34Å; F49-Y93 HydrophobicContact CE1-CD2 4.05Å; F49-Y93 HydrophobicContact CE1-CG 4.41Å; F49-Y93 HydrophobicContact CZ-CD2 4.31Å
94	Q	63.2	Low	56	Low	115 Å²	115	92.9 Å²	92.9	54%	0.537	56%	0.555	S	S	.	*			trans	-121.4	126.7	163.7	-75.3	-178.8	-7.2	0	0	108.4	I78 A92	I78-Q94 HydrophobicContact CG2-CB 3.96Å; A92-Q94 PolarHBondContact O-N 2.88Å
95	S	55.4	Low	53.8	Low	81 Å²	81	93 Å²	93	57%	0.566	57%	0.569	S	S	*	*			trans	-54.6	132	171.5	179.9	0	0	0	0	108.8	L97	S95-L97 PolarHBondContact O-N 3.43Å
96	P	49.2	Very low	51.7	Low	44 Å²	44	95.2 Å²	95.2	29%	0.286	57%	0.574	S	S	.	*			trans	-53.6	115.8	173.2	-21.4	30.9	0	0	0	109	I78 S98	I78-P96 HydrophobicContact CD1-CB 4.5Å; I78-P96 HydrophobicContact CD1-CG 4.46Å; P96-S98 PolarHBondContact O-N 3.2Å
97	L	46.8	Very low	49.9	Very low	146 Å²	146	97.7 Å²	97.7	76%	0.764	57%	0.569	S	S	*	*			trans	-54.3	126.9	-175.6	-83.7	157	0	0	0	111.3	S95 L99	S95-L97 PolarHBondContact O-N 3.43Å; L97-L99 PolarHBondContact O-N 3.46Å
98	S	48.4	Very low	48	Very low	105 Å²	105	99.6 Å²	99.6	73%	0.734	59%	0.585	S	S	*	*	S	Bend	trans	-54.2	123.3	152.5	63.3	0	0	0	0	108.4	P96 S100	P96-S98 PolarHBondContact O-N 3.2Å; S98-S100 PolarHBondContact O-N 3.05Å
99	L	36.8	Very low	46.5	Very low	178 Å²	178	104.8 Å²	104.8	93%	0.932	60%	0.602	S	S	*	*	S	Bend	trans	18.3	89.5	162.5	-74.1	155.2	0	0	0	116.1	L97 R101	L97-L99 PolarHBondContact O-N 3.46Å; L99-R101 PolarHBondContact O-N 3.15Å
100	S	34.5	Very low	45.3	Very low	80 Å²	80	101.5 Å²	101.5	56%	0.559	59%	0.585	S	S	*	*			trans	-72.4	110.9	172	165.9	0	0	0	0	112.1	S98 S102	S98-S100 PolarHBondContact O-N 3.05Å; S100-S102 PolarHBondContact O-N 3.45Å; S100-S102 PolarHBondContact O-OG 3.22Å
101	R	37.3	Very low	43.7	Very low	219 Å²	219	108.2 Å²	108.2	83%	0.826	61%	0.613	S	S	*	*	S	Bend		39.1	9.1	117.4	-99.5	179.6	-176.2	169	2.5	123.5	L99 L104	L99-R101 PolarHBondContact O-N 3.15Å; R101-L104 HydrophobicContact CG-CD1 3.95Å
102	S	30.6	Very low	42.3	Very low	111 Å²	111	109.7 Å²	109.7	78%	0.776	63%	0.626	S	S	*	*			trans	-113	11.2	178.1	50.1	0	0	0	0	115.7	S100	S100-S102 PolarHBondContact O-N 3.45Å; S100-S102 PolarHBondContact O-OG 3.22Å
103	S	32.9	Very low	40.9	Very low	85 Å²	85	116.9 Å²	116.9	59%	0.594	66%	0.663	S	S	*	*	S	Bend	trans	-97.1	10.4	167.8	48.4	0	0	0	0	113.9	A105	S103-A105 VanDerWaalsContact C-N 3.34Å; S103-A105 PolarHBondContact O-N 3.25Å
104	L	36.9	Very low	39.4	Very low	122 Å²	122	118 Å²	118	64%	0.639	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	7	-171.6	-92.4	153.4	0	0	0	116.1	R101	R101-L104 HydrophobicContact CG-CD1 3.95Å
105	A	35.2	Very low	38.2	Very low	94 Å²	94	122.1 Å²	122.1	78%	0.777	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.4	-9.6	179.6	0	0	0	0	0	114.9	S103	S103-A105 VanDerWaalsContact C-N 3.34Å; S103-A105 PolarHBondContact O-N 3.25Å
106	T	35.3	Very low	37.5	Very low	134 Å²	134	121.8 Å²	121.8	82%	0.822	70%	0.701	S	S	*	*	S	Bend	trans	-120.7	11.1	-179	39.8	0	0	0	0	114.6
107	M	34.1	Very low	37.2	Very low	114 Å²	114	125.7 Å²	125.7	56%	0.562	72%	0.716	S	S	*	*			trans	-110.7	14.7	174	-70.5	-153.2	69.7	0	0	114.8	H109 A110	M107-H109 PolarHBondContact O-N 3.42Å; M107-A110 HydrophobicContact CE-CB 3.65Å; M107-A110 PolarHBondContact O-N 3.2Å; M107-A110 VanDerWaalsContact O-N 3.14Å
108	A	34.9	Very low	37.3	Very low	73 Å²	73	125 Å²	125	60%	0.603	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.8	5.7	177.9	0	0	0	0	0	114.9
109	H	35	Very low	37.9	Very low	192 Å²	192	125 Å²	125	89%	0.889	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.4	10.9	173.3	-94.3	23.5	0	0	0	114.3	M107	M107-H109 PolarHBondContact O-N 3.42Å
110	A	34.3	Very low	39.5	Very low	50 Å²	50	120.2 Å²	120.2	41%	0.413	69%	0.69	S	S	.	*	S	Bend	trans	-119.4	14.9	171.8	0	0	0	0	0	112.6	M107 S112	M107-A110 HydrophobicContact CE-CB 3.65Å; M107-A110 PolarHBondContact O-N 3.2Å; M107-A110 VanDerWaalsContact O-N 3.14Å; A110-S112 VanDerWaalsContact C-N 3.32Å
111	Q	32.2	Very low	41.5	Very low	155 Å²	155	122.1 Å²	122.1	72%	0.724	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.3	12.3	176.1	-82.6	-177.4	-36.5	0	0	114.1
112	S	37.5	Very low	43.3	Very low	104 Å²	104	116.9 Å²	116.9	73%	0.727	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.4	5.6	171	69.8	0	0	0	0	114.4	A110	A110-S112 VanDerWaalsContact C-N 3.32Å
113	L	39.3	Very low	45.6	Very low	155 Å²	155	116.1 Å²	116.1	81%	0.812	66%	0.664	S	S	*	*	S	Bend	trans	-136.5	8.9	-173.7	-74.7	170.6	0	0	0	116.5
114	V	38.6	Very low	48	Very low	122 Å²	122	115.7 Å²	115.7	74%	0.739	66%	0.657	S	S	*	*			trans	-137.1	60.5	170.7	-165.8	0	0	0	0	110.8
115	E	38	Very low	50.2	Low	201 Å²	201	116.2 Å²	116.2	94%	0.939	66%	0.656	S	S	*	*			trans	-96.9	85.5	150.9	-81.8	-173.6	154.7	0	0	107.6
116	A	39.2	Very low	52.5	Low	74 Å²	74	112.4 Å²	112.4	61%	0.612	62%	0.623	S	S	*	*			trans	-163.2	121.2	175.8	0	0	0	0	0	107.4
117	Q	44.2	Very low	54.9	Low	126 Å²	126	108.6 Å²	108.6	59%	0.589	60%	0.596	S	S	*	*			cis	-157.1	131	1.1	-75.5	-176.7	-17.3	0	0	109	N119 V120	Q117-N119 HydrophobicContact CB-CB 4.26Å; Q117-N119 PolarHBondContact O-N 3.35Å; Q117-V120 HydrophobicContact CB-CG2 4.31Å
118	P	48.7	Very low	57.4	Low	132 Å²	132	107.8 Å²	107.8	86%	0.857	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.2	1.2	167.3	-20.5	31.2	0	0	0	115.3
119	N	60.7	Low	59.9	Low	105 Å²	105	104.6 Å²	104.6	56%	0.561	57%	0.567	S	S	*	*	H	α-helix	trans	-100.4	-17.3	-167.8	-137.1	6.6	0	0	0	112.9	Q117 L123	Q117-N119 HydrophobicContact CB-CB 4.26Å; Q117-N119 PolarHBondContact O-N 3.35Å; N119-L123 WeakPolarHBondContact O-CB 3.37Å; N119-L123 PolarHBondContact O-N 2.86Å; N119-L123 VanDerWaalsContact O-N 3.12Å
120	V	70.8	Confident	62.4	Low	76 Å²	76	95.6 Å²	95.6	46%	0.461	53%	0.525	S	S	.	.	H	α-helix	trans	-77.3	-44.7	-176.4	179.8	0	0	0	0	111.5	Q117 K122 L123 V124	Q117-V120 HydrophobicContact CB-CG2 4.31Å; V120-K122 PolarHBondContact O-N 3.14Å; V120-L123 PolarHBondContact O-N 3.04Å; V120-V124 HydrophobicContact CG1-CG2 4.47Å; V120-V124 WeakPolarHBondContact O-CG2 3.38Å; V120-V124 PolarHBondContact O-N 3.36Å
121	D	75.2	Confident	65.1	Low	121 Å²	121	97.7 Å²	97.7	65%	0.647	53%	0.527	S	S	*	.	H	α-helix	trans	-62.2	-45.6	179	-65.6	-28.6	0	0	0	111.1	L123 V124 E125	D121-L123 VanDerWaalsContact C-N 3.33Å; D121-L123 PolarHBondContact O-N 3.27Å; D121-V124 PolarHBondContact O-N 3.09Å; D121-E125 WeakPolarHBondContact O-CG 3.39Å; D121-E125 PolarHBondContact O-N 3.26Å
122	K	76.8	Confident	67.7	Low	108 Å²	108	92.4 Å²	92.4	47%	0.47	51%	0.507	S	S	.	.	H	α-helix	trans	-62.1	-38.7	174.5	-173.5	169.7	-177.4	175.5	0	112.3	V120 E125 D126	V120-K122 PolarHBondContact O-N 3.14Å; K122-E125 PolarHBondContact O-N 3.18Å; K122-D126 WeakPolarHBondContact O-CB 3.49Å; K122-D126 PolarHBondContact O-N 3.46Å
123	L	78.8	Confident	70.1	Confident	95 Å²	95	87.6 Å²	87.6	50%	0.497	47%	0.473	S	S	.	.	H	α-helix	trans	-66.7	-38.8	176.7	-174.2	136.6	0	0	0	111.9	N119 V120 D121 H127	N119-L123 WeakPolarHBondContact O-CB 3.37Å; N119-L123 PolarHBondContact O-N 2.86Å; N119-L123 VanDerWaalsContact O-N 3.12Å; V120-L123 PolarHBondContact O-N 3.04Å; D121-L123 VanDerWaalsContact C-N 3.33Å; D121-L123 PolarHBondContact O-N 3.27Å; L123-H127 WeakPolarHBondContact O-CB 3.41Å; L123-H127 PolarHBondContact O-CD2 3.43Å; L123-H127 PolarHBondContact O-N 3.39Å
124	V	82.8	Confident	72.6	Confident	76 Å²	76	80.3 Å²	80.3	46%	0.461	44%	0.435	S	S	.	.	H	α-helix	trans	-66	-43.3	173.7	173.1	0	0	0	0	111	V120 D121 H127 L128	V120-V124 HydrophobicContact CG1-CG2 4.47Å; V120-V124 WeakPolarHBondContact O-CG2 3.38Å; V120-V124 PolarHBondContact O-N 3.36Å; D121-V124 PolarHBondContact O-N 3.09Å; V124-H127 PolarHBondContact O-N 3.3Å; V124-L128 HydrophobicContact CG1-CD1 4.11Å; V124-L128 HydrophobicContact CG1-CG 4.48Å; V124-L128 WeakPolarHBondContact O-CG 3.16Å; V124-L128 PolarHBondContact O-N 2.89Å
125	E	83.3	Confident	75.1	Confident	133 Å²	133	82.5 Å²	82.5	62%	0.621	43%	0.43	S	S	*	.	H	α-helix	trans	-58.9	-49.5	173.6	-74.7	178	174.6	0	0	111.7	D121 K122 H127 L128 A129	D121-E125 WeakPolarHBondContact O-CG 3.39Å; D121-E125 PolarHBondContact O-N 3.26Å; K122-E125 PolarHBondContact O-N 3.18Å; E125-H127 VanDerWaalsContact C-N 3.3Å; E125-H127 PolarHBondContact O-N 2.99Å; E125-L128 PolarHBondContact O-N 3.46Å; E125-A129 WeakPolarHBondContact O-CB 3.38Å; E125-A129 PolarHBondContact O-N 2.91Å
126	D	83.7	Confident	77.5	Confident	14 Å²	14	73.3 Å²	73.3	8%	0.075	39%	0.388	C	S	.	.	H	α-helix	trans	-59.3	-40.3	177.6	-68	-6.7	0	0	0	110.5	K122 A129 V130 K195 F197	K122-D126 WeakPolarHBondContact O-CB 3.49Å; K122-D126 PolarHBondContact O-N 3.46Å; D126-A129 WeakPolarHBondContact O-CB 3.49Å; D126-A129 PolarHBondContact O-N 2.75Å; D126-V130 WeakPolarHBondContact O-CG2 3.36Å; D126-V130 PolarHBondContact O-N 2.8Å; D126-K195 IonicContact OD2-NZ 3.54Å; D126-K195 PolarHBondContact OD2-NZ 2.98Å; D126-F197 HydrophobicContact CB-CE1 3.68Å; D126-F197 HydrophobicContact CB-CZ 4.04Å
127	H	85.9	Confident	79.9	Confident	55 Å²	55	70 Å²	70	26%	0.255	36%	0.36	S	S	.	.	H	α-helix	trans	-66.2	-43.8	175.9	-92.1	-77.4	0	0	0	113.4	L123 V124 E125 A129 V130 Q131 F197 H198	L123-H127 WeakPolarHBondContact O-CB 3.41Å; L123-H127 PolarHBondContact O-CD2 3.43Å; L123-H127 PolarHBondContact O-N 3.39Å; V124-H127 PolarHBondContact O-N 3.3Å; E125-H127 VanDerWaalsContact C-N 3.3Å; E125-H127 PolarHBondContact O-N 2.99Å; H127-A129 VanDerWaalsContact C-N 3.27Å; H127-A129 PolarHBondContact O-N 2.76Å; H127-V130 PolarHBondContact O-N 2.87Å; H127-Q131 PolarHBondContact O-N 3.24Å; H127-F197 AromaticContact CE1-CD1 3.95Å; H127-F197 AromaticContact ND1-CD1 3.9Å; H127-H198 PolarHBondContact CE1-N 2.75Å
128	L	86.3	Confident	82.2	Confident	96 Å²	96	64.4 Å²	64.4	50%	0.503	33%	0.334	S	S	.	.	H	α-helix	trans	-65.4	-34	176	-71.2	173.6	0	0	0	111.5	V124 E125 Q131 S132	V124-L128 HydrophobicContact CG1-CD1 4.11Å; V124-L128 HydrophobicContact CG1-CG 4.48Å; V124-L128 WeakPolarHBondContact O-CG 3.16Å; V124-L128 PolarHBondContact O-N 2.89Å; E125-L128 PolarHBondContact O-N 3.46Å; L128-Q131 PolarHBondContact O-N 3.33Å; L128-S132 WeakPolarHBondContact O-CB 3.28Å; L128-S132 PolarHBondContact O-N 3.12Å; L128-S132 PolarHBondContact O-OG 3.07Å
129	A	86.8	Confident	84.2	Confident	6 Å²	6	60.8 Å²	60.8	5%	0.05	31%	0.309	C	S	.	.	H	α-helix	trans	-63.4	-45.5	172.8	0	0	0	0	0	111.7	E125 D126 H127 S132 L133 Y186 L188	E125-A129 WeakPolarHBondContact O-CB 3.38Å; E125-A129 PolarHBondContact O-N 2.91Å; D126-A129 WeakPolarHBondContact O-CB 3.49Å; D126-A129 PolarHBondContact O-N 2.75Å; H127-A129 VanDerWaalsContact C-N 3.27Å; H127-A129 PolarHBondContact O-N 2.76Å; A129-S132 PolarHBondContact O-N 3.27Å; A129-L133 WeakPolarHBondContact O-CB 3.31Å; A129-L133 PolarHBondContact O-N 3.44Å; A129-Y186 HydrophobicContact CB-CG 4.46Å; A129-Y186 WeakPolarHBondContact CB-O 3.22Å; A129-L188 HydrophobicContact CB-CD1 3.99Å; A129-L188 HydrophobicContact CB-CD2 4.11Å; A129-L188 HydrophobicContact CB-CG 3.83Å
130	V	88.4	Confident	85.6	Confident	3 Å²	3	59.8 Å²	59.8	2%	0.018	30%	0.297	C	S	.	.	H	α-helix	trans	-64.7	-40.6	175.8	173.2	0	0	0	0	111.9	D126 H127 S132 L133 I134 L188 F197 L214 I217	D126-V130 WeakPolarHBondContact O-CG2 3.36Å; D126-V130 PolarHBondContact O-N 2.8Å; H127-V130 PolarHBondContact O-N 2.87Å; V130-S132 VanDerWaalsContact C-N 3.32Å; V130-S132 PolarHBondContact O-N 2.89Å; V130-L133 WeakPolarHBondContact O-CB 3.31Å; V130-L133 PolarHBondContact O-N 3.46Å; V130-I134 HydrophobicContact CG1-CD1 4.14Å; V130-I134 WeakPolarHBondContact O-CG1 3.37Å; V130-I134 PolarHBondContact O-N 3.39Å; V130-L188 HydrophobicContact CG2-CD1 4.13Å; V130-L188 HydrophobicContact CG2-CD2 4.35Å; V130-F197 HydrophobicContact CB-CD1 4.39Å; V130-F197 HydrophobicContact CB-CG 4.42Å; V130-F197 HydrophobicContact CG1-CB 4.24Å; V130-F197 HydrophobicContact CG1-CG 4.43Å; V130-F197 HydrophobicContact CG2-CB 4.45Å; V130-F197 HydrophobicContact CG2-CD1 3.78Å; V130-F197 HydrophobicContact CG2-CD2 3.91Å; V130-F197 HydrophobicContact CG2-CE1 3.9Å; V130-F197 HydrophobicContact CG2-CE2 4.02Å; V130-F197 HydrophobicContact CG2-CG 3.77Å; V130-F197 HydrophobicContact CG2-CZ 4.01Å; V130-L214 HydrophobicContact CG2-CD1 3.93Å; V130-I217 HydrophobicContact CG1-CD1 3.84Å; V130-I217 HydrophobicContact CG1-CG2 4.48Å
131	Q	89.8	Confident	86.4	Confident	94 Å²	94	56.1 Å²	56.1	44%	0.439	28%	0.275	S	S	.	.	H	α-helix	trans	-62.6	-41.2	174.2	-175.9	176.9	-4.2	0	0	111.8	H127 L128 L133 I134 R135 P200	H127-Q131 PolarHBondContact O-N 3.24Å; L128-Q131 PolarHBondContact O-N 3.33Å; Q131-L133 VanDerWaalsContact C-N 3.34Å; Q131-I134 PolarHBondContact O-N 3.37Å; Q131-R135 PolarHBondContact O-N 2.65Å; Q131-P200 HydrophobicContact CG-CB 4.49Å; Q131-P200 HydrophobicContact CG-CG 4.43Å
132	S	87.8	Confident	87.1	Confident	45 Å²	45	50.7 Å²	50.7	32%	0.315	25%	0.246	S	C	.	.	H	α-helix	trans	-66.2	-37.3	176	-59.9	0	0	0	0	111.8	L128 A129 V130 R135 A136	L128-S132 WeakPolarHBondContact O-CB 3.28Å; L128-S132 PolarHBondContact O-N 3.12Å; L128-S132 PolarHBondContact O-OG 3.07Å; A129-S132 PolarHBondContact O-N 3.27Å; V130-S132 VanDerWaalsContact C-N 3.32Å; V130-S132 PolarHBondContact O-N 2.89Å; S132-R135 PolarHBondContact O-N 2.83Å; S132-A136 WeakPolarHBondContact O-CB 3.4Å; S132-A136 PolarHBondContact O-N 3.4Å
133	L	87.4	Confident	87.5	Confident	3 Å²	3	48 Å²	48	2%	0.016	24%	0.235	C	C	.	.	H	α-helix	trans	-61.8	-50.4	174.2	-178.6	63.5	0	0	0	111.5	A129 V130 Q131 R135 A136 Y137 L177 L188 L214 I218	A129-L133 WeakPolarHBondContact O-CB 3.31Å; A129-L133 PolarHBondContact O-N 3.44Å; V130-L133 WeakPolarHBondContact O-CB 3.31Å; V130-L133 PolarHBondContact O-N 3.46Å; Q131-L133 VanDerWaalsContact C-N 3.34Å; L133-R135 VanDerWaalsContact C-N 3.29Å; L133-R135 PolarHBondContact O-N 2.87Å; L133-A136 WeakPolarHBondContact O-CB 3.14Å; L133-A136 PolarHBondContact O-N 3.2Å; L133-Y137 HydrophobicContact CD1-CD2 4.07Å; L133-Y137 HydrophobicContact CD1-CE2 3.68Å; L133-Y137 HydrophobicContact CG-CD2 4.21Å; L133-Y137 HydrophobicContact CG-CE2 4.06Å; L133-Y137 WeakPolarHBondContact O-CD2 3.29Å; L133-Y137 PolarHBondContact O-N 3.13Å; L133-Y137 VanDerWaalsContact O-N 3.07Å; L133-L177 HydrophobicContact CD1-CD2 3.76Å; L133-L188 HydrophobicContact CD2-CD1 4.28Å; L133-L214 HydrophobicContact CD2-CD1 3.91Å; L133-I218 HydrophobicContact CD2-CD1 4.43Å; L133-I218 HydrophobicContact CD2-CG1 3.95Å
134	I	91.6	Very high	87.7	Confident	2 Å²	2	44.5 Å²	44.5	1%	0.01	22%	0.217	C	C	.	.	H	α-helix	trans	-53.9	-49.4	175.3	-70.5	161.2	0	0	0	110	V130 Q131 A136 Y137 Q138 P200 T203 I217 L221	V130-I134 HydrophobicContact CG1-CD1 4.14Å; V130-I134 WeakPolarHBondContact O-CG1 3.37Å; V130-I134 PolarHBondContact O-N 3.39Å; Q131-I134 PolarHBondContact O-N 3.37Å; I134-A136 VanDerWaalsContact C-N 3.3Å; I134-A136 PolarHBondContact O-N 3.21Å; I134-Y137 PolarHBondContact O-N 3.29Å; I134-Q138 WeakPolarHBondContact O-CG 3.4Å; I134-Q138 PolarHBondContact O-N 3.03Å; I134-P200 HydrophobicContact CD1-CG 3.76Å; I134-T203 HydrophobicContact CD1-CG2 4.18Å; I134-T203 HydrophobicContact CG2-CG2 4.46Å; I134-I217 HydrophobicContact CD1-CG2 4.45Å; I134-I217 HydrophobicContact CG1-CG2 4.14Å; I134-L221 HydrophobicContact CB-CD1 4.41Å; I134-L221 HydrophobicContact CG1-CD1 3.87Å; I134-L221 HydrophobicContact CG1-CD2 4.44Å; I134-L221 HydrophobicContact CG2-CD2 4.26Å
135	R	90.9	Very high	88	Confident	167 Å²	167	41.4 Å²	41.4	63%	0.63	20%	0.199	S	C	*	.	H	α-helix	trans	-60.7	-39	177.6	-174.9	175	-178	169.3	1.9	112.3	Q131 S132 L133 Y137 Q138 V139	Q131-R135 PolarHBondContact O-N 2.65Å; S132-R135 PolarHBondContact O-N 2.83Å; L133-R135 VanDerWaalsContact C-N 3.29Å; L133-R135 PolarHBondContact O-N 2.87Å; R135-Y137 VanDerWaalsContact C-N 3.34Å; R135-Y137 PolarHBondContact O-N 3.42Å; R135-Q138 PolarHBondContact O-N 2.91Å; R135-V139 HydrophobicContact CG-CG2 4.15Å; R135-V139 WeakPolarHBondContact O-CB 3.26Å; R135-V139 VanDerWaalsContact O-CG2 3.23Å; R135-V139 WeakPolarHBondContact O-CG2 3.29Å; R135-V139 PolarHBondContact O-N 3.42Å
136	A	88.3	Confident	88.3	Confident	8 Å²	8	38.7 Å²	38.7	7%	0.066	19%	0.185	C	C	.	.	H	α-helix	trans	-61.9	-41.9	177.9	0	0	0	0	0	111.6	S132 L133 I134 V139 R140 L180	S132-A136 WeakPolarHBondContact O-CB 3.4Å; S132-A136 PolarHBondContact O-N 3.4Å; L133-A136 WeakPolarHBondContact O-CB 3.14Å; L133-A136 PolarHBondContact O-N 3.2Å; I134-A136 VanDerWaalsContact C-N 3.3Å; I134-A136 PolarHBondContact O-N 3.21Å; A136-V139 PolarHBondContact O-N 3.1Å; A136-R140 WeakPolarHBondContact O-CA 3.46Å; A136-R140 WeakPolarHBondContact O-CB 3.39Å; A136-R140 PolarHBondContact O-N 2.82Å; A136-L180 HydrophobicContact CB-CB 4.33Å
137	Y	89.1	Confident	88.8	Confident	6 Å²	6	38.8 Å²	38.8	2%	0.024	19%	0.185	C	C	.	.	H	α-helix	trans	-64.6	-43.5	173.4	-83.6	-84.3	0	0	0	112.6	L133 I134 R135 V139 G141 L180 L221 E222 C226	L133-Y137 HydrophobicContact CD1-CD2 4.07Å; L133-Y137 HydrophobicContact CD1-CE2 3.68Å; L133-Y137 HydrophobicContact CG-CD2 4.21Å; L133-Y137 HydrophobicContact CG-CE2 4.06Å; L133-Y137 WeakPolarHBondContact O-CD2 3.29Å; L133-Y137 PolarHBondContact O-N 3.13Å; L133-Y137 VanDerWaalsContact O-N 3.07Å; I134-Y137 PolarHBondContact O-N 3.29Å; R135-Y137 VanDerWaalsContact C-N 3.34Å; R135-Y137 PolarHBondContact O-N 3.42Å; Y137-V139 VanDerWaalsContact C-N 3.28Å; Y137-V139 PolarHBondContact O-N 2.98Å; Y137-G141 VanDerWaalsContact O-CA 3.28Å; Y137-G141 WeakPolarHBondContact O-CA 3.28Å; Y137-G141 PolarHBondContact O-N 2.69Å; Y137-L180 HydrophobicContact CD1-CD1 4.01Å; Y137-L180 HydrophobicContact CD2-CD1 4.08Å; Y137-L180 HydrophobicContact CE1-CD1 3.6Å; Y137-L180 HydrophobicContact CE2-CD1 3.7Å; Y137-L180 HydrophobicContact CG-CD1 4.22Å; Y137-L180 VanDerWaalsContact CZ-CD1 3.43Å; Y137-L221 HydrophobicContact CD1-CB 3.94Å; Y137-L221 HydrophobicContact CD2-CB 3.95Å; Y137-L221 HydrophobicContact CD2-CD1 3.64Å; Y137-L221 HydrophobicContact CD2-CG 4.35Å; Y137-L221 HydrophobicContact CE1-CB 4.38Å; Y137-L221 HydrophobicContact CE2-CB 4.37Å; Y137-L221 HydrophobicContact CE2-CD1 4.19Å; Y137-L221 HydrophobicContact CG-CB 3.72Å; Y137-L221 HydrophobicContact CG-CD1 4.12Å; Y137-L221 HydrophobicContact CG-CG 4.36Å; Y137-E222 HydrophobicContact CE1-CG 3.78Å; Y137-C226 VanDerWaalsContact CD1-SG 3.55Å; Y137-C226 VanDerWaalsContact CE1-SG 3.54Å
138	Q	94	Very high	89.1	Confident	7 Å²	7	37.2 Å²	37.2	3%	0.033	18%	0.179	C	C	.	.	H	α-helix	trans	-61.7	-35.2	177	-68.8	174.8	-12.7	0	0	112.7	I134 R135 T202 Y225 F233 M234 E250	I134-Q138 WeakPolarHBondContact O-CG 3.4Å; I134-Q138 PolarHBondContact O-N 3.03Å; R135-Q138 PolarHBondContact O-N 2.91Å; Q138-T202 PolarHBondContact NE2-O 2.6Å; Q138-Y225 HydrophobicContact CG-CE2 3.82Å; Q138-F233 HydrophobicContact CB-CZ 4.32Å; Q138-M234 HydrophobicContact CB-CG 4.11Å; Q138-M234 HydrophobicContact CB-SD 4.07Å; Q138-M234 VanDerWaalsContact O-CG 3.27Å; Q138-M234 WeakPolarHBondContact O-CG 3.47Å; Q138-E250 WeakPolarHBondContact CG-OE1 3.24Å; Q138-E250 PolarHBondContact NE2-OE1 3.26Å
139	V	90.9	Very high	89.5	Confident	56 Å²	56	33.2 Å²	33.2	34%	0.339	16%	0.159	S	C	.	.	H	α-helix	trans	-87	-34.8	-177.9	178.8	0	0	0	0	112.3	R135 A136 Y137 H142 M234	R135-V139 HydrophobicContact CG-CG2 4.15Å; R135-V139 WeakPolarHBondContact O-CB 3.26Å; R135-V139 VanDerWaalsContact O-CG2 3.23Å; R135-V139 WeakPolarHBondContact O-CG2 3.29Å; R135-V139 PolarHBondContact O-N 3.42Å; A136-V139 PolarHBondContact O-N 3.1Å; Y137-V139 VanDerWaalsContact C-N 3.28Å; Y137-V139 PolarHBondContact O-N 2.98Å; V139-H142 PolarHBondContact O-CD2 3.04Å; V139-H142 PolarHBondContact O-NE2 3.08Å; V139-H142 VanDerWaalsContact O-NE2 3.12Å; V139-M234 HydrophobicContact CB-CG 4.49Å; V139-M234 HydrophobicContact CG2-CB 3.91Å; V139-M234 HydrophobicContact CG2-CE 3.98Å; V139-M234 HydrophobicContact CG2-CG 3.81Å
140	R	88.4	Confident	89.7	Confident	84 Å²	84	33 Å²	33	32%	0.317	16%	0.157	S	C	.	.	H	α-helix	trans	-131.4	-4.1	-165.8	-62.7	-178.8	173.4	-170.7	-8.4	115.1	A136 H142 H143 L180	A136-R140 WeakPolarHBondContact O-CA 3.46Å; A136-R140 WeakPolarHBondContact O-CB 3.39Å; A136-R140 PolarHBondContact O-N 2.82Å; R140-H142 PolarHBondContact O-N 3.35Å; R140-H143 WeakPolarHBondContact O-CB 3.45Å; R140-H143 PolarHBondContact O-N 2.9Å; R140-L180 HydrophobicContact CB-CD2 3.86Å; R140-L180 WeakPolarHBondContact CD-O 3.13Å; R140-L180 PolarHBondContact NH1-O 2.99Å
141	G	88.6	Confident	89.6	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-56.6	-35.4	-179	0	0	0	0	0	112.4	Y137 H143 I144 A145 Y225	Y137-G141 VanDerWaalsContact O-CA 3.28Å; Y137-G141 WeakPolarHBondContact O-CA 3.28Å; Y137-G141 PolarHBondContact O-N 2.69Å; G141-H143 PolarHBondContact O-N 3.23Å; G141-H143 VanDerWaalsContact O-N 3.15Å; G141-I144 VanDerWaalsContact O-CG1 3.24Å; G141-I144 WeakPolarHBondContact O-CG1 3.43Å; G141-I144 PolarHBondContact O-N 3.37Å; G141-A145 PolarHBondContact O-N 3.28Å; G141-Y225 CarbonylContact C-O 3.52Å; G141-Y225 VanDerWaalsContact O-O 3.1Å
142	H	90.3	Very high	89.2	Confident	6 Å²	6	35.1 Å²	35.1	3%	0.028	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-56.3	-29.2	174.7	70.9	104.7	0	0	0	113.9	V139 R140 I144 A145 Y225 E232 Y471	V139-H142 PolarHBondContact O-CD2 3.04Å; V139-H142 PolarHBondContact O-NE2 3.08Å; V139-H142 VanDerWaalsContact O-NE2 3.12Å; R140-H142 PolarHBondContact O-N 3.35Å; H142-I144 VanDerWaalsContact C-N 3.28Å; H142-I144 PolarHBondContact O-N 3.2Å; H142-A145 WeakPolarHBondContact O-CB 3.41Å; H142-A145 PolarHBondContact O-N 3.27Å; H142-Y225 PolarHBondContact N-O 3.14Å; H142-E232 HydrophobicContact CB-CG 4.22Å; H142-E232 IonicContact CE1-OE1 2.91Å; H142-E232 IonicContact CE1-OE2 2.69Å; H142-E232 PolarHBondContact CE1-OE2 3.06Å; H142-E232 VanDerWaalsContact ND1-CD 3.34Å; H142-E232 VanDerWaalsContact ND1-CG 3.28Å; H142-E232 WeakPolarHBondContact ND1-CG 3.45Å; H142-E232 IonicContact ND1-OE1 3.2Å; H142-E232 IonicContact ND1-OE2 2.76Å; H142-E232 IonicContact NE2-OE2 3.73Å; H142-Y471 AromaticContact CE1-CE2 3.61Å; H142-Y471 AromaticContact ND1-CE2 3.35Å; H142-Y471 WeakPolarHBondContact ND1-CE2 3.46Å; H142-Y471 AromaticContact ND1-CZ 3.55Å; H142-Y471 PolarHBondContact ND1-OH 3.28Å; H142-Y471 VanDerWaalsContact ND1-OH 3.11Å; H142-Y471 PolarHBondContact O-OH 2.97Å
143	H	84.2	Confident	88.2	Confident	53 Å²	53	36.6 Å²	36.6	25%	0.245	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-65.4	-30.9	176.4	-70.5	-56.7	0	0	0	113.2	R140 G141 V155 F157	R140-H143 WeakPolarHBondContact O-CB 3.45Å; R140-H143 PolarHBondContact O-N 2.9Å; G141-H143 PolarHBondContact O-N 3.23Å; G141-H143 VanDerWaalsContact O-N 3.15Å; H143-V155 WeakPolarHBondContact O-CG1 3.28Å; H143-V155 WeakPolarHBondContact O-CG2 3.38Å; H143-F157 HydrophobicContact CB-CE2 4.41Å; H143-F157 AromaticContact CE1-CE2 3.93Å; H143-F157 AromaticContact CE1-CZ 3.98Å; H143-F157 AromaticContact ND1-CE2 3.45Å; H143-F157 WeakPolarHBondContact ND1-CE2 3.38Å; H143-F157 AromaticContact ND1-CZ 3.52Å
144	I	83.5	Confident	86.6	Confident	21 Å²	21	38.7 Å²	38.7	11%	0.108	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-104.5	7.7	-178	65.6	166.8	0	0	0	112.1	G141 H142 V155 M179 L180 C226	G141-I144 VanDerWaalsContact O-CG1 3.24Å; G141-I144 WeakPolarHBondContact O-CG1 3.43Å; G141-I144 PolarHBondContact O-N 3.37Å; H142-I144 VanDerWaalsContact C-N 3.28Å; H142-I144 PolarHBondContact O-N 3.2Å; I144-V155 HydrophobicContact CG2-CG1 4.01Å; I144-M179 HydrophobicContact CB-CE 4.47Å; I144-M179 HydrophobicContact CG2-CB 4.5Å; I144-M179 HydrophobicContact CG2-CE 3.53Å; I144-M179 HydrophobicContact CG2-SD 4.48Å; I144-L180 HydrophobicContact CD1-CD1 4.04Å; I144-L180 HydrophobicContact CD1-CD2 4.09Å; I144-L180 HydrophobicContact CD1-CG 4.19Å; I144-L180 HydrophobicContact CG1-CD2 4.41Å; I144-C226 HydrophobicContact CD1-CB 4.3Å; I144-C226 HydrophobicContact CG1-CB 4.1Å
145	A	88.2	Confident	84.6	Confident	11 Å²	11	40.9 Å²	40.9	9%	0.091	23%	0.225	C	C	.	.	S	Bend	trans	-67.2	145.6	176.9	0	0	0	0	0	111.7	G141 H142 L147 C226 Q227	G141-A145 PolarHBondContact O-N 3.28Å; H142-A145 WeakPolarHBondContact O-CB 3.41Å; H142-A145 PolarHBondContact O-N 3.27Å; A145-L147 HydrophobicContact CB-CD1 4.18Å; A145-L147 HydrophobicContact CB-CD2 3.96Å; A145-L147 HydrophobicContact CB-CG 3.74Å; A145-L147 PolarHBondContact O-N 3.5Å; A145-C226 WeakPolarHBondContact CA-O 3.4Å; A145-Q227 CarbonylContact C-O 3.09Å
146	K	91.2	Very high	82.3	Confident	75 Å²	75	36.4 Å²	36.4	33%	0.326	21%	0.213	S	C	.	.			trans	-80.2	61	178.7	-65.4	176.7	-175.4	166.3	0	111.2	Q227 H228 N487	K146-Q227 WeakPolarHBondContact CA-O 3.35Å; K146-Q227 PolarHBondContact N-O 2.88Å; K146-H228 PolarHBondContact O-CD2 2.79Å; K146-N487 PolarHBondContact O-ND2 2.91Å
147	L	93.1	Very high	80.4	Confident	16 Å²	16	41.8 Å²	41.8	8%	0.084	24%	0.235	C	C	.	.			trans	-80.9	-35.3	-172.7	-60.8	174.2	0	0	0	113.4	A145 P149 Y471 H485 N487 V517	A145-L147 HydrophobicContact CB-CD1 4.18Å; A145-L147 HydrophobicContact CB-CD2 3.96Å; A145-L147 HydrophobicContact CB-CG 3.74Å; A145-L147 PolarHBondContact O-N 3.5Å; L147-P149 VanDerWaalsContact O-CD 3.26Å; L147-P149 WeakPolarHBondContact O-CD 3.45Å; L147-Y471 HydrophobicContact CD1-CE1 4.43Å; L147-H485 HydrophobicContact CD1-CB 3.58Å; L147-H485 HydrophobicContact CD2-CB 3.71Å; L147-H485 WeakPolarHBondContact CD2-O 3.5Å; L147-H485 HydrophobicContact CG-CB 4.26Å; L147-N487 WeakPolarHBondContact O-CA 3.43Å; L147-N487 WeakPolarHBondContact O-CB 3.42Å; L147-N487 VanDerWaalsContact O-CG 3.25Å; L147-N487 PolarHBondContact O-ND2 2.95Å; L147-V517 HydrophobicContact CB-CB 4.41Å; L147-V517 HydrophobicContact CB-CG1 4.47Å; L147-V517 HydrophobicContact CB-CG2 4.18Å; L147-V517 WeakPolarHBondContact O-CB 3.49Å; L147-V517 WeakPolarHBondContact O-CG1 3.16Å
148	D	93.4	Very high	78.3	Confident	22 Å²	22	48.3 Å²	48.3	12%	0.118	27%	0.271	C	S	.	.			trans	-83.4	113.1	-172.3	175.1	20.9	0	0	0	112	L150 G151 I152 S153 Q456	D148-L150 PolarHBondContact O-N 3.25Å; D148-L150 VanDerWaalsContact OD1-CB 3.31Å; D148-L150 WeakPolarHBondContact OD1-CB 3.23Å; D148-L150 PolarHBondContact OD1-N 3.23Å; D148-G151 PolarHBondContact O-N 3.42Å; D148-G151 PolarHBondContact OD2-N 3Å; D148-G151 VanDerWaalsContact OD2-N 3.12Å; D148-I152 WeakPolarHBondContact OD2-CG1 3.25Å; D148-I152 PolarHBondContact OD2-N 3.03Å; D148-S153 WeakPolarHBondContact OD2-CB 3.48Å; D148-S153 PolarHBondContact OD2-N 3.12Å; D148-Q456 PolarHBondContact OD1-NE2 3.36Å; D148-Q456 PolarHBondContact OD1-OE1 2.85Å
149	P	93.6	Very high	75.4	Confident	13 Å²	13	54.2 Å²	54.2	8%	0.084	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-23.5	176.3	25	-33.9	0	0	0	113.3	L147 D489 Y519 Q544	L147-P149 VanDerWaalsContact O-CD 3.26Å; L147-P149 WeakPolarHBondContact O-CD 3.45Å; P149-D489 HydrophobicContact CB-CB 4.02Å; P149-D489 VanDerWaalsContact CB-OD2 3.29Å; P149-D489 WeakPolarHBondContact CB-OD2 3.29Å; P149-Y519 HydrophobicContact CB-CD1 4.3Å; P149-Y519 HydrophobicContact CB-CE1 4.48Å; P149-Y519 HydrophobicContact CG-CD1 3.9Å; P149-Q544 PolarHBondContact O-NE2 2.9Å
150	L	91.3	Very high	72.5	Confident	1 Å²	1	54.8 Å²	54.8	1%	0.005	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-23.1	179.7	-56.9	-174.6	0	0	0	112.5	D148 I152 Y519 M537 Q540 I541 Q544	D148-L150 PolarHBondContact O-N 3.25Å; D148-L150 VanDerWaalsContact OD1-CB 3.31Å; D148-L150 WeakPolarHBondContact OD1-CB 3.23Å; D148-L150 PolarHBondContact OD1-N 3.23Å; L150-I152 HydrophobicContact CB-CB 4.45Å; L150-I152 HydrophobicContact CB-CD1 4.02Å; L150-I152 HydrophobicContact CB-CG1 3.85Å; L150-I152 HydrophobicContact CB-CG2 4.04Å; L150-I152 HydrophobicContact CD1-CD1 3.66Å; L150-I152 HydrophobicContact CD1-CG1 4.35Å; L150-I152 HydrophobicContact CG-CD1 4.49Å; L150-I152 PolarHBondContact O-N 2.88Å; L150-Y519 HydrophobicContact CD2-CD1 3.84Å; L150-Y519 HydrophobicContact CD2-CG 3.83Å; L150-Y519 HydrophobicContact CG-CG 4.48Å; L150-M537 HydrophobicContact CD1-CE 3.96Å; L150-M537 HydrophobicContact CD1-CG 3.82Å; L150-Q540 HydrophobicContact CB-CG 4.16Å; L150-Q540 VanDerWaalsContact O-CG 3.28Å; L150-Q540 WeakPolarHBondContact O-CG 3.21Å; L150-Q540 PolarHBondContact O-NE2 3.09Å; L150-I541 HydrophobicContact CD1-CD1 4.19Å; L150-I541 HydrophobicContact CD1-CG1 3.87Å; L150-I541 HydrophobicContact CD2-CG1 3.67Å; L150-I541 HydrophobicContact CG-CG1 4.45Å; L150-Q544 HydrophobicContact CD2-CG 3.65Å
151	G	86.3	Confident	69.9	Low	68 Å²	68	55.6 Å²	55.6	70%	0.701	33%	0.329	S	S	*	.	S	Bend	trans	62.9	28.2	-174	0	0	0	0	0	113.1	D148	D148-G151 PolarHBondContact O-N 3.42Å; D148-G151 PolarHBondContact OD2-N 3Å; D148-G151 VanDerWaalsContact OD2-N 3.12Å
152	I	80.3	Confident	67.5	Low	73 Å²	73	60.7 Å²	60.7	37%	0.374	36%	0.36	S	S	.	.			trans	-103.9	-16.6	179.2	67.9	-180	0	0	0	112.5	D148 L150 C154 M537 Q540	D148-I152 WeakPolarHBondContact OD2-CG1 3.25Å; D148-I152 PolarHBondContact OD2-N 3.03Å; L150-I152 HydrophobicContact CB-CB 4.45Å; L150-I152 HydrophobicContact CB-CD1 4.02Å; L150-I152 HydrophobicContact CB-CG1 3.85Å; L150-I152 HydrophobicContact CB-CG2 4.04Å; L150-I152 HydrophobicContact CD1-CD1 3.66Å; L150-I152 HydrophobicContact CD1-CG1 4.35Å; L150-I152 HydrophobicContact CG-CD1 4.49Å; L150-I152 PolarHBondContact O-N 2.88Å; I152-C154 PolarHBondContact O-N 3.24Å; I152-M537 HydrophobicContact CD1-CB 4.02Å; I152-M537 HydrophobicContact CD1-CG 3.78Å; I152-Q540 HydrophobicContact CG2-CB 4.2Å; I152-Q540 HydrophobicContact CG2-CG 3.95Å
153	S	67.3	Low	64.8	Low	76 Å²	76	66.8 Å²	66.8	53%	0.531	40%	0.398	S	S	.	.			trans	-64.3	122.8	176.7	-168.5	0	0	0	0	110.6	D148	D148-S153 WeakPolarHBondContact OD2-CB 3.48Å; D148-S153 PolarHBondContact OD2-N 3.12Å
154	C	54.4	Low	62.7	Low	48 Å²	48	67.9 Å²	67.9	32%	0.324	41%	0.408	S	S	.	.			trans	-89.2	112.7	172.5	51.3	0	0	0	0	108.9	I152 N156 P161	I152-C154 PolarHBondContact O-N 3.24Å; C154-N156 PolarHBondContact O-N 2.95Å; C154-N156 VanDerWaalsContact O-N 3.14Å; C154-P161 HydrophobicContact CB-CB 4.24Å
155	V	48.5	Very low	60.4	Low	48 Å²	48	70.3 Å²	70.3	29%	0.291	43%	0.427	S	S	.	.			trans	-65.2	-10.7	175.4	173.5	0	0	0	0	112.6	H143 I144 F157 M179	H143-V155 WeakPolarHBondContact O-CG1 3.28Å; H143-V155 WeakPolarHBondContact O-CG2 3.38Å; I144-V155 HydrophobicContact CG2-CG1 4.01Å; V155-F157 PolarHBondContact O-N 3.06Å; V155-M179 HydrophobicContact CG1-CE 4.44Å; V155-M179 HydrophobicContact CG1-SD 4.32Å
156	N	43.1	Very low	58	Low	73 Å²	73	74.5 Å²	74.5	39%	0.39	46%	0.455	S	S	.	.			trans	-85.3	105.3	179.1	-135.4	-6.5	0	0	0	109.9	C154 D158 D159	C154-N156 PolarHBondContact O-N 2.95Å; C154-N156 VanDerWaalsContact O-N 3.14Å; N156-D158 PolarHBondContact O-N 3.05Å; N156-D158 VanDerWaalsContact O-N 3.15Å; N156-D159 WeakPolarHBondContact CB-O 3.47Å; N156-D159 VanDerWaalsContact CG-O 3.25Å; N156-D159 PolarHBondContact ND2-O 3.21Å
157	F	47.9	Very low	55.6	Low	121 Å²	121	76.2 Å²	76.2	53%	0.531	47%	0.468	S	S	.	.	S	Bend	trans	-64.8	-10.9	177	-66.8	-73.4	0	0	0	113.2	H143 V155 P470	H143-F157 HydrophobicContact CB-CE2 4.41Å; H143-F157 AromaticContact CE1-CE2 3.93Å; H143-F157 AromaticContact CE1-CZ 3.98Å; H143-F157 AromaticContact ND1-CE2 3.45Å; H143-F157 WeakPolarHBondContact ND1-CE2 3.38Å; H143-F157 AromaticContact ND1-CZ 3.52Å; V155-F157 PolarHBondContact O-N 3.06Å; F157-P470 HydrophobicContact CD1-CG 4.35Å; F157-P470 HydrophobicContact CE1-CB 3.55Å; F157-P470 HydrophobicContact CE1-CG 3.75Å; F157-P470 HydrophobicContact CZ-CB 3.89Å; F157-P470 HydrophobicContact CZ-CG 4.18Å
158	D	45.1	Very low	53.4	Low	143 Å²	143	79.2 Å²	79.2	77%	0.765	49%	0.487	S	S	*	.	S	Bend	trans	-120.6	-20.4	179.5	-69.2	-40.9	0	0	0	116.2	N156	N156-D158 PolarHBondContact O-N 3.05Å; N156-D158 VanDerWaalsContact O-N 3.15Å
159	D	34	Very low	51.5	Low	130 Å²	130	83.4 Å²	83.4	70%	0.695	51%	0.51	S	S	*	.	S	Bend	trans	-172.7	121.2	177.8	-93.3	-39.2	0	0	0	114.9	N156	N156-D159 WeakPolarHBondContact CB-O 3.47Å; N156-D159 VanDerWaalsContact CG-O 3.25Å; N156-D159 PolarHBondContact ND2-O 3.21Å
160	A	31	Very low	49.3	Very low	68 Å²	68	85.8 Å²	85.8	56%	0.562	52%	0.521	S	S	*	.			trans	48.2	153.1	156	0	0	0	0	0	121.8
161	P	33.4	Very low	47.7	Very low	102 Å²	102	89.2 Å²	89.2	66%	0.662	55%	0.55	S	S	*	.			trans	-81.2	133.9	-162.5	31.5	-32.8	0	0	0	114	C154	C154-P161 HydrophobicContact CB-CB 4.24Å
162	V	36.7	Very low	46.5	Very low	106 Å²	106	87.5 Å²	87.5	64%	0.642	53%	0.525	S	S	*	.			trans	-110.7	121.4	167.9	-179.9	0	0	0	0	109.2
163	T	33.5	Very low	45.5	Very low	135 Å²	135	84.7 Å²	84.7	83%	0.828	51%	0.511	S	S	*	.			trans	-70	125.2	174	44.1	0	0	0	0	110.9	S165	T163-S165 PolarHBondContact O-N 3.2Å
164	V	40.1	Very low	45.3	Very low	76 Å²	76	85.9 Å²	85.9	46%	0.461	51%	0.506	S	S	.	.			trans	-87.2	105.3	178.3	-173.7	0	0	0	0	109.8
165	S	36.4	Very low	45.9	Very low	71 Å²	71	86.9 Å²	86.9	50%	0.497	51%	0.506	S	S	.	.			trans	-73.3	151.4	168	-178.4	0	0	0	0	111.1	T163	T163-S165 PolarHBondContact O-N 3.2Å
166	S	36.8	Very low	46.7	Very low	99 Å²	99	86 Å²	86	69%	0.692	50%	0.498	S	S	*	.	S	Bend	trans	-87.5	2.5	-168.6	53.5	0	0	0	0	115.8
167	N	41.4	Very low	47.7	Very low	112 Å²	112	82.8 Å²	82.8	60%	0.599	48%	0.48	S	S	*	.	S	Bend	trans	-108.4	134.7	177.2	-65.9	-13	0	0	0	109.2	D169	N167-D169 PolarHBondContact O-N 2.87Å
168	V	47.5	Very low	48.6	Very low	78 Å²	78	84.8 Å²	84.8	47%	0.473	48%	0.484	S	S	.	.			trans	-71.5	71.8	170.1	-170.7	0	0	0	0	107.5	F173	V168-F173 HydrophobicContact CG1-CB 4.07Å
169	D	52.8	Low	49.6	Very low	111 Å²	111	81.4 Å²	81.4	59%	0.594	47%	0.465	S	S	*	.			trans	-79.4	154.6	171.8	-145.4	-15.8	0	0	0	108.4	N167 A171 V172 F173	N167-D169 PolarHBondContact O-N 2.87Å; D169-A171 PolarHBondContact O-N 3.34Å; D169-V172 HydrophobicContact CB-CG2 4.23Å; D169-V172 WeakPolarHBondContact O-CA 3.15Å; D169-V172 PolarHBondContact O-N 2.93Å; D169-F173 PolarHBondContact O-N 3.4Å
170	L	48.2	Very low	51.2	Low	62 Å²	62	75.4 Å²	75.4	33%	0.325	43%	0.433	S	S	.	.	H	α-helix	trans	-53.7	-35.7	-174.2	179.6	56.3	0	0	0	112.8	K174 E190	L170-K174 HydrophobicContact CD1-CD 4.21Å; L170-K174 HydrophobicContact CD1-CG 4.4Å; L170-K174 HydrophobicContact CG-CD 4.43Å; L170-K174 WeakPolarHBondContact O-CB 3.4Å; L170-K174 WeakPolarHBondContact O-CG 3.44Å; L170-K174 PolarHBondContact O-N 3.38Å; L170-E190 HydrophobicContact CD1-CB 4.1Å; L170-E190 HydrophobicContact CD1-CG 4.33Å; L170-E190 WeakPolarHBondContact CD1-OE2 3.38Å
171	A	57.7	Low	52.6	Low	73 Å²	73	72.5 Å²	72.5	60%	0.603	41%	0.408	S	S	*	.	H	α-helix	trans	-70.6	-36.3	176.7	0	0	0	0	0	113	D169 E175	D169-A171 PolarHBondContact O-N 3.34Å; A171-E175 WeakPolarHBondContact O-CB 3.34Å; A171-E175 PolarHBondContact O-N 2.86Å
172	V	61.4	Low	53.4	Low	32 Å²	32	73.8 Å²	73.8	19%	0.194	41%	0.414	C	S	.	.	H	α-helix	trans	-73.7	-43	-179.2	179.6	0	0	0	0	110.7	D169 K174 E175 R176	D169-V172 HydrophobicContact CB-CG2 4.23Å; D169-V172 WeakPolarHBondContact O-CA 3.15Å; D169-V172 PolarHBondContact O-N 2.93Å; V172-K174 VanDerWaalsContact C-N 3.32Å; V172-K174 PolarHBondContact O-N 3.4Å; V172-E175 PolarHBondContact O-N 3.35Å; V172-R176 HydrophobicContact CG1-CG 4.35Å; V172-R176 WeakPolarHBondContact O-CB 3.49Å; V172-R176 VanDerWaalsContact O-CG 3.3Å; V172-R176 WeakPolarHBondContact O-CG 3.41Å; V172-R176 PolarHBondContact O-N 3.33Å
173	F	59.3	Low	53.9	Low	15 Å²	15	72.8 Å²	72.8	7%	0.066	43%	0.425	C	S	.	.	H	α-helix	trans	-56.3	-47.4	173.4	172	-110.6	0	0	0	111.2	V168 D169 L177 F185 L193 I218	V168-F173 HydrophobicContact CG1-CB 4.07Å; D169-F173 PolarHBondContact O-N 3.4Å; F173-L177 HydrophobicContact CD1-CD1 4.12Å; F173-L177 HydrophobicContact CD2-CD1 3.97Å; F173-L177 HydrophobicContact CE1-CD1 3.61Å; F173-L177 HydrophobicContact CE2-CD1 3.42Å; F173-L177 VanDerWaalsContact CE2-CD1 3.42Å; F173-L177 HydrophobicContact CE2-CG 4.42Å; F173-L177 HydrophobicContact CG-CD1 4.3Å; F173-L177 HydrophobicContact CZ-CD1 3.24Å; F173-L177 PolarHBondContact O-N 3.15Å; F173-L177 VanDerWaalsContact O-N 3.09Å; F173-F185 HydrophobicContact CE1-CE1 4.42Å; F173-L193 HydrophobicContact CE2-CD2 4.12Å; F173-L193 HydrophobicContact CZ-CD2 4.33Å; F173-I218 HydrophobicContact CD2-CD1 4.24Å; F173-I218 HydrophobicContact CE2-CD1 3.61Å
174	K	61.6	Low	54.9	Low	100 Å²	100	67.8 Å²	67.8	44%	0.435	40%	0.4	S	S	.	.	H	α-helix	trans	-66.9	-42.5	-178.7	-72.5	-176.2	174.1	174	0	113.2	L170 V172 R178 F185	L170-K174 HydrophobicContact CD1-CD 4.21Å; L170-K174 HydrophobicContact CD1-CG 4.4Å; L170-K174 HydrophobicContact CG-CD 4.43Å; L170-K174 WeakPolarHBondContact O-CB 3.4Å; L170-K174 WeakPolarHBondContact O-CG 3.44Å; L170-K174 PolarHBondContact O-N 3.38Å; V172-K174 VanDerWaalsContact C-N 3.32Å; V172-K174 PolarHBondContact O-N 3.4Å; K174-R178 WeakPolarHBondContact O-CB 3.48Å; K174-R178 PolarHBondContact O-N 3.48Å; K174-R178 VanDerWaalsContact O-N 3.11Å; K174-F185 HydrophobicContact CB-CE1 4.38Å; K174-F185 HydrophobicContact CB-CZ 3.64Å; K174-F185 HydrophobicContact CD-CZ 4.32Å; K174-F185 HydrophobicContact CG-CE1 3.97Å; K174-F185 HydrophobicContact CG-CZ 3.53Å
175	E	67.5	Low	55.6	Low	70 Å²	70	68.6 Å²	68.6	33%	0.327	40%	0.398	S	S	.	.	H	α-helix	trans	-70.6	-37.6	179.3	-172.2	61.9	-170.1	0	0	112.1	A171 V172 R178 M179	A171-E175 WeakPolarHBondContact O-CB 3.34Å; A171-E175 PolarHBondContact O-N 2.86Å; V172-E175 PolarHBondContact O-N 3.35Å; E175-R178 WeakPolarHBondContact O-CB 3.33Å; E175-R178 PolarHBondContact O-N 2.69Å; E175-R178 IonicContact OE1-NH1 2.8Å; E175-R178 IonicContact OE2-NH1 3.32Å; E175-R178 PolarHBondContact OE2-NH1 3.4Å; E175-M179 WeakPolarHBondContact O-CG 3.4Å; E175-M179 PolarHBondContact O-N 3.15Å
176	R	64.7	Low	57	Low	29 Å²	29	69.2 Å²	69.2	11%	0.109	39%	0.39	C	S	.	.	H	α-helix	trans	-66.4	-42.9	176.3	-74.9	-177.7	179.8	-160.1	3.5	112.7	V172 R178 M179 L180 E222	V172-R176 HydrophobicContact CG1-CG 4.35Å; V172-R176 WeakPolarHBondContact O-CB 3.49Å; V172-R176 VanDerWaalsContact O-CG 3.3Å; V172-R176 WeakPolarHBondContact O-CG 3.41Å; V172-R176 PolarHBondContact O-N 3.33Å; R176-R178 VanDerWaalsContact C-N 3.29Å; R176-R178 PolarHBondContact O-N 2.96Å; R176-M179 PolarHBondContact O-N 3.37Å; R176-L180 WeakPolarHBondContact O-CG 3.23Å; R176-L180 PolarHBondContact O-N 3.18Å; R176-E222 IonicContact CZ-OE1 3.46Å; R176-E222 IonicContact NH1-OE1 2.75Å; R176-E222 PolarHBondContact NH1-OE1 3.25Å; R176-E222 IonicContact NH1-OE2 2.87Å; R176-E222 PolarHBondContact NH1-OE2 3.34Å
177	L	64.5	Low	58.5	Low	5 Å²	5	67.3 Å²	67.3	3%	0.026	39%	0.386	C	S	.	.	H	α-helix	trans	-56.8	-46.7	172.1	-93.4	159	0	0	0	110.6	L133 F173 M179 L180 T181 F185	L133-L177 HydrophobicContact CD1-CD2 3.76Å; F173-L177 HydrophobicContact CD1-CD1 4.12Å; F173-L177 HydrophobicContact CD2-CD1 3.97Å; F173-L177 HydrophobicContact CE1-CD1 3.61Å; F173-L177 HydrophobicContact CE2-CD1 3.42Å; F173-L177 VanDerWaalsContact CE2-CD1 3.42Å; F173-L177 HydrophobicContact CE2-CG 4.42Å; F173-L177 HydrophobicContact CG-CD1 4.3Å; F173-L177 HydrophobicContact CZ-CD1 3.24Å; F173-L177 PolarHBondContact O-N 3.15Å; F173-L177 VanDerWaalsContact O-N 3.09Å; L177-M179 VanDerWaalsContact C-N 3.32Å; L177-M179 PolarHBondContact O-N 3.06Å; L177-L180 PolarHBondContact O-N 3.4Å; L177-T181 HydrophobicContact CD2-CG2 4.41Å; L177-T181 WeakPolarHBondContact O-CB 3.42Å; L177-T181 WeakPolarHBondContact O-CG2 3.49Å; L177-T181 PolarHBondContact O-N 3.3Å; L177-T181 PolarHBondContact O-OG1 2.71Å; L177-F185 HydrophobicContact CB-CD1 4.44Å; L177-F185 HydrophobicContact CB-CE1 4.08Å; L177-F185 HydrophobicContact CB-CZ 4.41Å; L177-F185 HydrophobicContact CD1-CD1 3.81Å; L177-F185 HydrophobicContact CD1-CE1 3.57Å; L177-F185 HydrophobicContact CG-CE1 4.44Å
178	R	68.1	Low	60.1	Low	163 Å²	163	62.2 Å²	62.2	62%	0.615	36%	0.358	S	S	*	.	H	α-helix	trans	-58.9	-39.5	175.9	-177.6	-171.8	175.2	-158.4	-2	113.2	K174 E175 R176	K174-R178 WeakPolarHBondContact O-CB 3.48Å; K174-R178 PolarHBondContact O-N 3.48Å; K174-R178 VanDerWaalsContact O-N 3.11Å; E175-R178 WeakPolarHBondContact O-CB 3.33Å; E175-R178 PolarHBondContact O-N 2.69Å; E175-R178 IonicContact OE1-NH1 2.8Å; E175-R178 IonicContact OE2-NH1 3.32Å; E175-R178 PolarHBondContact OE2-NH1 3.4Å; R176-R178 VanDerWaalsContact C-N 3.29Å; R176-R178 PolarHBondContact O-N 2.96Å
179	M	65.2	Low	61.3	Low	72 Å²	72	62.1 Å²	62.1	36%	0.355	36%	0.355	S	S	.	.	H	α-helix	trans	-72.1	-35.5	178	-70.9	-151	-65.3	0	0	112.9	I144 V155 E175 R176 L177	I144-M179 HydrophobicContact CB-CE 4.47Å; I144-M179 HydrophobicContact CG2-CB 4.5Å; I144-M179 HydrophobicContact CG2-CE 3.53Å; I144-M179 HydrophobicContact CG2-SD 4.48Å; V155-M179 HydrophobicContact CG1-CE 4.44Å; V155-M179 HydrophobicContact CG1-SD 4.32Å; E175-M179 WeakPolarHBondContact O-CG 3.4Å; E175-M179 PolarHBondContact O-N 3.15Å; R176-M179 PolarHBondContact O-N 3.37Å; L177-M179 VanDerWaalsContact C-N 3.32Å; L177-M179 PolarHBondContact O-N 3.06Å
180	L	67	Low	62.3	Low	4 Å²	4	61.8 Å²	61.8	2%	0.021	35%	0.35	C	S	.	.	H	α-helix	trans	-79.5	-29.6	-179.3	-68.4	170.1	0	0	0	112.4	A136 Y137 R140 I144 R176 L177	A136-L180 HydrophobicContact CB-CB 4.33Å; Y137-L180 HydrophobicContact CD1-CD1 4.01Å; Y137-L180 HydrophobicContact CD2-CD1 4.08Å; Y137-L180 HydrophobicContact CE1-CD1 3.6Å; Y137-L180 HydrophobicContact CE2-CD1 3.7Å; Y137-L180 HydrophobicContact CG-CD1 4.22Å; Y137-L180 VanDerWaalsContact CZ-CD1 3.43Å; R140-L180 HydrophobicContact CB-CD2 3.86Å; R140-L180 WeakPolarHBondContact CD-O 3.13Å; R140-L180 PolarHBondContact NH1-O 2.99Å; I144-L180 HydrophobicContact CD1-CD1 4.04Å; I144-L180 HydrophobicContact CD1-CD2 4.09Å; I144-L180 HydrophobicContact CD1-CG 4.19Å; I144-L180 HydrophobicContact CG1-CD2 4.41Å; R176-L180 WeakPolarHBondContact O-CG 3.23Å; R176-L180 PolarHBondContact O-N 3.18Å; L177-L180 PolarHBondContact O-N 3.4Å
181	T	61.1	Low	63.8	Low	8 Å²	8	63.1 Å²	63.1	5%	0.049	37%	0.365	C	S	.	.	S	Bend	trans	-109.1	118.5	-175	72.9	0	0	0	0	112.6	L177 G183 G184 Y186	L177-T181 HydrophobicContact CD2-CG2 4.41Å; L177-T181 WeakPolarHBondContact O-CB 3.42Å; L177-T181 WeakPolarHBondContact O-CG2 3.49Å; L177-T181 PolarHBondContact O-N 3.3Å; L177-T181 PolarHBondContact O-OG1 2.71Å; T181-G183 PolarHBondContact O-N 3.43Å; T181-G184 PolarHBondContact OG1-O 3.15Å; T181-Y186 HydrophobicContact CG2-CD2 3.86Å; T181-Y186 HydrophobicContact CG2-CE2 3.14Å
182	V	49.9	Very low	65	Low	128 Å²	128	59.8 Å²	59.8	78%	0.776	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	106.6	169.4	-170	0	0	0	0	107.8
183	G	47.8	Very low	66	Low	85 Å²	85	58.6 Å²	58.6	88%	0.876	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	110.2	4.9	173.1	0	0	0	0	0	117.1	T181	T181-G183 PolarHBondContact O-N 3.43Å
184	G	53.8	Low	67.3	Low	30 Å²	30	63.1 Å²	63.1	31%	0.309	35%	0.354	S	S	.	.	S	Bend	trans	104.2	-170.7	170.1	0	0	0	0	0	116	T181	T181-G184 PolarHBondContact OG1-O 3.15Å
185	F	55.9	Low	68.6	Low	93 Å²	93	62 Å²	62	41%	0.408	35%	0.349	S	S	.	.			trans	-61.7	135.2	-169.6	-71.9	-98.3	0	0	0	112.4	F173 K174 L177 G187 L188	F173-F185 HydrophobicContact CE1-CE1 4.42Å; K174-F185 HydrophobicContact CB-CE1 4.38Å; K174-F185 HydrophobicContact CB-CZ 3.64Å; K174-F185 HydrophobicContact CD-CZ 4.32Å; K174-F185 HydrophobicContact CG-CE1 3.97Å; K174-F185 HydrophobicContact CG-CZ 3.53Å; L177-F185 HydrophobicContact CB-CD1 4.44Å; L177-F185 HydrophobicContact CB-CE1 4.08Å; L177-F185 HydrophobicContact CB-CZ 4.41Å; L177-F185 HydrophobicContact CD1-CD1 3.81Å; L177-F185 HydrophobicContact CD1-CE1 3.57Å; L177-F185 HydrophobicContact CG-CE1 4.44Å; F185-G187 PolarHBondContact O-N 3.04Å; F185-L188 WeakPolarHBondContact CD1-O 3.35Å
186	Y	65.1	Low	69.8	Low	85 Å²	85	63.2 Å²	63.2	33%	0.333	36%	0.361	S	S	.	.			trans	-70.2	32	169.4	-61.5	-67.8	0	0	0	113.1	A129 T181 L188	A129-Y186 HydrophobicContact CB-CG 4.46Å; A129-Y186 WeakPolarHBondContact CB-O 3.22Å; T181-Y186 HydrophobicContact CG2-CD2 3.86Å; T181-Y186 HydrophobicContact CG2-CE2 3.14Å; Y186-L188 PolarHBondContact O-N 3.07Å; Y186-L188 VanDerWaalsContact O-N 3.13Å
187	G	67.8	Low	71.1	Confident	59 Å²	59	62.1 Å²	62.1	61%	0.608	36%	0.357	S	S	*	.	S	Bend	trans	72.2	-4.6	-174	0	0	0	0	0	115.5	F185	F185-G187 PolarHBondContact O-N 3.04Å
188	L	74.9	Confident	72.4	Confident	4 Å²	4	67.9 Å²	67.9	2%	0.021	38%	0.384	C	S	.	.			trans	-76.5	133.4	176.4	-61.9	172.4	0	0	0	111.6	A129 V130 L133 F185 Y186 D192 L214	A129-L188 HydrophobicContact CB-CD1 3.99Å; A129-L188 HydrophobicContact CB-CD2 4.11Å; A129-L188 HydrophobicContact CB-CG 3.83Å; V130-L188 HydrophobicContact CG2-CD1 4.13Å; V130-L188 HydrophobicContact CG2-CD2 4.35Å; L133-L188 HydrophobicContact CD2-CD1 4.28Å; F185-L188 WeakPolarHBondContact CD1-O 3.35Å; Y186-L188 PolarHBondContact O-N 3.07Å; Y186-L188 VanDerWaalsContact O-N 3.13Å; L188-D192 WeakPolarHBondContact CA-OD2 3.26Å; L188-D192 HydrophobicContact CD2-CB 4.42Å; L188-L214 HydrophobicContact CD1-CD1 4.46Å; L188-L214 HydrophobicContact CD1-CD2 4.26Å; L188-L214 HydrophobicContact CD2-CD2 4.24Å
189	D	74.1	Confident	73.6	Confident	77 Å²	77	61.5 Å²	61.5	41%	0.412	36%	0.361	S	S	.	.			trans	-123.9	-179.2	175.3	72.1	40.9	0	0	0	112.7	S191 D192	D189-S191 PolarHBondContact O-N 3.09Å; D189-S191 VanDerWaalsContact OD1-CA 3.31Å; D189-S191 WeakPolarHBondContact OD1-CA 3.48Å; D189-S191 WeakPolarHBondContact OD1-CB 3.23Å; D189-S191 PolarHBondContact OD1-N 3.34Å; D189-S191 PolarHBondContact OD1-OG 3.44Å; D189-D192 PolarHBondContact N-OD2 2.87Å; D189-D192 WeakPolarHBondContact O-CB 3.48Å; D189-D192 PolarHBondContact O-N 2.86Å; D189-D192 VanDerWaalsContact O-N 3.15Å; D189-D192 PolarHBondContact OD1-N 3.05Å
190	E	72.8	Confident	74.7	Confident	103 Å²	103	59.3 Å²	59.3	48%	0.481	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-63.8	-30.6	-178.5	-170	179.8	-171.2	0	0	112.8	L170 D192 L193	L170-E190 HydrophobicContact CD1-CB 4.1Å; L170-E190 HydrophobicContact CD1-CG 4.33Å; L170-E190 WeakPolarHBondContact CD1-OE2 3.38Å; E190-D192 PolarHBondContact O-N 3.46Å; E190-L193 HydrophobicContact CG-CD1 3.8Å; E190-L193 WeakPolarHBondContact O-CB 3.41Å; E190-L193 WeakPolarHBondContact O-CG 3.39Å; E190-L193 PolarHBondContact O-N 2.93Å; E190-L193 VanDerWaalsContact O-N 3.16Å
191	S	79.4	Confident	75.6	Confident	90 Å²	90	65.4 Å²	65.4	63%	0.629	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-67.5	-16.6	177.6	78.7	0	0	0	0	112.6	D189	D189-S191 PolarHBondContact O-N 3.09Å; D189-S191 VanDerWaalsContact OD1-CA 3.31Å; D189-S191 WeakPolarHBondContact OD1-CA 3.48Å; D189-S191 WeakPolarHBondContact OD1-CB 3.23Å; D189-S191 PolarHBondContact OD1-N 3.34Å; D189-S191 PolarHBondContact OD1-OG 3.44Å
192	D	83.5	Confident	76.9	Confident	3 Å²	3	67.3 Å²	67.3	2%	0.016	40%	0.402	C	S	.	.	G	3₁₀ helix	trans	-85.3	-11.5	176.7	-56.6	-43.7	0	0	0	113.5	L188 D189 E190 D194 K195 L214	L188-D192 WeakPolarHBondContact CA-OD2 3.26Å; L188-D192 HydrophobicContact CD2-CB 4.42Å; D189-D192 PolarHBondContact N-OD2 2.87Å; D189-D192 WeakPolarHBondContact O-CB 3.48Å; D189-D192 PolarHBondContact O-N 2.86Å; D189-D192 VanDerWaalsContact O-N 3.15Å; D189-D192 PolarHBondContact OD1-N 3.05Å; E190-D192 PolarHBondContact O-N 3.46Å; D192-D194 PolarHBondContact O-N 2.82Å; D192-K195 HydrophobicContact CB-CD 4.12Å; D192-K195 WeakPolarHBondContact O-CB 3.41Å; D192-K195 PolarHBondContact O-N 3.43Å; D192-K195 WeakPolarHBondContact OD1-CD 3.27Å; D192-K195 WeakPolarHBondContact OD1-CE 3.33Å; D192-K195 IonicContact OD1-NZ 2.67Å; D192-K195 PolarHBondContact OD1-NZ 2.99Å; D192-L214 HydrophobicContact CB-CD2 3.89Å; D192-L214 WeakPolarHBondContact O-CB 3.19Å
193	L	82	Confident	78.9	Confident	7 Å²	7	61.9 Å²	61.9	4%	0.037	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-34.7	-173.1	-74.4	177.5	0	0	0	113.5	F173 E190 L214 R215 I218	F173-L193 HydrophobicContact CE2-CD2 4.12Å; F173-L193 HydrophobicContact CZ-CD2 4.33Å; E190-L193 HydrophobicContact CG-CD1 3.8Å; E190-L193 WeakPolarHBondContact O-CB 3.41Å; E190-L193 WeakPolarHBondContact O-CG 3.39Å; E190-L193 PolarHBondContact O-N 2.93Å; E190-L193 VanDerWaalsContact O-N 3.16Å; L193-L214 HydrophobicContact CD2-CD2 4.45Å; L193-L214 HydrophobicContact CD2-CG 4.36Å; L193-L214 PolarHBondContact O-N 2.73Å; L193-R215 HydrophobicContact CB-CB 4.28Å; L193-R215 VanDerWaalsContact O-CB 3.32Å; L193-R215 WeakPolarHBondContact O-CB 3.36Å; L193-R215 PolarHBondContact O-N 2.86Å; L193-I218 HydrophobicContact CD2-CD1 3.82Å
194	D	87.2	Confident	81.2	Confident	110 Å²	110	60.8 Å²	60.8	59%	0.588	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-0.3	-178.6	-57.3	-40.5	0	0	0	112.6	D192 R215	D192-D194 PolarHBondContact O-N 2.82Å; D194-R215 IonicContact OD1-CZ 3.96Å; D194-R215 IonicContact OD1-NE 3.33Å; D194-R215 PolarHBondContact OD1-NE 2.75Å; D194-R215 IonicContact OD1-NH2 2.6Å; D194-R215 PolarHBondContact OD1-NH2 3.25Å; D194-R215 IonicContact OD2-NH2 3.91Å; D194-R215 PolarHBondContact OD2-NH2 3.41Å
195	K	89.6	Confident	83.1	Confident	78 Å²	78	59.4 Å²	59.4	34%	0.339	33%	0.326	S	S	.	.	S	Bend	trans	-71.2	139.9	170.7	-67.5	179.7	176.8	173.3	0	110.3	D126 D192 F197 P213 L214	D126-K195 IonicContact OD2-NZ 3.54Å; D126-K195 PolarHBondContact OD2-NZ 2.98Å; D192-K195 HydrophobicContact CB-CD 4.12Å; D192-K195 WeakPolarHBondContact O-CB 3.41Å; D192-K195 PolarHBondContact O-N 3.43Å; D192-K195 WeakPolarHBondContact OD1-CD 3.27Å; D192-K195 WeakPolarHBondContact OD1-CE 3.33Å; D192-K195 IonicContact OD1-NZ 2.67Å; D192-K195 PolarHBondContact OD1-NZ 2.99Å; K195-F197 HydrophobicContact CB-CD2 4.44Å; K195-F197 HydrophobicContact CB-CE2 3.66Å; K195-F197 HydrophobicContact CB-CZ 4.04Å; K195-F197 HydrophobicContact CD-CZ 4.28Å; K195-F197 WeakPolarHBondContact O-CD2 3.35Å; K195-P213 CarbonylContact O-C 3.34Å; K195-P213 VanDerWaalsContact O-CA 3.29Å; K195-P213 WeakPolarHBondContact O-CA 3.5Å; K195-L214 PolarHBondContact O-N 3.04Å
196	V	91.6	Very high	84.7	Confident	95 Å²	95	55.1 Å²	55.1	58%	0.576	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.8	130.3	179.4	177.9	0	0	0	0	110.3	A211 P213	V196-A211 HydrophobicContact CG1-CB 3.8Å; V196-P213 HydrophobicContact CG2-CG 4.26Å
197	F	91.4	Very high	85.9	Confident	6 Å²	6	53.1 Å²	53.1	3%	0.026	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	135.5	178.8	-65.9	-86.4	0	0	0	110.8	D126 H127 V130 K195 A211 L212 L214 I217	D126-F197 HydrophobicContact CB-CE1 3.68Å; D126-F197 HydrophobicContact CB-CZ 4.04Å; H127-F197 AromaticContact CE1-CD1 3.95Å; H127-F197 AromaticContact ND1-CD1 3.9Å; V130-F197 HydrophobicContact CB-CD1 4.39Å; V130-F197 HydrophobicContact CB-CG 4.42Å; V130-F197 HydrophobicContact CG1-CB 4.24Å; V130-F197 HydrophobicContact CG1-CG 4.43Å; V130-F197 HydrophobicContact CG2-CB 4.45Å; V130-F197 HydrophobicContact CG2-CD1 3.78Å; V130-F197 HydrophobicContact CG2-CD2 3.91Å; V130-F197 HydrophobicContact CG2-CE1 3.9Å; V130-F197 HydrophobicContact CG2-CE2 4.02Å; V130-F197 HydrophobicContact CG2-CG 3.77Å; V130-F197 HydrophobicContact CG2-CZ 4.01Å; K195-F197 HydrophobicContact CB-CD2 4.44Å; K195-F197 HydrophobicContact CB-CE2 3.66Å; K195-F197 HydrophobicContact CB-CZ 4.04Å; K195-F197 HydrophobicContact CD-CZ 4.28Å; K195-F197 WeakPolarHBondContact O-CD2 3.35Å; F197-A211 CarbonylContact O-C 3.59Å; F197-A211 WeakPolarHBondContact O-CA 3.36Å; F197-A211 WeakPolarHBondContact O-CB 3.36Å; F197-L212 PolarHBondContact N-O 3.22Å; F197-L212 PolarHBondContact O-N 3.12Å; F197-L214 HydrophobicContact CD2-CB 3.93Å; F197-L214 HydrophobicContact CE2-CB 3.8Å; F197-L214 HydrophobicContact CE2-CD2 4.36Å; F197-I217 HydrophobicContact CB-CD1 3.97Å
198	H	92.5	Very high	86.9	Confident	126 Å²	126	59.8 Å²	59.8	58%	0.583	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63	133.1	166	-75.7	-71.8	0	0	0	111.1	H127 S210	H127-H198 PolarHBondContact CE1-N 2.75Å; H198-S210 WeakPolarHBondContact CA-O 3.27Å
199	L	92.2	Very high	87.7	Confident	28 Å²	28	64.4 Å²	64.4	15%	0.147	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-79.8	137.4	179	-60.9	179.2	0	0	0	110.3	T203 I205 S210 L212 I217	L199-T203 HydrophobicContact CB-CG2 4.09Å; L199-T203 HydrophobicContact CD2-CG2 4.49Å; L199-I205 HydrophobicContact CD1-CG1 4.08Å; L199-I205 HydrophobicContact CD2-CD1 4.02Å; L199-I205 HydrophobicContact CD2-CG1 4.16Å; L199-S210 PolarHBondContact N-O 2.95Å; L199-L212 HydrophobicContact CD1-CD1 3.91Å; L199-L212 HydrophobicContact CD1-CG 4.12Å; L199-L212 HydrophobicContact CD2-CD1 4.4Å; L199-I217 HydrophobicContact CD2-CD1 3.71Å; L199-I217 HydrophobicContact CD2-CG1 3.84Å
200	P	89.8	Confident	88.5	Confident	26 Å²	26	64.9 Å²	64.9	17%	0.169	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-68.2	154.8	172.6	30.3	-34.1	0	0	0	110.2	Q131 I134 T202 T203	Q131-P200 HydrophobicContact CG-CB 4.49Å; Q131-P200 HydrophobicContact CG-CG 4.43Å; I134-P200 HydrophobicContact CD1-CG 3.76Å; P200-T202 PolarHBondContact O-N 2.98Å; P200-T203 HydrophobicContact CG-CG2 4.01Å; P200-T203 WeakPolarHBondContact O-CG2 3.46Å; P200-T203 PolarHBondContact O-N 3.24Å
201	T	85.6	Confident	89.6	Confident	133 Å²	133	61.1 Å²	61.1	82%	0.816	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-4	174.9	55.4	0	0	0	0	113.8	T203	T201-T203 VanDerWaalsContact C-N 3.34Å
202	T	87.8	Confident	90.3	Very high	48 Å²	48	57 Å²	57	29%	0.294	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	13.8	179.3	51.6	0	0	0	0	113	Q138 P200 R246	Q138-T202 PolarHBondContact NE2-O 2.6Å; P200-T202 PolarHBondContact O-N 2.98Å; T202-R246 VanDerWaalsContact O-CD 3.27Å; T202-R246 WeakPolarHBondContact O-CD 3.46Å
203	T	93.2	Very high	90.7	Very high	14 Å²	14	59.2 Å²	59.2	9%	0.086	33%	0.331	C	S	.	.			trans	-140.7	151.8	172.1	-169.8	0	0	0	0	112.5	I134 L199 P200 T201 I205 E250	I134-T203 HydrophobicContact CD1-CG2 4.18Å; I134-T203 HydrophobicContact CG2-CG2 4.46Å; L199-T203 HydrophobicContact CB-CG2 4.09Å; L199-T203 HydrophobicContact CD2-CG2 4.49Å; P200-T203 HydrophobicContact CG-CG2 4.01Å; P200-T203 WeakPolarHBondContact O-CG2 3.46Å; P200-T203 PolarHBondContact O-N 3.24Å; T201-T203 VanDerWaalsContact C-N 3.34Å; T203-I205 HydrophobicContact CG2-CD1 4.32Å; T203-I205 HydrophobicContact CG2-CG1 3.95Å; T203-I205 WeakPolarHBondContact OG1-CG1 3.47Å; T203-I205 PolarHBondContact OG1-N 2.86Å; T203-E250 WeakPolarHBondContact CA-OE2 3.33Å; T203-E250 WeakPolarHBondContact CB-OE2 3.49Å; T203-E250 PolarHBondContact OG1-OE1 3.09Å; T203-E250 PolarHBondContact OG1-OE2 2.75Å
204	F	94.7	Very high	91	Very high	62 Å²	62	58.9 Å²	58.9	27%	0.272	33%	0.33	S	S	.	.			trans	-115.4	7.8	177.1	-59.2	-89.8	0	0	0	112.8	G206 G207 Q243 R246 Q247 E250	F204-G206 PolarHBondContact O-N 2.81Å; F204-G206 VanDerWaalsContact O-N 3.08Å; F204-G207 PolarHBondContact O-N 3.36Å; F204-Q243 WeakPolarHBondContact CE2-O 3.33Å; F204-R246 HydrophobicContact CD2-CB 3.67Å; F204-R246 HydrophobicContact CE2-CB 3.92Å; F204-Q247 HydrophobicContact CD1-CB 4.41Å; F204-Q247 HydrophobicContact CD1-CG 4.33Å; F204-Q247 HydrophobicContact CD2-CB 4.11Å; F204-Q247 HydrophobicContact CE1-CB 4.39Å; F204-Q247 HydrophobicContact CE1-CG 4.43Å; F204-Q247 HydrophobicContact CE2-CB 4.08Å; F204-Q247 HydrophobicContact CG-CB 4.26Å; F204-Q247 HydrophobicContact CZ-CB 4.23Å; F204-E250 HydrophobicContact CB-CB 4.12Å; F204-E250 PolarHBondContact N-OE2 3.36Å
205	I	93.9	Very high	91	Very high	0 Å²	0	59 Å²	59	0%	0	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-25.7	176.8	63.7	-179.6	0	0	0	112.8	L199 T203 G207 I217 R220 L221 E250 P252	L199-I205 HydrophobicContact CD1-CG1 4.08Å; L199-I205 HydrophobicContact CD2-CD1 4.02Å; L199-I205 HydrophobicContact CD2-CG1 4.16Å; T203-I205 HydrophobicContact CG2-CD1 4.32Å; T203-I205 HydrophobicContact CG2-CG1 3.95Å; T203-I205 WeakPolarHBondContact OG1-CG1 3.47Å; T203-I205 PolarHBondContact OG1-N 2.86Å; I205-G207 VanDerWaalsContact C-N 3.29Å; I205-G207 PolarHBondContact O-N 3.45Å; I205-I217 HydrophobicContact CD1-CB 4.33Å; I205-I217 HydrophobicContact CD1-CG1 4.43Å; I205-I217 HydrophobicContact CD1-CG2 3.79Å; I205-R220 HydrophobicContact CB-CB 3.95Å; I205-R220 HydrophobicContact CG2-CB 4.26Å; I205-R220 WeakPolarHBondContact O-CD 3.43Å; I205-R220 PolarHBondContact O-NH1 3.28Å; I205-L221 HydrophobicContact CD1-CD2 4.16Å; I205-L221 HydrophobicContact CD1-CG 4.02Å; I205-L221 HydrophobicContact CG2-CD2 3.87Å; I205-L221 HydrophobicContact CG2-CG 4.32Å; I205-E250 WeakPolarHBondContact CA-O 3.3Å; I205-E250 HydrophobicContact CG2-CB 3.8Å; I205-E250 HydrophobicContact CG2-CG 4.11Å; I205-P252 WeakPolarHBondContact O-CG 2.9Å
206	G	90.6	Very high	91	Very high	4 Å²	4	57.3 Å²	57.3	4%	0.041	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-23	176.4	0	0	0	0	0	114.4	F204 Q208 E209 R220	F204-G206 PolarHBondContact O-N 2.81Å; F204-G206 VanDerWaalsContact O-N 3.08Å; G206-Q208 PolarHBondContact O-N 3.18Å; G206-E209 WeakPolarHBondContact CA-O 3.31Å; G206-E209 WeakPolarHBondContact O-CB 3.43Å; G206-E209 PolarHBondContact O-N 2.85Å; G206-R220 PolarHBondContact O-NH1 3.31Å
207	G	89.8	Confident	91	Very high	42 Å²	42	52.8 Å²	52.8	43%	0.433	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.5	-108.3	-165	0	0	0	0	0	110.2	F204 I205	F204-G207 PolarHBondContact O-N 3.36Å; I205-G207 VanDerWaalsContact C-N 3.29Å; I205-G207 PolarHBondContact O-N 3.45Å
208	Q	87.8	Confident	90.7	Very high	200 Å²	200	52.9 Å²	52.9	94%	0.935	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-9.7	175.8	-58.9	-60.3	-33.9	0	0	113.4	G206	G206-Q208 PolarHBondContact O-N 3.18Å
209	E	92	Very high	90.5	Very high	100 Å²	100	52.2 Å²	52.2	47%	0.467	28%	0.281	S	S	.	.			trans	-86.1	131.9	-178.4	-58.7	172.7	-103.1	0	0	110.8	G206 L212 R220	G206-E209 WeakPolarHBondContact CA-O 3.31Å; G206-E209 WeakPolarHBondContact O-CB 3.43Å; G206-E209 PolarHBondContact O-N 2.85Å; E209-L212 HydrophobicContact CB-CD2 4.2Å; E209-L212 VanDerWaalsContact OE2-CD2 3.26Å; E209-L212 WeakPolarHBondContact OE2-CD2 3.2Å; E209-R220 IonicContact OE1-CZ 3.26Å; E209-R220 IonicContact OE1-NH1 2.98Å; E209-R220 PolarHBondContact OE1-NH1 2.94Å; E209-R220 IonicContact OE1-NH2 3.99Å; E209-R220 PolarHBondContact OE1-NH2 3.49Å
210	S	91.8	Very high	90.5	Very high	87 Å²	87	52.2 Å²	52.2	61%	0.608	28%	0.279	S	S	*	.	S	Bend	trans	-92.8	-7.1	179.9	60.7	0	0	0	0	114.2	H198 L199	H198-S210 WeakPolarHBondContact CA-O 3.27Å; L199-S210 PolarHBondContact N-O 2.95Å
211	A	94.5	Very high	90.5	Very high	25 Å²	25	51 Å²	51	21%	0.207	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	145.2	177.6	0	0	0	0	0	110.6	V196 F197	V196-A211 HydrophobicContact CG1-CB 3.8Å; F197-A211 CarbonylContact O-C 3.59Å; F197-A211 WeakPolarHBondContact O-CA 3.36Å; F197-A211 WeakPolarHBondContact O-CB 3.36Å
212	L	94.2	Very high	90.5	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.01	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	151.4	-178.8	-70.4	176.9	0	0	0	110.8	F197 L199 E209 E216 I217	F197-L212 PolarHBondContact N-O 3.22Å; F197-L212 PolarHBondContact O-N 3.12Å; L199-L212 HydrophobicContact CD1-CD1 3.91Å; L199-L212 HydrophobicContact CD1-CG 4.12Å; L199-L212 HydrophobicContact CD2-CD1 4.4Å; E209-L212 HydrophobicContact CB-CD2 4.2Å; E209-L212 VanDerWaalsContact OE2-CD2 3.26Å; E209-L212 WeakPolarHBondContact OE2-CD2 3.2Å; L212-E216 HydrophobicContact CB-CB 4.49Å; L212-E216 HydrophobicContact CD1-CG 4.25Å; L212-E216 HydrophobicContact CD2-CG 4.05Å; L212-I217 HydrophobicContact CB-CD1 4.28Å; L212-I217 HydrophobicContact CB-CG1 3.67Å; L212-I217 HydrophobicContact CD1-CG1 4.35Å
213	P	93.3	Very high	90.5	Very high	50 Å²	50	47.5 Å²	47.5	33%	0.325	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	143	164.4	-21.2	32.2	0	0	0	111.3	K195 V196 R215 E216 I217	K195-P213 CarbonylContact O-C 3.34Å; K195-P213 VanDerWaalsContact O-CA 3.29Å; K195-P213 WeakPolarHBondContact O-CA 3.5Å; V196-P213 HydrophobicContact CG2-CG 4.26Å; P213-R215 PolarHBondContact O-N 3.45Å; P213-E216 HydrophobicContact CB-CB 4.44Å; P213-E216 WeakPolarHBondContact O-CA 3.31Å; P213-E216 WeakPolarHBondContact O-CB 3.35Å; P213-E216 PolarHBondContact O-N 2.99Å; P213-I217 PolarHBondContact O-N 2.9Å
214	L	87.9	Confident	90.4	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-53.8	-38.8	179.3	175.9	59.3	0	0	0	112.7	V130 L133 L188 D192 L193 K195 F197 E216 I217 I218	V130-L214 HydrophobicContact CG2-CD1 3.93Å; L133-L214 HydrophobicContact CD2-CD1 3.91Å; L188-L214 HydrophobicContact CD1-CD1 4.46Å; L188-L214 HydrophobicContact CD1-CD2 4.26Å; L188-L214 HydrophobicContact CD2-CD2 4.24Å; D192-L214 HydrophobicContact CB-CD2 3.89Å; D192-L214 WeakPolarHBondContact O-CB 3.19Å; L193-L214 HydrophobicContact CD2-CD2 4.45Å; L193-L214 HydrophobicContact CD2-CG 4.36Å; L193-L214 PolarHBondContact O-N 2.73Å; K195-L214 PolarHBondContact O-N 3.04Å; F197-L214 HydrophobicContact CD2-CB 3.93Å; F197-L214 HydrophobicContact CE2-CB 3.8Å; F197-L214 HydrophobicContact CE2-CD2 4.36Å; L214-E216 VanDerWaalsContact C-N 3.27Å; L214-E216 PolarHBondContact O-N 2.71Å; L214-I217 WeakPolarHBondContact O-CB 3.48Å; L214-I217 PolarHBondContact O-N 2.89Å; L214-I218 HydrophobicContact CD1-CD1 3.98Å; L214-I218 HydrophobicContact CD1-CG1 4.18Å; L214-I218 HydrophobicContact CG-CD1 3.88Å; L214-I218 WeakPolarHBondContact O-CG1 3.36Å; L214-I218 PolarHBondContact O-N 2.97Å
215	R	87.3	Confident	90.3	Very high	114 Å²	114	44.3 Å²	44.3	43%	0.43	23%	0.229	S	C	.	.	H	α-helix	trans	-55.1	-43.2	173.7	-172.5	-173.6	-55.8	-80.3	0.5	112.1	L193 D194 P213 R219	L193-R215 HydrophobicContact CB-CB 4.28Å; L193-R215 VanDerWaalsContact O-CB 3.32Å; L193-R215 WeakPolarHBondContact O-CB 3.36Å; L193-R215 PolarHBondContact O-N 2.86Å; D194-R215 IonicContact OD1-CZ 3.96Å; D194-R215 IonicContact OD1-NE 3.33Å; D194-R215 PolarHBondContact OD1-NE 2.75Å; D194-R215 IonicContact OD1-NH2 2.6Å; D194-R215 PolarHBondContact OD1-NH2 3.25Å; D194-R215 IonicContact OD2-NH2 3.91Å; D194-R215 PolarHBondContact OD2-NH2 3.41Å; P213-R215 PolarHBondContact O-N 3.45Å; R215-R219 WeakPolarHBondContact O-CB 3.39Å; R215-R219 PolarHBondContact O-N 3.2Å
216	E	89.5	Confident	90	Very high	42 Å²	42	44.5 Å²	44.5	20%	0.196	23%	0.231	C	C	.	.	H	α-helix	trans	-75.2	-37	-179.9	-175.7	59	-167.6	0	0	111.5	L212 P213 L214 R219 R220	L212-E216 HydrophobicContact CB-CB 4.49Å; L212-E216 HydrophobicContact CD1-CG 4.25Å; L212-E216 HydrophobicContact CD2-CG 4.05Å; P213-E216 HydrophobicContact CB-CB 4.44Å; P213-E216 WeakPolarHBondContact O-CA 3.31Å; P213-E216 WeakPolarHBondContact O-CB 3.35Å; P213-E216 PolarHBondContact O-N 2.99Å; L214-E216 VanDerWaalsContact C-N 3.27Å; L214-E216 PolarHBondContact O-N 2.71Å; E216-R219 PolarHBondContact O-N 3.03Å; E216-R219 IonicContact OE1-CZ 3.86Å; E216-R219 IonicContact OE1-NE 3.54Å; E216-R219 PolarHBondContact OE1-NE 3.07Å; E216-R219 IonicContact OE1-NH2 3.86Å; E216-R219 PolarHBondContact OE1-NH2 2.68Å; E216-R219 IonicContact OE2-CZ 3.68Å; E216-R219 IonicContact OE2-NE 2.9Å; E216-R219 PolarHBondContact OE2-NE 2.94Å; E216-R219 IonicContact OE2-NH2 2.69Å; E216-R220 HydrophobicContact CG-CG 4.43Å; E216-R220 WeakPolarHBondContact O-CB 3.37Å; E216-R220 WeakPolarHBondContact O-CG 3.37Å; E216-R220 PolarHBondContact O-N 3.48Å; E216-R220 WeakPolarHBondContact OE1-CG 3.24Å; E216-R220 IonicContact OE1-CZ 3.61Å; E216-R220 IonicContact OE1-NE 3.67Å; E216-R220 PolarHBondContact OE1-NE 3.23Å; E216-R220 IonicContact OE1-NH2 3.6Å; E216-R220 PolarHBondContact OE1-NH2 3.13Å
217	I	90.4	Very high	90	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-55.5	-53.1	171.6	-66.7	177	0	0	0	110.1	V130 I134 F197 L199 I205 L212 P213 L214 R219 R220 L221	V130-I217 HydrophobicContact CG1-CD1 3.84Å; V130-I217 HydrophobicContact CG1-CG2 4.48Å; I134-I217 HydrophobicContact CD1-CG2 4.45Å; I134-I217 HydrophobicContact CG1-CG2 4.14Å; F197-I217 HydrophobicContact CB-CD1 3.97Å; L199-I217 HydrophobicContact CD2-CD1 3.71Å; L199-I217 HydrophobicContact CD2-CG1 3.84Å; I205-I217 HydrophobicContact CD1-CB 4.33Å; I205-I217 HydrophobicContact CD1-CG1 4.43Å; I205-I217 HydrophobicContact CD1-CG2 3.79Å; L212-I217 HydrophobicContact CB-CD1 4.28Å; L212-I217 HydrophobicContact CB-CG1 3.67Å; L212-I217 HydrophobicContact CD1-CG1 4.35Å; P213-I217 PolarHBondContact O-N 2.9Å; L214-I217 WeakPolarHBondContact O-CB 3.48Å; L214-I217 PolarHBondContact O-N 2.89Å; I217-R219 PolarHBondContact O-N 3.24Å; I217-R220 PolarHBondContact O-N 2.89Å; I217-L221 HydrophobicContact CG2-CD1 3.72Å; I217-L221 HydrophobicContact CG2-CG 4.44Å; I217-L221 WeakPolarHBondContact O-CB 3.36Å; I217-L221 VanDerWaalsContact O-CG 3.25Å; I217-L221 WeakPolarHBondContact O-CG 3.32Å; I217-L221 PolarHBondContact O-N 2.83Å
218	I	86.9	Confident	90.2	Very high	7 Å²	7	48.4 Å²	48.4	4%	0.036	24%	0.237	C	C	.	.	H	α-helix	trans	-59.3	-49.2	178.4	-67.8	159.4	0	0	0	110.3	L133 F173 L193 L214 R220 L221 E222	L133-I218 HydrophobicContact CD2-CD1 4.43Å; L133-I218 HydrophobicContact CD2-CG1 3.95Å; F173-I218 HydrophobicContact CD2-CD1 4.24Å; F173-I218 HydrophobicContact CE2-CD1 3.61Å; L193-I218 HydrophobicContact CD2-CD1 3.82Å; L214-I218 HydrophobicContact CD1-CD1 3.98Å; L214-I218 HydrophobicContact CD1-CG1 4.18Å; L214-I218 HydrophobicContact CG-CD1 3.88Å; L214-I218 WeakPolarHBondContact O-CG1 3.36Å; L214-I218 PolarHBondContact O-N 2.97Å; I218-R220 VanDerWaalsContact C-N 3.32Å; I218-R220 PolarHBondContact O-N 2.99Å; I218-L221 PolarHBondContact O-N 3.03Å; I218-E222 HydrophobicContact CG2-CG 4.16Å; I218-E222 WeakPolarHBondContact O-CB 3.4Å; I218-E222 VanDerWaalsContact O-CG 3.32Å; I218-E222 WeakPolarHBondContact O-CG 3.48Å; I218-E222 PolarHBondContact O-N 3.33Å
219	R	88	Confident	90.6	Very high	112 Å²	112	39.7 Å²	39.7	42%	0.423	20%	0.196	S	C	.	.	H	α-helix	trans	-56.1	-45.7	179.9	-167.9	-168.1	73.2	79.2	2.7	111.8	R215 E216 I217 E222 M223	R215-R219 WeakPolarHBondContact O-CB 3.39Å; R215-R219 PolarHBondContact O-N 3.2Å; E216-R219 PolarHBondContact O-N 3.03Å; E216-R219 IonicContact OE1-CZ 3.86Å; E216-R219 IonicContact OE1-NE 3.54Å; E216-R219 PolarHBondContact OE1-NE 3.07Å; E216-R219 IonicContact OE1-NH2 3.86Å; E216-R219 PolarHBondContact OE1-NH2 2.68Å; E216-R219 IonicContact OE2-CZ 3.68Å; E216-R219 IonicContact OE2-NE 2.9Å; E216-R219 PolarHBondContact OE2-NE 2.94Å; E216-R219 IonicContact OE2-NH2 2.69Å; I217-R219 PolarHBondContact O-N 3.24Å; R219-E222 PolarHBondContact O-N 2.99Å; R219-M223 PolarHBondContact NH1-SD 3.44Å; R219-M223 WeakPolarHBondContact O-CG 3.48Å; R219-M223 PolarHBondContact O-N 3.46Å
220	R	91.4	Very high	90.8	Very high	29 Å²	29	34.9 Å²	34.9	11%	0.109	17%	0.174	C	C	.	.	H	α-helix	trans	-70.2	-38.7	-179.7	-66.5	-170.1	-169.2	-174.2	6.3	112.5	I205 G206 E209 E216 I217 I218 M223 A224	I205-R220 HydrophobicContact CB-CB 3.95Å; I205-R220 HydrophobicContact CG2-CB 4.26Å; I205-R220 WeakPolarHBondContact O-CD 3.43Å; I205-R220 PolarHBondContact O-NH1 3.28Å; G206-R220 PolarHBondContact O-NH1 3.31Å; E209-R220 IonicContact OE1-CZ 3.26Å; E209-R220 IonicContact OE1-NH1 2.98Å; E209-R220 PolarHBondContact OE1-NH1 2.94Å; E209-R220 IonicContact OE1-NH2 3.99Å; E209-R220 PolarHBondContact OE1-NH2 3.49Å; E216-R220 HydrophobicContact CG-CG 4.43Å; E216-R220 WeakPolarHBondContact O-CB 3.37Å; E216-R220 WeakPolarHBondContact O-CG 3.37Å; E216-R220 PolarHBondContact O-N 3.48Å; E216-R220 WeakPolarHBondContact OE1-CG 3.24Å; E216-R220 IonicContact OE1-CZ 3.61Å; E216-R220 IonicContact OE1-NE 3.67Å; E216-R220 PolarHBondContact OE1-NE 3.23Å; E216-R220 IonicContact OE1-NH2 3.6Å; E216-R220 PolarHBondContact OE1-NH2 3.13Å; I217-R220 PolarHBondContact O-N 2.89Å; I218-R220 VanDerWaalsContact C-N 3.32Å; I218-R220 PolarHBondContact O-N 2.99Å; R220-M223 HydrophobicContact CG-CE 4.22Å; R220-M223 PolarHBondContact O-N 3.22Å; R220-A224 WeakPolarHBondContact O-CB 3.36Å; R220-A224 PolarHBondContact O-N 2.88Å
221	L	89.9	Confident	91	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-63.5	-41.2	172.7	-69.5	167.4	0	0	0	111.9	I134 Y137 I205 I217 I218 M223 A224 Y225	I134-L221 HydrophobicContact CB-CD1 4.41Å; I134-L221 HydrophobicContact CG1-CD1 3.87Å; I134-L221 HydrophobicContact CG1-CD2 4.44Å; I134-L221 HydrophobicContact CG2-CD2 4.26Å; Y137-L221 HydrophobicContact CD1-CB 3.94Å; Y137-L221 HydrophobicContact CD2-CB 3.95Å; Y137-L221 HydrophobicContact CD2-CD1 3.64Å; Y137-L221 HydrophobicContact CD2-CG 4.35Å; Y137-L221 HydrophobicContact CE1-CB 4.38Å; Y137-L221 HydrophobicContact CE2-CB 4.37Å; Y137-L221 HydrophobicContact CE2-CD1 4.19Å; Y137-L221 HydrophobicContact CG-CB 3.72Å; Y137-L221 HydrophobicContact CG-CD1 4.12Å; Y137-L221 HydrophobicContact CG-CG 4.36Å; I205-L221 HydrophobicContact CD1-CD2 4.16Å; I205-L221 HydrophobicContact CD1-CG 4.02Å; I205-L221 HydrophobicContact CG2-CD2 3.87Å; I205-L221 HydrophobicContact CG2-CG 4.32Å; I217-L221 HydrophobicContact CG2-CD1 3.72Å; I217-L221 HydrophobicContact CG2-CG 4.44Å; I217-L221 WeakPolarHBondContact O-CB 3.36Å; I217-L221 VanDerWaalsContact O-CG 3.25Å; I217-L221 WeakPolarHBondContact O-CG 3.32Å; I217-L221 PolarHBondContact O-N 2.83Å; I218-L221 PolarHBondContact O-N 3.03Å; L221-M223 VanDerWaalsContact C-N 3.34Å; L221-A224 PolarHBondContact O-N 3.04Å; L221-Y225 HydrophobicContact CD2-CD2 4.31Å; L221-Y225 HydrophobicContact CD2-CE2 4.26Å; L221-Y225 PolarHBondContact O-N 2.93Å
222	E	86.4	Confident	91.2	Very high	18 Å²	18	30 Å²	30	8%	0.084	14%	0.137	C	C	.	.	H	α-helix	trans	-65.9	-36.2	175.6	-74	-172.9	173	0	0	112.2	Y137 R176 I218 R219 C226 Q227	Y137-E222 HydrophobicContact CE1-CG 3.78Å; R176-E222 IonicContact CZ-OE1 3.46Å; R176-E222 IonicContact NH1-OE1 2.75Å; R176-E222 PolarHBondContact NH1-OE1 3.25Å; R176-E222 IonicContact NH1-OE2 2.87Å; R176-E222 PolarHBondContact NH1-OE2 3.34Å; I218-E222 HydrophobicContact CG2-CG 4.16Å; I218-E222 WeakPolarHBondContact O-CB 3.4Å; I218-E222 VanDerWaalsContact O-CG 3.32Å; I218-E222 WeakPolarHBondContact O-CG 3.48Å; I218-E222 PolarHBondContact O-N 3.33Å; R219-E222 PolarHBondContact O-N 2.99Å; E222-C226 HydrophobicContact CB-CB 4.45Å; E222-C226 CarbonylContact O-C 2.94Å; E222-C226 WeakPolarHBondContact O-CA 3.39Å; E222-C226 WeakPolarHBondContact O-CB 3.13Å; E222-C226 PolarHBondContact O-N 3.22Å; E222-C226 VanDerWaalsContact O-N 3.08Å; E222-Q227 WeakPolarHBondContact O-CG 3.46Å; E222-Q227 PolarHBondContact O-N 3.35Å; E222-Q227 PolarHBondContact O-NE2 3.08Å; E222-Q227 VanDerWaalsContact O-NE2 3.11Å
223	M	87.9	Confident	91.3	Very high	89 Å²	89	29.9 Å²	29.9	44%	0.438	14%	0.137	S	C	.	.	H	α-helix	trans	-64.3	-42.6	171.8	-73.9	-164.5	-43.4	0	0	112	R219 R220 L221	R219-M223 PolarHBondContact NH1-SD 3.44Å; R219-M223 WeakPolarHBondContact O-CG 3.48Å; R219-M223 PolarHBondContact O-N 3.46Å; R220-M223 HydrophobicContact CG-CE 4.22Å; R220-M223 PolarHBondContact O-N 3.22Å; L221-M223 VanDerWaalsContact C-N 3.34Å
224	A	91.1	Very high	91.4	Very high	9 Å²	9	30 Å²	30	7%	0.074	13%	0.133	C	C	.	.	H	α-helix	trans	-73.4	-39.7	-176	0	0	0	0	0	113.3	R220 L221 F249 E250	R220-A224 WeakPolarHBondContact O-CB 3.36Å; R220-A224 PolarHBondContact O-N 2.88Å; L221-A224 PolarHBondContact O-N 3.04Å; A224-F249 WeakPolarHBondContact CB-O 3.34Å; A224-E250 HydrophobicContact CB-CG 4.42Å
225	Y	90.9	Very high	91.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-120.2	-11.6	-166.5	-65.2	-63.4	0	0	0	115.7	Q138 G141 H142 L221 I229 V231 F233 E250	Q138-Y225 HydrophobicContact CG-CE2 3.82Å; G141-Y225 CarbonylContact C-O 3.52Å; G141-Y225 VanDerWaalsContact O-O 3.1Å; H142-Y225 PolarHBondContact N-O 3.14Å; L221-Y225 HydrophobicContact CD2-CD2 4.31Å; L221-Y225 HydrophobicContact CD2-CE2 4.26Å; L221-Y225 PolarHBondContact O-N 2.93Å; Y225-I229 CarbonylContact C-O 3.44Å; Y225-V231 HydrophobicContact CD1-CB 4.17Å; Y225-V231 HydrophobicContact CD1-CG2 4.29Å; Y225-V231 HydrophobicContact CE1-CB 4.15Å; Y225-V231 HydrophobicContact CE1-CG2 4.39Å; Y225-F233 AromaticContact CE1-CE1 3.94Å; Y225-F233 HydrophobicContact CE1-CE1 3.94Å; Y225-E250 HydrophobicContact CE2-CG 3.76Å; Y225-E250 WeakPolarHBondContact CE2-OE1 3.47Å; Y225-E250 VanDerWaalsContact OH-CD 3.32Å; Y225-E250 WeakPolarHBondContact OH-CG 3.23Å; Y225-E250 PolarHBondContact OH-OE1 2.89Å
226	C	88.3	Confident	92.2	Very high	4 Å²	4	27.3 Å²	27.3	3%	0.027	13%	0.125	C	C	.	.	S	Bend	trans	-127.9	4.2	-167.8	-50.9	0	0	0	0	114.8	Y137 I144 A145 E222	Y137-C226 VanDerWaalsContact CD1-SG 3.55Å; Y137-C226 VanDerWaalsContact CE1-SG 3.54Å; I144-C226 HydrophobicContact CD1-CB 4.3Å; I144-C226 HydrophobicContact CG1-CB 4.1Å; A145-C226 WeakPolarHBondContact CA-O 3.4Å; E222-C226 HydrophobicContact CB-CB 4.45Å; E222-C226 CarbonylContact O-C 2.94Å; E222-C226 WeakPolarHBondContact O-CA 3.39Å; E222-C226 WeakPolarHBondContact O-CB 3.13Å; E222-C226 PolarHBondContact O-N 3.22Å; E222-C226 VanDerWaalsContact O-N 3.08Å
227	Q	90.3	Very high	92.4	Very high	62 Å²	62	32.1 Å²	32.1	29%	0.29	15%	0.152	S	C	.	.	S	Bend	trans	-88.8	-135.6	174.3	-57.2	-51.9	-44.4	0	0	110.5	A145 K146 E222 I229	A145-Q227 CarbonylContact C-O 3.09Å; K146-Q227 WeakPolarHBondContact CA-O 3.35Å; K146-Q227 PolarHBondContact N-O 2.88Å; E222-Q227 WeakPolarHBondContact O-CG 3.46Å; E222-Q227 PolarHBondContact O-N 3.35Å; E222-Q227 PolarHBondContact O-NE2 3.08Å; E222-Q227 VanDerWaalsContact O-NE2 3.11Å; Q227-I229 PolarHBondContact O-N 2.82Å
228	H	94.7	Very high	92.7	Very high	67 Å²	67	35 Å²	35	31%	0.31	17%	0.167	S	C	.	.	S	Bend	trans	-78.3	1	-178.7	-62.2	161.1	0	0	0	113.8	K146 V486 N487 D490 A493	K146-H228 PolarHBondContact O-CD2 2.79Å; H228-V486 WeakPolarHBondContact O-CA 3.45Å; H228-N487 HydrophobicContact CB-CB 3.94Å; H228-N487 PolarHBondContact O-N 3.16Å; H228-D490 HydrophobicContact CB-CB 4.03Å; H228-D490 IonicContact CE1-OD2 2.75Å; H228-D490 IonicContact CG-OD2 3.85Å; H228-D490 WeakPolarHBondContact ND1-CB 3.2Å; H228-D490 IonicContact ND1-OD2 2.76Å; H228-D490 PolarHBondContact ND1-OD2 3.24Å; H228-A493 HydrophobicContact CB-CB 4.32Å
229	I	96.6	Very high	93.1	Very high	16 Å²	16	39.8 Å²	39.8	8%	0.082	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	131.6	175.3	-57.5	171.9	0	0	0	108.4	Y225 Q227 V231 F249 M255 H485 V486 A493 Y496 V497	Y225-I229 CarbonylContact C-O 3.44Å; Q227-I229 PolarHBondContact O-N 2.82Å; I229-V231 HydrophobicContact CG2-CG2 3.89Å; I229-F249 HydrophobicContact CG2-CD1 4.16Å; I229-F249 HydrophobicContact CG2-CE1 3.84Å; I229-M255 HydrophobicContact CD1-SD 4.13Å; I229-H485 CarbonylContact C-O 3.56Å; I229-H485 WeakPolarHBondContact CA-O 3.27Å; I229-V486 HydrophobicContact CG1-CG2 4.24Å; I229-A493 HydrophobicContact CD1-CB 4.03Å; I229-A493 HydrophobicContact CG1-CB 3.88Å; I229-Y496 HydrophobicContact CD1-CD1 4.2Å; I229-V497 HydrophobicContact CD1-CG2 3.84Å; I229-V497 HydrophobicContact CG1-CG2 3.95Å; I229-V497 HydrophobicContact CG2-CG2 3.84Å
230	G	95.1	Very high	93.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	131.6	169.2	0	0	0	0	0	109.2	H485	G230-H485 PolarHBondContact N-O 2.75Å; G230-H485 PolarHBondContact O-N 3.11Å
231	V	97.3	Very high	93.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	118.7	-172.9	-170	0	0	0	0	109.3	Y225 I229 F233 I245 F249 F484	Y225-V231 HydrophobicContact CD1-CB 4.17Å; Y225-V231 HydrophobicContact CD1-CG2 4.29Å; Y225-V231 HydrophobicContact CE1-CB 4.15Å; Y225-V231 HydrophobicContact CE1-CG2 4.39Å; I229-V231 HydrophobicContact CG2-CG2 3.89Å; V231-F233 HydrophobicContact CB-CD1 4.38Å; V231-F233 HydrophobicContact CG1-CD1 3.64Å; V231-F233 HydrophobicContact CG1-CE1 4.24Å; V231-F233 HydrophobicContact CG1-CG 4.44Å; V231-I245 HydrophobicContact CG1-CG2 3.67Å; V231-F249 HydrophobicContact CG1-CD2 4Å; V231-F249 HydrophobicContact CG1-CE2 4.11Å; V231-F249 HydrophobicContact CG2-CB 4.28Å; V231-F249 HydrophobicContact CG2-CD1 3.72Å; V231-F249 HydrophobicContact CG2-CD2 4.02Å; V231-F249 HydrophobicContact CG2-CE1 4Å; V231-F249 HydrophobicContact CG2-CE2 4.27Å; V231-F249 HydrophobicContact CG2-CG 3.73Å; V231-F249 HydrophobicContact CG2-CZ 4.26Å; V231-F484 HydrophobicContact CG1-CD1 3.81Å; V231-F484 HydrophobicContact CG1-CE1 3.78Å
232	E	97	Very high	94.1	Very high	9 Å²	9	40.2 Å²	40.2	4%	0.042	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	113.4	172.2	-58.8	-160.8	-108.9	0	0	110.8	H142 F235 Y471 R477 I483 H485	H142-E232 HydrophobicContact CB-CG 4.22Å; H142-E232 IonicContact CE1-OE1 2.91Å; H142-E232 IonicContact CE1-OE2 2.69Å; H142-E232 PolarHBondContact CE1-OE2 3.06Å; H142-E232 VanDerWaalsContact ND1-CD 3.34Å; H142-E232 VanDerWaalsContact ND1-CG 3.28Å; H142-E232 WeakPolarHBondContact ND1-CG 3.45Å; H142-E232 IonicContact ND1-OE1 3.2Å; H142-E232 IonicContact ND1-OE2 2.76Å; H142-E232 IonicContact NE2-OE2 3.73Å; E232-F235 HydrophobicContact CB-CE1 3.87Å; E232-Y471 WeakPolarHBondContact OE1-CD2 3.49Å; E232-Y471 VanDerWaalsContact OE1-CE2 3.27Å; E232-Y471 WeakPolarHBondContact OE1-CE2 3.26Å; E232-R477 IonicContact OE1-NH2 3.23Å; E232-R477 PolarHBondContact OE1-NH2 2.7Å; E232-R477 IonicContact OE2-CZ 2.76Å; E232-R477 VanDerWaalsContact OE2-CZ 3.32Å; E232-R477 IonicContact OE2-NH1 2.65Å; E232-R477 IonicContact OE2-NH2 3.35Å; E232-R477 PolarHBondContact OE2-NH2 3.08Å; E232-I483 HydrophobicContact CB-CB 4.21Å; E232-I483 PolarHBondContact N-O 3.36Å; E232-I483 PolarHBondContact O-N 3.05Å; E232-H485 IonicContact OE1-CE1 2.84Å; E232-H485 IonicContact OE1-NE2 3.33Å; E232-H485 PolarHBondContact OE1-NE2 2.86Å
233	F	97.3	Very high	94.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.214	C	C	.	.			trans	-152	-13.7	-176.5	72.7	-77.4	0	0	0	114.1	Q138 Y225 V231 F235 I236 C242 I245 R246	Q138-F233 HydrophobicContact CB-CZ 4.32Å; Y225-F233 AromaticContact CE1-CE1 3.94Å; Y225-F233 HydrophobicContact CE1-CE1 3.94Å; V231-F233 HydrophobicContact CB-CD1 4.38Å; V231-F233 HydrophobicContact CG1-CD1 3.64Å; V231-F233 HydrophobicContact CG1-CE1 4.24Å; V231-F233 HydrophobicContact CG1-CG 4.44Å; F233-F235 PolarHBondContact O-N 3.45Å; F233-I236 HydrophobicContact CB-CD1 4.01Å; F233-I236 WeakPolarHBondContact O-CB 3.19Å; F233-I236 WeakPolarHBondContact O-CG1 3.19Å; F233-I236 PolarHBondContact O-N 3.01Å; F233-C242 HydrophobicContact CD2-CB 4.15Å; F233-C242 HydrophobicContact CE2-CB 4.14Å; F233-I245 HydrophobicContact CB-CD1 3.51Å; F233-I245 HydrophobicContact CB-CG2 4.08Å; F233-I245 HydrophobicContact CD1-CG2 3.83Å; F233-I245 HydrophobicContact CD2-CB 4.04Å; F233-I245 HydrophobicContact CD2-CD1 4.19Å; F233-I245 HydrophobicContact CD2-CG2 3.93Å; F233-I245 HydrophobicContact CE1-CG2 4.23Å; F233-I245 HydrophobicContact CE2-CB 4.43Å; F233-I245 HydrophobicContact CE2-CG2 4.3Å; F233-I245 HydrophobicContact CG-CB 4.22Å; F233-I245 HydrophobicContact CG-CD1 4.07Å; F233-I245 HydrophobicContact CG-CG2 3.66Å; F233-I245 HydrophobicContact CZ-CG2 4.44Å; F233-R246 HydrophobicContact CE2-CG 3.78Å; F233-R246 HydrophobicContact CZ-CG 3.64Å
234	M	95.6	Very high	95.1	Very high	52 Å²	52	40.3 Å²	40.3	26%	0.256	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-6.7	-174.2	-71.3	-64.9	-65.3	0	0	114.1	Q138 V139 I236 R246	Q138-M234 HydrophobicContact CB-CG 4.11Å; Q138-M234 HydrophobicContact CB-SD 4.07Å; Q138-M234 VanDerWaalsContact O-CG 3.27Å; Q138-M234 WeakPolarHBondContact O-CG 3.47Å; V139-M234 HydrophobicContact CB-CG 4.49Å; V139-M234 HydrophobicContact CG2-CB 3.91Å; V139-M234 HydrophobicContact CG2-CE 3.98Å; V139-M234 HydrophobicContact CG2-CG 3.81Å; M234-I236 VanDerWaalsContact C-N 3.33Å; M234-R246 PolarHBondContact SD-NH2 3.24Å
235	F	95.3	Very high	95.4	Very high	47 Å²	47	39.9 Å²	39.9	21%	0.206	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-12	168.6	55.9	-105.8	0	0	0	113.2	E232 F233 N237 R477 N480 A481 I483	E232-F235 HydrophobicContact CB-CE1 3.87Å; F233-F235 PolarHBondContact O-N 3.45Å; F235-N237 PolarHBondContact O-N 2.81Å; F235-R477 HydrophobicContact CD1-CG 4.37Å; F235-R477 HydrophobicContact CE1-CG 4.03Å; F235-R477 HydrophobicContact CE2-CG 4.49Å; F235-R477 HydrophobicContact CZ-CG 4.12Å; F235-N480 HydrophobicContact CD2-CB 4.31Å; F235-N480 HydrophobicContact CE2-CB 4.44Å; F235-N480 PolarHBondContact O-OD1 3.37Å; F235-A481 WeakPolarHBondContact CE2-O 3.07Å; F235-A481 VanDerWaalsContact CZ-O 3.25Å; F235-A481 WeakPolarHBondContact CZ-O 3.3Å; F235-I483 HydrophobicContact CZ-CD1 4.39Å; F235-I483 HydrophobicContact CZ-CG1 4.43Å
236	I	96.6	Very high	95.7	Very high	10 Å²	10	40.6 Å²	40.6	5%	0.051	20%	0.199	C	C	.	.			trans	-69.7	126.8	178.3	-60.9	174.9	0	0	0	108.9	F233 M234 D238 Q241 C242 I245 N480 P482 W504	F233-I236 HydrophobicContact CB-CD1 4.01Å; F233-I236 WeakPolarHBondContact O-CB 3.19Å; F233-I236 WeakPolarHBondContact O-CG1 3.19Å; F233-I236 PolarHBondContact O-N 3.01Å; M234-I236 VanDerWaalsContact C-N 3.33Å; I236-D238 VanDerWaalsContact C-N 3.31Å; I236-D238 HydrophobicContact CG2-CB 4.08Å; I236-D238 PolarHBondContact O-N 3.39Å; I236-Q241 HydrophobicContact CG2-CB 4.04Å; I236-C242 PolarHBondContact O-SG 2.96Å; I236-C242 VanDerWaalsContact O-SG 3.41Å; I236-I245 HydrophobicContact CD1-CD1 3.94Å; I236-N480 HydrophobicContact CG1-CB 4.31Å; I236-N480 WeakPolarHBondContact CG1-O 3.3Å; I236-P482 HydrophobicContact CD1-CB 3.93Å; I236-P482 HydrophobicContact CD1-CG 4.34Å; I236-W504 HydrophobicContact CD1-CH2 4.03Å
237	N	93.9	Very high	96.1	Very high	144 Å²	144	45.3 Å²	45.3	77%	0.77	22%	0.22	S	C	*	.			trans	-74.5	-22.7	-177.4	-63.9	-43.3	0	0	0	113.3	F235	F235-N237 PolarHBondContact O-N 2.81Å
238	D	96.2	Very high	96.4	Very high	59 Å²	59	44.9 Å²	44.9	32%	0.316	22%	0.217	S	C	.	.			trans	-82.7	120.4	-176.8	-175.5	-53.1	0	0	0	111.3	I236 E240 Q241 C242	I236-D238 VanDerWaalsContact C-N 3.31Å; I236-D238 HydrophobicContact CG2-CB 4.08Å; I236-D238 PolarHBondContact O-N 3.39Å; D238-E240 WeakPolarHBondContact OD1-CA 3.42Å; D238-E240 WeakPolarHBondContact OD1-CB 3.36Å; D238-E240 PolarHBondContact OD1-N 3.28Å; D238-Q241 HydrophobicContact CB-CB 3.94Å; D238-Q241 VanDerWaalsContact CB-CD 3.49Å; D238-Q241 HydrophobicContact CB-CG 4.03Å; D238-Q241 VanDerWaalsContact CG-CD 3.42Å; D238-Q241 VanDerWaalsContact CG-NE2 3.28Å; D238-Q241 PolarHBondContact OD1-N 2.88Å; D238-Q241 PolarHBondContact OD2-NE2 3.49Å; D238-C242 PolarHBondContact O-N 3.32Å; D238-C242 VanDerWaalsContact O-N 3.11Å; D238-C242 PolarHBondContact O-SG 3.23Å
239	L	94.9	Very high	96.5	Very high	108 Å²	108	41.8 Å²	41.8	57%	0.565	20%	0.203	S	C	*	.	H	α-helix	trans	-69.6	-37.9	-176.8	179.6	63.7	0	0	0	112.7	C242 Q243	L239-C242 PolarHBondContact O-N 3Å; L239-Q243 HydrophobicContact CD1-CG 4.28Å; L239-Q243 HydrophobicContact CG-CG 4.41Å; L239-Q243 WeakPolarHBondContact O-CB 3.37Å; L239-Q243 WeakPolarHBondContact O-CG 3.34Å; L239-Q243 PolarHBondContact O-N 3.26Å
240	E	96.8	Very high	96.5	Very high	134 Å²	134	41.3 Å²	41.3	63%	0.626	20%	0.201	S	C	*	.	H	α-helix	trans	-66.5	-44.5	-179.1	-176.8	179.9	176.7	0	0	109.8	D238 C242 Q243 W244	D238-E240 WeakPolarHBondContact OD1-CA 3.42Å; D238-E240 WeakPolarHBondContact OD1-CB 3.36Å; D238-E240 PolarHBondContact OD1-N 3.28Å; E240-C242 PolarHBondContact O-N 3.42Å; E240-Q243 PolarHBondContact O-N 2.82Å; E240-W244 WeakPolarHBondContact O-CB 3.38Å; E240-W244 PolarHBondContact O-N 3.26Å
241	Q	97.4	Very high	96.5	Very high	9 Å²	9	43.4 Å²	43.4	4%	0.042	21%	0.213	C	C	.	.	H	α-helix	trans	-57.9	-46.2	172.7	-77	165.3	34	0	0	111.7	I236 D238 W244 I245 W504 F508 K510	I236-Q241 HydrophobicContact CG2-CB 4.04Å; D238-Q241 HydrophobicContact CB-CB 3.94Å; D238-Q241 VanDerWaalsContact CB-CD 3.49Å; D238-Q241 HydrophobicContact CB-CG 4.03Å; D238-Q241 VanDerWaalsContact CG-CD 3.42Å; D238-Q241 VanDerWaalsContact CG-NE2 3.28Å; D238-Q241 PolarHBondContact OD1-N 2.88Å; D238-Q241 PolarHBondContact OD2-NE2 3.49Å; Q241-W244 PolarHBondContact O-N 3.15Å; Q241-I245 WeakPolarHBondContact O-CG1 3.47Å; Q241-I245 PolarHBondContact O-N 3.04Å; Q241-W504 HydrophobicContact CB-CH2 3.66Å; Q241-W504 HydrophobicContact CB-CZ3 3.84Å; Q241-W504 HydrophobicContact CG-CH2 3.6Å; Q241-W504 HydrophobicContact CG-CZ3 3.95Å; Q241-F508 HydrophobicContact CB-CE1 4.46Å; Q241-F508 HydrophobicContact CB-CZ 4.41Å; Q241-F508 HydrophobicContact CG-CD1 3.52Å; Q241-F508 HydrophobicContact CG-CD2 4.22Å; Q241-F508 HydrophobicContact CG-CE1 3.49Å; Q241-F508 VanDerWaalsContact CG-CE1 3.49Å; Q241-F508 HydrophobicContact CG-CE2 4.18Å; Q241-F508 HydrophobicContact CG-CG 3.89Å; Q241-F508 HydrophobicContact CG-CZ 3.83Å; Q241-K510 VanDerWaalsContact NE2-NZ 3.12Å
242	C	97.4	Very high	96.2	Very high	8 Å²	8	46.1 Å²	46.1	5%	0.054	23%	0.231	C	C	.	.	H	α-helix	trans	-62.5	-43.6	176	-72	0	0	0	0	112.5	F233 I236 D238 L239 E240 I245 R246	F233-C242 HydrophobicContact CD2-CB 4.15Å; F233-C242 HydrophobicContact CE2-CB 4.14Å; I236-C242 PolarHBondContact O-SG 2.96Å; I236-C242 VanDerWaalsContact O-SG 3.41Å; D238-C242 PolarHBondContact O-N 3.32Å; D238-C242 VanDerWaalsContact O-N 3.11Å; D238-C242 PolarHBondContact O-SG 3.23Å; L239-C242 PolarHBondContact O-N 3Å; E240-C242 PolarHBondContact O-N 3.42Å; C242-I245 PolarHBondContact O-N 3.04Å; C242-R246 WeakPolarHBondContact O-CG 3.42Å; C242-R246 PolarHBondContact O-N 2.95Å
243	Q	96.5	Very high	95.8	Very high	73 Å²	73	47.6 Å²	47.6	34%	0.341	25%	0.249	S	C	.	.	H	α-helix	trans	-64.6	-40.7	177.9	-77.4	-179.9	-9.4	0	0	111.6	F204 L239 E240 I245 R246 Q247	F204-Q243 WeakPolarHBondContact CE2-O 3.33Å; L239-Q243 HydrophobicContact CD1-CG 4.28Å; L239-Q243 HydrophobicContact CG-CG 4.41Å; L239-Q243 WeakPolarHBondContact O-CB 3.37Å; L239-Q243 WeakPolarHBondContact O-CG 3.34Å; L239-Q243 PolarHBondContact O-N 3.26Å; E240-Q243 PolarHBondContact O-N 2.82Å; Q243-I245 PolarHBondContact O-N 3.11Å; Q243-R246 PolarHBondContact O-N 2.98Å; Q243-Q247 WeakPolarHBondContact O-CB 3.33Å; Q243-Q247 PolarHBondContact O-N 3.21Å
244	W	98	Very high	95.5	Very high	36 Å²	36	49.8 Å²	49.8	14%	0.136	26%	0.26	C	S	.	.	H	α-helix	trans	-60.1	-45.3	176.2	-173.9	100.3	0	0	0	111.4	E240 Q241 Q247 K248 V500 E503 W504 F508	E240-W244 WeakPolarHBondContact O-CB 3.38Å; E240-W244 PolarHBondContact O-N 3.26Å; Q241-W244 PolarHBondContact O-N 3.15Å; W244-Q247 WeakPolarHBondContact O-CB 3.05Å; W244-Q247 PolarHBondContact O-N 2.74Å; W244-K248 HydrophobicContact CD2-CG 4.07Å; W244-K248 HydrophobicContact CE3-CG 3.83Å; W244-K248 HydrophobicContact CH2-CD 4.31Å; W244-K248 HydrophobicContact CH2-CG 3.88Å; W244-K248 HydrophobicContact CZ2-CD 4.28Å; W244-K248 HydrophobicContact CZ2-CG 4.13Å; W244-K248 HydrophobicContact CZ3-CG 3.73Å; W244-K248 WeakPolarHBondContact O-CG 3.26Å; W244-K248 PolarHBondContact O-N 3.45Å; W244-V500 HydrophobicContact CH2-CG1 3.85Å; W244-V500 HydrophobicContact CZ3-CG1 3.74Å; W244-E503 HydrophobicContact CH2-CB 3.99Å; W244-E503 HydrophobicContact CZ2-CB 3.92Å; W244-W504 AromaticContact CE3-CE3 3.99Å; W244-W504 HydrophobicContact CE3-CE3 3.99Å; W244-W504 HydrophobicContact CH2-CB 4Å; W244-W504 HydrophobicContact CZ3-CB 4.07Å; W244-W504 AromaticContact CZ3-CE3 3.99Å; W244-W504 HydrophobicContact CZ3-CE3 3.99Å; W244-F508 HydrophobicContact CB-CE2 3.98Å; W244-F508 HydrophobicContact CB-CZ 3.76Å; W244-F508 AromaticContact CD1-CZ 3.98Å; W244-F508 AromaticContact CD2-CE2 3.69Å; W244-F508 HydrophobicContact CD2-CE2 3.69Å; W244-F508 HydrophobicContact CD2-CZ 4.3Å; W244-F508 HydrophobicContact CE3-CE2 4.05Å; W244-F508 AromaticContact CG-CE2 3.66Å; W244-F508 HydrophobicContact CG-CE2 3.66Å; W244-F508 AromaticContact CG-CZ 3.76Å; W244-F508 HydrophobicContact CG-CZ 3.76Å
245	I	98.1	Very high	95.2	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-62.9	-46.3	176.7	-67.8	171.3	0	0	0	110.5	V231 F233 I236 Q241 C242 Q243 Q247 K248 F249 P482 F484 W504	V231-I245 HydrophobicContact CG1-CG2 3.67Å; F233-I245 HydrophobicContact CB-CD1 3.51Å; F233-I245 HydrophobicContact CB-CG2 4.08Å; F233-I245 HydrophobicContact CD1-CG2 3.83Å; F233-I245 HydrophobicContact CD2-CB 4.04Å; F233-I245 HydrophobicContact CD2-CD1 4.19Å; F233-I245 HydrophobicContact CD2-CG2 3.93Å; F233-I245 HydrophobicContact CE1-CG2 4.23Å; F233-I245 HydrophobicContact CE2-CB 4.43Å; F233-I245 HydrophobicContact CE2-CG2 4.3Å; F233-I245 HydrophobicContact CG-CB 4.22Å; F233-I245 HydrophobicContact CG-CD1 4.07Å; F233-I245 HydrophobicContact CG-CG2 3.66Å; F233-I245 HydrophobicContact CZ-CG2 4.44Å; I236-I245 HydrophobicContact CD1-CD1 3.94Å; Q241-I245 WeakPolarHBondContact O-CG1 3.47Å; Q241-I245 PolarHBondContact O-N 3.04Å; C242-I245 PolarHBondContact O-N 3.04Å; Q243-I245 PolarHBondContact O-N 3.11Å; I245-Q247 VanDerWaalsContact C-N 3.29Å; I245-Q247 PolarHBondContact O-N 2.94Å; I245-K248 PolarHBondContact O-N 3.05Å; I245-K248 VanDerWaalsContact O-N 3.16Å; I245-F249 HydrophobicContact CG2-CD2 3.78Å; I245-F249 HydrophobicContact CG2-CE2 4.14Å; I245-F249 WeakPolarHBondContact O-CD2 3.46Å; I245-F249 PolarHBondContact O-N 2.92Å; I245-P482 HydrophobicContact CD1-CB 3.76Å; I245-P482 HydrophobicContact CD1-CG 4.27Å; I245-F484 HydrophobicContact CG2-CE1 4.4Å; I245-W504 HydrophobicContact CD1-CE3 4.14Å; I245-W504 HydrophobicContact CD1-CH2 4.23Å; I245-W504 HydrophobicContact CD1-CZ3 3.61Å; I245-W504 HydrophobicContact CG1-CE3 4.13Å; I245-W504 HydrophobicContact CG1-CZ3 3.88Å
246	R	97.2	Very high	95	Very high	15 Å²	15	56 Å²	56	6%	0.057	29%	0.29	C	S	.	.	H	α-helix	trans	-58	-43.7	175.3	-67.9	172.7	-170.5	133.6	8	111.3	T202 F204 F233 M234 C242 Q243 K248 F249 E250	T202-R246 VanDerWaalsContact O-CD 3.27Å; T202-R246 WeakPolarHBondContact O-CD 3.46Å; F204-R246 HydrophobicContact CD2-CB 3.67Å; F204-R246 HydrophobicContact CE2-CB 3.92Å; F233-R246 HydrophobicContact CE2-CG 3.78Å; F233-R246 HydrophobicContact CZ-CG 3.64Å; M234-R246 PolarHBondContact SD-NH2 3.24Å; C242-R246 WeakPolarHBondContact O-CG 3.42Å; C242-R246 PolarHBondContact O-N 2.95Å; Q243-R246 PolarHBondContact O-N 2.98Å; R246-K248 VanDerWaalsContact C-N 3.31Å; R246-K248 PolarHBondContact O-N 2.87Å; R246-F249 PolarHBondContact O-N 3.45Å; R246-E250 HydrophobicContact CB-CG 4.33Å; R246-E250 WeakPolarHBondContact O-CA 3.41Å; R246-E250 WeakPolarHBondContact O-CB 3.37Å; R246-E250 WeakPolarHBondContact O-CG 3.33Å; R246-E250 PolarHBondContact O-N 3.27Å
247	Q	96.3	Very high	94.9	Very high	102 Å²	102	57.3 Å²	57.3	48%	0.477	30%	0.295	S	S	.	.	H	α-helix	trans	-60.9	-42.5	177.9	-172.1	-179.8	10.7	0	0	111.3	F204 Q243 W244 I245 T251	F204-Q247 HydrophobicContact CD1-CB 4.41Å; F204-Q247 HydrophobicContact CD1-CG 4.33Å; F204-Q247 HydrophobicContact CD2-CB 4.11Å; F204-Q247 HydrophobicContact CE1-CB 4.39Å; F204-Q247 HydrophobicContact CE1-CG 4.43Å; F204-Q247 HydrophobicContact CE2-CB 4.08Å; F204-Q247 HydrophobicContact CG-CB 4.26Å; F204-Q247 HydrophobicContact CZ-CB 4.23Å; Q243-Q247 WeakPolarHBondContact O-CB 3.33Å; Q243-Q247 PolarHBondContact O-N 3.21Å; W244-Q247 WeakPolarHBondContact O-CB 3.05Å; W244-Q247 PolarHBondContact O-N 2.74Å; I245-Q247 VanDerWaalsContact C-N 3.29Å; I245-Q247 PolarHBondContact O-N 2.94Å; Q247-T251 WeakPolarHBondContact O-CB 3.4Å; Q247-T251 PolarHBondContact O-OG1 3.16Å
248	K	96.9	Very high	95	Very high	53 Å²	53	54.2 Å²	54.2	23%	0.23	28%	0.282	C	S	.	.	H	α-helix	trans	-62.8	-49.9	176.3	-67	-66.3	178.6	173.8	0	111.7	W244 I245 R246 I254 Y496 V500 E503	W244-K248 HydrophobicContact CD2-CG 4.07Å; W244-K248 HydrophobicContact CE3-CG 3.83Å; W244-K248 HydrophobicContact CH2-CD 4.31Å; W244-K248 HydrophobicContact CH2-CG 3.88Å; W244-K248 HydrophobicContact CZ2-CD 4.28Å; W244-K248 HydrophobicContact CZ2-CG 4.13Å; W244-K248 HydrophobicContact CZ3-CG 3.73Å; W244-K248 WeakPolarHBondContact O-CG 3.26Å; W244-K248 PolarHBondContact O-N 3.45Å; I245-K248 PolarHBondContact O-N 3.05Å; I245-K248 VanDerWaalsContact O-N 3.16Å; R246-K248 VanDerWaalsContact C-N 3.31Å; R246-K248 PolarHBondContact O-N 2.87Å; K248-I254 WeakPolarHBondContact O-CG2 3.34Å; K248-Y496 PolarHBondContact O-OH 3.14Å; K248-V500 HydrophobicContact CB-CG1 4.2Å; K248-V500 HydrophobicContact CB-CG2 4.34Å; K248-V500 HydrophobicContact CD-CG2 4.42Å; K248-V500 HydrophobicContact CG-CG1 4.19Å; K248-E503 WeakPolarHBondContact CE-OE2 3.49Å; K248-E503 IonicContact NZ-OE2 2.78Å; K248-E503 PolarHBondContact NZ-OE2 2.96Å
249	F	96.8	Very high	95	Very high	3 Å²	3	56.1 Å²	56.1	1%	0.013	29%	0.292	C	S	.	.	H	α-helix	trans	-92.4	-26.1	-170	-69.7	-80.7	0	0	0	115.8	A224 I229 V231 I245 R246 F484 Y496 V497 V500	A224-F249 WeakPolarHBondContact CB-O 3.34Å; I229-F249 HydrophobicContact CG2-CD1 4.16Å; I229-F249 HydrophobicContact CG2-CE1 3.84Å; V231-F249 HydrophobicContact CG1-CD2 4Å; V231-F249 HydrophobicContact CG1-CE2 4.11Å; V231-F249 HydrophobicContact CG2-CB 4.28Å; V231-F249 HydrophobicContact CG2-CD1 3.72Å; V231-F249 HydrophobicContact CG2-CD2 4.02Å; V231-F249 HydrophobicContact CG2-CE1 4Å; V231-F249 HydrophobicContact CG2-CE2 4.27Å; V231-F249 HydrophobicContact CG2-CG 3.73Å; V231-F249 HydrophobicContact CG2-CZ 4.26Å; I245-F249 HydrophobicContact CG2-CD2 3.78Å; I245-F249 HydrophobicContact CG2-CE2 4.14Å; I245-F249 WeakPolarHBondContact O-CD2 3.46Å; I245-F249 PolarHBondContact O-N 2.92Å; R246-F249 PolarHBondContact O-N 3.45Å; F249-F484 AromaticContact CE2-CD1 3.91Å; F249-F484 HydrophobicContact CE2-CD1 3.91Å; F249-F484 AromaticContact CE2-CE1 3.5Å; F249-F484 HydrophobicContact CE2-CE1 3.5Å; F249-F484 HydrophobicContact CE2-CE2 4.5Å; F249-F484 AromaticContact CE2-CZ 3.84Å; F249-F484 HydrophobicContact CE2-CZ 3.84Å; F249-F484 AromaticContact CZ-CD1 3.81Å; F249-F484 HydrophobicContact CZ-CD1 3.81Å; F249-F484 HydrophobicContact CZ-CD2 4.42Å; F249-F484 AromaticContact CZ-CE1 3.86Å; F249-F484 HydrophobicContact CZ-CE1 3.86Å; F249-F484 HydrophobicContact CZ-CE2 4.45Å; F249-F484 HydrophobicContact CZ-CG 4.12Å; F249-F484 HydrophobicContact CZ-CZ 4.19Å; F249-Y496 AromaticContact CD1-CE1 3.99Å; F249-Y496 HydrophobicContact CD1-CE1 3.99Å; F249-Y496 HydrophobicContact CE1-CD1 4.18Å; F249-Y496 AromaticContact CE1-CE1 3.83Å; F249-Y496 HydrophobicContact CE1-CE1 3.83Å; F249-V497 HydrophobicContact CE1-CG2 4.26Å; F249-V500 HydrophobicContact CE2-CG1 3.79Å; F249-V500 HydrophobicContact CZ-CB 4.26Å; F249-V500 HydrophobicContact CZ-CG1 3.91Å; F249-V500 HydrophobicContact CZ-CG2 4.42Å
250	E	96.4	Very high	94.9	Very high	6 Å²	6	58.1 Å²	58.1	3%	0.028	30%	0.298	C	S	.	.	H	α-helix	trans	-90.5	-21	-176.9	-61.1	-177.4	158.4	0	0	113.1	Q138 T203 F204 I205 A224 Y225 R246	Q138-E250 WeakPolarHBondContact CG-OE1 3.24Å; Q138-E250 PolarHBondContact NE2-OE1 3.26Å; T203-E250 WeakPolarHBondContact CA-OE2 3.33Å; T203-E250 WeakPolarHBondContact CB-OE2 3.49Å; T203-E250 PolarHBondContact OG1-OE1 3.09Å; T203-E250 PolarHBondContact OG1-OE2 2.75Å; F204-E250 HydrophobicContact CB-CB 4.12Å; F204-E250 PolarHBondContact N-OE2 3.36Å; I205-E250 WeakPolarHBondContact CA-O 3.3Å; I205-E250 HydrophobicContact CG2-CB 3.8Å; I205-E250 HydrophobicContact CG2-CG 4.11Å; A224-E250 HydrophobicContact CB-CG 4.42Å; Y225-E250 HydrophobicContact CE2-CG 3.76Å; Y225-E250 WeakPolarHBondContact CE2-OE1 3.47Å; Y225-E250 VanDerWaalsContact OH-CD 3.32Å; Y225-E250 WeakPolarHBondContact OH-CG 3.23Å; Y225-E250 PolarHBondContact OH-OE1 2.89Å; R246-E250 HydrophobicContact CB-CG 4.33Å; R246-E250 WeakPolarHBondContact O-CA 3.41Å; R246-E250 WeakPolarHBondContact O-CB 3.37Å; R246-E250 WeakPolarHBondContact O-CG 3.33Å; R246-E250 PolarHBondContact O-N 3.27Å
251	T	94.8	Very high	94.8	Very high	44 Å²	44	56 Å²	56	27%	0.27	29%	0.288	S	S	.	.	S	Bend	trans	-64.4	128.5	-175.5	-66.4	0	0	0	0	110.4	Q247 G253 I254	Q247-T251 WeakPolarHBondContact O-CB 3.4Å; Q247-T251 PolarHBondContact O-OG1 3.16Å; T251-G253 PolarHBondContact O-N 3.22Å; T251-I254 HydrophobicContact CG2-CG2 4.44Å; T251-I254 WeakPolarHBondContact O-CG2 3.45Å
252	P	91.8	Very high	94.8	Very high	56 Å²	56	56.6 Å²	56.6	36%	0.364	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	140	178.7	-26	34.6	0	0	0	113.1	I205	I205-P252 WeakPolarHBondContact O-CG 2.9Å
253	G	88	Confident	94.8	Very high	41 Å²	41	61.1 Å²	61.1	42%	0.423	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.4	8	173.4	0	0	0	0	0	115.9	T251 M255 Q256	T251-G253 PolarHBondContact O-N 3.22Å; G253-M255 PolarHBondContact O-N 3.03Å; G253-M255 VanDerWaalsContact O-N 3.15Å; G253-Q256 WeakPolarHBondContact O-CB 3.42Å; G253-Q256 VanDerWaalsContact O-CG 3.29Å; G253-Q256 WeakPolarHBondContact O-CG 3.28Å; G253-Q256 PolarHBondContact O-N 2.82Å
254	I	90.6	Very high	94.7	Very high	45 Å²	45	60.4 Å²	60.4	23%	0.231	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-24.1	-179.6	54.1	148.4	0	0	0	114.9	K248 T251 Q256 Y496	K248-I254 WeakPolarHBondContact O-CG2 3.34Å; T251-I254 HydrophobicContact CG2-CG2 4.44Å; T251-I254 WeakPolarHBondContact O-CG2 3.45Å; I254-Q256 VanDerWaalsContact C-N 3.31Å; I254-Q256 PolarHBondContact O-N 2.69Å; I254-Y496 HydrophobicContact CB-CE1 4.47Å; I254-Y496 HydrophobicContact CB-CE2 3.82Å; I254-Y496 HydrophobicContact CD1-CD1 4.28Å; I254-Y496 HydrophobicContact CD1-CE1 3.59Å; I254-Y496 HydrophobicContact CD1-CE2 4.43Å; I254-Y496 VanDerWaalsContact O-CD2 3.29Å; I254-Y496 WeakPolarHBondContact O-CD2 3.38Å; I254-Y496 VanDerWaalsContact O-CE2 3.27Å; I254-Y496 WeakPolarHBondContact O-CE2 3.5Å
255	M	89.4	Confident	94.7	Very high	66 Å²	66	59 Å²	59	33%	0.325	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	24.8	-178.9	-70.9	-57.5	-63.1	0	0	113.2	I229 G253 F257 E492 A493 Y496	I229-M255 HydrophobicContact CD1-SD 4.13Å; G253-M255 PolarHBondContact O-N 3.03Å; G253-M255 VanDerWaalsContact O-N 3.15Å; M255-F257 HydrophobicContact CE-CE2 4.04Å; M255-E492 HydrophobicContact CE-CB 4.19Å; M255-A493 VanDerWaalsContact CE-CA 3.41Å; M255-A493 HydrophobicContact CE-CB 3.96Å; M255-Y496 HydrophobicContact SD-CD1 4.1Å; M255-Y496 HydrophobicContact SD-CD2 4.4Å; M255-Y496 HydrophobicContact SD-CG 3.79Å
256	Q	90.8	Very high	94.6	Very high	163 Å²	163	59.3 Å²	59.3	76%	0.762	30%	0.304	S	S	*	.			trans	-91.4	116.9	177.5	-71.1	179	2.4	0	0	110.9	G253 I254	G253-Q256 WeakPolarHBondContact O-CB 3.42Å; G253-Q256 VanDerWaalsContact O-CG 3.29Å; G253-Q256 WeakPolarHBondContact O-CG 3.28Å; G253-Q256 PolarHBondContact O-N 2.82Å; I254-Q256 VanDerWaalsContact C-N 3.31Å; I254-Q256 PolarHBondContact O-N 2.69Å
257	F	94.3	Very high	94.6	Very high	39 Å²	39	59.8 Å²	59.8	17%	0.171	31%	0.311	C	S	.	.			trans	-110.3	140.1	176.7	-70.6	-94.7	0	0	0	111.5	M255 E261 K262 E492 M495	M255-F257 HydrophobicContact CE-CE2 4.04Å; F257-E261 HydrophobicContact CD1-CB 4.13Å; F257-K262 HydrophobicContact CB-CD 4.45Å; F257-K262 HydrophobicContact CB-CG 3.94Å; F257-E492 HydrophobicContact CD2-CB 3.9Å; F257-E492 HydrophobicContact CD2-CG 3.95Å; F257-E492 WeakPolarHBondContact CD2-OE2 3.44Å; F257-E492 HydrophobicContact CE2-CB 3.62Å; F257-E492 HydrophobicContact CE2-CG 4.16Å; F257-E492 HydrophobicContact CG-CG 4.35Å; F257-E492 HydrophobicContact CZ-CB 4.18Å; F257-E492 WeakPolarHBondContact CZ-O 3.39Å; F257-M495 HydrophobicContact CE1-CB 3.93Å; F257-M495 HydrophobicContact CZ-CB 4.09Å
258	T	95.5	Very high	94.7	Very high	79 Å²	79	56 Å²	56	49%	0.485	29%	0.293	S	S	.	.			trans	-70	156.7	170.9	65.1	0	0	0	0	111.1	E260 E261 K262	T258-E260 PolarHBondContact O-N 3.21Å; T258-E261 WeakPolarHBondContact CB-OE2 3.33Å; T258-E261 WeakPolarHBondContact CG2-OE2 3.14Å; T258-E261 PolarHBondContact N-OE2 2.91Å; T258-E261 PolarHBondContact O-N 2.84Å; T258-E261 WeakPolarHBondContact OG1-CB 3.13Å; T258-E261 VanDerWaalsContact OG1-CD 3.31Å; T258-E261 VanDerWaalsContact OG1-CG 3.23Å; T258-E261 WeakPolarHBondContact OG1-CG 3.19Å; T258-E261 PolarHBondContact OG1-N 3.12Å; T258-E261 PolarHBondContact OG1-OE2 3.29Å; T258-K262 WeakPolarHBondContact O-CG 3.29Å; T258-K262 PolarHBondContact O-N 3.37Å
259	N	96.4	Very high	94.7	Very high	98 Å²	98	53.5 Å²	53.5	52%	0.524	28%	0.282	S	S	.	.	H	α-helix	trans	-59.9	-31.4	177.1	-71.3	-7.5	0	0	0	112.5	R263 V560	N259-R263 WeakPolarHBondContact O-CB 3.26Å; N259-R263 WeakPolarHBondContact O-CG 3.33Å; N259-R263 PolarHBondContact O-N 3.36Å; N259-V560 HydrophobicContact CB-CG1 4.03Å
260	E	94.2	Very high	94.8	Very high	150 Å²	150	53.4 Å²	53.4	70%	0.701	28%	0.282	S	S	*	.	H	α-helix	trans	-71.2	-43.9	177.9	-175.5	174.4	-175.4	0	0	112.2	T258 K262 R263 T264	T258-E260 PolarHBondContact O-N 3.21Å; E260-K262 VanDerWaalsContact C-N 3.28Å; E260-K262 PolarHBondContact O-N 3.36Å; E260-R263 PolarHBondContact O-N 3.23Å; E260-T264 WeakPolarHBondContact O-CB 3.36Å; E260-T264 PolarHBondContact O-N 3.33Å; E260-T264 PolarHBondContact O-OG1 2.95Å
261	E	94.6	Very high	94.9	Very high	90 Å²	90	57.2 Å²	57.2	42%	0.421	30%	0.295	S	S	.	.	H	α-helix	trans	-59.4	-43.1	173.2	-72.9	165.1	134.3	0	0	110.5	F257 T258 R263 T264 L265	F257-E261 HydrophobicContact CD1-CB 4.13Å; T258-E261 WeakPolarHBondContact CB-OE2 3.33Å; T258-E261 WeakPolarHBondContact CG2-OE2 3.14Å; T258-E261 PolarHBondContact N-OE2 2.91Å; T258-E261 PolarHBondContact O-N 2.84Å; T258-E261 WeakPolarHBondContact OG1-CB 3.13Å; T258-E261 VanDerWaalsContact OG1-CD 3.31Å; T258-E261 VanDerWaalsContact OG1-CG 3.23Å; T258-E261 WeakPolarHBondContact OG1-CG 3.19Å; T258-E261 PolarHBondContact OG1-N 3.12Å; T258-E261 PolarHBondContact OG1-OE2 3.29Å; E261-R263 PolarHBondContact O-N 3.38Å; E261-T264 PolarHBondContact O-N 2.92Å; E261-L265 WeakPolarHBondContact O-CB 3.47Å; E261-L265 PolarHBondContact O-N 2.97Å
262	K	97.3	Very high	95	Very high	22 Å²	22	55.1 Å²	55.1	10%	0.096	28%	0.283	C	S	.	.	H	α-helix	trans	-61.8	-44.5	177.7	-73.1	-178.2	178.4	-168.2	0	112.8	F257 T258 E260 L265 L266 E492 Y551 L555 V560	F257-K262 HydrophobicContact CB-CD 4.45Å; F257-K262 HydrophobicContact CB-CG 3.94Å; T258-K262 WeakPolarHBondContact O-CG 3.29Å; T258-K262 PolarHBondContact O-N 3.37Å; E260-K262 VanDerWaalsContact C-N 3.28Å; E260-K262 PolarHBondContact O-N 3.36Å; K262-L265 PolarHBondContact O-N 3.44Å; K262-L266 PolarHBondContact O-N 3.37Å; K262-E492 WeakPolarHBondContact CE-OE1 3.39Å; K262-E492 IonicContact NZ-OE1 3.76Å; K262-Y551 VanDerWaalsContact CA-OH 3.24Å; K262-Y551 WeakPolarHBondContact CA-OH 3.5Å; K262-Y551 WeakPolarHBondContact CB-OH 3.49Å; K262-Y551 PolarHBondContact O-OH 2.99Å; K262-L555 HydrophobicContact CB-CD1 4.46Å; K262-L555 HydrophobicContact CB-CD2 3.79Å; K262-L555 HydrophobicContact CD-CD2 3.78Å; K262-L555 HydrophobicContact CG-CD2 4.11Å; K262-V560 HydrophobicContact CB-CG1 4.14Å; K262-V560 HydrophobicContact CD-CG2 4.26Å
263	R	96.3	Very high	95.3	Very high	103 Å²	103	52.8 Å²	52.8	39%	0.389	27%	0.268	S	S	.	.	H	α-helix	trans	-64.7	-40.6	175.2	-77.6	177.2	171.2	-110.1	1.2	112	N259 E260 E261 L266 A267 V560 V561 E565	N259-R263 WeakPolarHBondContact O-CB 3.26Å; N259-R263 WeakPolarHBondContact O-CG 3.33Å; N259-R263 PolarHBondContact O-N 3.36Å; E260-R263 PolarHBondContact O-N 3.23Å; E261-R263 PolarHBondContact O-N 3.38Å; R263-L266 PolarHBondContact O-N 3.11Å; R263-A267 PolarHBondContact O-N 2.99Å; R263-V560 HydrophobicContact CG-CG1 4.24Å; R263-V560 PolarHBondContact NE-O 3.33Å; R263-V560 PolarHBondContact NH2-O 3.11Å; R263-V561 HydrophobicContact CG-CG2 3.78Å; R263-E565 IonicContact CZ-OE1 2.65Å; R263-E565 VanDerWaalsContact CZ-OE1 3.32Å; R263-E565 IonicContact CZ-OE2 2.88Å; R263-E565 IonicContact NH1-OE1 3.23Å; R263-E565 PolarHBondContact NH1-OE1 2.77Å; R263-E565 IonicContact NH1-OE2 2.81Å; R263-E565 VanDerWaalsContact NH2-CD 3.34Å; R263-E565 IonicContact NH2-OE1 2.86Å; R263-E565 PolarHBondContact NH2-OE1 3.26Å; R263-E565 IonicContact NH2-OE2 3.06Å; R263-E565 PolarHBondContact NH2-OE2 2.91Å
264	T	95.3	Very high	95.8	Very high	58 Å²	58	53.7 Å²	53.7	36%	0.356	26%	0.258	S	S	.	.	H	α-helix	trans	-63.5	-43.5	176.5	-64	0	0	0	0	111.6	E260 E261 A267 R268	E260-T264 WeakPolarHBondContact O-CB 3.36Å; E260-T264 PolarHBondContact O-N 3.33Å; E260-T264 PolarHBondContact O-OG1 2.95Å; E261-T264 PolarHBondContact O-N 2.92Å; T264-A267 PolarHBondContact O-N 3.49Å; T264-R268 WeakPolarHBondContact O-CG 3.4Å; T264-R268 PolarHBondContact O-N 3.33Å
265	L	97.1	Very high	96.1	Very high	7 Å²	7	51.6 Å²	51.6	4%	0.037	25%	0.247	C	C	.	.	H	α-helix	trans	-61.2	-45.5	174.8	174.3	53.8	0	0	0	111.3	E261 K262 A267 R268 L269 P299 P491 E492 M495 Y551	E261-L265 WeakPolarHBondContact O-CB 3.47Å; E261-L265 PolarHBondContact O-N 2.97Å; K262-L265 PolarHBondContact O-N 3.44Å; L265-A267 PolarHBondContact O-N 2.76Å; L265-R268 PolarHBondContact O-N 3.3Å; L265-L269 HydrophobicContact CD1-CD1 4.2Å; L265-L269 HydrophobicContact CD1-CG 4.22Å; L265-L269 HydrophobicContact CG-CD1 4.34Å; L265-L269 WeakPolarHBondContact O-CG 3.46Å; L265-L269 PolarHBondContact O-N 2.81Å; L265-P299 HydrophobicContact CD1-CB 3.59Å; L265-P299 HydrophobicContact CD1-CG 3.88Å; L265-P491 HydrophobicContact CD1-CB 4.06Å; L265-P491 HydrophobicContact CD2-CB 3.78Å; L265-P491 HydrophobicContact CG-CB 4.17Å; L265-E492 HydrophobicContact CD2-CG 4.18Å; L265-M495 HydrophobicContact CD1-CE 4.32Å; L265-M495 HydrophobicContact CD1-CG 3.9Å; L265-M495 HydrophobicContact CD1-SD 3.9Å; L265-M495 HydrophobicContact CD2-CG 3.87Å; L265-M495 HydrophobicContact CG-CG 4.42Å; L265-Y551 HydrophobicContact CB-CE1 4.14Å; L265-Y551 HydrophobicContact CD2-CE1 3.96Å; L265-Y551 HydrophobicContact CD2-CE2 4.11Å; L265-Y551 WeakPolarHBondContact CD2-OH 3.44Å; L265-Y551 HydrophobicContact CG-CD1 4.49Å; L265-Y551 HydrophobicContact CG-CE1 3.72Å
266	L	97.9	Very high	96.5	Very high	5 Å²	5	48.6 Å²	48.6	3%	0.026	23%	0.232	C	C	.	.	H	α-helix	trans	-57.2	-50.3	175	179.7	66.9	0	0	0	111.2	K262 R263 R268 L269 V270 L548 Y551 A552 L555 V561 Y566	K262-L266 PolarHBondContact O-N 3.37Å; R263-L266 PolarHBondContact O-N 3.11Å; L266-R268 VanDerWaalsContact C-N 3.3Å; L266-R268 PolarHBondContact O-N 3.47Å; L266-L269 PolarHBondContact O-N 3.02Å; L266-L269 VanDerWaalsContact O-N 3.15Å; L266-V270 WeakPolarHBondContact O-CG2 3.47Å; L266-V270 PolarHBondContact O-N 3.06Å; L266-L548 HydrophobicContact CD1-CD1 3.86Å; L266-Y551 HydrophobicContact CB-CD1 4.31Å; L266-Y551 HydrophobicContact CB-CE1 4.04Å; L266-Y551 HydrophobicContact CD1-CD1 4.13Å; L266-A552 HydrophobicContact CD1-CB 4.21Å; L266-L555 HydrophobicContact CB-CD1 3.85Å; L266-L555 HydrophobicContact CD1-CD1 4.47Å; L266-L555 HydrophobicContact CD2-CD1 4.01Å; L266-L555 HydrophobicContact CG-CD1 4.33Å; L266-V561 HydrophobicContact CD2-CG1 4.17Å; L266-V561 HydrophobicContact CD2-CG2 4.05Å; L266-Y566 HydrophobicContact CD1-CD2 4.2Å; L266-Y566 HydrophobicContact CD1-CE2 4.29Å; L266-Y566 HydrophobicContact CD2-CD2 4.33Å
267	A	96.8	Very high	96.7	Very high	25 Å²	25	45 Å²	45	21%	0.207	22%	0.216	C	C	.	.	H	α-helix	trans	-60.3	-38.7	179.7	0	0	0	0	0	112.3	R263 T264 L265 V270 R271	R263-A267 PolarHBondContact O-N 2.99Å; T264-A267 PolarHBondContact O-N 3.49Å; L265-A267 PolarHBondContact O-N 2.76Å; A267-V270 PolarHBondContact O-N 2.9Å; A267-R271 WeakPolarHBondContact O-CG 3.48Å; A267-R271 PolarHBondContact O-N 2.96Å; A267-R271 VanDerWaalsContact O-N 3.15Å
268	R	97.3	Very high	96.9	Very high	23 Å²	23	43.3 Å²	43.3	9%	0.087	21%	0.208	C	C	.	.	H	α-helix	trans	-66.4	-41.4	175	-71	172.9	-174.2	-160.8	-6.9	112	T264 L265 L266 R271 S272 P299 K302 D306	T264-R268 WeakPolarHBondContact O-CG 3.4Å; T264-R268 PolarHBondContact O-N 3.33Å; L265-R268 PolarHBondContact O-N 3.3Å; L266-R268 VanDerWaalsContact C-N 3.3Å; L266-R268 PolarHBondContact O-N 3.47Å; R268-R271 PolarHBondContact O-N 3.17Å; R268-S272 PolarHBondContact O-N 2.93Å; R268-P299 HydrophobicContact CB-CB 3.78Å; R268-P299 HydrophobicContact CB-CG 4.33Å; R268-K302 HydrophobicContact CG-CD 4.29Å; R268-D306 IonicContact CZ-OD2 3.46Å; R268-D306 VanDerWaalsContact CZ-OD2 3.23Å; R268-D306 IonicContact NH1-OD2 3.64Å; R268-D306 PolarHBondContact NH1-OD2 3.28Å; R268-D306 IonicContact NH2-OD2 2.93Å; R268-D306 PolarHBondContact NH2-OD2 3.15Å
269	L	98.1	Very high	96.9	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-65.2	-39.2	175.2	-76.2	173.1	0	0	0	112.3	L265 L266 S272 T273 V296 P299 P491 V547 L548 Y551	L265-L269 HydrophobicContact CD1-CD1 4.2Å; L265-L269 HydrophobicContact CD1-CG 4.22Å; L265-L269 HydrophobicContact CG-CD1 4.34Å; L265-L269 WeakPolarHBondContact O-CG 3.46Å; L265-L269 PolarHBondContact O-N 2.81Å; L266-L269 PolarHBondContact O-N 3.02Å; L266-L269 VanDerWaalsContact O-N 3.15Å; L269-S272 PolarHBondContact O-N 3.04Å; L269-T273 WeakPolarHBondContact O-CB 3.49Å; L269-T273 PolarHBondContact O-N 2.69Å; L269-T273 PolarHBondContact O-OG1 3.09Å; L269-V296 HydrophobicContact CD2-CB 4.34Å; L269-V296 HydrophobicContact CD2-CG2 4.45Å; L269-P299 HydrophobicContact CD2-CG 3.81Å; L269-P299 HydrophobicContact CG-CG 4.1Å; L269-P491 HydrophobicContact CD1-CB 3.98Å; L269-P491 HydrophobicContact CD1-CG 3.86Å; L269-V547 HydrophobicContact CD2-CG1 4.33Å; L269-L548 HydrophobicContact CB-CD1 3.91Å; L269-Y551 HydrophobicContact CD1-CD1 3.72Å; L269-Y551 HydrophobicContact CD1-CE1 4.41Å; L269-Y551 HydrophobicContact CD1-CG 4.12Å
270	V	98.4	Very high	96.8	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.012	18%	0.175	C	C	.	.	H	α-helix	trans	-57.3	-51.8	173.6	168.8	0	0	0	0	109.7	L266 A267 S272 T273 R274 L548 Y566 I570	L266-V270 WeakPolarHBondContact O-CG2 3.47Å; L266-V270 PolarHBondContact O-N 3.06Å; A267-V270 PolarHBondContact O-N 2.9Å; V270-S272 VanDerWaalsContact C-N 3.33Å; V270-S272 PolarHBondContact O-N 2.97Å; V270-T273 PolarHBondContact O-N 2.76Å; V270-R274 HydrophobicContact CG1-CG 3.93Å; V270-R274 VanDerWaalsContact O-CB 3.25Å; V270-R274 WeakPolarHBondContact O-CB 3.4Å; V270-R274 VanDerWaalsContact O-CG 3.24Å; V270-R274 WeakPolarHBondContact O-CG 3.42Å; V270-R274 PolarHBondContact O-N 3.08Å; V270-L548 HydrophobicContact CG2-CD1 3.74Å; V270-L548 HydrophobicContact CG2-CD2 4.3Å; V270-Y566 HydrophobicContact CG2-CE2 4.37Å; V270-I570 HydrophobicContact CG1-CG1 4.08Å; V270-I570 HydrophobicContact CG2-CG1 4.35Å
271	R	97.7	Very high	96.8	Very high	85 Å²	85	37.9 Å²	37.9	32%	0.321	17%	0.168	S	C	.	.	H	α-helix	trans	-59.1	-44.2	179	-65.6	-173.7	-178.2	-151.5	-1.6	112.7	A267 R268 F275 N331 Y573	A267-R271 WeakPolarHBondContact O-CG 3.48Å; A267-R271 PolarHBondContact O-N 2.96Å; A267-R271 VanDerWaalsContact O-N 3.15Å; R268-R271 PolarHBondContact O-N 3.17Å; R271-F275 VanDerWaalsContact O-CB 3.23Å; R271-F275 WeakPolarHBondContact O-CB 3.45Å; R271-F275 PolarHBondContact O-N 3.42Å; R271-N331 PolarHBondContact O-ND2 3.32Å; R271-Y573 HydrophobicContact CB-CD2 4.13Å; R271-Y573 HydrophobicContact CB-CE1 4.39Å; R271-Y573 HydrophobicContact CB-CE2 3.86Å; R271-Y573 HydrophobicContact CB-CG 4.47Å; R271-Y573 HydrophobicContact CG-CD2 3.53Å; R271-Y573 HydrophobicContact CG-CE2 3.65Å; R271-Y573 HydrophobicContact CG-CG 4.03Å; R271-Y573 VanDerWaalsContact O-CE1 3.28Å; R271-Y573 WeakPolarHBondContact O-CE1 3.42Å
272	S	97.8	Very high	96.8	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-59.4	-51.6	178.5	-171.2	0	0	0	0	111.7	R268 L269 V270 E295 I298 N327	R268-S272 PolarHBondContact O-N 2.93Å; L269-S272 PolarHBondContact O-N 3.04Å; V270-S272 VanDerWaalsContact C-N 3.33Å; V270-S272 PolarHBondContact O-N 2.97Å; S272-E295 VanDerWaalsContact CB-O 3.31Å; S272-E295 WeakPolarHBondContact CB-O 3.45Å; S272-E295 WeakPolarHBondContact OG-CA 3.5Å; S272-E295 PolarHBondContact OG-O 2.86Å; S272-I298 WeakPolarHBondContact OG-CG1 3.23Å; S272-N327 PolarHBondContact O-ND2 3.11Å
273	T	97.9	Very high	96.6	Very high	8 Å²	8	37.4 Å²	37.4	5%	0.049	16%	0.164	C	C	.	.	H	α-helix	trans	-71	-49.8	-174.5	-49.2	0	0	0	0	111.6	L269 V270 F275 E276 E277 L548	L269-T273 WeakPolarHBondContact O-CB 3.49Å; L269-T273 PolarHBondContact O-N 2.69Å; L269-T273 PolarHBondContact O-OG1 3.09Å; V270-T273 PolarHBondContact O-N 2.76Å; T273-F275 PolarHBondContact O-N 3.35Å; T273-E276 PolarHBondContact O-N 3.45Å; T273-E277 PolarHBondContact O-N 2.93Å; T273-E277 VanDerWaalsContact O-N 3.15Å; T273-L548 HydrophobicContact CG2-CB 4.38Å; T273-L548 HydrophobicContact CG2-CD2 4Å
274	R	97.8	Very high	96.2	Very high	60 Å²	60	35.8 Å²	35.8	23%	0.226	17%	0.168	C	C	.	.	H	α-helix	trans	-65.7	-28.3	-176.5	-65.4	-54.4	-62.4	-179.6	-11	112.3	V270 E277 F278 I570 Y573 D574	V270-R274 HydrophobicContact CG1-CG 3.93Å; V270-R274 VanDerWaalsContact O-CB 3.25Å; V270-R274 WeakPolarHBondContact O-CB 3.4Å; V270-R274 VanDerWaalsContact O-CG 3.24Å; V270-R274 WeakPolarHBondContact O-CG 3.42Å; V270-R274 PolarHBondContact O-N 3.08Å; R274-E277 VanDerWaalsContact CD-OE2 3.26Å; R274-E277 WeakPolarHBondContact CD-OE2 3.42Å; R274-E277 IonicContact CZ-OE2 3.43Å; R274-E277 VanDerWaalsContact CZ-OE2 3.31Å; R274-E277 IonicContact NE-OE2 3.16Å; R274-E277 PolarHBondContact NE-OE2 3.44Å; R274-E277 IonicContact NH1-OE2 3.73Å; R274-E277 PolarHBondContact NH1-OE2 3.37Å; R274-F278 VanDerWaalsContact O-CB 3.23Å; R274-F278 WeakPolarHBondContact O-CB 3.31Å; R274-F278 PolarHBondContact O-N 3Å; R274-I570 HydrophobicContact CG-CG2 4.37Å; R274-Y573 HydrophobicContact CB-CD1 3.66Å; R274-Y573 HydrophobicContact CB-CE1 4.19Å; R274-D574 IonicContact CZ-OD1 3.31Å; R274-D574 IonicContact CZ-OD2 3.13Å; R274-D574 IonicContact NE-OD1 3.5Å; R274-D574 PolarHBondContact NE-OD1 3.32Å; R274-D574 IonicContact NE-OD2 2.62Å; R274-D574 VanDerWaalsContact NH2-CG 3.32Å; R274-D574 IonicContact NH2-OD1 3.2Å; R274-D574 PolarHBondContact NH2-OD1 3.12Å; R274-D574 IonicContact NH2-OD2 2.68Å; R274-D574 PolarHBondContact NH2-OD2 3.13Å
275	F	97.9	Very high	95.8	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-63.2	-47.5	174	-176.5	-102.7	0	0	0	111.8	R271 T273 F278 L279 L326 N327 A330 L337 F341 Y573	R271-F275 VanDerWaalsContact O-CB 3.23Å; R271-F275 WeakPolarHBondContact O-CB 3.45Å; R271-F275 PolarHBondContact O-N 3.42Å; T273-F275 PolarHBondContact O-N 3.35Å; F275-F278 WeakPolarHBondContact O-CB 3.18Å; F275-F278 PolarHBondContact O-N 3.08Å; F275-L279 HydrophobicContact CD1-CD1 4.12Å; F275-L279 HydrophobicContact CD1-CG 4.46Å; F275-L279 HydrophobicContact CE1-CD1 3.52Å; F275-L279 HydrophobicContact CE1-CG 4.11Å; F275-L279 HydrophobicContact CZ-CD1 3.89Å; F275-L279 HydrophobicContact CZ-CD2 4.29Å; F275-L279 HydrophobicContact CZ-CG 4.21Å; F275-L279 WeakPolarHBondContact O-CG 3.25Å; F275-L279 PolarHBondContact O-N 3.3Å; F275-L326 HydrophobicContact CE1-CB 4.04Å; F275-L326 HydrophobicContact CZ-CB 4.38Å; F275-N327 HydrophobicContact CD1-CB 3.94Å; F275-N327 HydrophobicContact CE1-CB 4.21Å; F275-A330 HydrophobicContact CD2-CB 4.17Å; F275-A330 HydrophobicContact CE1-CB 4.31Å; F275-A330 HydrophobicContact CE2-CB 3.71Å; F275-A330 HydrophobicContact CZ-CB 3.78Å; F275-L337 HydrophobicContact CD2-CD2 4.35Å; F275-L337 HydrophobicContact CE2-CD2 3.8Å; F275-F341 AromaticContact CE2-CE1 3.81Å; F275-F341 HydrophobicContact CE2-CE1 3.81Å; F275-F341 HydrophobicContact CE2-CZ 4.18Å; F275-F341 HydrophobicContact CZ-CE1 4.37Å; F275-Y573 HydrophobicContact CB-CE1 3.95Å
276	E	96.6	Very high	95.4	Very high	3 Å²	3	39.9 Å²	39.9	1%	0.014	19%	0.192	C	C	.	.	H	α-helix	trans	-64.3	-44	178.1	-62.2	-60	165.3	0	0	111.8	T273 F278 L279 Q280 R288 G290 L291 E292 N327	T273-E276 PolarHBondContact O-N 3.45Å; E276-F278 VanDerWaalsContact C-N 3.27Å; E276-F278 PolarHBondContact O-N 3.27Å; E276-L279 PolarHBondContact O-N 3.31Å; E276-Q280 WeakPolarHBondContact O-CB 3.42Å; E276-Q280 PolarHBondContact O-N 3.25Å; E276-R288 IonicContact OE2-NE 2.85Å; E276-G290 WeakPolarHBondContact OE2-CA 3.45Å; E276-L291 VanDerWaalsContact CD-N 3.32Å; E276-L291 HydrophobicContact CG-CB 4.2Å; E276-L291 WeakPolarHBondContact OE1-CB 3.41Å; E276-L291 PolarHBondContact OE1-N 3.02Å; E276-L291 VanDerWaalsContact OE1-N 3.13Å; E276-E292 HydrophobicContact CB-CG 3.85Å; E276-E292 HydrophobicContact CG-CG 4.21Å; E276-N327 WeakPolarHBondContact OE1-CB 3.49Å; E276-N327 PolarHBondContact OE1-ND2 2.83Å
277	E	96.4	Very high	95	Very high	88 Å²	88	44.5 Å²	44.5	41%	0.411	21%	0.212	S	C	.	.	H	α-helix	trans	-62.4	-36.4	176.7	-68.6	177.6	154.8	0	0	111.8	T273 R274 R281	T273-E277 PolarHBondContact O-N 2.93Å; T273-E277 VanDerWaalsContact O-N 3.15Å; R274-E277 VanDerWaalsContact CD-OE2 3.26Å; R274-E277 WeakPolarHBondContact CD-OE2 3.42Å; R274-E277 IonicContact CZ-OE2 3.43Å; R274-E277 VanDerWaalsContact CZ-OE2 3.31Å; R274-E277 IonicContact NE-OE2 3.16Å; R274-E277 PolarHBondContact NE-OE2 3.44Å; R274-E277 IonicContact NH1-OE2 3.73Å; R274-E277 PolarHBondContact NH1-OE2 3.37Å; E277-R281 VanDerWaalsContact O-CB 3.29Å; E277-R281 WeakPolarHBondContact O-CB 3.4Å; E277-R281 PolarHBondContact O-N 3.24Å
278	F	97.2	Very high	94.8	Very high	3 Å²	3	43.6 Å²	43.6	1%	0.013	20%	0.203	C	C	.	.	H	α-helix	trans	-63.6	-49.2	174	-173.5	-89.4	0	0	0	111.5	R274 F275 E276 Q280 R281 K282 W283 F341 C577 E578 F581	R274-F278 VanDerWaalsContact O-CB 3.23Å; R274-F278 WeakPolarHBondContact O-CB 3.31Å; R274-F278 PolarHBondContact O-N 3Å; F275-F278 WeakPolarHBondContact O-CB 3.18Å; F275-F278 PolarHBondContact O-N 3.08Å; E276-F278 VanDerWaalsContact C-N 3.27Å; E276-F278 PolarHBondContact O-N 3.27Å; F278-Q280 PolarHBondContact O-N 2.94Å; F278-R281 VanDerWaalsContact CD2-NH2 3.3Å; F278-R281 PolarHBondContact O-N 3.04Å; F278-K282 HydrophobicContact CD1-CG 4.11Å; F278-K282 HydrophobicContact CE1-CG 3.7Å; F278-K282 HydrophobicContact CE2-CG 4.33Å; F278-K282 HydrophobicContact CZ-CD 4.28Å; F278-K282 VanDerWaalsContact CZ-CE 3.43Å; F278-K282 HydrophobicContact CZ-CG 3.81Å; F278-K282 WeakPolarHBondContact O-CG 3.34Å; F278-K282 PolarHBondContact O-N 3.43Å; F278-W283 HydrophobicContact CE1-CZ3 4.34Å; F278-F341 HydrophobicContact CD1-CE1 4.28Å; F278-F341 HydrophobicContact CD1-CE2 4.49Å; F278-F341 AromaticContact CD1-CZ 3.89Å; F278-F341 HydrophobicContact CD1-CZ 3.89Å; F278-F341 HydrophobicContact CE1-CE1 4.25Å; F278-F341 AromaticContact CE1-CE2 3.85Å; F278-F341 HydrophobicContact CE1-CE2 3.85Å; F278-F341 AromaticContact CE1-CZ 3.7Å; F278-F341 HydrophobicContact CE1-CZ 3.7Å; F278-C577 HydrophobicContact CB-CB 4.46Å; F278-C577 HydrophobicContact CD1-CB 4.04Å; F278-C577 HydrophobicContact CD2-CB 3.45Å; F278-C577 VanDerWaalsContact CD2-CB 3.45Å; F278-C577 HydrophobicContact CE1-CB 4.1Å; F278-C577 HydrophobicContact CE2-CB 3.54Å; F278-C577 HydrophobicContact CG-CB 3.73Å; F278-C577 HydrophobicContact CZ-CB 3.87Å; F278-C577 WeakPolarHBondContact CZ-O 3.3Å; F278-E578 HydrophobicContact CE2-CG 3.96Å; F278-F581 HydrophobicContact CE1-CB 4.07Å; F278-F581 HydrophobicContact CZ-CB 3.65Å; F278-F581 HydrophobicContact CZ-CG 4.14Å
279	L	95.5	Very high	94.7	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-59.8	-47	177.4	-67.2	-173.3	0	0	0	111.4	F275 E276 R281 K282 W283 L326 F341 F344	F275-L279 HydrophobicContact CD1-CD1 4.12Å; F275-L279 HydrophobicContact CD1-CG 4.46Å; F275-L279 HydrophobicContact CE1-CD1 3.52Å; F275-L279 HydrophobicContact CE1-CG 4.11Å; F275-L279 HydrophobicContact CZ-CD1 3.89Å; F275-L279 HydrophobicContact CZ-CD2 4.29Å; F275-L279 HydrophobicContact CZ-CG 4.21Å; F275-L279 WeakPolarHBondContact O-CG 3.25Å; F275-L279 PolarHBondContact O-N 3.3Å; E276-L279 PolarHBondContact O-N 3.31Å; L279-R281 VanDerWaalsContact C-N 3.28Å; L279-R281 PolarHBondContact O-N 2.95Å; L279-K282 PolarHBondContact O-N 3.4Å; L279-W283 HydrophobicContact CD2-CE3 3.79Å; L279-W283 HydrophobicContact CD2-CZ3 3.55Å; L279-W283 PolarHBondContact O-N 3.32Å; L279-L326 HydrophobicContact CD1-CD1 4.21Å; L279-F341 HydrophobicContact CD2-CD1 4.09Å; L279-F341 HydrophobicContact CD2-CE1 3.75Å; L279-F344 HydrophobicContact CD1-CZ 4.37Å; L279-F344 HydrophobicContact CD2-CE2 4.24Å; L279-F344 HydrophobicContact CD2-CZ 4.21Å
280	Q	94.3	Very high	94.5	Very high	68 Å²	68	43.9 Å²	43.9	32%	0.318	21%	0.206	S	C	.	.	H	α-helix	trans	-59.6	-38.2	177.8	-179.2	59.4	40.8	0	0	112.2	E276 F278 S284	E276-Q280 WeakPolarHBondContact O-CB 3.42Å; E276-Q280 PolarHBondContact O-N 3.25Å; F278-Q280 PolarHBondContact O-N 2.94Å; Q280-S284 WeakPolarHBondContact O-CA 3.24Å; Q280-S284 WeakPolarHBondContact O-CB 3.28Å; Q280-S284 PolarHBondContact O-N 2.88Å
281	R	95.2	Very high	94.4	Very high	146 Å²	146	43.8 Å²	43.8	55%	0.551	21%	0.206	S	C	*	.	H	α-helix	trans	-71.7	-38.6	179.7	-179	172	57.7	127.4	8.5	112.6	E277 F278 L279 E578	E277-R281 VanDerWaalsContact O-CB 3.29Å; E277-R281 WeakPolarHBondContact O-CB 3.4Å; E277-R281 PolarHBondContact O-N 3.24Å; F278-R281 VanDerWaalsContact CD2-NH2 3.3Å; F278-R281 PolarHBondContact O-N 3.04Å; L279-R281 VanDerWaalsContact C-N 3.28Å; L279-R281 PolarHBondContact O-N 2.95Å; R281-E578 IonicContact CZ-OE1 3.35Å; R281-E578 IonicContact NH1-OE1 3.24Å; R281-E578 PolarHBondContact NH1-OE1 3.03Å; R281-E578 IonicContact NH2-OE1 2.69Å; R281-E578 PolarHBondContact NH2-OE1 3.28Å
282	K	94.5	Very high	94.3	Very high	64 Å²	64	40.8 Å²	40.8	28%	0.278	20%	0.196	S	C	.	.	H	α-helix	trans	-84.8	-34.2	-177.7	-63.7	-63.5	-174.6	176.9	0	112.8	F278 L279 E578 F581	F278-K282 HydrophobicContact CD1-CG 4.11Å; F278-K282 HydrophobicContact CE1-CG 3.7Å; F278-K282 HydrophobicContact CE2-CG 4.33Å; F278-K282 HydrophobicContact CZ-CD 4.28Å; F278-K282 VanDerWaalsContact CZ-CE 3.43Å; F278-K282 HydrophobicContact CZ-CG 3.81Å; F278-K282 WeakPolarHBondContact O-CG 3.34Å; F278-K282 PolarHBondContact O-N 3.43Å; L279-K282 PolarHBondContact O-N 3.4Å; K282-E578 WeakPolarHBondContact CE-OE2 3.35Å; K282-E578 IonicContact NZ-OE1 2.73Å; K282-E578 PolarHBondContact NZ-OE1 3.47Å; K282-E578 VanDerWaalsContact NZ-OE1 3.13Å; K282-E578 IonicContact NZ-OE2 2.65Å; K282-E578 PolarHBondContact NZ-OE2 3.19Å; K282-F581 HydrophobicContact CD-CD1 4.34Å; K282-F581 HydrophobicContact CD-CE1 4.07Å; K282-F581 HydrophobicContact CD-CE2 4.36Å; K282-F581 HydrophobicContact CD-CZ 4.08Å
283	W	92.6	Very high	94.3	Very high	37 Å²	37	40.9 Å²	40.9	14%	0.14	20%	0.196	C	C	.	.			trans	-137.1	64.6	-174	-58	-77.9	0	0	0	111.9	F278 L279 S285 E286 F341 F344 F581	F278-W283 HydrophobicContact CE1-CZ3 4.34Å; L279-W283 HydrophobicContact CD2-CE3 3.79Å; L279-W283 HydrophobicContact CD2-CZ3 3.55Å; L279-W283 PolarHBondContact O-N 3.32Å; W283-S285 PolarHBondContact O-N 2.89Å; W283-E286 HydrophobicContact CB-CB 3.91Å; W283-E286 HydrophobicContact CB-CG 3.92Å; W283-E286 HydrophobicContact CG-CG 4.47Å; W283-E286 PolarHBondContact O-N 2.88Å; W283-F341 HydrophobicContact CH2-CB 3.71Å; W283-F341 AromaticContact CH2-CD1 3.76Å; W283-F341 HydrophobicContact CH2-CD1 3.76Å; W283-F341 AromaticContact CH2-CG 3.75Å; W283-F341 HydrophobicContact CH2-CG 3.75Å; W283-F341 HydrophobicContact CZ2-CB 4.34Å; W283-F341 AromaticContact CZ3-CD1 3.86Å; W283-F341 HydrophobicContact CZ3-CD1 3.86Å; W283-F341 HydrophobicContact CZ3-CE1 4.31Å; W283-F341 HydrophobicContact CZ3-CG 4.31Å; W283-F344 HydrophobicContact CB-CD1 4.02Å; W283-F344 HydrophobicContact CD2-CB 3.74Å; W283-F344 AromaticContact CD2-CD1 3.91Å; W283-F344 HydrophobicContact CD2-CD1 3.91Å; W283-F344 HydrophobicContact CD2-CD2 4.47Å; W283-F344 AromaticContact CD2-CG 3.81Å; W283-F344 HydrophobicContact CD2-CG 3.81Å; W283-F344 AromaticContact CE2-CG 3.93Å; W283-F344 HydrophobicContact CE3-CB 4.46Å; W283-F344 HydrophobicContact CE3-CD1 4.23Å; W283-F344 HydrophobicContact CE3-CD2 4.39Å; W283-F344 HydrophobicContact CE3-CG 4.14Å; W283-F344 HydrophobicContact CG-CB 3.93Å; W283-F344 AromaticContact CG-CD1 3.82Å; W283-F344 HydrophobicContact CG-CD1 3.82Å; W283-F344 HydrophobicContact CG-CG 4.1Å; W283-F344 HydrophobicContact CZ2-CB 3.82Å; W283-F344 HydrophobicContact CZ2-CG 4.34Å; W283-F344 HydrophobicContact CZ3-CD2 4.44Å; W283-F344 VanDerWaalsContact NE1-CB 3.32Å; W283-F581 AromaticContact CH2-CD2 3.68Å; W283-F581 HydrophobicContact CH2-CD2 3.68Å; W283-F581 AromaticContact CH2-CE2 3.96Å; W283-F581 HydrophobicContact CH2-CE2 3.96Å; W283-F581 AromaticContact CZ2-CD2 3.8Å; W283-F581 HydrophobicContact CZ2-CD2 3.8Å; W283-F581 AromaticContact CZ2-CE2 3.62Å; W283-F581 HydrophobicContact CZ2-CE2 3.62Å
284	S	88.7	Confident	94.3	Very high	70 Å²	70	40.5 Å²	40.5	49%	0.49	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-24	-175.2	56.6	0	0	0	0	115	Q280	Q280-S284 WeakPolarHBondContact O-CA 3.24Å; Q280-S284 WeakPolarHBondContact O-CB 3.28Å; Q280-S284 PolarHBondContact O-N 2.88Å
285	S	86.2	Confident	94.3	Very high	79 Å²	79	38.1 Å²	38.1	55%	0.552	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-6.1	-179.5	56.7	0	0	0	0	114.2	W283	W283-S285 PolarHBondContact O-N 2.89Å
286	E	88.8	Confident	94.3	Very high	71 Å²	71	38.1 Å²	38.1	33%	0.332	19%	0.185	S	C	.	.	S	Bend	trans	-89.5	133.3	-175.9	-75.7	-70.2	126.5	0	0	111.2	W283 R288 F344 K359	W283-E286 HydrophobicContact CB-CB 3.91Å; W283-E286 HydrophobicContact CB-CG 3.92Å; W283-E286 HydrophobicContact CG-CG 4.47Å; W283-E286 PolarHBondContact O-N 2.88Å; E286-R288 PolarHBondContact O-N 3.2Å; E286-F344 HydrophobicContact CB-CD1 3.91Å; E286-F344 HydrophobicContact CB-CE1 4.08Å; E286-F344 HydrophobicContact CG-CD1 4.01Å; E286-K359 IonicContact OE2-NZ 3.68Å; E286-K359 PolarHBondContact OE2-NZ 2.8Å
287	K	89.8	Confident	94.4	Very high	103 Å²	103	38 Å²	38	45%	0.448	19%	0.185	S	C	.	.			trans	-70.2	122.9	172	-62.2	-176.7	-178.9	176	0	109.1	N525	K287-N525 HydrophobicContact CB-CB 4.45Å; K287-N525 HydrophobicContact CD-CB 4.09Å; K287-N525 HydrophobicContact CG-CB 4Å
288	R	92.3	Very high	94.5	Very high	5 Å²	5	33.9 Å²	33.9	2%	0.019	17%	0.166	C	C	.	.			trans	-127.3	-17.8	178.4	64.3	175.4	-176.9	-73.3	-4.1	113.8	E276 E286 E292 L326 E526	E276-R288 IonicContact OE2-NE 2.85Å; E286-R288 PolarHBondContact O-N 3.2Å; R288-E292 IonicContact CZ-OE1 2.78Å; R288-E292 IonicContact NE-OE1 3.29Å; R288-E292 IonicContact NH2-OE1 3.92Å; R288-E292 PolarHBondContact NH2-OE1 3.33Å; R288-L326 HydrophobicContact CB-CD1 4.19Å; R288-E526 HydrophobicContact CG-CG 4.47Å; R288-E526 VanDerWaalsContact CG-OE1 3.24Å; R288-E526 WeakPolarHBondContact CG-OE1 3.49Å; R288-E526 IonicContact CZ-OE1 3.75Å; R288-E526 PolarHBondContact N-OE2 3.17Å; R288-E526 IonicContact NE-OE1 3.78Å
289	F	95	Very high	94.6	Very high	24 Å²	24	33.8 Å²	33.8	11%	0.105	17%	0.165	C	C	.	.			trans	57.2	54	-175.2	-59.2	-80.3	0	0	0	112.1	H322 G324 Y360 H524 N525 E526	F289-H322 HydrophobicContact CB-CB 3.96Å; F289-H322 HydrophobicContact CD1-CB 4.44Å; F289-H322 AromaticContact CD1-CD2 3.41Å; F289-H322 VanDerWaalsContact CD1-CD2 3.41Å; F289-H322 WeakPolarHBondContact CD1-CD2 3.37Å; F289-H322 HydrophobicContact CD2-CB 3.88Å; F289-H322 HydrophobicContact CE2-CB 4.49Å; F289-H322 HydrophobicContact CG-CB 3.85Å; F289-H322 AromaticContact CG-CD2 3.59Å; F289-H322 AromaticContact CG-CG 3.94Å; F289-G324 PolarHBondContact O-N 3.16Å; F289-Y360 AromaticContact CD2-CD1 3.91Å; F289-Y360 HydrophobicContact CD2-CD1 3.91Å; F289-Y360 AromaticContact CD2-CE1 3.9Å; F289-Y360 HydrophobicContact CD2-CE1 3.9Å; F289-Y360 HydrophobicContact CD2-CG 4.22Å; F289-Y360 HydrophobicContact CE2-CD1 4.2Å; F289-Y360 HydrophobicContact CE2-CD2 4.48Å; F289-Y360 AromaticContact CE2-CE1 3.73Å; F289-Y360 HydrophobicContact CE2-CE1 3.73Å; F289-Y360 HydrophobicContact CE2-CE2 4.07Å; F289-Y360 AromaticContact CE2-CZ 3.66Å; F289-H524 VanDerWaalsContact CD1-O 3.23Å; F289-H524 WeakPolarHBondContact CD1-O 3.22Å; F289-H524 AromaticContact CE1-CD2 3.88Å; F289-H524 AromaticContact CE1-NE2 3.59Å; F289-N525 HydrophobicContact CE1-CB 4.09Å; F289-N525 HydrophobicContact CZ-CB 4.48Å; F289-E526 WeakPolarHBondContact CA-OE1 3.2Å; F289-E526 PolarHBondContact N-OE1 3.48Å; F289-E526 PolarHBondContact N-OE2 3.33Å
290	G	93.4	Very high	94.7	Very high	5 Å²	5	33.8 Å²	33.8	5%	0.052	17%	0.165	C	C	.	.			trans	-60.5	162.5	-171.6	0	0	0	0	0	114.4	E276 E292 R323 E526	E276-G290 WeakPolarHBondContact OE2-CA 3.45Å; G290-E292 VanDerWaalsContact C-N 3.32Å; G290-E292 VanDerWaalsContact CA-OE2 3.26Å; G290-E292 WeakPolarHBondContact CA-OE2 3.1Å; G290-R323 VanDerWaalsContact O-CD 3.27Å; G290-R323 WeakPolarHBondContact O-CD 3.32Å; G290-R323 PolarHBondContact O-NE 3.02Å; G290-E526 PolarHBondContact N-OE1 2.97Å
291	L	96.3	Very high	94.9	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.15	C	C	.	.			trans	-86	1.1	-176.4	-169.6	55.1	0	0	0	113.6	E276 G293 C294 L297 I298 N327	E276-L291 VanDerWaalsContact CD-N 3.32Å; E276-L291 HydrophobicContact CG-CB 4.2Å; E276-L291 WeakPolarHBondContact OE1-CB 3.41Å; E276-L291 PolarHBondContact OE1-N 3.02Å; E276-L291 VanDerWaalsContact OE1-N 3.13Å; L291-G293 PolarHBondContact O-N 2.78Å; L291-C294 HydrophobicContact CD1-CB 4.03Å; L291-C294 WeakPolarHBondContact CD1-O 3.32Å; L291-C294 WeakPolarHBondContact CG-O 3.33Å; L291-C294 CarbonylContact O-C 3.48Å; L291-C294 PolarHBondContact O-N 2.89Å; L291-L297 HydrophobicContact CD1-CB 3.97Å; L291-L297 HydrophobicContact CD1-CD2 3.63Å; L291-L297 HydrophobicContact CD1-CG 4.45Å; L291-L297 HydrophobicContact CD2-CB 4.03Å; L291-L297 HydrophobicContact CD2-CD2 4.31Å; L291-I298 HydrophobicContact CD2-CD1 4.13Å; L291-I298 HydrophobicContact CD2-CG1 3.78Å; L291-N327 HydrophobicContact CD2-CB 4.32Å
292	E	97.1	Very high	95.1	Very high	23 Å²	23	25.6 Å²	25.6	11%	0.107	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	127.2	-169.4	-55	99.1	136	0	0	112.5	E276 R288 G290 E295 R323 R521	E276-E292 HydrophobicContact CB-CG 3.85Å; E276-E292 HydrophobicContact CG-CG 4.21Å; R288-E292 IonicContact CZ-OE1 2.78Å; R288-E292 IonicContact NE-OE1 3.29Å; R288-E292 IonicContact NH2-OE1 3.92Å; R288-E292 PolarHBondContact NH2-OE1 3.33Å; G290-E292 VanDerWaalsContact C-N 3.32Å; G290-E292 VanDerWaalsContact CA-OE2 3.26Å; G290-E292 WeakPolarHBondContact CA-OE2 3.1Å; E292-E295 VanDerWaalsContact CA-OE1 3.29Å; E292-E295 WeakPolarHBondContact CA-OE1 3.33Å; E292-R323 PolarHBondContact O-NH2 3.48Å; E292-R521 HydrophobicContact CB-CB 3.5Å; E292-R521 VanDerWaalsContact CB-CB 3.5Å; E292-R521 HydrophobicContact CB-CG 4.08Å; E292-R521 PolarHBondContact O-N 3.41Å
293	G	96.9	Very high	95.2	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.01	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.4	-5.1	-169.6	0	0	0	0	0	115.1	L291 E295 C518 Y519	L291-G293 PolarHBondContact O-N 2.78Å; G293-E295 WeakPolarHBondContact CA-OE2 3.44Å; G293-E295 VanDerWaalsContact N-CD 3.3Å; G293-E295 PolarHBondContact N-OE1 3.07Å; G293-E295 VanDerWaalsContact N-OE1 3.08Å; G293-E295 PolarHBondContact N-OE2 2.84Å; G293-C518 WeakPolarHBondContact O-CB 3.37Å; G293-Y519 CarbonylContact C-O 3.45Å; G293-Y519 VanDerWaalsContact CA-CE2 3.44Å; G293-Y519 PolarHBondContact O-N 2.68Å
294	C	98.1	Very high	95.5	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.007	12%	0.119	C	C	.	.			trans	-142.5	36.6	171.6	-163.6	0	0	0	0	111.8	L291 V296 L297 V453 C518	L291-C294 HydrophobicContact CD1-CB 4.03Å; L291-C294 WeakPolarHBondContact CD1-O 3.32Å; L291-C294 WeakPolarHBondContact CG-O 3.33Å; L291-C294 CarbonylContact O-C 3.48Å; L291-C294 PolarHBondContact O-N 2.89Å; C294-V296 PolarHBondContact O-N 3.38Å; C294-L297 WeakPolarHBondContact O-CB 3.49Å; C294-L297 PolarHBondContact O-N 2.9Å; C294-V453 HydrophobicContact CB-CG1 4.15Å; C294-C518 HydrophobicContact CB-CB 3.71Å
295	E	98.1	Very high	96	Very high	10 Å²	10	18.7 Å²	18.7	5%	0.047	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-21	-177.2	-61.9	86.9	165.2	0	0	112.5	S272 E292 G293 L297 I298 P299 V547	S272-E295 VanDerWaalsContact CB-O 3.31Å; S272-E295 WeakPolarHBondContact CB-O 3.45Å; S272-E295 WeakPolarHBondContact OG-CA 3.5Å; S272-E295 PolarHBondContact OG-O 2.86Å; E292-E295 VanDerWaalsContact CA-OE1 3.29Å; E292-E295 WeakPolarHBondContact CA-OE1 3.33Å; G293-E295 WeakPolarHBondContact CA-OE2 3.44Å; G293-E295 VanDerWaalsContact N-CD 3.3Å; G293-E295 PolarHBondContact N-OE1 3.07Å; G293-E295 VanDerWaalsContact N-OE1 3.08Å; G293-E295 PolarHBondContact N-OE2 2.84Å; E295-L297 PolarHBondContact O-N 2.65Å; E295-I298 PolarHBondContact O-N 2.9Å; E295-P299 WeakPolarHBondContact O-CD 3.38Å; E295-V547 HydrophobicContact CB-CG1 4.03Å
296	V	98.4	Very high	96.5	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-16.3	174.3	80	0	0	0	0	113.8	L269 C294 I298 P299 A300 P491 V494 M495	L269-V296 HydrophobicContact CD2-CB 4.34Å; L269-V296 HydrophobicContact CD2-CG2 4.45Å; C294-V296 PolarHBondContact O-N 3.38Å; V296-I298 PolarHBondContact O-N 3.24Å; V296-P299 HydrophobicContact CG2-CG 4.17Å; V296-P299 WeakPolarHBondContact O-CD 3.44Å; V296-P299 WeakPolarHBondContact O-CG 3.32Å; V296-A300 VanDerWaalsContact O-CB 3.28Å; V296-A300 WeakPolarHBondContact O-CB 3.45Å; V296-A300 PolarHBondContact O-N 3.44Å; V296-P491 HydrophobicContact CG2-CB 4.09Å; V296-P491 HydrophobicContact CG2-CG 4.49Å; V296-V494 HydrophobicContact CG1-CG1 4.33Å; V296-V494 HydrophobicContact CG1-CG2 4.19Å; V296-V494 HydrophobicContact CG2-CB 3.9Å; V296-V494 HydrophobicContact CG2-CG1 3.91Å; V296-V494 HydrophobicContact CG2-CG2 4.02Å; V296-M495 HydrophobicContact CG2-CE 4.25Å
297	L	98.6	Very high	96.9	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-56.3	-38.6	176.6	176.6	65.6	0	0	0	112.3	L291 C294 E295 A300 L301 V328 L419 V451 V453 L516	L291-L297 HydrophobicContact CD1-CB 3.97Å; L291-L297 HydrophobicContact CD1-CD2 3.63Å; L291-L297 HydrophobicContact CD1-CG 4.45Å; L291-L297 HydrophobicContact CD2-CB 4.03Å; L291-L297 HydrophobicContact CD2-CD2 4.31Å; C294-L297 WeakPolarHBondContact O-CB 3.49Å; C294-L297 PolarHBondContact O-N 2.9Å; E295-L297 PolarHBondContact O-N 2.65Å; L297-A300 WeakPolarHBondContact O-CB 3.45Å; L297-A300 PolarHBondContact O-N 3.28Å; L297-L301 HydrophobicContact CD1-CD1 4.18Å; L297-L301 HydrophobicContact CD1-CD2 4.44Å; L297-L301 HydrophobicContact CD1-CG 4.02Å; L297-L301 HydrophobicContact CG-CD1 4.12Å; L297-L301 HydrophobicContact CG-CG 4.37Å; L297-L301 WeakPolarHBondContact O-CG 3.48Å; L297-L301 PolarHBondContact O-N 2.77Å; L297-V328 HydrophobicContact CD2-CG2 4.42Å; L297-L419 HydrophobicContact CD1-CD2 3.94Å; L297-L419 HydrophobicContact CD2-CD2 4.01Å; L297-L419 HydrophobicContact CG-CD2 4.42Å; L297-V451 HydrophobicContact CD1-CG1 3.78Å; L297-V453 HydrophobicContact CD1-CG2 4.25Å; L297-V453 HydrophobicContact CD2-CG2 4.01Å; L297-L516 HydrophobicContact CB-CD1 4.43Å; L297-L516 HydrophobicContact CD1-CD1 3.8Å
298	I	98.5	Very high	97.3	Very high	2 Å²	2	9.2 Å²	9.2	1%	0.01	5%	0.045	C	C	.	.	H	α-helix	trans	-64.7	-53.6	-179.6	-59.4	-60.2	0	0	0	112	S272 L291 E295 V296 A300 K302 N327 V328 N331 V332	S272-I298 WeakPolarHBondContact OG-CG1 3.23Å; L291-I298 HydrophobicContact CD2-CD1 4.13Å; L291-I298 HydrophobicContact CD2-CG1 3.78Å; E295-I298 PolarHBondContact O-N 2.9Å; V296-I298 PolarHBondContact O-N 3.24Å; I298-A300 VanDerWaalsContact C-N 3.26Å; I298-A300 PolarHBondContact O-N 3.12Å; I298-K302 WeakPolarHBondContact O-CG 3.42Å; I298-K302 PolarHBondContact O-N 3.02Å; I298-K302 VanDerWaalsContact O-N 3.16Å; I298-N327 HydrophobicContact CD1-CB 4.02Å; I298-N327 WeakPolarHBondContact CD1-OD1 3.32Å; I298-N327 WeakPolarHBondContact CG1-OD1 3.23Å; I298-V328 HydrophobicContact CD1-CG2 3.97Å; I298-N331 HydrophobicContact CG2-CB 3.81Å; I298-V332 HydrophobicContact CD1-CG2 3.93Å; I298-V332 HydrophobicContact CG2-CG2 4.22Å
299	P	98.3	Very high	97.5	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-61	-34.9	172.5	18.5	-27.3	0	0	0	112.7	L265 R268 L269 E295 V296 K302 T303 M495	L265-P299 HydrophobicContact CD1-CB 3.59Å; L265-P299 HydrophobicContact CD1-CG 3.88Å; R268-P299 HydrophobicContact CB-CB 3.78Å; R268-P299 HydrophobicContact CB-CG 4.33Å; L269-P299 HydrophobicContact CD2-CG 3.81Å; L269-P299 HydrophobicContact CG-CG 4.1Å; E295-P299 WeakPolarHBondContact O-CD 3.38Å; V296-P299 HydrophobicContact CG2-CG 4.17Å; V296-P299 WeakPolarHBondContact O-CD 3.44Å; V296-P299 WeakPolarHBondContact O-CG 3.32Å; P299-K302 PolarHBondContact O-N 3.33Å; P299-T303 WeakPolarHBondContact O-CB 3.25Å; P299-T303 PolarHBondContact O-N 3.37Å; P299-T303 PolarHBondContact O-OG1 3.29Å; P299-M495 HydrophobicContact CB-CE 3.88Å; P299-M495 HydrophobicContact CB-SD 3.8Å; P299-M495 HydrophobicContact CG-CE 4.34Å
300	A	98.6	Very high	97.6	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-59.1	-53.8	178.6	0	0	0	0	0	112.1	V296 L297 I298 K302 T303 I304 V494 M495 C498	V296-A300 VanDerWaalsContact O-CB 3.28Å; V296-A300 WeakPolarHBondContact O-CB 3.45Å; V296-A300 PolarHBondContact O-N 3.44Å; L297-A300 WeakPolarHBondContact O-CB 3.45Å; L297-A300 PolarHBondContact O-N 3.28Å; I298-A300 VanDerWaalsContact C-N 3.26Å; I298-A300 PolarHBondContact O-N 3.12Å; A300-K302 VanDerWaalsContact C-N 3.32Å; A300-K302 PolarHBondContact O-N 3.18Å; A300-T303 PolarHBondContact O-N 3.25Å; A300-T303 VanDerWaalsContact O-N 3.17Å; A300-I304 WeakPolarHBondContact O-CG1 3.43Å; A300-I304 PolarHBondContact O-N 2.94Å; A300-V494 HydrophobicContact CB-CG1 3.76Å; A300-M495 HydrophobicContact CB-CE 4.13Å; A300-C498 VanDerWaalsContact CB-SG 3.6Å
301	L	98.6	Very high	97.8	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-60.4	-42.2	177.3	-68.4	173.4	0	0	0	111.9	L297 T303 I304 I305 V328 V332 I417 L419 V451	L297-L301 HydrophobicContact CD1-CD1 4.18Å; L297-L301 HydrophobicContact CD1-CD2 4.44Å; L297-L301 HydrophobicContact CD1-CG 4.02Å; L297-L301 HydrophobicContact CG-CD1 4.12Å; L297-L301 HydrophobicContact CG-CG 4.37Å; L297-L301 WeakPolarHBondContact O-CG 3.48Å; L297-L301 PolarHBondContact O-N 2.77Å; L301-T303 VanDerWaalsContact C-N 3.31Å; L301-T303 PolarHBondContact O-N 3.37Å; L301-I304 PolarHBondContact O-N 3.18Å; L301-I305 WeakPolarHBondContact O-CB 3.29Å; L301-I305 VanDerWaalsContact O-CG1 3.24Å; L301-I305 WeakPolarHBondContact O-CG1 3.35Å; L301-I305 PolarHBondContact O-N 2.91Å; L301-V328 HydrophobicContact CD1-CG1 4.16Å; L301-V328 HydrophobicContact CD1-CG2 3.71Å; L301-V332 HydrophobicContact CB-CG1 4.31Å; L301-V332 HydrophobicContact CB-CG2 4.17Å; L301-V332 HydrophobicContact CD1-CG2 4.04Å; L301-I417 HydrophobicContact CD2-CG2 4.05Å; L301-L419 HydrophobicContact CD1-CD2 4.04Å; L301-L419 HydrophobicContact CD2-CD1 4.04Å; L301-L419 HydrophobicContact CD2-CD2 4.25Å; L301-L419 HydrophobicContact CD2-CG 4.34Å; L301-V451 HydrophobicContact CD2-CG2 4.33Å
302	K	97.7	Very high	97.7	Very high	42 Å²	42	16.9 Å²	16.9	18%	0.183	9%	0.087	C	C	.	.	H	α-helix	trans	-63.8	-38.7	177.7	-70	-167.8	68.4	166.6	0	111.7	R268 I298 P299 A300 I305 D306 V332	R268-K302 HydrophobicContact CG-CD 4.29Å; I298-K302 WeakPolarHBondContact O-CG 3.42Å; I298-K302 PolarHBondContact O-N 3.02Å; I298-K302 VanDerWaalsContact O-N 3.16Å; P299-K302 PolarHBondContact O-N 3.33Å; A300-K302 VanDerWaalsContact C-N 3.32Å; A300-K302 PolarHBondContact O-N 3.18Å; K302-I305 PolarHBondContact O-N 2.83Å; K302-D306 VanDerWaalsContact O-CB 3.28Å; K302-D306 WeakPolarHBondContact O-CB 2.92Å; K302-D306 PolarHBondContact O-N 3.46Å; K302-D306 VanDerWaalsContact O-OD2 3.05Å; K302-V332 HydrophobicContact CG-CG2 4.34Å
303	T	98.1	Very high	97.7	Very high	24 Å²	24	16 Å²	16	15%	0.147	8%	0.083	C	C	.	.	H	α-helix	trans	-64.8	-41.3	176.2	-64.3	0	0	0	0	112.1	P299 A300 L301 K307 M495 C498 K499	P299-T303 WeakPolarHBondContact O-CB 3.25Å; P299-T303 PolarHBondContact O-N 3.37Å; P299-T303 PolarHBondContact O-OG1 3.29Å; A300-T303 PolarHBondContact O-N 3.25Å; A300-T303 VanDerWaalsContact O-N 3.17Å; L301-T303 VanDerWaalsContact C-N 3.31Å; L301-T303 PolarHBondContact O-N 3.37Å; T303-K307 WeakPolarHBondContact O-CB 3.48Å; T303-K307 PolarHBondContact O-N 3.15Å; T303-M495 HydrophobicContact CG2-SD 4.44Å; T303-M495 PolarHBondContact OG1-SD 3.23Å; T303-C498 HydrophobicContact CG2-CB 4.16Å; T303-K499 HydrophobicContact CG2-CB 4.33Å
304	I	98.6	Very high	97.7	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-59.3	-49.8	173.1	-63.7	163	0	0	0	109.9	A300 L301 K307 S308 M415 I417 V449 V451 C498 A502	A300-I304 WeakPolarHBondContact O-CG1 3.43Å; A300-I304 PolarHBondContact O-N 2.94Å; L301-I304 PolarHBondContact O-N 3.18Å; I304-K307 PolarHBondContact O-N 2.54Å; I304-S308 VanDerWaalsContact O-CB 3.25Å; I304-S308 WeakPolarHBondContact O-CB 3.36Å; I304-S308 PolarHBondContact O-N 3.27Å; I304-S308 PolarHBondContact O-OG 2.83Å; I304-M415 HydrophobicContact CG2-CE 4.4Å; I304-I417 HydrophobicContact CB-CD1 4.37Å; I304-I417 HydrophobicContact CG2-CD1 3.67Å; I304-I417 HydrophobicContact CG2-CG1 4.32Å; I304-V449 HydrophobicContact CD1-CG1 3.83Å; I304-V449 HydrophobicContact CG1-CG1 4.44Å; I304-V449 HydrophobicContact CG2-CB 4.4Å; I304-V449 HydrophobicContact CG2-CG1 4.22Å; I304-V449 HydrophobicContact CG2-CG2 4.29Å; I304-V451 HydrophobicContact CD1-CG2 3.84Å; I304-C498 HydrophobicContact CD1-CB 4.35Å; I304-C498 HydrophobicContact CG1-CB 3.8Å; I304-A502 HydrophobicContact CG2-CB 4.38Å
305	I	98.2	Very high	97.7	Very high	3 Å²	3	20.7 Å²	20.7	2%	0.015	10%	0.104	C	C	.	.	H	α-helix	trans	-63.9	-45.2	-178	-69.3	166.9	0	0	0	111.6	L301 K302 S309 V332 I377 L379 I417	L301-I305 WeakPolarHBondContact O-CB 3.29Å; L301-I305 VanDerWaalsContact O-CG1 3.24Å; L301-I305 WeakPolarHBondContact O-CG1 3.35Å; L301-I305 PolarHBondContact O-N 2.91Å; K302-I305 PolarHBondContact O-N 2.83Å; I305-S309 WeakPolarHBondContact O-CB 3.43Å; I305-S309 PolarHBondContact O-N 3.18Å; I305-V332 HydrophobicContact CD1-CG1 3.55Å; I305-I377 HydrophobicContact CG2-CD1 3.5Å; I305-I377 VanDerWaalsContact CG2-CD1 3.5Å; I305-L379 HydrophobicContact CD1-CD2 4.25Å; I305-L379 HydrophobicContact CG2-CD2 4.35Å; I305-I417 HydrophobicContact CG1-CD1 4Å
306	D	97.2	Very high	97.7	Very high	17 Å²	17	20.2 Å²	20.2	9%	0.091	10%	0.102	C	C	.	.	H	α-helix	trans	-62.9	-47	179.8	-64.8	-24.7	0	0	0	110.3	R268 K302 S309 E310 N370 V372	R268-D306 IonicContact CZ-OD2 3.46Å; R268-D306 VanDerWaalsContact CZ-OD2 3.23Å; R268-D306 IonicContact NH1-OD2 3.64Å; R268-D306 PolarHBondContact NH1-OD2 3.28Å; R268-D306 IonicContact NH2-OD2 2.93Å; R268-D306 PolarHBondContact NH2-OD2 3.15Å; K302-D306 VanDerWaalsContact O-CB 3.28Å; K302-D306 WeakPolarHBondContact O-CB 2.92Å; K302-D306 PolarHBondContact O-N 3.46Å; K302-D306 VanDerWaalsContact O-OD2 3.05Å; D306-S309 PolarHBondContact O-N 2.96Å; D306-E310 PolarHBondContact O-N 3.01Å; D306-N370 PolarHBondContact OD1-ND2 3.34Å; D306-N370 PolarHBondContact OD1-OD1 3.02Å; D306-V372 HydrophobicContact CB-CB 4.47Å; D306-V372 HydrophobicContact CB-CG1 4.38Å
307	K	97.7	Very high	97.7	Very high	34 Å²	34	20.3 Å²	20.3	15%	0.148	10%	0.103	C	C	.	.	H	α-helix	trans	-69.4	-39.7	-178.9	-169.5	58.1	-179.3	171.7	0	112.6	T303 I304 S309 E310 N311 K499 A502 E503	T303-K307 WeakPolarHBondContact O-CB 3.48Å; T303-K307 PolarHBondContact O-N 3.15Å; I304-K307 PolarHBondContact O-N 2.54Å; K307-S309 VanDerWaalsContact C-N 3.33Å; K307-E310 WeakPolarHBondContact CD-OE2 2.92Å; K307-E310 IonicContact NZ-OE1 3.64Å; K307-E310 PolarHBondContact NZ-OE1 3.01Å; K307-E310 VanDerWaalsContact NZ-OE1 3.13Å; K307-E310 IonicContact NZ-OE2 2.62Å; K307-E310 PolarHBondContact NZ-OE2 3.17Å; K307-E310 WeakPolarHBondContact O-CB 3.37Å; K307-E310 PolarHBondContact O-N 3.39Å; K307-N311 VanDerWaalsContact O-CG 3.28Å; K307-N311 PolarHBondContact O-N 3.11Å; K307-N311 PolarHBondContact O-ND2 3.17Å; K307-K499 HydrophobicContact CD-CG 4.37Å; K307-K499 HydrophobicContact CG-CG 4.17Å; K307-A502 HydrophobicContact CB-CB 3.88Å; K307-A502 HydrophobicContact CG-CB 4.03Å; K307-E503 WeakPolarHBondContact CE-OE1 3.23Å; K307-E503 HydrophobicContact CG-CG 4.19Å; K307-E503 IonicContact NZ-OE1 2.61Å
308	S	97.9	Very high	97.7	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.014	10%	0.103	C	C	.	.	H	α-helix	trans	-63.6	-39.5	173	-67.9	0	0	0	0	112.2	I304 N311 G312 V313 M415	I304-S308 VanDerWaalsContact O-CB 3.25Å; I304-S308 WeakPolarHBondContact O-CB 3.36Å; I304-S308 PolarHBondContact O-N 3.27Å; I304-S308 PolarHBondContact O-OG 2.83Å; S308-N311 CarbonylContact O-C 3.58Å; S308-N311 PolarHBondContact O-N 3.29Å; S308-G312 PolarHBondContact O-N 3.09Å; S308-G312 VanDerWaalsContact O-N 3.17Å; S308-V313 WeakPolarHBondContact O-CB 3.35Å; S308-V313 WeakPolarHBondContact O-CG2 3.5Å; S308-V313 PolarHBondContact O-N 2.98Å; S308-M415 WeakPolarHBondContact CB-SD 3.07Å; S308-M415 PolarHBondContact OG-SD 2.79Å
309	S	97.1	Very high	97.7	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-64.9	-40.3	175.9	-176.4	0	0	0	0	111.9	I305 D306 K307 N311 G312 V313 T373 R375	I305-S309 WeakPolarHBondContact O-CB 3.43Å; I305-S309 PolarHBondContact O-N 3.18Å; D306-S309 PolarHBondContact O-N 2.96Å; K307-S309 VanDerWaalsContact C-N 3.33Å; S309-N311 PolarHBondContact O-N 2.82Å; S309-G312 PolarHBondContact O-N 3.29Å; S309-V313 WeakPolarHBondContact CA-O 3.5Å; S309-T373 PolarHBondContact OG-OG1 3.15Å; S309-R375 WeakPolarHBondContact O-CD 3.37Å; S309-R375 VanDerWaalsContact O-CZ 3.25Å; S309-R375 PolarHBondContact O-NE 3.32Å; S309-R375 PolarHBondContact O-NH1 3.44Å
310	E	96.5	Very high	97.6	Very high	116 Å²	116	20.6 Å²	20.6	54%	0.542	10%	0.104	S	C	.	.	H	α-helix	trans	-58.5	-41	172.2	-167.4	-170.1	159.1	0	0	110.7	D306 K307 G312 T373	D306-E310 PolarHBondContact O-N 3.01Å; K307-E310 WeakPolarHBondContact CD-OE2 2.92Å; K307-E310 IonicContact NZ-OE1 3.64Å; K307-E310 PolarHBondContact NZ-OE1 3.01Å; K307-E310 VanDerWaalsContact NZ-OE1 3.13Å; K307-E310 IonicContact NZ-OE2 2.62Å; K307-E310 PolarHBondContact NZ-OE2 3.17Å; K307-E310 WeakPolarHBondContact O-CB 3.37Å; K307-E310 PolarHBondContact O-N 3.39Å; E310-G312 VanDerWaalsContact C-N 3.35Å; E310-G312 PolarHBondContact O-N 3.35Å; E310-T373 HydrophobicContact CB-CG2 4.07Å
311	N	96.4	Very high	97.6	Very high	62 Å²	62	21.1 Å²	21.1	33%	0.332	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-3.8	-177.7	-70.2	-16.1	0	0	0	115.6	K307 S308 S309	K307-N311 VanDerWaalsContact O-CG 3.28Å; K307-N311 PolarHBondContact O-N 3.11Å; K307-N311 PolarHBondContact O-ND2 3.17Å; S308-N311 CarbonylContact O-C 3.58Å; S308-N311 PolarHBondContact O-N 3.29Å; S309-N311 PolarHBondContact O-N 2.82Å
312	G	95.3	Very high	97.4	Very high	17 Å²	17	23.1 Å²	23.1	18%	0.175	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	130.2	-15.9	177.8	0	0	0	0	0	116.5	S308 S309 E310 R375 K412	S308-G312 PolarHBondContact O-N 3.09Å; S308-G312 VanDerWaalsContact O-N 3.17Å; S309-G312 PolarHBondContact O-N 3.29Å; E310-G312 VanDerWaalsContact C-N 3.35Å; E310-G312 PolarHBondContact O-N 3.35Å; G312-R375 VanDerWaalsContact C-NH2 3.29Å; G312-R375 PolarHBondContact O-NH2 2.96Å; G312-K412 CarbonylContact C-O 3.49Å; G312-K412 VanDerWaalsContact C-O 3.32Å
313	V	97.8	Very high	97.4	Very high	4 Å²	4	21.9 Å²	21.9	2%	0.024	11%	0.111	C	C	.	.			trans	-74.7	128.7	-171.6	176	0	0	0	0	111.7	S308 S309 Y315 V316 K412 K413 M415	S308-V313 WeakPolarHBondContact O-CB 3.35Å; S308-V313 WeakPolarHBondContact O-CG2 3.5Å; S308-V313 PolarHBondContact O-N 2.98Å; S309-V313 WeakPolarHBondContact CA-O 3.5Å; V313-Y315 WeakPolarHBondContact CG1-O 3.01Å; V313-V316 HydrophobicContact CG1-CG2 3.96Å; V313-K412 PolarHBondContact N-O 3.26Å; V313-K413 CarbonylContact C-O 3.57Å; V313-M415 HydrophobicContact CB-SD 4.48Å; V313-M415 HydrophobicContact CG1-CB 4.36Å; V313-M415 HydrophobicContact CG1-CG 3.78Å; V313-M415 HydrophobicContact CG1-SD 4Å; V313-M415 HydrophobicContact CG2-CB 4.5Å; V313-M415 HydrophobicContact CG2-CG 4.43Å; V313-M415 HydrophobicContact CG2-SD 4.06Å
314	D	96.6	Very high	97.3	Very high	48 Å²	48	20.8 Å²	20.8	26%	0.257	11%	0.105	S	C	.	.			trans	-107.2	-21.7	177.1	-59.6	-36.8	0	0	0	112.1	R375 I377 T378 K413	D314-R375 IonicContact OD1-CZ 3.41Å; D314-R375 IonicContact OD1-NE 3.27Å; D314-R375 IonicContact OD1-NH2 3.32Å; D314-R375 PolarHBondContact OD1-NH2 3.37Å; D314-I377 CarbonylContact O-C 3.54Å; D314-I377 WeakPolarHBondContact O-CA 3.36Å; D314-T378 PolarHBondContact O-N 3.25Å; D314-K413 PolarHBondContact N-O 2.78Å
315	Y	97.4	Very high	97.2	Very high	53 Å²	53	20.8 Å²	20.8	21%	0.208	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	131.5	-178.5	-63	-102.3	0	0	0	111.7	V313 T378 K413 V414 M415	V313-Y315 WeakPolarHBondContact CG1-O 3.01Å; Y315-T378 CarbonylContact C-O 3.41Å; Y315-T378 WeakPolarHBondContact CA-O 3.4Å; Y315-T378 VanDerWaalsContact CD1-CB 3.42Å; Y315-T378 HydrophobicContact CD1-CG2 3.65Å; Y315-T378 HydrophobicContact CE1-CG2 3.89Å; Y315-K413 PolarHBondContact N-O 3.08Å; Y315-V414 HydrophobicContact CD2-CG2 3.95Å; Y315-V414 HydrophobicContact CG-CG2 4.19Å; Y315-V414 WeakPolarHBondContact O-CA 3.29Å; Y315-M415 PolarHBondContact O-N 2.89Å
316	V	98.1	Very high	97.1	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	111.8	172.7	-174.6	0	0	0	0	109	V313 M318 I377 T378 L379 S380 M415 I417	V313-V316 HydrophobicContact CG1-CG2 3.96Å; V316-M318 HydrophobicContact CG1-CE 4.29Å; V316-M318 HydrophobicContact CG1-CG 3.95Å; V316-M318 HydrophobicContact CG1-SD 4.37Å; V316-I377 HydrophobicContact CG2-CD1 4.01Å; V316-I377 HydrophobicContact CG2-CG1 4.5Å; V316-T378 PolarHBondContact N-O 2.89Å; V316-L379 HydrophobicContact CB-CD2 3.76Å; V316-L379 HydrophobicContact CG2-CD2 4.11Å; V316-L379 WeakPolarHBondContact O-CA 3.45Å; V316-S380 PolarHBondContact O-N 3.44Å; V316-M415 WeakPolarHBondContact CA-O 3.35Å; V316-M415 HydrophobicContact CB-CG 4.41Å; V316-M415 HydrophobicContact CG1-CG 4.25Å; V316-M415 HydrophobicContact CG2-CG 3.97Å; V316-M415 HydrophobicContact CG2-SD 4.29Å; V316-I417 HydrophobicContact CG1-CB 4.48Å; V316-I417 HydrophobicContact CG1-CD1 3.59Å; V316-I417 HydrophobicContact CG1-CG1 3.76Å
317	I	98.3	Very high	97.1	Very high	2 Å²	2	20.2 Å²	20.2	1%	0.01	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	133.1	174.7	-43.9	-56.6	0	0	0	108.4	S380 V382 V395 K398 T399 E402 V414 M415 S416 I417	I317-S380 CarbonylContact C-O 3.34Å; I317-S380 WeakPolarHBondContact CA-O 3.41Å; I317-V382 HydrophobicContact CG2-CG2 4.19Å; I317-V395 HydrophobicContact CB-CG1 4.38Å; I317-V395 HydrophobicContact CG2-CG1 4Å; I317-K398 HydrophobicContact CG2-CB 4.31Å; I317-K398 HydrophobicContact CG2-CD 3.96Å; I317-K398 HydrophobicContact CG2-CG 4.15Å; I317-T399 WeakPolarHBondContact CB-OG1 3.48Å; I317-E402 HydrophobicContact CD1-CG 4.28Å; I317-V414 HydrophobicContact CG1-CG1 4.44Å; I317-M415 PolarHBondContact N-O 2.81Å; I317-S416 CarbonylContact O-C 3.54Å; I317-S416 VanDerWaalsContact O-CA 3.23Å; I317-S416 WeakPolarHBondContact O-CA 3.22Å; I317-I417 PolarHBondContact O-N 3.34Å
318	M	98.4	Very high	97.1	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.005	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	141.7	-171.1	-64.7	-177.7	-97.7	0	0	112.1	V316 I333 L379 S380 L381 V382 I417	V316-M318 HydrophobicContact CG1-CE 4.29Å; V316-M318 HydrophobicContact CG1-CG 3.95Å; V316-M318 HydrophobicContact CG1-SD 4.37Å; M318-I333 HydrophobicContact CE-CD1 3.11Å; M318-I333 HydrophobicContact SD-CD1 4.1Å; M318-L379 HydrophobicContact CE-CB 3.87Å; M318-L379 HydrophobicContact CE-CD1 4.47Å; M318-L379 HydrophobicContact CE-CD2 3.96Å; M318-L379 HydrophobicContact CE-CG 4.31Å; M318-S380 PolarHBondContact N-O 2.71Å; M318-L381 HydrophobicContact CB-CD1 3.99Å; M318-V382 PolarHBondContact O-N 3.23Å; M318-I417 VanDerWaalsContact CA-O 3.26Å; M318-I417 WeakPolarHBondContact CA-O 3.21Å; M318-I417 HydrophobicContact CG-CB 4.15Å
319	G	98.3	Very high	97	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	140.6	164.1	0	0	0	0	0	109.6	I417 L419	G319-I417 PolarHBondContact N-O 3.44Å; G319-L419 PolarHBondContact O-N 2.78Å
320	M	97.7	Very high	96.9	Very high	7 Å²	7	18.6 Å²	18.6	3%	0.034	10%	0.095	C	C	.	.			trans	-155.2	152.6	173.9	73.2	-179.9	-66.4	0	0	112.8	R323 R325 V328 L381 N384 L419	M320-R323 WeakPolarHBondContact CE-O 3.25Å; M320-R325 HydrophobicContact CE-CB 3.76Å; M320-R325 HydrophobicContact CE-CG 4.12Å; M320-R325 HydrophobicContact CG-CB 4.5Å; M320-R325 HydrophobicContact CG-CG 4.01Å; M320-R325 PolarHBondContact O-NH1 2.83Å; M320-R325 HydrophobicContact SD-CB 4.06Å; M320-R325 HydrophobicContact SD-CG 3.72Å; M320-V328 HydrophobicContact CE-CB 4.06Å; M320-V328 HydrophobicContact CE-CG2 3.68Å; M320-V328 HydrophobicContact SD-CB 3.68Å; M320-V328 HydrophobicContact SD-CG1 3.7Å; M320-V328 HydrophobicContact SD-CG2 3.89Å; M320-L381 HydrophobicContact CG-CD1 3.78Å; M320-L381 HydrophobicContact CG-CD2 4.45Å; M320-L381 HydrophobicContact SD-CD1 4.27Å; M320-L381 HydrophobicContact SD-CD2 4.25Å; M320-N384 PolarHBondContact O-OD1 3.27Å; M320-N384 VanDerWaalsContact O-OD1 3.1Å; M320-L419 HydrophobicContact CB-CB 3.61Å; M320-L419 HydrophobicContact CB-CD1 4.07Å; M320-L419 HydrophobicContact CB-CD2 4.23Å; M320-L419 HydrophobicContact CB-CG 4.17Å; M320-L419 HydrophobicContact CE-CD2 4.09Å
321	P	96.7	Very high	96.9	Very high	12 Å²	12	13.3 Å²	13.3	8%	0.078	7%	0.07	C	C	.	.			trans	-77.5	-160.2	172.2	35	-40.2	0	0	0	111.3	L388 L419	P321-L388 HydrophobicContact CB-CD2 3.87Å; P321-L419 WeakPolarHBondContact CD-O 3.45Å
322	H	95.8	Very high	96.9	Very high	41 Å²	41	10.4 Å²	10.4	19%	0.19	5%	0.054	C	C	.	.	S	Bend	trans	-70.8	-33	-178.8	50.9	-91.3	0	0	0	114	F289 G324 R325 H524	F289-H322 HydrophobicContact CB-CB 3.96Å; F289-H322 HydrophobicContact CD1-CB 4.44Å; F289-H322 AromaticContact CD1-CD2 3.41Å; F289-H322 VanDerWaalsContact CD1-CD2 3.41Å; F289-H322 WeakPolarHBondContact CD1-CD2 3.37Å; F289-H322 HydrophobicContact CD2-CB 3.88Å; F289-H322 HydrophobicContact CE2-CB 4.49Å; F289-H322 HydrophobicContact CG-CB 3.85Å; F289-H322 AromaticContact CG-CD2 3.59Å; F289-H322 AromaticContact CG-CG 3.94Å; H322-G324 PolarHBondContact O-N 3.32Å; H322-G324 VanDerWaalsContact O-N 3.08Å; H322-R325 PolarHBondContact O-N 2.9Å; H322-R325 VanDerWaalsContact O-N 3.12Å; H322-H524 AromaticContact CE1-CE1 3.95Å; H322-H524 AromaticContact NE2-CE1 3.47Å; H322-H524 PolarHBondContact NE2-CE1 3.04Å
323	R	97.3	Very high	96.8	Very high	17 Å²	17	9.6 Å²	9.6	6%	0.064	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	111.7	-167.8	-172	63.1	179.2	-86.7	-7.4	111.9	G290 E292 M320 R325 V453 N455 Y519 R520	G290-R323 VanDerWaalsContact O-CD 3.27Å; G290-R323 WeakPolarHBondContact O-CD 3.32Å; G290-R323 PolarHBondContact O-NE 3.02Å; E292-R323 PolarHBondContact O-NH2 3.48Å; M320-R323 WeakPolarHBondContact CE-O 3.25Å; R323-R325 PolarHBondContact O-N 3.26Å; R323-V453 HydrophobicContact CG-CG1 4Å; R323-N455 PolarHBondContact NH1-ND2 2.95Å; R323-N455 PolarHBondContact NH1-OD1 3.49Å; R323-Y519 PolarHBondContact NH2-O 2.88Å; R323-R520 VanDerWaalsContact NH2-CA 3.34Å
324	G	96.4	Very high	96.5	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.01	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.4	14.5	-180	0	0	0	0	0	115	F289 H322 L326 N327 V328	F289-G324 PolarHBondContact O-N 3.16Å; H322-G324 PolarHBondContact O-N 3.32Å; H322-G324 VanDerWaalsContact O-N 3.08Å; G324-L326 PolarHBondContact O-N 2.97Å; G324-N327 VanDerWaalsContact O-CB 3.3Å; G324-N327 WeakPolarHBondContact O-CB 3.15Å; G324-N327 PolarHBondContact O-N 3Å; G324-N327 VanDerWaalsContact O-N 3.08Å; G324-V328 PolarHBondContact O-N 3.33Å
325	R	97	Very high	96.3	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-59.1	-43.7	-174.9	-171.3	-175.4	-177.1	96.3	-8.5	113.6	M320 H322 R323 N327 V328 L329 Y360 H361 L362 L381 V382 N384	M320-R325 HydrophobicContact CE-CB 3.76Å; M320-R325 HydrophobicContact CE-CG 4.12Å; M320-R325 HydrophobicContact CG-CB 4.5Å; M320-R325 HydrophobicContact CG-CG 4.01Å; M320-R325 PolarHBondContact O-NH1 2.83Å; M320-R325 HydrophobicContact SD-CB 4.06Å; M320-R325 HydrophobicContact SD-CG 3.72Å; H322-R325 PolarHBondContact O-N 2.9Å; H322-R325 VanDerWaalsContact O-N 3.12Å; R323-R325 PolarHBondContact O-N 3.26Å; R325-N327 PolarHBondContact O-N 3.17Å; R325-V328 PolarHBondContact O-N 3.26Å; R325-L329 HydrophobicContact CG-CD1 4.23Å; R325-L329 PolarHBondContact O-N 2.91Å; R325-Y360 WeakPolarHBondContact CD-O 3.41Å; R325-Y360 PolarHBondContact NE-O 3.29Å; R325-H361 PolarHBondContact NH2-O 2.94Å; R325-L362 PolarHBondContact NE-O 2.93Å; R325-L362 PolarHBondContact NH2-O 3.33Å; R325-L381 HydrophobicContact CG-CD2 4.37Å; R325-V382 PolarHBondContact NH2-O 3.24Å; R325-N384 PolarHBondContact NH1-OD1 3.25Å; R325-N384 PolarHBondContact NH2-OD1 3.33Å
326	L	96.1	Very high	96	Very high	7 Å²	7	15.4 Å²	15.4	4%	0.037	7%	0.068	C	C	.	.	H	α-helix	trans	-61.6	-34.8	178.5	-60.2	-176.9	0	0	0	111.5	F275 L279 R288 G324 L329 A330 I340 F344 K359	F275-L326 HydrophobicContact CE1-CB 4.04Å; F275-L326 HydrophobicContact CZ-CB 4.38Å; L279-L326 HydrophobicContact CD1-CD1 4.21Å; R288-L326 HydrophobicContact CB-CD1 4.19Å; G324-L326 PolarHBondContact O-N 2.97Å; L326-L329 HydrophobicContact CD2-CD1 4.33Å; L326-L329 PolarHBondContact O-N 3.35Å; L326-A330 WeakPolarHBondContact O-CB 3.43Å; L326-A330 PolarHBondContact O-N 2.88Å; L326-I340 HydrophobicContact CD2-CG2 4.41Å; L326-F344 HydrophobicContact CD1-CE2 4.01Å; L326-F344 HydrophobicContact CD1-CZ 3.53Å; L326-K359 HydrophobicContact CD1-CD 4.37Å; L326-K359 HydrophobicContact CD2-CB 4.5Å; L326-K359 HydrophobicContact CD2-CG 4.37Å
327	N	97.1	Very high	95.8	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-70.3	-42.3	176.8	-152.4	-37.8	0	0	0	111.5	S272 F275 E276 L291 I298 G324 R325 A330 N331	S272-N327 PolarHBondContact O-ND2 3.11Å; F275-N327 HydrophobicContact CD1-CB 3.94Å; F275-N327 HydrophobicContact CE1-CB 4.21Å; E276-N327 WeakPolarHBondContact OE1-CB 3.49Å; E276-N327 PolarHBondContact OE1-ND2 2.83Å; L291-N327 HydrophobicContact CD2-CB 4.32Å; I298-N327 HydrophobicContact CD1-CB 4.02Å; I298-N327 WeakPolarHBondContact CD1-OD1 3.32Å; I298-N327 WeakPolarHBondContact CG1-OD1 3.23Å; G324-N327 VanDerWaalsContact O-CB 3.3Å; G324-N327 WeakPolarHBondContact O-CB 3.15Å; G324-N327 PolarHBondContact O-N 3Å; G324-N327 VanDerWaalsContact O-N 3.08Å; R325-N327 PolarHBondContact O-N 3.17Å; N327-A330 PolarHBondContact O-N 2.92Å; N327-N331 WeakPolarHBondContact O-CB 3.39Å; N327-N331 PolarHBondContact O-N 2.93Å; N327-N331 PolarHBondContact OD1-ND2 2.82Å
328	V	97.3	Very high	95.5	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.006	8%	0.079	C	C	.	.	H	α-helix	trans	-60.9	-45.2	172.9	174.6	0	0	0	0	110.8	L297 I298 L301 M320 G324 R325 A330 V332 I333	L297-V328 HydrophobicContact CD2-CG2 4.42Å; I298-V328 HydrophobicContact CD1-CG2 3.97Å; L301-V328 HydrophobicContact CD1-CG1 4.16Å; L301-V328 HydrophobicContact CD1-CG2 3.71Å; M320-V328 HydrophobicContact CE-CB 4.06Å; M320-V328 HydrophobicContact CE-CG2 3.68Å; M320-V328 HydrophobicContact SD-CB 3.68Å; M320-V328 HydrophobicContact SD-CG1 3.7Å; M320-V328 HydrophobicContact SD-CG2 3.89Å; G324-V328 PolarHBondContact O-N 3.33Å; R325-V328 PolarHBondContact O-N 3.26Å; V328-A330 PolarHBondContact O-N 2.84Å; V328-V332 HydrophobicContact CG1-CB 3.99Å; V328-V332 HydrophobicContact CG1-CG2 4.27Å; V328-V332 CarbonylContact O-C 3.57Å; V328-V332 WeakPolarHBondContact O-CA 3.47Å; V328-V332 VanDerWaalsContact O-CB 3.26Å; V328-V332 WeakPolarHBondContact O-CB 3.4Å; V328-V332 PolarHBondContact O-N 3Å; V328-I333 HydrophobicContact CG1-CG1 4.35Å; V328-I333 PolarHBondContact O-N 2.86Å
329	L	95.5	Very high	95	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.085	C	C	.	.	I	π-helix	trans	-56.9	-49.9	174.3	-78.4	164.5	0	0	0	111.7	R325 L326 I333 R334 K335 I340 M364 L381 W595	R325-L329 HydrophobicContact CG-CD1 4.23Å; R325-L329 PolarHBondContact O-N 2.91Å; L326-L329 HydrophobicContact CD2-CD1 4.33Å; L326-L329 PolarHBondContact O-N 3.35Å; L329-I333 HydrophobicContact CD2-CG1 4.44Å; L329-R334 WeakPolarHBondContact O-CA 3.27Å; L329-R334 PolarHBondContact O-N 2.96Å; L329-K335 HydrophobicContact CB-CB 4.34Å; L329-K335 PolarHBondContact O-N 2.9Å; L329-I340 HydrophobicContact CB-CD1 4.16Å; L329-M364 HydrophobicContact CD2-CB 4.1Å; L329-L381 HydrophobicContact CD2-CD2 3.81Å; L329-L381 HydrophobicContact CG-CD2 4.05Å; L329-W595 HydrophobicContact CD1-CZ3 4.13Å; L329-W595 HydrophobicContact CD2-CZ3 4.38Å
330	A	95.5	Very high	94.7	Very high	2 Å²	2	19 Å²	19	2%	0.017	9%	0.086	C	C	.	.	I	π-helix	trans	-68.4	-46.1	-177.8	0	0	0	0	0	113.6	F275 L326 N327 V328 L337 I340	F275-A330 HydrophobicContact CD2-CB 4.17Å; F275-A330 HydrophobicContact CE1-CB 4.31Å; F275-A330 HydrophobicContact CE2-CB 3.71Å; F275-A330 HydrophobicContact CZ-CB 3.78Å; L326-A330 WeakPolarHBondContact O-CB 3.43Å; L326-A330 PolarHBondContact O-N 2.88Å; N327-A330 PolarHBondContact O-N 2.92Å; V328-A330 PolarHBondContact O-N 2.84Å; A330-L337 HydrophobicContact CB-CD2 3.63Å; A330-I340 HydrophobicContact CB-CD1 3.86Å
331	N	96.1	Very high	94.4	Very high	5 Å²	5	18.8 Å²	18.8	3%	0.027	9%	0.085	C	C	.	.	I	π-helix	trans	-109.4	-18	-163.9	-69.9	-48.6	0	0	0	114.3	R271 I298 N327 Y573	R271-N331 PolarHBondContact O-ND2 3.32Å; I298-N331 HydrophobicContact CG2-CB 3.81Å; N327-N331 WeakPolarHBondContact O-CB 3.39Å; N327-N331 PolarHBondContact O-N 2.93Å; N327-N331 PolarHBondContact OD1-ND2 2.82Å; N331-Y573 PolarHBondContact ND2-OH 2.85Å; N331-Y573 PolarHBondContact OD1-OH 2.77Å
332	V	95.4	Very high	94	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	8%	0.083	C	C	.	.	I	π-helix	trans	-106	-57.9	174.8	-175.8	0	0	0	0	110.9	I298 L301 K302 I305 V328 R368	I298-V332 HydrophobicContact CD1-CG2 3.93Å; I298-V332 HydrophobicContact CG2-CG2 4.22Å; L301-V332 HydrophobicContact CB-CG1 4.31Å; L301-V332 HydrophobicContact CB-CG2 4.17Å; L301-V332 HydrophobicContact CD1-CG2 4.04Å; K302-V332 HydrophobicContact CG-CG2 4.34Å; I305-V332 HydrophobicContact CD1-CG1 3.55Å; V328-V332 HydrophobicContact CG1-CB 3.99Å; V328-V332 HydrophobicContact CG1-CG2 4.27Å; V328-V332 CarbonylContact O-C 3.57Å; V328-V332 WeakPolarHBondContact O-CA 3.47Å; V328-V332 VanDerWaalsContact O-CB 3.26Å; V328-V332 WeakPolarHBondContact O-CB 3.4Å; V328-V332 PolarHBondContact O-N 3Å; V332-R368 VanDerWaalsContact O-CZ 3.25Å; V332-R368 PolarHBondContact O-NH1 3.17Å; V332-R368 PolarHBondContact O-NH2 3.39Å
333	I	93.5	Very high	93.6	Very high	0 Å²	0	18 Å²	18	0%	0	8%	0.08	C	C	.	.	I	π-helix	trans	-73.2	-31.1	-180	-47	-63.8	0	0	0	111.6	M318 V328 L329 M364 H366 R368 L379 L381	M318-I333 HydrophobicContact CE-CD1 3.11Å; M318-I333 HydrophobicContact SD-CD1 4.1Å; V328-I333 HydrophobicContact CG1-CG1 4.35Å; V328-I333 PolarHBondContact O-N 2.86Å; L329-I333 HydrophobicContact CD2-CG1 4.44Å; I333-M364 HydrophobicContact CB-SD 4.44Å; I333-M364 HydrophobicContact CG2-CB 4.1Å; I333-M364 HydrophobicContact CG2-CG 3.79Å; I333-M364 HydrophobicContact CG2-SD 3.54Å; I333-M364 VanDerWaalsContact CG2-SD 3.54Å; I333-H366 HydrophobicContact CG2-CB 4.23Å; I333-H366 PolarHBondContact O-CD2 2.96Å; I333-R368 PolarHBondContact O-NH1 3.31Å; I333-L379 HydrophobicContact CD1-CB 4.13Å; I333-L379 HydrophobicContact CD1-CD1 4.44Å; I333-L381 HydrophobicContact CD1-CB 4.23Å; I333-L381 HydrophobicContact CG1-CB 4.47Å
334	R	92.2	Very high	93.2	Very high	112 Å²	112	17.8 Å²	17.8	42%	0.423	8%	0.08	S	C	.	.			trans	69.7	43.3	-177.7	-56.2	-75.6	-67.2	169.3	4.5	113.2	L329	L329-R334 WeakPolarHBondContact O-CA 3.27Å; L329-R334 PolarHBondContact O-N 2.96Å
335	K	91.9	Very high	92.5	Very high	7 Å²	7	21.2 Å²	21.2	3%	0.03	10%	0.098	C	C	.	.			trans	-57.2	142.1	161.8	-175.3	63	170	176.8	0	109.4	L329 L337 I340 M364 H594 W595	L329-K335 HydrophobicContact CB-CB 4.34Å; L329-K335 PolarHBondContact O-N 2.9Å; K335-L337 PolarHBondContact O-N 2.74Å; K335-I340 HydrophobicContact CB-CD1 3.95Å; K335-I340 HydrophobicContact CB-CG1 4.28Å; K335-I340 HydrophobicContact CG-CD1 4.04Å; K335-I340 HydrophobicContact CG-CG1 3.79Å; K335-M364 HydrophobicContact CB-CE 4.19Å; K335-M364 HydrophobicContact CB-SD 3.51Å; K335-M364 VanDerWaalsContact CB-SD 3.51Å; K335-M364 HydrophobicContact CD-CE 3.63Å; K335-M364 HydrophobicContact CD-SD 3.46Å; K335-M364 WeakPolarHBondContact CD-SD 3.29Å; K335-M364 HydrophobicContact CG-SD 3.98Å; K335-H594 PolarHBondContact NZ-O 3.38Å; K335-W595 HydrophobicContact CD-CE3 4.44Å; K335-W595 HydrophobicContact CD-CH2 4.16Å; K335-W595 HydrophobicContact CD-CZ3 4.11Å; K335-W595 VanDerWaalsContact CE-CE2 3.48Å; K335-W595 VanDerWaalsContact CE-CH2 3.4Å; K335-W595 HydrophobicContact CG-CH2 3.89Å; K335-W595 HydrophobicContact CG-CZ3 3.99Å
336	E	91.4	Very high	91.5	Very high	108 Å²	108	27 Å²	27	51%	0.505	14%	0.138	S	C	.	.			trans	-58.8	129.8	174.7	-65.8	177.5	164.6	0	0	109.9	E338 Q339 I340	E336-E338 VanDerWaalsContact C-N 3.31Å; E336-E338 HydrophobicContact CB-CG 4.19Å; E336-E338 PolarHBondContact O-N 2.93Å; E336-Q339 HydrophobicContact CB-CB 4.38Å; E336-Q339 HydrophobicContact CB-CG 4.11Å; E336-Q339 PolarHBondContact O-N 3.21Å; E336-Q339 VanDerWaalsContact OE2-CD 3.31Å; E336-Q339 PolarHBondContact OE2-NE2 3.3Å; E336-I340 PolarHBondContact O-N 3.1Å
337	L	93.4	Very high	90.6	Very high	18 Å²	18	34.5 Å²	34.5	9%	0.094	17%	0.171	C	C	.	.	H	α-helix	trans	-67	-37.9	-172.2	-72.8	-179.4	0	0	0	111	F275 A330 K335 Q339 I340 F341 I576 A580	F275-L337 HydrophobicContact CD2-CD2 4.35Å; F275-L337 HydrophobicContact CE2-CD2 3.8Å; A330-L337 HydrophobicContact CB-CD2 3.63Å; K335-L337 PolarHBondContact O-N 2.74Å; L337-Q339 VanDerWaalsContact C-N 3.27Å; L337-Q339 PolarHBondContact O-N 2.79Å; L337-I340 HydrophobicContact CD2-CD1 4.47Å; L337-I340 WeakPolarHBondContact O-CB 3.23Å; L337-I340 PolarHBondContact O-N 2.9Å; L337-I340 VanDerWaalsContact O-N 3.08Å; L337-F341 HydrophobicContact CB-CD2 4.35Å; L337-F341 HydrophobicContact CB-CE2 3.94Å; L337-F341 HydrophobicContact CB-CZ 4.19Å; L337-F341 HydrophobicContact CD2-CZ 4.36Å; L337-F341 WeakPolarHBondContact O-CB 3.5Å; L337-F341 WeakPolarHBondContact O-CD2 3.11Å; L337-F341 WeakPolarHBondContact O-CG 3.43Å; L337-F341 PolarHBondContact O-N 2.95Å; L337-I576 HydrophobicContact CD1-CG2 3.75Å; L337-A580 HydrophobicContact CB-CB 3.47Å; L337-A580 VanDerWaalsContact CB-CB 3.47Å; L337-A580 HydrophobicContact CD1-CB 4.09Å; L337-A580 HydrophobicContact CG-CB 4.43Å
338	E	91.6	Very high	89.7	Confident	32 Å²	32	36.4 Å²	36.4	15%	0.15	18%	0.181	C	C	.	.	H	α-helix	trans	-56.4	-41	175.1	47.1	-92.1	-102.3	0	0	112.2	E336 I340 F341 C342 R583 S584	E336-E338 VanDerWaalsContact C-N 3.31Å; E336-E338 HydrophobicContact CB-CG 4.19Å; E336-E338 PolarHBondContact O-N 2.93Å; E338-I340 VanDerWaalsContact C-N 3.35Å; E338-F341 PolarHBondContact O-N 2.94Å; E338-C342 PolarHBondContact O-N 2.98Å; E338-R583 HydrophobicContact CB-CB 4.31Å; E338-R583 IonicContact OE1-CZ 3.47Å; E338-R583 IonicContact OE1-NE 3.64Å; E338-R583 PolarHBondContact OE1-NE 3.49Å; E338-R583 IonicContact OE1-NH2 3.04Å; E338-R583 PolarHBondContact OE1-NH2 3.23Å; E338-R583 IonicContact OE2-NH2 3.85Å; E338-R583 PolarHBondContact OE2-NH2 3.47Å; E338-S584 WeakPolarHBondContact O-CB 3.16Å
339	Q	88.9	Confident	88.6	Confident	28 Å²	28	43 Å²	43	13%	0.131	21%	0.212	C	C	.	.	H	α-helix	trans	-71.7	-28.3	176.9	-65.2	-174.2	-23.1	0	0	112.6	E336 L337 C342 Q343 H594 W595	E336-Q339 HydrophobicContact CB-CB 4.38Å; E336-Q339 HydrophobicContact CB-CG 4.11Å; E336-Q339 PolarHBondContact O-N 3.21Å; E336-Q339 VanDerWaalsContact OE2-CD 3.31Å; E336-Q339 PolarHBondContact OE2-NE2 3.3Å; L337-Q339 VanDerWaalsContact C-N 3.27Å; L337-Q339 PolarHBondContact O-N 2.79Å; Q339-C342 PolarHBondContact O-SG 3.29Å; Q339-Q343 WeakPolarHBondContact O-CG 3.46Å; Q339-H594 PolarHBondContact NE2-ND1 3.29Å; Q339-W595 HydrophobicContact CB-CZ2 4.42Å; Q339-W595 WeakPolarHBondContact O-CZ2 3.46Å
340	I	90.9	Very high	87.3	Confident	2 Å²	2	46.5 Å²	46.5	1%	0.01	24%	0.24	C	C	.	.	H	α-helix	trans	-72.8	-45.9	170.8	-66.5	167.5	0	0	0	110	L326 L329 A330 K335 E336 L337 E338 Q343 F344 W595	L326-I340 HydrophobicContact CD2-CG2 4.41Å; L329-I340 HydrophobicContact CB-CD1 4.16Å; A330-I340 HydrophobicContact CB-CD1 3.86Å; K335-I340 HydrophobicContact CB-CD1 3.95Å; K335-I340 HydrophobicContact CB-CG1 4.28Å; K335-I340 HydrophobicContact CG-CD1 4.04Å; K335-I340 HydrophobicContact CG-CG1 3.79Å; E336-I340 PolarHBondContact O-N 3.1Å; L337-I340 HydrophobicContact CD2-CD1 4.47Å; L337-I340 WeakPolarHBondContact O-CB 3.23Å; L337-I340 PolarHBondContact O-N 2.9Å; L337-I340 VanDerWaalsContact O-N 3.08Å; E338-I340 VanDerWaalsContact C-N 3.35Å; I340-Q343 VanDerWaalsContact O-CB 3.31Å; I340-Q343 WeakPolarHBondContact O-CB 3.24Å; I340-Q343 PolarHBondContact O-N 3.5Å; I340-F344 HydrophobicContact CG2-CE2 4.36Å; I340-F344 WeakPolarHBondContact O-CD2 3.28Å; I340-W595 HydrophobicContact CG1-CH2 4.08Å
341	F	92.8	Very high	85.9	Confident	1 Å²	1	48.9 Å²	48.9	0%	0.004	26%	0.26	C	S	.	.	H	α-helix	trans	-68.7	-35.4	-173.9	-67.1	-18.4	0	0	0	113	F275 F278 L279 W283 L337 E338 Q343 F344 A580 F581	F275-F341 AromaticContact CE2-CE1 3.81Å; F275-F341 HydrophobicContact CE2-CE1 3.81Å; F275-F341 HydrophobicContact CE2-CZ 4.18Å; F275-F341 HydrophobicContact CZ-CE1 4.37Å; F278-F341 HydrophobicContact CD1-CE1 4.28Å; F278-F341 HydrophobicContact CD1-CE2 4.49Å; F278-F341 AromaticContact CD1-CZ 3.89Å; F278-F341 HydrophobicContact CD1-CZ 3.89Å; F278-F341 HydrophobicContact CE1-CE1 4.25Å; F278-F341 AromaticContact CE1-CE2 3.85Å; F278-F341 HydrophobicContact CE1-CE2 3.85Å; F278-F341 AromaticContact CE1-CZ 3.7Å; F278-F341 HydrophobicContact CE1-CZ 3.7Å; L279-F341 HydrophobicContact CD2-CD1 4.09Å; L279-F341 HydrophobicContact CD2-CE1 3.75Å; W283-F341 HydrophobicContact CH2-CB 3.71Å; W283-F341 AromaticContact CH2-CD1 3.76Å; W283-F341 HydrophobicContact CH2-CD1 3.76Å; W283-F341 AromaticContact CH2-CG 3.75Å; W283-F341 HydrophobicContact CH2-CG 3.75Å; W283-F341 HydrophobicContact CZ2-CB 4.34Å; W283-F341 AromaticContact CZ3-CD1 3.86Å; W283-F341 HydrophobicContact CZ3-CD1 3.86Å; W283-F341 HydrophobicContact CZ3-CE1 4.31Å; W283-F341 HydrophobicContact CZ3-CG 4.31Å; L337-F341 HydrophobicContact CB-CD2 4.35Å; L337-F341 HydrophobicContact CB-CE2 3.94Å; L337-F341 HydrophobicContact CB-CZ 4.19Å; L337-F341 HydrophobicContact CD2-CZ 4.36Å; L337-F341 WeakPolarHBondContact O-CB 3.5Å; L337-F341 WeakPolarHBondContact O-CD2 3.11Å; L337-F341 WeakPolarHBondContact O-CG 3.43Å; L337-F341 PolarHBondContact O-N 2.95Å; E338-F341 PolarHBondContact O-N 2.94Å; F341-Q343 PolarHBondContact O-N 2.87Å; F341-F344 WeakPolarHBondContact O-CB 3.33Å; F341-F344 PolarHBondContact O-N 2.77Å; F341-A580 HydrophobicContact CD2-CB 4.17Å; F341-A580 HydrophobicContact CE2-CB 3.87Å; F341-F581 HydrophobicContact CD2-CB 4.04Å; F341-F581 HydrophobicContact CE2-CB 4.24Å
342	C	88.4	Confident	84.6	Confident	7 Å²	7	50.2 Å²	50.2	5%	0.047	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-61.9	-26.2	176.4	71.9	0	0	0	0	112.5	E338 Q339 F344 D345 L348 E587	E338-C342 PolarHBondContact O-N 2.98Å; Q339-C342 PolarHBondContact O-SG 3.29Å; C342-F344 PolarHBondContact O-N 3.3Å; C342-D345 WeakPolarHBondContact O-CB 3.39Å; C342-D345 PolarHBondContact O-N 3.28Å; C342-L348 HydrophobicContact CB-CD1 4.23Å; C342-E587 HydrophobicContact CB-CB 4.04Å
343	Q	86.9	Confident	83.1	Confident	29 Å²	29	56.7 Å²	56.7	14%	0.136	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-64.5	-10.4	174.9	-57.9	-60.9	-66.8	0	0	114.2	Q339 I340 F341 L348 K359 L590 W595	Q339-Q343 WeakPolarHBondContact O-CG 3.46Å; I340-Q343 VanDerWaalsContact O-CB 3.31Å; I340-Q343 WeakPolarHBondContact O-CB 3.24Å; I340-Q343 PolarHBondContact O-N 3.5Å; F341-Q343 PolarHBondContact O-N 2.87Å; Q343-L348 VanDerWaalsContact NE2-CD2 3.33Å; Q343-K359 HydrophobicContact CB-CB 3.91Å; Q343-K359 HydrophobicContact CG-CB 4.35Å; Q343-K359 VanDerWaalsContact O-CE 3.27Å; Q343-K359 WeakPolarHBondContact O-CE 3.34Å; Q343-L590 VanDerWaalsContact NE2-CD2 3.33Å; Q343-W595 HydrophobicContact CG-CZ2 4.27Å
344	F	87.9	Confident	81.9	Confident	14 Å²	14	58.9 Å²	58.9	6%	0.061	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-96	-5.1	174.2	-67.3	-98.1	0	0	0	112.7	L279 W283 E286 L326 I340 F341 C342 K359	L279-F344 HydrophobicContact CD1-CZ 4.37Å; L279-F344 HydrophobicContact CD2-CE2 4.24Å; L279-F344 HydrophobicContact CD2-CZ 4.21Å; W283-F344 HydrophobicContact CB-CD1 4.02Å; W283-F344 HydrophobicContact CD2-CB 3.74Å; W283-F344 AromaticContact CD2-CD1 3.91Å; W283-F344 HydrophobicContact CD2-CD1 3.91Å; W283-F344 HydrophobicContact CD2-CD2 4.47Å; W283-F344 AromaticContact CD2-CG 3.81Å; W283-F344 HydrophobicContact CD2-CG 3.81Å; W283-F344 AromaticContact CE2-CG 3.93Å; W283-F344 HydrophobicContact CE3-CB 4.46Å; W283-F344 HydrophobicContact CE3-CD1 4.23Å; W283-F344 HydrophobicContact CE3-CD2 4.39Å; W283-F344 HydrophobicContact CE3-CG 4.14Å; W283-F344 HydrophobicContact CG-CB 3.93Å; W283-F344 AromaticContact CG-CD1 3.82Å; W283-F344 HydrophobicContact CG-CD1 3.82Å; W283-F344 HydrophobicContact CG-CG 4.1Å; W283-F344 HydrophobicContact CZ2-CB 3.82Å; W283-F344 HydrophobicContact CZ2-CG 4.34Å; W283-F344 HydrophobicContact CZ3-CD2 4.44Å; W283-F344 VanDerWaalsContact NE1-CB 3.32Å; E286-F344 HydrophobicContact CB-CD1 3.91Å; E286-F344 HydrophobicContact CB-CE1 4.08Å; E286-F344 HydrophobicContact CG-CD1 4.01Å; L326-F344 HydrophobicContact CD1-CE2 4.01Å; L326-F344 HydrophobicContact CD1-CZ 3.53Å; I340-F344 HydrophobicContact CG2-CE2 4.36Å; I340-F344 WeakPolarHBondContact O-CD2 3.28Å; F341-F344 WeakPolarHBondContact O-CB 3.33Å; F341-F344 PolarHBondContact O-N 2.77Å; C342-F344 PolarHBondContact O-N 3.3Å; F344-K359 HydrophobicContact CD1-CD 4.33Å; F344-K359 VanDerWaalsContact CD1-NZ 3.32Å; F344-K359 HydrophobicContact CD2-CD 4.41Å; F344-K359 HydrophobicContact CE1-CD 3.93Å; F344-K359 HydrophobicContact CE2-CD 4.02Å; F344-K359 HydrophobicContact CZ-CD 3.77Å
345	D	82.8	Confident	81.1	Confident	73 Å²	73	58.1 Å²	58.1	39%	0.39	33%	0.332	S	S	.	.			trans	-84.4	119.8	174.2	-164.1	-22	0	0	0	110.7	C342 K347 L348	C342-D345 WeakPolarHBondContact O-CB 3.39Å; C342-D345 PolarHBondContact O-N 3.28Å; D345-K347 PolarHBondContact O-N 3.43Å; D345-K347 VanDerWaalsContact O-N 3.12Å; D345-K347 WeakPolarHBondContact OD1-CB 3.49Å; D345-K347 PolarHBondContact OD1-N 2.79Å; D345-L348 WeakPolarHBondContact O-CB 3.47Å; D345-L348 PolarHBondContact O-N 2.79Å
346	S	76.7	Confident	80.6	Confident	120 Å²	120	58.6 Å²	58.6	84%	0.839	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-15.1	173.8	57.3	0	0	0	0	114.9
347	K	76.9	Confident	80.3	Confident	166 Å²	166	55.4 Å²	55.4	72%	0.722	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	2.8	-178.5	-58	179.9	-172.6	176.7	0	113.6	D345 E349	D345-K347 PolarHBondContact O-N 3.43Å; D345-K347 VanDerWaalsContact O-N 3.12Å; D345-K347 WeakPolarHBondContact OD1-CB 3.49Å; D345-K347 PolarHBondContact OD1-N 2.79Å; K347-E349 PolarHBondContact O-N 3.17Å
348	L	77.3	Confident	79.9	Confident	39 Å²	39	59.5 Å²	59.5	20%	0.204	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-65.4	121.5	-179.5	-170.9	69.3	0	0	0	110.1	C342 Q343 D345 L590	C342-L348 HydrophobicContact CB-CD1 4.23Å; Q343-L348 VanDerWaalsContact NE2-CD2 3.33Å; D345-L348 WeakPolarHBondContact O-CB 3.47Å; D345-L348 PolarHBondContact O-N 2.79Å; L348-L590 HydrophobicContact CD1-CB 4.31Å; L348-L590 HydrophobicContact CD2-CB 3.84Å; L348-L590 HydrophobicContact CD2-CD2 4.07Å; L348-L590 HydrophobicContact CD2-CG 4.37Å; L348-L590 HydrophobicContact CG-CB 4.01Å
349	E	74.6	Confident	79.7	Confident	141 Å²	141	59.1 Å²	59.1	66%	0.659	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.3	142.3	175.7	-66.6	179.1	179.9	0	0	109.9	K347 K588 I589 L590	K347-E349 PolarHBondContact O-N 3.17Å; E349-K588 PolarHBondContact N-O 2.9Å; E349-K588 VanDerWaalsContact N-O 3.14Å; E349-I589 WeakPolarHBondContact O-CA 3.35Å; E349-L590 PolarHBondContact O-N 3.36Å
350	A	68.8	Low	79.5	Confident	72 Å²	72	59.2 Å²	59.2	60%	0.595	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.9	128.7	174.1	0	0	0	0	0	109.8
351	A	66	Low	79.6	Confident	52 Å²	52	59.6 Å²	59.6	43%	0.43	34%	0.344	S	S	.	.			trans	-92.6	-24.3	171.1	0	0	0	0	0	113.8	I589 L590	A351-I589 HydrophobicContact CB-CG2 3.14Å; A351-L590 PolarHBondContact N-O 3.26Å
352	D	67.6	Low	79.3	Confident	34 Å²	34	59.8 Å²	59.8	18%	0.182	35%	0.345	C	S	.	.	S	Bend	trans	-96.1	151.4	-175.7	-61.1	-11.1	0	0	0	110.5	H591 I592 K593	D352-H591 IonicContact OD1-CE1 3.58Å; D352-H591 IonicContact OD1-CG 2.71Å; D352-H591 IonicContact OD1-ND1 3.75Å; D352-H591 PolarHBondContact OD1-ND1 3.29Å; D352-H591 VanDerWaalsContact OD2-CA 3.26Å; D352-H591 WeakPolarHBondContact OD2-CA 3.26Å; D352-I592 HydrophobicContact CB-CB 4.28Å; D352-I592 HydrophobicContact CB-CD1 4.45Å; D352-I592 HydrophobicContact CB-CG1 4.4Å; D352-I592 WeakPolarHBondContact OD2-CA 3.42Å; D352-I592 PolarHBondContact OD2-N 3Å; D352-K593 PolarHBondContact OD2-N 2.85Å
353	E	64.4	Low	79.4	Confident	135 Å²	135	59.5 Å²	59.5	63%	0.631	34%	0.343	S	S	*	.	S	Bend	trans	-62.5	147.9	175.2	-69.6	-179.8	172.5	0	0	112.5
354	G	67.9	Low	79.5	Confident	47 Å²	47	58.9 Å²	58.9	49%	0.485	34%	0.341	S	S	.	.	S	Bend	trans	117.5	174.5	176.4	0	0	0	0	0	113.5	G356 A778	G354-G356 VanDerWaalsContact C-N 3.31Å; G354-A778 CarbonylContact C-O 3.6Å; G354-A778 VanDerWaalsContact CA-O 3.23Å; G354-A778 WeakPolarHBondContact CA-O 3.25Å
355	S	75.2	Confident	79.7	Confident	96 Å²	96	61.7 Å²	61.7	67%	0.671	35%	0.352	S	S	*	.			trans	-78.8	-17.6	178.1	61.7	0	0	0	0	113	A778	S355-A778 PolarHBondContact N-O 3.39Å; S355-A778 PolarHBondContact OG-O 3.28Å
356	G	82.4	Confident	80	Confident	17 Å²	17	61.1 Å²	61.1	18%	0.175	35%	0.346	C	S	.	.			trans	64.7	-170.6	-163.5	0	0	0	0	0	112.6	G354 A778 K779	G354-G356 VanDerWaalsContact C-N 3.31Å; G356-A778 PolarHBondContact N-O 2.85Å; G356-K779 CarbonylContact C-O 3.55Å; G356-K779 WeakPolarHBondContact CA-O 3.25Å
357	D	85.6	Confident	80.7	Confident	41 Å²	41	62.5 Å²	62.5	22%	0.219	33%	0.333	C	S	.	.			trans	-150	168.7	174.3	-156	-12.3	0	0	0	110.2	H361 L362 K779 W780	D357-H361 HydrophobicContact CB-CB 4.3Å; D357-H361 VanDerWaalsContact CG-ND1 3.25Å; D357-H361 IonicContact OD1-CE1 3.32Å; D357-H361 IonicContact OD1-CG 2.63Å; D357-H361 IonicContact OD1-ND1 3.58Å; D357-H361 PolarHBondContact OD1-ND1 3.39Å; D357-H361 WeakPolarHBondContact OD2-CB 3.22Å; D357-H361 IonicContact OD2-CG 2.71Å; D357-H361 IonicContact OD2-ND1 2.82Å; D357-H361 PolarHBondContact OD2-ND1 3.41Å; D357-L362 HydrophobicContact CB-CD2 4.31Å; D357-K779 HydrophobicContact CB-CB 4.41Å; D357-K779 VanDerWaalsContact OD2-CE 3.25Å; D357-K779 WeakPolarHBondContact OD2-CE 3.43Å; D357-K779 IonicContact OD2-NZ 2.95Å; D357-W780 PolarHBondContact OD2-NE1 2.69Å
358	M	84.8	Confident	81.4	Confident	103 Å²	103	57 Å²	57	51%	0.507	31%	0.308	S	S	.	.			trans	-63.7	145.2	179.1	-61.4	172.5	-175.9	0	0	111.2	Y360 H361	M358-Y360 HydrophobicContact CB-CD2 4.19Å; M358-Y360 HydrophobicContact CB-CE1 4.38Å; M358-Y360 HydrophobicContact CB-CE2 3.65Å; M358-Y360 HydrophobicContact CG-CE2 4.35Å; M358-Y360 PolarHBondContact O-N 2.78Å; M358-Y360 HydrophobicContact SD-CE2 3.84Å; M358-Y360 PolarHBondContact SD-OH 2.96Å; M358-H361 WeakPolarHBondContact O-CB 3.14Å; M358-H361 PolarHBondContact O-N 3.34Å
359	K	86.2	Confident	82.1	Confident	24 Å²	24	59.4 Å²	59.4	10%	0.104	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49	-29.7	-175.8	66.6	-167.2	74.5	156.8	0	115.4	E286 L326 Q343 F344	E286-K359 IonicContact OE2-NZ 3.68Å; E286-K359 PolarHBondContact OE2-NZ 2.8Å; L326-K359 HydrophobicContact CD1-CD 4.37Å; L326-K359 HydrophobicContact CD2-CB 4.5Å; L326-K359 HydrophobicContact CD2-CG 4.37Å; Q343-K359 HydrophobicContact CB-CB 3.91Å; Q343-K359 HydrophobicContact CG-CB 4.35Å; Q343-K359 VanDerWaalsContact O-CE 3.27Å; Q343-K359 WeakPolarHBondContact O-CE 3.34Å; F344-K359 HydrophobicContact CD1-CD 4.33Å; F344-K359 VanDerWaalsContact CD1-NZ 3.32Å; F344-K359 HydrophobicContact CD2-CD 4.41Å; F344-K359 HydrophobicContact CE1-CD 3.93Å; F344-K359 HydrophobicContact CE2-CD 4.02Å; F344-K359 HydrophobicContact CZ-CD 3.77Å
360	Y	85.4	Confident	82.9	Confident	30 Å²	30	53.2 Å²	53.2	12%	0.118	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94	17	178.6	46.3	-108.2	0	0	0	114.3	F289 R325 M358	F289-Y360 AromaticContact CD2-CD1 3.91Å; F289-Y360 HydrophobicContact CD2-CD1 3.91Å; F289-Y360 AromaticContact CD2-CE1 3.9Å; F289-Y360 HydrophobicContact CD2-CE1 3.9Å; F289-Y360 HydrophobicContact CD2-CG 4.22Å; F289-Y360 HydrophobicContact CE2-CD1 4.2Å; F289-Y360 HydrophobicContact CE2-CD2 4.48Å; F289-Y360 AromaticContact CE2-CE1 3.73Å; F289-Y360 HydrophobicContact CE2-CE1 3.73Å; F289-Y360 HydrophobicContact CE2-CE2 4.07Å; F289-Y360 AromaticContact CE2-CZ 3.66Å; R325-Y360 WeakPolarHBondContact CD-O 3.41Å; R325-Y360 PolarHBondContact NE-O 3.29Å; M358-Y360 HydrophobicContact CB-CD2 4.19Å; M358-Y360 HydrophobicContact CB-CE1 4.38Å; M358-Y360 HydrophobicContact CB-CE2 3.65Å; M358-Y360 HydrophobicContact CG-CE2 4.35Å; M358-Y360 PolarHBondContact O-N 2.78Å; M358-Y360 HydrophobicContact SD-CE2 3.84Å; M358-Y360 PolarHBondContact SD-OH 2.96Å
361	H	92.3	Very high	83.8	Confident	10 Å²	10	61.1 Å²	61.1	5%	0.046	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.4	-17.9	169.7	-67.4	159.3	0	0	0	113	R325 D357 M358 A383 N384 S386	R325-H361 PolarHBondContact NH2-O 2.94Å; D357-H361 HydrophobicContact CB-CB 4.3Å; D357-H361 VanDerWaalsContact CG-ND1 3.25Å; D357-H361 IonicContact OD1-CE1 3.32Å; D357-H361 IonicContact OD1-CG 2.63Å; D357-H361 IonicContact OD1-ND1 3.58Å; D357-H361 PolarHBondContact OD1-ND1 3.39Å; D357-H361 WeakPolarHBondContact OD2-CB 3.22Å; D357-H361 IonicContact OD2-CG 2.71Å; D357-H361 IonicContact OD2-ND1 2.82Å; D357-H361 PolarHBondContact OD2-ND1 3.41Å; M358-H361 WeakPolarHBondContact O-CB 3.14Å; M358-H361 PolarHBondContact O-N 3.34Å; H361-A383 VanDerWaalsContact O-CA 3.23Å; H361-A383 WeakPolarHBondContact O-CA 3.43Å; H361-N384 WeakPolarHBondContact CB-O 3.39Å; H361-N384 PolarHBondContact CD2-O 3.48Å; H361-N384 VanDerWaalsContact CD2-O 3.3Å; H361-N384 PolarHBondContact O-N 3.42Å; H361-S386 PolarHBondContact CE1-OG 2.75Å; H361-S386 PolarHBondContact NE2-N 2.79Å; H361-S386 PolarHBondContact NE2-OG 2.82Å
362	L	87.8	Confident	84.8	Confident	5 Å²	5	63 Å²	63	3%	0.026	31%	0.312	C	S	.	.			trans	-64.6	141	-173.6	-58.9	179.6	0	0	0	111.9	R325 D357 W595	R325-L362 PolarHBondContact NE-O 2.93Å; R325-L362 PolarHBondContact NH2-O 3.33Å; D357-L362 HydrophobicContact CB-CD2 4.31Å; L362-W595 HydrophobicContact CB-CB 4.26Å; L362-W595 HydrophobicContact CB-CD2 3.95Å; L362-W595 HydrophobicContact CB-CE3 3.58Å; L362-W595 HydrophobicContact CB-CG 4.27Å; L362-W595 HydrophobicContact CB-CZ3 4.17Å; L362-W595 HydrophobicContact CD1-CD2 3.7Å; L362-W595 HydrophobicContact CD1-CE3 4Å; L362-W595 HydrophobicContact CD1-CG 4.01Å; L362-W595 HydrophobicContact CD1-CH2 4.47Å; L362-W595 HydrophobicContact CD1-CZ2 4.22Å; L362-W595 HydrophobicContact CD1-CZ3 4.37Å; L362-W595 HydrophobicContact CG-CD2 4.43Å; L362-W595 HydrophobicContact CG-CE3 4.45Å
363	G	88.9	Confident	85.8	Confident	1 Å²	1	63 Å²	63	1%	0.01	31%	0.313	C	S	.	.			trans	-89.3	177.2	177.9	0	0	0	0	0	112.7	L381 W595	G363-L381 CarbonylContact C-O 3.43Å; G363-L381 WeakPolarHBondContact CA-O 3.06Å; G363-W595 CarbonylContact C-O 3.58Å; G363-W595 VanDerWaalsContact C-O 3.26Å; G363-W595 CarbonylContact O-C 3.54Å; G363-W595 WeakPolarHBondContact O-CA 3Å
364	M	90.6	Very high	87.2	Confident	16 Å²	16	62.9 Å²	62.9	8%	0.079	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158	146.1	171.4	-177.3	163.7	-166.6	0	0	111.7	L329 I333 K335 H366 S380 L381	L329-M364 HydrophobicContact CD2-CB 4.1Å; I333-M364 HydrophobicContact CB-SD 4.44Å; I333-M364 HydrophobicContact CG2-CB 4.1Å; I333-M364 HydrophobicContact CG2-CG 3.79Å; I333-M364 HydrophobicContact CG2-SD 3.54Å; I333-M364 VanDerWaalsContact CG2-SD 3.54Å; K335-M364 HydrophobicContact CB-CE 4.19Å; K335-M364 HydrophobicContact CB-SD 3.51Å; K335-M364 VanDerWaalsContact CB-SD 3.51Å; K335-M364 HydrophobicContact CD-CE 3.63Å; K335-M364 HydrophobicContact CD-SD 3.46Å; K335-M364 WeakPolarHBondContact CD-SD 3.29Å; K335-M364 HydrophobicContact CG-SD 3.98Å; M364-H366 HydrophobicContact CE-CB 3.97Å; M364-S380 CarbonylContact O-C 3.53Å; M364-S380 VanDerWaalsContact O-CA 3.28Å; M364-S380 WeakPolarHBondContact O-CA 3.38Å; M364-L381 PolarHBondContact N-O 3.04Å; M364-L381 PolarHBondContact O-N 3.34Å
365	Y	90.9	Very high	88.4	Confident	74 Å²	74	64.3 Å²	64.3	29%	0.29	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	131.2	163.9	-179.6	-86.8	0	0	0	109.7	T378 L596 P599	Y365-T378 HydrophobicContact CD2-CG2 4.16Å; Y365-T378 HydrophobicContact CE1-CG2 4.32Å; Y365-T378 HydrophobicContact CE2-CG2 3.35Å; Y365-T378 VanDerWaalsContact CZ-CG2 3.45Å; Y365-T378 WeakPolarHBondContact OH-CG2 3.43Å; Y365-L596 VanDerWaalsContact CB-O 3.3Å; Y365-L596 WeakPolarHBondContact CB-O 3.34Å; Y365-L596 PolarHBondContact N-O 3.48Å; Y365-P599 HydrophobicContact CD1-CG 3.94Å; Y365-P599 HydrophobicContact CE1-CG 4.3Å; Y365-P599 HydrophobicContact CG-CG 4.08Å
366	H	90.7	Very high	89.3	Confident	60 Å²	60	63.6 Å²	63.6	28%	0.278	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	125.2	177.1	-164.9	51.6	0	0	0	112.2	I333 M364 L379	I333-H366 HydrophobicContact CG2-CB 4.23Å; I333-H366 PolarHBondContact O-CD2 2.96Å; M364-H366 HydrophobicContact CE-CB 3.97Å; H366-L379 PolarHBondContact N-O 2.86Å; H366-L379 PolarHBondContact O-N 3.07Å
367	R	91.3	Very high	89.9	Confident	149 Å²	149	62.8 Å²	62.8	56%	0.562	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.7	128.4	172.3	-176.1	176.6	178	-177.9	1	109.5
368	R	90.9	Very high	90.3	Very high	51 Å²	51	61 Å²	61	19%	0.192	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	173.1	-178.3	67.9	171	-165.2	-128.9	3.1	112.6	V332 I333 N376 I377	V332-R368 VanDerWaalsContact O-CZ 3.25Å; V332-R368 PolarHBondContact O-NH1 3.17Å; V332-R368 PolarHBondContact O-NH2 3.39Å; I333-R368 PolarHBondContact O-NH1 3.31Å; R368-N376 CarbonylContact O-C 3.48Å; R368-N376 WeakPolarHBondContact O-CA 3.27Å; R368-I377 HydrophobicContact CG-CG2 4.22Å; R368-I377 PolarHBondContact N-O 3.33Å; R368-I377 PolarHBondContact O-N 2.79Å; R368-I377 VanDerWaalsContact O-O 3.12Å
369	I	91.5	Very high	90.9	Very high	90 Å²	90	56.1 Å²	56.1	46%	0.462	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	127.9	169.1	-60.4	171.4	0	0	0	109.5	R371 N376	I369-R371 PolarHBondContact O-N 2.89Å; I369-N376 WeakPolarHBondContact CG1-OD1 3.5Å
370	N	91.2	Very high	91.3	Very high	10 Å²	10	55 Å²	55	5%	0.053	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	112.1	162.8	-174.7	-19.9	0	0	0	108.6	D306 V372 T373 D374 R375 I377	D306-N370 PolarHBondContact OD1-ND2 3.34Å; D306-N370 PolarHBondContact OD1-OD1 3.02Å; N370-V372 PolarHBondContact O-N 3.23Å; N370-V372 PolarHBondContact OD1-N 2.87Å; N370-T373 WeakPolarHBondContact CB-OG1 3.35Å; N370-T373 PolarHBondContact O-N 2.95Å; N370-D374 VanDerWaalsContact O-CA 3.22Å; N370-D374 WeakPolarHBondContact O-CA 3.01Å; N370-D374 PolarHBondContact O-N 3.15Å; N370-R375 PolarHBondContact N-O 2.96Å; N370-I377 HydrophobicContact CB-CG2 4.05Å
371	R	87.8	Confident	91.9	Very high	238 Å²	238	53.6 Å²	53.6	90%	0.898	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69	-16.6	-176.6	-63.2	-174.9	-179.1	-178.7	-2.4	114.6	I369	I369-R371 PolarHBondContact O-N 2.89Å
372	V	86.9	Confident	92.1	Very high	93 Å²	93	53.2 Å²	53.2	56%	0.564	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-38.5	177.3	-179.9	0	0	0	0	110.5	D306 N370	D306-V372 HydrophobicContact CB-CB 4.47Å; D306-V372 HydrophobicContact CB-CG1 4.38Å; N370-V372 PolarHBondContact O-N 3.23Å; N370-V372 PolarHBondContact OD1-N 2.87Å
373	T	90.2	Very high	92.4	Very high	32 Å²	32	53 Å²	53	20%	0.196	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	-9	-176.1	58.8	0	0	0	0	113.8	S309 E310 N370 R375	S309-T373 PolarHBondContact OG-OG1 3.15Å; E310-T373 HydrophobicContact CB-CG2 4.07Å; N370-T373 WeakPolarHBondContact CB-OG1 3.35Å; N370-T373 PolarHBondContact O-N 2.95Å; T373-R375 PolarHBondContact O-N 2.95Å
374	D	92	Very high	92.8	Very high	133 Å²	133	53.5 Å²	53.5	71%	0.711	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.5	25.6	-170.5	-155	34.3	0	0	0	114.2	N370	N370-D374 VanDerWaalsContact O-CA 3.22Å; N370-D374 WeakPolarHBondContact O-CA 3.01Å; N370-D374 PolarHBondContact O-N 3.15Å
375	R	93.3	Very high	93.1	Very high	77 Å²	77	52.9 Å²	52.9	29%	0.291	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	148.9	178.4	-69	178.4	62.8	166.6	1.3	111.6	S309 G312 D314 N370 T373	S309-R375 WeakPolarHBondContact O-CD 3.37Å; S309-R375 VanDerWaalsContact O-CZ 3.25Å; S309-R375 PolarHBondContact O-NE 3.32Å; S309-R375 PolarHBondContact O-NH1 3.44Å; G312-R375 VanDerWaalsContact C-NH2 3.29Å; G312-R375 PolarHBondContact O-NH2 2.96Å; D314-R375 IonicContact OD1-CZ 3.41Å; D314-R375 IonicContact OD1-NE 3.27Å; D314-R375 IonicContact OD1-NH2 3.32Å; D314-R375 PolarHBondContact OD1-NH2 3.37Å; N370-R375 PolarHBondContact N-O 2.96Å; T373-R375 PolarHBondContact O-N 2.95Å
376	N	93.8	Very high	93.4	Very high	82 Å²	82	52.8 Å²	52.8	44%	0.439	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	132.4	167.8	-77.7	-44.3	0	0	0	110	R368 I369	R368-N376 CarbonylContact O-C 3.48Å; R368-N376 WeakPolarHBondContact O-CA 3.27Å; I369-N376 WeakPolarHBondContact CG1-OD1 3.5Å
377	I	95.3	Very high	93.8	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	137.1	174.5	-165.9	158.6	0	0	0	110.4	I305 D314 V316 R368 N370 L379	I305-I377 HydrophobicContact CG2-CD1 3.5Å; I305-I377 VanDerWaalsContact CG2-CD1 3.5Å; D314-I377 CarbonylContact O-C 3.54Å; D314-I377 WeakPolarHBondContact O-CA 3.36Å; V316-I377 HydrophobicContact CG2-CD1 4.01Å; V316-I377 HydrophobicContact CG2-CG1 4.5Å; R368-I377 HydrophobicContact CG-CG2 4.22Å; R368-I377 PolarHBondContact N-O 3.33Å; R368-I377 PolarHBondContact O-N 2.79Å; R368-I377 VanDerWaalsContact O-O 3.12Å; N370-I377 HydrophobicContact CB-CG2 4.05Å; I377-L379 HydrophobicContact CD1-CD2 4.18Å; I377-L379 HydrophobicContact CG1-CD2 4.02Å
378	T	95.6	Very high	94.1	Very high	3 Å²	3	49.9 Å²	49.9	2%	0.018	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	123.2	173.3	-59.5	0	0	0	0	108.7	D314 Y315 V316 Y365	D314-T378 PolarHBondContact O-N 3.25Å; Y315-T378 CarbonylContact C-O 3.41Å; Y315-T378 WeakPolarHBondContact CA-O 3.4Å; Y315-T378 VanDerWaalsContact CD1-CB 3.42Å; Y315-T378 HydrophobicContact CD1-CG2 3.65Å; Y315-T378 HydrophobicContact CE1-CG2 3.89Å; V316-T378 PolarHBondContact N-O 2.89Å; Y365-T378 HydrophobicContact CD2-CG2 4.16Å; Y365-T378 HydrophobicContact CE1-CG2 4.32Å; Y365-T378 HydrophobicContact CE2-CG2 3.35Å; Y365-T378 VanDerWaalsContact CZ-CG2 3.45Å; Y365-T378 WeakPolarHBondContact OH-CG2 3.43Å
379	L	96.1	Very high	94.5	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	128.1	174.9	-56.3	-179.8	0	0	0	108.5	I305 V316 M318 I333 H366 I377	I305-L379 HydrophobicContact CD1-CD2 4.25Å; I305-L379 HydrophobicContact CG2-CD2 4.35Å; V316-L379 HydrophobicContact CB-CD2 3.76Å; V316-L379 HydrophobicContact CG2-CD2 4.11Å; V316-L379 WeakPolarHBondContact O-CA 3.45Å; M318-L379 HydrophobicContact CE-CB 3.87Å; M318-L379 HydrophobicContact CE-CD1 4.47Å; M318-L379 HydrophobicContact CE-CD2 3.96Å; M318-L379 HydrophobicContact CE-CG 4.31Å; I333-L379 HydrophobicContact CD1-CB 4.13Å; I333-L379 HydrophobicContact CD1-CD1 4.44Å; H366-L379 PolarHBondContact N-O 2.86Å; H366-L379 PolarHBondContact O-N 3.07Å; I377-L379 HydrophobicContact CD1-CD2 4.18Å; I377-L379 HydrophobicContact CG1-CD2 4.02Å
380	S	95.4	Very high	94.8	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.007	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	121.2	173.4	-173.5	0	0	0	0	109.5	V316 I317 M318 M364 K398 D597	V316-S380 PolarHBondContact O-N 3.44Å; I317-S380 CarbonylContact C-O 3.34Å; I317-S380 WeakPolarHBondContact CA-O 3.41Å; M318-S380 PolarHBondContact N-O 2.71Å; M364-S380 CarbonylContact O-C 3.53Å; M364-S380 VanDerWaalsContact O-CA 3.28Å; M364-S380 WeakPolarHBondContact O-CA 3.38Å; S380-K398 PolarHBondContact OG-NZ 3.19Å; S380-D597 PolarHBondContact OG-O 3.02Å
381	L	96.9	Very high	95.1	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	117.5	170.7	175.5	62.1	0	0	0	108.5	M318 M320 R325 L329 I333 G363 M364 D597	M318-L381 HydrophobicContact CB-CD1 3.99Å; M320-L381 HydrophobicContact CG-CD1 3.78Å; M320-L381 HydrophobicContact CG-CD2 4.45Å; M320-L381 HydrophobicContact SD-CD1 4.27Å; M320-L381 HydrophobicContact SD-CD2 4.25Å; R325-L381 HydrophobicContact CG-CD2 4.37Å; L329-L381 HydrophobicContact CD2-CD2 3.81Å; L329-L381 HydrophobicContact CG-CD2 4.05Å; I333-L381 HydrophobicContact CD1-CB 4.23Å; I333-L381 HydrophobicContact CG1-CB 4.47Å; G363-L381 CarbonylContact C-O 3.43Å; G363-L381 WeakPolarHBondContact CA-O 3.06Å; M364-L381 PolarHBondContact N-O 3.04Å; M364-L381 PolarHBondContact O-N 3.34Å; L381-D597 VanDerWaalsContact O-CB 3.24Å; L381-D597 WeakPolarHBondContact O-CB 3.18Å
382	V	96.4	Very high	95.7	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.006	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-70.7	136.4	-178.6	174.7	0	0	0	0	110.3	I317 M318 R325 V394 V395 K398	I317-V382 HydrophobicContact CG2-CG2 4.19Å; M318-V382 PolarHBondContact O-N 3.23Å; R325-V382 PolarHBondContact NH2-O 3.24Å; V382-V394 HydrophobicContact CG1-CG1 4.08Å; V382-V395 HydrophobicContact CB-CG2 3.86Å; V382-V395 HydrophobicContact CG1-CG2 4.47Å; V382-V395 HydrophobicContact CG2-CG2 3.66Å; V382-K398 HydrophobicContact CG2-CD 4Å
383	A	95.1	Very high	96.2	Very high	2 Å²	2	28 Å²	28	2%	0.017	15%	0.148	C	C	.	.	P	Polyproline II helix	trans	-67.7	140.8	169.8	0	0	0	0	0	110.4	H361 D597 W780	H361-A383 VanDerWaalsContact O-CA 3.23Å; H361-A383 WeakPolarHBondContact O-CA 3.43Å; A383-D597 PolarHBondContact N-OD2 3.31Å; A383-W780 HydrophobicContact CB-CB 4.21Å; A383-W780 HydrophobicContact CB-CD2 3.64Å; A383-W780 HydrophobicContact CB-CE3 4.14Å; A383-W780 HydrophobicContact CB-CG 3.68Å
384	N	96.9	Very high	96.6	Very high	10 Å²	10	26.4 Å²	26.4	5%	0.053	14%	0.139	C	C	.	.			trans	-142.5	148.8	-173.9	63.5	-87.4	0	0	0	112.4	M320 R325 H361 A391	M320-N384 PolarHBondContact O-OD1 3.27Å; M320-N384 VanDerWaalsContact O-OD1 3.1Å; R325-N384 PolarHBondContact NH1-OD1 3.25Å; R325-N384 PolarHBondContact NH2-OD1 3.33Å; H361-N384 WeakPolarHBondContact CB-O 3.39Å; H361-N384 PolarHBondContact CD2-O 3.48Å; H361-N384 VanDerWaalsContact CD2-O 3.3Å; H361-N384 PolarHBondContact O-N 3.42Å; N384-A391 HydrophobicContact CB-CB 3.58Å
385	P	97	Very high	96.9	Very high	3 Å²	3	20.1 Å²	20.1	2%	0.019	11%	0.105	C	C	.	.			trans	-74	175.6	170	35.6	-36.3	0	0	0	110.8	H387 Q771 F772	P385-H387 HydrophobicContact CG-CB 4.18Å; P385-H387 PolarHBondContact O-N 3.29Å; P385-Q771 HydrophobicContact CB-CB 3.83Å; P385-Q771 HydrophobicContact CB-CG 4.38Å; P385-Q771 HydrophobicContact CG-CB 3.82Å; P385-F772 VanDerWaalsContact CD-CE2 3.5Å; P385-F772 HydrophobicContact CG-CD2 4.35Å; P385-F772 HydrophobicContact CG-CE2 3.62Å; P385-F772 HydrophobicContact CG-CZ 3.83Å
386	S	97.3	Very high	97.2	Very high	73 Å²	73	16.5 Å²	16.5	51%	0.51	9%	0.092	S	C	.	.	S	Bend	trans	-70.1	-9.2	171.6	-48.4	0	0	0	0	114.4	H361 L388	H361-S386 PolarHBondContact CE1-OG 2.75Å; H361-S386 PolarHBondContact NE2-N 2.79Å; H361-S386 PolarHBondContact NE2-OG 2.82Å; S386-L388 PolarHBondContact O-N 2.83Å
387	H	98.3	Very high	97.4	Very high	93 Å²	93	12.6 Å²	12.6	43%	0.431	7%	0.071	S	C	.	.	S	Bend	trans	-71.6	98.8	176.6	-63.8	61.3	0	0	0	107.4	P385 A390 C767 Q771	P385-H387 HydrophobicContact CG-CB 4.18Å; P385-H387 PolarHBondContact O-N 3.29Å; H387-A390 HydrophobicContact CB-CB 4.14Å; H387-A390 VanDerWaalsContact O-CB 3.22Å; H387-A390 WeakPolarHBondContact O-CB 3.36Å; H387-A390 PolarHBondContact O-N 3.26Å; H387-C767 VanDerWaalsContact CB-SG 3.53Å; H387-C767 PolarHBondContact CD2-SG 3.43Å; H387-C767 VanDerWaalsContact CG-SG 3.57Å; H387-Q771 PolarHBondContact CE1-NE2 2.86Å; H387-Q771 PolarHBondContact ND1-NE2 3.03Å
388	L	98.3	Very high	97.5	Very high	55 Å²	55	12.6 Å²	12.6	29%	0.288	7%	0.071	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	145.7	-171	-58.1	177.8	0	0	0	110.9	P321 S386 A390 A424	P321-L388 HydrophobicContact CB-CD2 3.87Å; S386-L388 PolarHBondContact O-N 2.83Å; L388-A390 PolarHBondContact O-N 2.79Å; L388-A424 HydrophobicContact CB-CB 3.8Å; L388-A424 HydrophobicContact CD1-CB 3.61Å; L388-A424 HydrophobicContact CG-CB 4.34Å
389	E	98.7	Very high	97.7	Very high	9 Å²	9	12.5 Å²	12.5	4%	0.042	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.8	-8	-179.9	-37.8	-52.5	162.3	0	0	115.3	A391 D392 H420 A424 Q428 I430 V431	E389-A391 PolarHBondContact O-N 2.96Å; E389-A391 VanDerWaalsContact O-N 3.11Å; E389-D392 VanDerWaalsContact O-CB 3.3Å; E389-D392 WeakPolarHBondContact O-CB 3.37Å; E389-D392 VanDerWaalsContact O-CG 3.28Å; E389-D392 PolarHBondContact O-N 2.77Å; E389-H420 IonicContact OE2-CE1 3.05Å; E389-H420 IonicContact OE2-CG 4Å; E389-H420 IonicContact OE2-ND1 3.42Å; E389-H420 PolarHBondContact OE2-ND1 3.33Å; E389-A424 HydrophobicContact CG-CB 4.01Å; E389-A424 WeakPolarHBondContact OE1-CB 3.46Å; E389-Q428 HydrophobicContact CB-CB 4.12Å; E389-Q428 HydrophobicContact CB-CG 4.4Å; E389-Q428 HydrophobicContact CG-CB 3.93Å; E389-Q428 HydrophobicContact CG-CG 3.95Å; E389-I430 HydrophobicContact CB-CG2 3.59Å; E389-I430 WeakPolarHBondContact O-CG2 3.46Å; E389-V431 HydrophobicContact CB-CG2 3.62Å; E389-V431 HydrophobicContact CG-CG2 3.53Å
390	A	98.6	Very high	97.8	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-20.5	178.3	0	0	0	0	0	113.9	H387 L388 Y734 F772	H387-A390 HydrophobicContact CB-CB 4.14Å; H387-A390 VanDerWaalsContact O-CB 3.22Å; H387-A390 WeakPolarHBondContact O-CB 3.36Å; H387-A390 PolarHBondContact O-N 3.26Å; L388-A390 PolarHBondContact O-N 2.79Å; A390-Y734 WeakPolarHBondContact CB-OH 3.26Å; A390-F772 HydrophobicContact CB-CE2 4Å; A390-F772 HydrophobicContact CB-CZ 4.5Å
391	A	98.3	Very high	97.9	Very high	7 Å²	7	14 Å²	14	6%	0.058	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-14.7	177.4	0	0	0	0	0	113.5	N384 E389 V394 V395 F772	N384-A391 HydrophobicContact CB-CB 3.58Å; E389-A391 PolarHBondContact O-N 2.96Å; E389-A391 VanDerWaalsContact O-N 3.11Å; A391-V394 WeakPolarHBondContact O-CB 3.48Å; A391-V394 PolarHBondContact O-N 2.62Å; A391-V394 VanDerWaalsContact O-N 3.14Å; A391-V395 WeakPolarHBondContact O-CG2 3.42Å; A391-V395 PolarHBondContact O-N 3.06Å; A391-F772 HydrophobicContact CB-CZ 4.18Å
392	D	98.8	Very high	97.9	Very high	5 Å²	5	15.5 Å²	15.5	3%	0.027	8%	0.084	C	C	.	.	H	α-helix	trans	-57.2	-54.1	-175.4	-65.8	-0	0	0	0	112.3	E389 V394 V395 M396 L418 H420 T434	E389-D392 VanDerWaalsContact O-CB 3.3Å; E389-D392 WeakPolarHBondContact O-CB 3.37Å; E389-D392 VanDerWaalsContact O-CG 3.28Å; E389-D392 PolarHBondContact O-N 2.77Å; D392-V394 VanDerWaalsContact C-N 3.26Å; D392-V394 PolarHBondContact O-N 3.05Å; D392-V395 WeakPolarHBondContact O-CB 3.37Å; D392-V395 PolarHBondContact O-N 2.97Å; D392-M396 WeakPolarHBondContact O-CG 3.44Å; D392-M396 PolarHBondContact O-N 2.74Å; D392-M396 VanDerWaalsContact O-N 3.11Å; D392-L418 HydrophobicContact CB-CD1 3.93Å; D392-L418 HydrophobicContact CB-CD2 4.33Å; D392-H420 IonicContact OD1-CE1 2.95Å; D392-H420 IonicContact OD2-CE1 2.77Å; D392-H420 PolarHBondContact OD2-CE1 2.84Å; D392-H420 IonicContact OD2-ND1 3.21Å; D392-H420 PolarHBondContact OD2-ND1 2.69Å; D392-T434 HydrophobicContact CB-CG2 4.13Å
393	P	98.6	Very high	97.9	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-67	-28.7	178.1	26.9	-35.1	0	0	0	112.4	V395 M396 G397 I430 T434 G735 F739	P393-V395 VanDerWaalsContact C-N 3.33Å; P393-V395 PolarHBondContact O-N 2.7Å; P393-M396 WeakPolarHBondContact O-CB 3.46Å; P393-M396 PolarHBondContact O-N 3.13Å; P393-G397 PolarHBondContact O-N 3.07Å; P393-I430 HydrophobicContact CG-CD1 3.5Å; P393-I430 HydrophobicContact CG-CG1 4.09Å; P393-T434 WeakPolarHBondContact CD-OG1 3.42Å; P393-G735 WeakPolarHBondContact CB-O 3.37Å; P393-F739 VanDerWaalsContact O-CA 3.29Å; P393-F739 WeakPolarHBondContact O-CA 3.34Å
394	V	98.7	Very high	98	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-63.6	-41.3	176.2	-172.8	0	0	0	0	110.8	V382 A391 D392 K398 G738 L741 G742 M745 F772	V382-V394 HydrophobicContact CG1-CG1 4.08Å; A391-V394 WeakPolarHBondContact O-CB 3.48Å; A391-V394 PolarHBondContact O-N 2.62Å; A391-V394 VanDerWaalsContact O-N 3.14Å; D392-V394 VanDerWaalsContact C-N 3.26Å; D392-V394 PolarHBondContact O-N 3.05Å; V394-K398 WeakPolarHBondContact O-CB 3.47Å; V394-K398 PolarHBondContact O-N 3.07Å; V394-G738 VanDerWaalsContact CA-O 3.27Å; V394-G738 WeakPolarHBondContact CA-O 3.44Å; V394-L741 HydrophobicContact CG1-CD2 4.34Å; V394-L741 HydrophobicContact CG2-CD2 4Å; V394-G742 VanDerWaalsContact O-CA 3.26Å; V394-G742 WeakPolarHBondContact O-CA 3.48Å; V394-M745 HydrophobicContact CG1-SD 3.65Å; V394-F772 HydrophobicContact CG2-CD1 4.41Å; V394-F772 HydrophobicContact CG2-CE1 4.08Å; V394-F772 HydrophobicContact CG2-CZ 4.17Å
395	V	98.6	Very high	97.9	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-64.1	-43.7	173.8	168.3	0	0	0	0	110.9	I317 V382 A391 D392 P393 K398 T399 L418	I317-V395 HydrophobicContact CB-CG1 4.38Å; I317-V395 HydrophobicContact CG2-CG1 4Å; V382-V395 HydrophobicContact CB-CG2 3.86Å; V382-V395 HydrophobicContact CG1-CG2 4.47Å; V382-V395 HydrophobicContact CG2-CG2 3.66Å; A391-V395 WeakPolarHBondContact O-CG2 3.42Å; A391-V395 PolarHBondContact O-N 3.06Å; D392-V395 WeakPolarHBondContact O-CB 3.37Å; D392-V395 PolarHBondContact O-N 2.97Å; P393-V395 VanDerWaalsContact C-N 3.33Å; P393-V395 PolarHBondContact O-N 2.7Å; V395-K398 PolarHBondContact O-N 3.06Å; V395-T399 WeakPolarHBondContact O-CB 3.28Å; V395-T399 PolarHBondContact O-N 3.39Å; V395-T399 PolarHBondContact O-OG1 3.15Å; V395-L418 HydrophobicContact CB-CD2 3.8Å; V395-L418 HydrophobicContact CG1-CD2 3.73Å; V395-L418 HydrophobicContact CG1-CG 4.46Å; V395-L418 HydrophobicContact CG2-CD2 4.04Å
396	M	98.4	Very high	97.7	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.005	13%	0.125	C	C	.	.	H	α-helix	trans	-61.6	-46.4	178.4	-64.7	-63.7	-80.1	0	0	111.8	D392 P393 K398 T399 K400 L418 T434 T445 T448 F739	D392-M396 WeakPolarHBondContact O-CG 3.44Å; D392-M396 PolarHBondContact O-N 2.74Å; D392-M396 VanDerWaalsContact O-N 3.11Å; P393-M396 WeakPolarHBondContact O-CB 3.46Å; P393-M396 PolarHBondContact O-N 3.13Å; M396-K398 PolarHBondContact O-N 3.37Å; M396-T399 WeakPolarHBondContact O-CB 3.48Å; M396-T399 PolarHBondContact O-N 2.69Å; M396-K400 PolarHBondContact O-N 2.84Å; M396-L418 HydrophobicContact SD-CD1 4.47Å; M396-T434 HydrophobicContact CG-CG2 3.65Å; M396-T445 HydrophobicContact CB-CG2 4.33Å; M396-T445 HydrophobicContact CE-CG2 3.87Å; M396-T445 WeakPolarHBondContact CE-OG1 3.39Å; M396-T445 VanDerWaalsContact O-CG2 3.27Å; M396-T445 WeakPolarHBondContact O-CG2 3.19Å; M396-T445 HydrophobicContact SD-CG2 4.19Å; M396-T448 WeakPolarHBondContact CE-OG1 3.22Å; M396-T448 HydrophobicContact SD-CG2 4.46Å; M396-T448 PolarHBondContact SD-OG1 2.98Å; M396-F739 HydrophobicContact CB-CD2 3.8Å; M396-F739 HydrophobicContact CB-CE2 3.92Å
397	G	98.3	Very high	97.7	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-60	-45.5	176.1	0	0	0	0	0	113.3	P393 T399 K400 A401 F739 F743	P393-G397 PolarHBondContact O-N 3.07Å; G397-T399 VanDerWaalsContact C-N 3.34Å; G397-T399 PolarHBondContact O-N 3.4Å; G397-K400 PolarHBondContact O-N 3.06Å; G397-A401 PolarHBondContact O-N 3.12Å; G397-F739 WeakPolarHBondContact CA-O 3.34Å; G397-F743 WeakPolarHBondContact O-CA 3.43Å
398	K	98.1	Very high	97.6	Very high	1 Å²	1	19.5 Å²	19.5	0%	0.004	11%	0.108	C	C	.	.	H	α-helix	trans	-63.5	-40.9	176	-175.4	172.9	-177.7	173.6	0	111.7	I317 S380 V382 V394 V395 M396 A401 E402 D597 S598 G742	I317-K398 HydrophobicContact CG2-CB 4.31Å; I317-K398 HydrophobicContact CG2-CD 3.96Å; I317-K398 HydrophobicContact CG2-CG 4.15Å; S380-K398 PolarHBondContact OG-NZ 3.19Å; V382-K398 HydrophobicContact CG2-CD 4Å; V394-K398 WeakPolarHBondContact O-CB 3.47Å; V394-K398 PolarHBondContact O-N 3.07Å; V395-K398 PolarHBondContact O-N 3.06Å; M396-K398 PolarHBondContact O-N 3.37Å; K398-A401 PolarHBondContact O-N 3.08Å; K398-E402 WeakPolarHBondContact O-CG 3.48Å; K398-E402 PolarHBondContact O-N 2.8Å; K398-D597 PolarHBondContact NZ-O 2.83Å; K398-D597 IonicContact NZ-OD1 3.68Å; K398-D597 PolarHBondContact NZ-OD1 3.49Å; K398-S598 WeakPolarHBondContact CE-OG 3.49Å; K398-S598 PolarHBondContact NZ-OG 3.38Å; K398-G742 WeakPolarHBondContact CA-O 3.38Å; K398-G742 VanDerWaalsContact N-C 3.34Å; K398-G742 PolarHBondContact N-O 3.08Å
399	T	98.5	Very high	97.4	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-60.8	-46.1	175.8	-58.3	0	0	0	0	110.6	I317 V395 M396 G397 A401 E402 Q403 V414 T445	I317-T399 WeakPolarHBondContact CB-OG1 3.48Å; V395-T399 WeakPolarHBondContact O-CB 3.28Å; V395-T399 PolarHBondContact O-N 3.39Å; V395-T399 PolarHBondContact O-OG1 3.15Å; M396-T399 WeakPolarHBondContact O-CB 3.48Å; M396-T399 PolarHBondContact O-N 2.69Å; G397-T399 VanDerWaalsContact C-N 3.34Å; G397-T399 PolarHBondContact O-N 3.4Å; T399-A401 VanDerWaalsContact C-N 3.32Å; T399-A401 PolarHBondContact O-N 3.07Å; T399-E402 PolarHBondContact O-N 3.48Å; T399-Q403 WeakPolarHBondContact O-CG 3.21Å; T399-Q403 PolarHBondContact O-N 3.22Å; T399-V414 HydrophobicContact CG2-CG1 3.99Å; T399-T445 HydrophobicContact CG2-CG2 3.96Å
400	K	98	Very high	97.1	Very high	32 Å²	32	27 Å²	27	14%	0.139	15%	0.15	C	C	.	.	H	α-helix	trans	-62.7	-39.3	177.2	-174.4	60.9	166.2	-170.6	0	112.5	M396 G397 Q403 F404 T444 T445 F739 F743	M396-K400 PolarHBondContact O-N 2.84Å; G397-K400 PolarHBondContact O-N 3.06Å; K400-Q403 WeakPolarHBondContact O-CB 3.4Å; K400-Q403 PolarHBondContact O-N 3.37Å; K400-F404 WeakPolarHBondContact O-CB 3.15Å; K400-F404 PolarHBondContact O-N 3.47Å; K400-T444 WeakPolarHBondContact CD-O 3.47Å; K400-T444 WeakPolarHBondContact CE-O 3.36Å; K400-T444 PolarHBondContact NZ-O 2.89Å; K400-T445 HydrophobicContact CB-CG2 4.22Å; K400-F739 HydrophobicContact CB-CE1 4.13Å; K400-F739 HydrophobicContact CB-CE2 4.27Å; K400-F739 HydrophobicContact CB-CZ 3.46Å; K400-F739 VanDerWaalsContact CB-CZ 3.46Å; K400-F739 HydrophobicContact CG-CE1 4.26Å; K400-F739 HydrophobicContact CG-CZ 3.76Å; K400-F743 HydrophobicContact CB-CD2 4.26Å; K400-F743 HydrophobicContact CB-CE2 4.39Å; K400-F743 HydrophobicContact CG-CD2 4.21Å; K400-F743 HydrophobicContact CG-CE2 3.97Å
401	A	97.3	Very high	96.9	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-67.1	-42.6	177.8	0	0	0	0	0	112.2	G397 K398 T399 Q403 F404 Y405 F743 A746	G397-A401 PolarHBondContact O-N 3.12Å; K398-A401 PolarHBondContact O-N 3.08Å; T399-A401 VanDerWaalsContact C-N 3.32Å; T399-A401 PolarHBondContact O-N 3.07Å; A401-Q403 VanDerWaalsContact C-N 3.34Å; A401-Q403 PolarHBondContact O-N 3.14Å; A401-F404 WeakPolarHBondContact O-CB 3.48Å; A401-F404 PolarHBondContact O-N 3.29Å; A401-Y405 HydrophobicContact CB-CD2 4.37Å; A401-Y405 HydrophobicContact CB-CE2 4.12Å; A401-Y405 WeakPolarHBondContact O-CD2 3.42Å; A401-Y405 PolarHBondContact O-N 2.87Å; A401-F743 HydrophobicContact CB-CB 4.34Å; A401-F743 HydrophobicContact CB-CD1 3.94Å; A401-F743 HydrophobicContact CB-CD2 3.7Å; A401-F743 HydrophobicContact CB-CE1 4.07Å; A401-F743 HydrophobicContact CB-CE2 3.84Å; A401-F743 HydrophobicContact CB-CG 3.74Å; A401-F743 HydrophobicContact CB-CZ 4.01Å; A401-A746 HydrophobicContact CB-CB 3.38Å
402	E	97	Very high	96.8	Very high	34 Å²	34	31.7 Å²	31.7	16%	0.159	17%	0.169	C	C	.	.	H	α-helix	trans	-62.3	-42.6	174	-67.4	-66	170.3	0	0	111.2	I317 K398 T399 F404 Y405 C406 V414	I317-E402 HydrophobicContact CD1-CG 4.28Å; K398-E402 WeakPolarHBondContact O-CG 3.48Å; K398-E402 PolarHBondContact O-N 2.8Å; T399-E402 PolarHBondContact O-N 3.48Å; E402-F404 VanDerWaalsContact C-N 3.3Å; E402-F404 PolarHBondContact O-N 3.44Å; E402-Y405 PolarHBondContact O-N 3.03Å; E402-C406 WeakPolarHBondContact O-CB 3.38Å; E402-C406 PolarHBondContact O-N 2.95Å; E402-C406 PolarHBondContact O-SG 2.93Å; E402-V414 HydrophobicContact CB-CG1 3.78Å; E402-V414 HydrophobicContact CB-CG2 4.27Å
403	Q	97.5	Very high	96.8	Very high	4 Å²	4	35.9 Å²	35.9	2%	0.019	19%	0.187	C	C	.	.	H	α-helix	trans	-55.2	-48.2	172.6	-76.5	175.8	-14.8	0	0	111.2	T399 K400 A401 G407 D408 V414 T445	T399-Q403 WeakPolarHBondContact O-CG 3.21Å; T399-Q403 PolarHBondContact O-N 3.22Å; K400-Q403 WeakPolarHBondContact O-CB 3.4Å; K400-Q403 PolarHBondContact O-N 3.37Å; A401-Q403 VanDerWaalsContact C-N 3.34Å; A401-Q403 PolarHBondContact O-N 3.14Å; Q403-G407 PolarHBondContact O-N 2.89Å; Q403-G407 VanDerWaalsContact O-N 3.17Å; Q403-D408 HydrophobicContact CB-CB 4.34Å; Q403-D408 HydrophobicContact CG-CB 4.39Å; Q403-D408 PolarHBondContact O-N 3.15Å; Q403-V414 HydrophobicContact CG-CB 3.62Å; Q403-V414 HydrophobicContact CG-CG1 4.14Å; Q403-V414 HydrophobicContact CG-CG2 4.15Å; Q403-V414 PolarHBondContact NE2-O 2.96Å; Q403-T445 PolarHBondContact NE2-O 2.94Å
404	F	96.4	Very high	96.8	Very high	75 Å²	75	35.9 Å²	35.9	33%	0.329	19%	0.187	S	C	.	.	H	α-helix	trans	-61.5	-52.5	-179.9	-178.5	-93	0	0	0	112.5	K400 A401 E402 C406 G407 H681 P723 F743	K400-F404 WeakPolarHBondContact O-CB 3.15Å; K400-F404 PolarHBondContact O-N 3.47Å; A401-F404 WeakPolarHBondContact O-CB 3.48Å; A401-F404 PolarHBondContact O-N 3.29Å; E402-F404 VanDerWaalsContact C-N 3.3Å; E402-F404 PolarHBondContact O-N 3.44Å; F404-C406 VanDerWaalsContact C-N 3.34Å; F404-C406 PolarHBondContact O-N 3.37Å; F404-G407 PolarHBondContact O-N 2.93Å; F404-H681 AromaticContact CD1-CE1 3.95Å; F404-H681 AromaticContact CD1-ND1 3.91Å; F404-H681 HydrophobicContact CE1-CB 4.48Å; F404-H681 AromaticContact CE1-CE1 3.37Å; F404-H681 WeakPolarHBondContact CE1-CE1 3.2Å; F404-H681 AromaticContact CE1-CG 3.75Å; F404-H681 AromaticContact CE1-ND1 3.25Å; F404-H681 VanDerWaalsContact CE1-ND1 3.25Å; F404-H681 WeakPolarHBondContact CE1-ND1 3.3Å; F404-H681 AromaticContact CE1-NE2 3.93Å; F404-H681 AromaticContact CZ-CD2 3.88Å; F404-H681 AromaticContact CZ-CE1 3.41Å; F404-H681 VanDerWaalsContact CZ-CE1 3.41Å; F404-H681 WeakPolarHBondContact CZ-CE1 3.1Å; F404-H681 AromaticContact CZ-CG 3.98Å; F404-H681 AromaticContact CZ-ND1 3.71Å; F404-H681 AromaticContact CZ-NE2 3.53Å; F404-P723 HydrophobicContact CE1-CG 4.16Å; F404-P723 HydrophobicContact CE2-CG 4.41Å; F404-P723 HydrophobicContact CZ-CB 4.14Å; F404-P723 HydrophobicContact CZ-CG 3.47Å; F404-P723 VanDerWaalsContact CZ-CG 3.47Å; F404-F743 HydrophobicContact CB-CZ 4.31Å; F404-F743 HydrophobicContact CD1-CZ 4.42Å; F404-F743 HydrophobicContact CG-CZ 4.32Å
405	Y	94.7	Very high	96.7	Very high	83 Å²	83	35.9 Å²	35.9	33%	0.325	19%	0.187	S	C	.	.	H	α-helix	trans	-72.7	-24.8	-174.5	-67	-57.8	0	0	0	113.6	A401 E402 H681 F743 A746 S747 A750	A401-Y405 HydrophobicContact CB-CD2 4.37Å; A401-Y405 HydrophobicContact CB-CE2 4.12Å; A401-Y405 WeakPolarHBondContact O-CD2 3.42Å; A401-Y405 PolarHBondContact O-N 2.87Å; E402-Y405 PolarHBondContact O-N 3.03Å; Y405-H681 HydrophobicContact CE1-CB 4.42Å; Y405-H681 AromaticContact CE1-ND1 3.98Å; Y405-H681 AromaticContact CZ-ND1 3.86Å; Y405-H681 PolarHBondContact OH-ND1 2.88Å; Y405-H681 VanDerWaalsContact OH-ND1 3.15Å; Y405-F743 HydrophobicContact CE2-CE1 4.45Å; Y405-A746 HydrophobicContact CD2-CB 4.33Å; Y405-A746 HydrophobicContact CE2-CB 4.23Å; Y405-S747 VanDerWaalsContact CE2-CB 3.49Å; Y405-A750 WeakPolarHBondContact OH-CB 3.03Å
406	C	94.4	Very high	96.7	Very high	42 Å²	42	35.9 Å²	35.9	28%	0.284	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	0.9	173.7	79.8	0	0	0	0	114.1	E402 F404 D408 V414	E402-C406 WeakPolarHBondContact O-CB 3.38Å; E402-C406 PolarHBondContact O-N 2.95Å; E402-C406 PolarHBondContact O-SG 2.93Å; F404-C406 VanDerWaalsContact C-N 3.34Å; F404-C406 PolarHBondContact O-N 3.37Å; C406-D408 VanDerWaalsContact SG-CB 3.5Å; C406-V414 VanDerWaalsContact SG-CG2 3.58Å
407	G	95.5	Very high	96.7	Very high	53 Å²	53	35.9 Å²	35.9	55%	0.546	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.6	27.3	-179.3	0	0	0	0	0	114.3	Q403 F404 T409	Q403-G407 PolarHBondContact O-N 2.89Å; Q403-G407 VanDerWaalsContact O-N 3.17Å; F404-G407 PolarHBondContact O-N 2.93Å; G407-T409 PolarHBondContact O-N 2.96Å
408	D	96.7	Very high	96.7	Very high	9 Å²	9	35.9 Å²	35.9	5%	0.048	19%	0.187	C	C	.	.			trans	-88.6	75.7	177.9	-175.3	26.2	0	0	0	111.5	Q403 C406 E410 G411 K412 K413 V414	Q403-D408 HydrophobicContact CB-CB 4.34Å; Q403-D408 HydrophobicContact CG-CB 4.39Å; Q403-D408 PolarHBondContact O-N 3.15Å; C406-D408 VanDerWaalsContact SG-CB 3.5Å; D408-E410 PolarHBondContact O-N 3.42Å; D408-G411 WeakPolarHBondContact OD1-CA 3.26Å; D408-G411 PolarHBondContact OD1-N 3.47Å; D408-G411 WeakPolarHBondContact OD2-CA 3.12Å; D408-K412 PolarHBondContact OD1-N 2.85Å; D408-K412 PolarHBondContact OD2-N 3.49Å; D408-K412 VanDerWaalsContact OD2-N 3.12Å; D408-K413 HydrophobicContact CB-CB 4.18Å; D408-K413 PolarHBondContact OD1-N 3.41Å; D408-K413 WeakPolarHBondContact OD2-CA 3.33Å; D408-K413 PolarHBondContact OD2-N 3.08Å; D408-V414 HydrophobicContact CB-CG2 4.48Å; D408-V414 PolarHBondContact OD2-N 2.86Å
409	T	93.8	Very high	96.8	Very high	119 Å²	119	35.9 Å²	35.9	73%	0.73	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-11	-179.2	55.7	0	0	0	0	114.2	G407 H446	G407-T409 PolarHBondContact O-N 2.96Å; T409-H446 PolarHBondContact O-NE2 2.81Å
410	E	93.6	Very high	96.8	Very high	101 Å²	101	35.9 Å²	35.9	47%	0.472	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.5	-0.5	-178.5	-61	179.4	178.5	0	0	112.2	D408 K412 H509	D408-E410 PolarHBondContact O-N 3.42Å; E410-K412 VanDerWaalsContact C-N 3.29Å; E410-K412 HydrophobicContact CB-CD 4.18Å; E410-K412 HydrophobicContact CB-CG 4.12Å; E410-K412 PolarHBondContact O-N 2.97Å; E410-K412 WeakPolarHBondContact OE2-CD 3.36Å; E410-K412 WeakPolarHBondContact OE2-CE 3.36Å; E410-K412 IonicContact OE2-NZ 3.5Å; E410-K412 PolarHBondContact OE2-NZ 2.88Å; E410-H509 PolarHBondContact O-CE1 2.77Å; E410-H509 PolarHBondContact O-ND1 3.3Å
411	G	94.4	Very high	96.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.19	C	C	.	.	S	Bend	trans	63.9	27.6	-178.7	0	0	0	0	0	115	D408 H446 R505	D408-G411 WeakPolarHBondContact OD1-CA 3.26Å; D408-G411 PolarHBondContact OD1-N 3.47Å; D408-G411 WeakPolarHBondContact OD2-CA 3.12Å; G411-H446 PolarHBondContact N-CD2 3.13Å; G411-R505 VanDerWaalsContact O-CZ 3.25Å; G411-R505 PolarHBondContact O-NH1 2.94Å; G411-R505 PolarHBondContact O-NH2 3.06Å
412	K	96.6	Very high	96.8	Very high	107 Å²	107	35.5 Å²	35.5	47%	0.465	19%	0.191	S	C	.	.	S	Bend	trans	-84.3	-24.4	-177.9	-72.7	178.6	175.1	168.3	0	113.3	G312 V313 D408 E410	G312-K412 CarbonylContact C-O 3.49Å; G312-K412 VanDerWaalsContact C-O 3.32Å; V313-K412 PolarHBondContact N-O 3.26Å; D408-K412 PolarHBondContact OD1-N 2.85Å; D408-K412 PolarHBondContact OD2-N 3.49Å; D408-K412 VanDerWaalsContact OD2-N 3.12Å; E410-K412 VanDerWaalsContact C-N 3.29Å; E410-K412 HydrophobicContact CB-CD 4.18Å; E410-K412 HydrophobicContact CB-CG 4.12Å; E410-K412 PolarHBondContact O-N 2.97Å; E410-K412 WeakPolarHBondContact OE2-CD 3.36Å; E410-K412 WeakPolarHBondContact OE2-CE 3.36Å; E410-K412 IonicContact OE2-NZ 3.5Å; E410-K412 PolarHBondContact OE2-NZ 2.88Å
413	K	97.4	Very high	96.8	Very high	93 Å²	93	35.2 Å²	35.2	40%	0.404	20%	0.195	S	C	.	.	S	Bend	trans	-102.7	-31.2	-175.8	-61.9	-177.6	-177.8	172.9	0	112.8	V313 D314 Y315 D408	V313-K413 CarbonylContact C-O 3.57Å; D314-K413 PolarHBondContact N-O 2.78Å; Y315-K413 PolarHBondContact N-O 3.08Å; D408-K413 HydrophobicContact CB-CB 4.18Å; D408-K413 PolarHBondContact OD1-N 3.41Å; D408-K413 WeakPolarHBondContact OD2-CA 3.33Å; D408-K413 PolarHBondContact OD2-N 3.08Å
414	V	98.1	Very high	96.8	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	131.1	-177	-171.8	0	0	0	0	109.6	Y315 I317 T399 E402 Q403 C406 D408 R505	Y315-V414 HydrophobicContact CD2-CG2 3.95Å; Y315-V414 HydrophobicContact CG-CG2 4.19Å; Y315-V414 WeakPolarHBondContact O-CA 3.29Å; I317-V414 HydrophobicContact CG1-CG1 4.44Å; T399-V414 HydrophobicContact CG2-CG1 3.99Å; E402-V414 HydrophobicContact CB-CG1 3.78Å; E402-V414 HydrophobicContact CB-CG2 4.27Å; Q403-V414 HydrophobicContact CG-CB 3.62Å; Q403-V414 HydrophobicContact CG-CG1 4.14Å; Q403-V414 HydrophobicContact CG-CG2 4.15Å; Q403-V414 PolarHBondContact NE2-O 2.96Å; C406-V414 VanDerWaalsContact SG-CG2 3.58Å; D408-V414 HydrophobicContact CB-CG2 4.48Å; D408-V414 PolarHBondContact OD2-N 2.86Å; V414-R505 PolarHBondContact O-NH2 2.99Å
415	M	97.9	Very high	96.9	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	164	175.9	78.4	178.8	-70.4	0	0	112.9	I304 S308 V313 Y315 V316 I317 I417 V449 R505	I304-M415 HydrophobicContact CG2-CE 4.4Å; S308-M415 WeakPolarHBondContact CB-SD 3.07Å; S308-M415 PolarHBondContact OG-SD 2.79Å; V313-M415 HydrophobicContact CB-SD 4.48Å; V313-M415 HydrophobicContact CG1-CB 4.36Å; V313-M415 HydrophobicContact CG1-CG 3.78Å; V313-M415 HydrophobicContact CG1-SD 4Å; V313-M415 HydrophobicContact CG2-CB 4.5Å; V313-M415 HydrophobicContact CG2-CG 4.43Å; V313-M415 HydrophobicContact CG2-SD 4.06Å; Y315-M415 PolarHBondContact O-N 2.89Å; V316-M415 WeakPolarHBondContact CA-O 3.35Å; V316-M415 HydrophobicContact CB-CG 4.41Å; V316-M415 HydrophobicContact CG1-CG 4.25Å; V316-M415 HydrophobicContact CG2-CG 3.97Å; V316-M415 HydrophobicContact CG2-SD 4.29Å; I317-M415 PolarHBondContact N-O 2.81Å; M415-I417 HydrophobicContact CE-CG1 4.08Å; M415-V449 HydrophobicContact CE-CB 4.35Å; M415-V449 HydrophobicContact CE-CG2 3.63Å; M415-R505 VanDerWaalsContact CB-NH2 3.3Å
416	S	98.2	Very high	97	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	146.2	171.4	34.9	0	0	0	0	111.9	I317 T448 V449	I317-S416 CarbonylContact O-C 3.54Å; I317-S416 VanDerWaalsContact O-CA 3.23Å; I317-S416 WeakPolarHBondContact O-CA 3.22Å; S416-T448 PolarHBondContact OG-OG1 2.95Å; S416-V449 PolarHBondContact O-N 2.84Å
417	I	98.8	Very high	97.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	124.6	162.7	-56.3	175.1	0	0	0	108.1	L301 I304 I305 V316 I317 M318 G319 M415 L419 V449 V451	L301-I417 HydrophobicContact CD2-CG2 4.05Å; I304-I417 HydrophobicContact CB-CD1 4.37Å; I304-I417 HydrophobicContact CG2-CD1 3.67Å; I304-I417 HydrophobicContact CG2-CG1 4.32Å; I305-I417 HydrophobicContact CG1-CD1 4Å; V316-I417 HydrophobicContact CG1-CB 4.48Å; V316-I417 HydrophobicContact CG1-CD1 3.59Å; V316-I417 HydrophobicContact CG1-CG1 3.76Å; I317-I417 PolarHBondContact O-N 3.34Å; M318-I417 VanDerWaalsContact CA-O 3.26Å; M318-I417 WeakPolarHBondContact CA-O 3.21Å; M318-I417 HydrophobicContact CG-CB 4.15Å; G319-I417 PolarHBondContact N-O 3.44Å; M415-I417 HydrophobicContact CE-CG1 4.08Å; I417-L419 HydrophobicContact CG2-CD1 4Å; I417-V449 VanDerWaalsContact CA-O 3.3Å; I417-V449 WeakPolarHBondContact CA-O 3.47Å; I417-V449 HydrophobicContact CG1-CB 4.44Å; I417-V449 WeakPolarHBondContact CG2-O 3.38Å; I417-V451 HydrophobicContact CG2-CG2 4.34Å
418	L	98.8	Very high	97.3	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	128.9	176.1	-70.2	175.3	0	0	0	110	D392 V395 M396 H420 T448 V449 H450 V451	D392-L418 HydrophobicContact CB-CD1 3.93Å; D392-L418 HydrophobicContact CB-CD2 4.33Å; V395-L418 HydrophobicContact CB-CD2 3.8Å; V395-L418 HydrophobicContact CG1-CD2 3.73Å; V395-L418 HydrophobicContact CG1-CG 4.46Å; V395-L418 HydrophobicContact CG2-CD2 4.04Å; M396-L418 HydrophobicContact SD-CD1 4.47Å; L418-H420 WeakPolarHBondContact CB-NE2 3.45Å; L418-T448 HydrophobicContact CB-CG2 4.21Å; L418-T448 HydrophobicContact CD1-CG2 4.01Å; L418-T448 HydrophobicContact CG-CG2 3.9Å; L418-V449 PolarHBondContact N-O 2.62Å; L418-H450 CarbonylContact O-C 3.59Å; L418-H450 WeakPolarHBondContact O-CA 3.42Å; L418-V451 PolarHBondContact O-N 3.5Å
419	L	98.7	Very high	97.4	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.01	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	139.7	175.5	-71.7	84.5	0	0	0	109.4	L297 L301 G319 M320 P321 I417 V451	L297-L419 HydrophobicContact CD1-CD2 3.94Å; L297-L419 HydrophobicContact CD2-CD2 4.01Å; L297-L419 HydrophobicContact CG-CD2 4.42Å; L301-L419 HydrophobicContact CD1-CD2 4.04Å; L301-L419 HydrophobicContact CD2-CD1 4.04Å; L301-L419 HydrophobicContact CD2-CD2 4.25Å; L301-L419 HydrophobicContact CD2-CG 4.34Å; G319-L419 PolarHBondContact O-N 2.78Å; M320-L419 HydrophobicContact CB-CB 3.61Å; M320-L419 HydrophobicContact CB-CD1 4.07Å; M320-L419 HydrophobicContact CB-CD2 4.23Å; M320-L419 HydrophobicContact CB-CG 4.17Å; M320-L419 HydrophobicContact CE-CD2 4.09Å; P321-L419 WeakPolarHBondContact CD-O 3.45Å; I417-L419 HydrophobicContact CG2-CD1 4Å; L419-V451 CarbonylContact C-O 3.11Å; L419-V451 VanDerWaalsContact CA-O 3.29Å; L419-V451 WeakPolarHBondContact CA-O 3.46Å; L419-V451 HydrophobicContact CG-CB 4.37Å
420	H	98.8	Very high	97.6	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	158.8	-174.9	-46.8	-82.4	0	0	0	111.9	E389 D392 L418 F425 H450 V451 V452 V453	E389-H420 IonicContact OE2-CE1 3.05Å; E389-H420 IonicContact OE2-CG 4Å; E389-H420 IonicContact OE2-ND1 3.42Å; E389-H420 PolarHBondContact OE2-ND1 3.33Å; D392-H420 IonicContact OD1-CE1 2.95Å; D392-H420 IonicContact OD2-CE1 2.77Å; D392-H420 PolarHBondContact OD2-CE1 2.84Å; D392-H420 IonicContact OD2-ND1 3.21Å; D392-H420 PolarHBondContact OD2-ND1 2.69Å; L418-H420 WeakPolarHBondContact CB-NE2 3.45Å; H420-F425 HydrophobicContact CB-CB 3.95Å; H420-F425 HydrophobicContact CB-CD2 3.58Å; H420-F425 HydrophobicContact CB-CE2 4.42Å; H420-F425 HydrophobicContact CB-CG 4.1Å; H420-F425 AromaticContact CD2-CD2 3.48Å; H420-F425 VanDerWaalsContact CD2-CD2 3.48Å; H420-F425 WeakPolarHBondContact CD2-CD2 3.26Å; H420-F425 AromaticContact CD2-CE2 3.43Å; H420-F425 VanDerWaalsContact CD2-CE2 3.43Å; H420-F425 WeakPolarHBondContact CD2-CE2 3.3Å; H420-F425 AromaticContact CE1-CD2 3.95Å; H420-F425 AromaticContact CE1-CE2 3.89Å; H420-F425 AromaticContact CG-CD2 3.28Å; H420-F425 AromaticContact CG-CE2 3.74Å; H420-F425 AromaticContact ND1-CD2 3.62Å; H420-F425 AromaticContact NE2-CD2 3.91Å; H420-F425 AromaticContact NE2-CE2 3.54Å; H420-H450 AromaticContact CE1-ND1 3.84Å; H420-H450 AromaticContact NE2-CG 3.8Å; H420-H450 AromaticContact NE2-ND1 2.99Å; H420-H450 PolarHBondContact NE2-ND1 3.45Å; H420-V451 PolarHBondContact N-O 3.46Å; H420-V452 HydrophobicContact CB-CG2 4.31Å; H420-V453 PolarHBondContact O-N 3.18Å
421	G	98.1	Very high	97.8	Very high	20 Å²	20	23.3 Å²	23.3	21%	0.206	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	145.7	163.3	0	0	0	0	0	110.4	A423 A424 F425	G421-A423 PolarHBondContact O-N 2.84Å; G421-A424 PolarHBondContact O-N 3.06Å; G421-A424 VanDerWaalsContact O-N 3.17Å; G421-F425 WeakPolarHBondContact O-CB 3.45Å; G421-F425 PolarHBondContact O-N 3.18Å
422	D	97.4	Very high	98	Very high	3 Å²	3	28.7 Å²	28.7	2%	0.016	17%	0.172	C	C	.	.	H	α-helix	trans	-53.6	-47.1	-175.8	48.2	-61.4	0	0	0	114	A426 V452 N454 N455 I457 P472	D422-A426 PolarHBondContact O-N 2.97Å; D422-V452 HydrophobicContact CB-CG1 4.38Å; D422-N454 HydrophobicContact CB-CB 4.06Å; D422-N455 PolarHBondContact OD1-N 2.92Å; D422-N455 PolarHBondContact OD1-ND2 3.03Å; D422-I457 PolarHBondContact OD2-N 3.19Å; D422-P472 HydrophobicContact CB-CB 3.91Å; D422-P472 HydrophobicContact CB-CG 3.94Å; D422-P472 WeakPolarHBondContact O-CB 3.35Å
423	A	96.8	Very high	98.1	Very high	28 Å²	28	25.6 Å²	25.6	23%	0.231	16%	0.16	C	C	.	.	H	α-helix	trans	-69.6	-35.8	-178.7	0	0	0	0	0	113	G421 G427	G421-A423 PolarHBondContact O-N 2.84Å; A423-G427 PolarHBondContact O-N 3.4Å; A423-G427 VanDerWaalsContact O-N 3.09Å
424	A	98.1	Very high	98.2	Very high	10 Å²	10	21.4 Å²	21.4	8%	0.083	14%	0.142	C	C	.	.	H	α-helix	trans	-77.5	-40.4	-178.2	0	0	0	0	0	111.5	L388 E389 G421 A426 G427 Q428	L388-A424 HydrophobicContact CB-CB 3.8Å; L388-A424 HydrophobicContact CD1-CB 3.61Å; L388-A424 HydrophobicContact CG-CB 4.34Å; E389-A424 HydrophobicContact CG-CB 4.01Å; E389-A424 WeakPolarHBondContact OE1-CB 3.46Å; G421-A424 PolarHBondContact O-N 3.06Å; G421-A424 VanDerWaalsContact O-N 3.17Å; A424-A426 VanDerWaalsContact C-N 3.25Å; A424-A426 PolarHBondContact O-N 3.25Å; A424-G427 PolarHBondContact O-N 2.94Å; A424-G427 VanDerWaalsContact O-N 3.14Å; A424-Q428 HydrophobicContact CB-CG 4.41Å; A424-Q428 WeakPolarHBondContact O-CB 3.46Å; A424-Q428 WeakPolarHBondContact O-CG 3.11Å; A424-Q428 PolarHBondContact O-N 3.04Å
425	F	98.4	Very high	98.2	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-55.4	-41.3	174.2	-164.6	-108	0	0	0	112.3	H420 G421 V431 F435 V452 P472 T473 V475 V513	H420-F425 HydrophobicContact CB-CB 3.95Å; H420-F425 HydrophobicContact CB-CD2 3.58Å; H420-F425 HydrophobicContact CB-CE2 4.42Å; H420-F425 HydrophobicContact CB-CG 4.1Å; H420-F425 AromaticContact CD2-CD2 3.48Å; H420-F425 VanDerWaalsContact CD2-CD2 3.48Å; H420-F425 WeakPolarHBondContact CD2-CD2 3.26Å; H420-F425 AromaticContact CD2-CE2 3.43Å; H420-F425 VanDerWaalsContact CD2-CE2 3.43Å; H420-F425 WeakPolarHBondContact CD2-CE2 3.3Å; H420-F425 AromaticContact CE1-CD2 3.95Å; H420-F425 AromaticContact CE1-CE2 3.89Å; H420-F425 AromaticContact CG-CD2 3.28Å; H420-F425 AromaticContact CG-CE2 3.74Å; H420-F425 AromaticContact ND1-CD2 3.62Å; H420-F425 AromaticContact NE2-CD2 3.91Å; H420-F425 AromaticContact NE2-CE2 3.54Å; G421-F425 WeakPolarHBondContact O-CB 3.45Å; G421-F425 PolarHBondContact O-N 3.18Å; F425-V431 HydrophobicContact CD2-CG1 3.71Å; F425-V431 HydrophobicContact CD2-CG2 4.48Å; F425-V431 HydrophobicContact CE2-CG1 3.67Å; F425-V431 HydrophobicContact CG-CG1 4.34Å; F425-V431 HydrophobicContact CZ-CG1 4.22Å; F425-F435 HydrophobicContact CE1-CE2 4.38Å; F425-F435 AromaticContact CE2-CE2 3.78Å; F425-F435 HydrophobicContact CE2-CE2 3.78Å; F425-F435 HydrophobicContact CE2-CZ 4.1Å; F425-F435 AromaticContact CZ-CE2 3.44Å; F425-F435 HydrophobicContact CZ-CE2 3.44Å; F425-F435 VanDerWaalsContact CZ-CE2 3.44Å; F425-F435 AromaticContact CZ-CZ 3.64Å; F425-F435 HydrophobicContact CZ-CZ 3.64Å; F425-V452 HydrophobicContact CD1-CG2 3.99Å; F425-V452 HydrophobicContact CD2-CG2 4.21Å; F425-V452 HydrophobicContact CE1-CG2 4.12Å; F425-V452 HydrophobicContact CE2-CG2 4.3Å; F425-V452 HydrophobicContact CG-CG2 4.02Å; F425-V452 HydrophobicContact CZ-CG2 4.24Å; F425-P472 WeakPolarHBondContact CD1-O 3.37Å; F425-T473 HydrophobicContact CD1-CG2 4.41Å; F425-T473 HydrophobicContact CE1-CG2 4.19Å; F425-V475 HydrophobicContact CD1-CG1 3.67Å; F425-V475 HydrophobicContact CE1-CG1 3.33Å; F425-V475 HydrophobicContact CG-CG1 4.43Å; F425-V475 HydrophobicContact CZ-CG1 3.88Å; F425-V513 HydrophobicContact CZ-CG2 4.48Å
426	A	97.6	Very high	98.1	Very high	38 Å²	38	25.1 Å²	25.1	31%	0.314	16%	0.159	S	C	.	.	H	α-helix	trans	-81.4	-26.6	178.9	0	0	0	0	0	114	D422 A424 R467 P472	D422-A426 PolarHBondContact O-N 2.97Å; A424-A426 VanDerWaalsContact C-N 3.25Å; A424-A426 PolarHBondContact O-N 3.25Å; A426-R467 HydrophobicContact CB-CB 4.06Å; A426-P472 HydrophobicContact CB-CB 4.31Å
427	G	97.1	Very high	98	Very high	52 Å²	52	25.2 Å²	25.2	54%	0.536	16%	0.159	S	C	.	.	H	α-helix	trans	-103.4	-22.4	-167.3	0	0	0	0	0	115.7	A423 A424	A423-G427 PolarHBondContact O-N 3.4Å; A423-G427 VanDerWaalsContact O-N 3.09Å; A424-G427 PolarHBondContact O-N 2.94Å; A424-G427 VanDerWaalsContact O-N 3.14Å
428	Q	98.4	Very high	97.7	Very high	87 Å²	87	25.2 Å²	25.2	41%	0.407	16%	0.16	S	C	.	.			trans	-92.9	119.9	-176.8	-64.2	-60	-48.1	0	0	111.3	E389 A424 I430 V431	E389-Q428 HydrophobicContact CB-CB 4.12Å; E389-Q428 HydrophobicContact CB-CG 4.4Å; E389-Q428 HydrophobicContact CG-CB 3.93Å; E389-Q428 HydrophobicContact CG-CG 3.95Å; A424-Q428 HydrophobicContact CB-CG 4.41Å; A424-Q428 WeakPolarHBondContact O-CB 3.46Å; A424-Q428 WeakPolarHBondContact O-CG 3.11Å; A424-Q428 PolarHBondContact O-N 3.04Å; Q428-I430 HydrophobicContact CB-CG2 4.26Å; Q428-I430 PolarHBondContact O-N 3.47Å; Q428-I430 VanDerWaalsContact O-N 3.15Å; Q428-V431 HydrophobicContact CB-CG2 4.24Å; Q428-V431 WeakPolarHBondContact O-CB 3.35Å; Q428-V431 PolarHBondContact O-N 3.07Å; Q428-V431 VanDerWaalsContact O-N 3.1Å
429	G	98.2	Very high	97.4	Very high	48 Å²	48	29.2 Å²	29.2	50%	0.495	18%	0.181	S	C	.	.	H	α-helix	trans	-60	-26.1	-179.3	0	0	0	0	0	114.4	V431 Y432 E433	G429-V431 PolarHBondContact O-N 3.28Å; G429-Y432 WeakPolarHBondContact O-CB 3.48Å; G429-Y432 PolarHBondContact O-N 3.45Å; G429-Y432 VanDerWaalsContact O-N 3.15Å; G429-E433 PolarHBondContact O-N 2.83Å; G429-E433 VanDerWaalsContact O-N 3.09Å
430	I	98.4	Very high	97.2	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-64.3	-24.4	177.8	-156.6	-176.6	0	0	0	113.1	E389 P393 Q428 E433 T434 Y734	E389-I430 HydrophobicContact CB-CG2 3.59Å; E389-I430 WeakPolarHBondContact O-CG2 3.46Å; P393-I430 HydrophobicContact CG-CD1 3.5Å; P393-I430 HydrophobicContact CG-CG1 4.09Å; Q428-I430 HydrophobicContact CB-CG2 4.26Å; Q428-I430 PolarHBondContact O-N 3.47Å; Q428-I430 VanDerWaalsContact O-N 3.15Å; I430-E433 PolarHBondContact O-N 3.04Å; I430-T434 WeakPolarHBondContact O-CB 3.24Å; I430-T434 PolarHBondContact O-N 3.44Å; I430-T434 PolarHBondContact O-OG1 2.84Å; I430-Y734 HydrophobicContact CB-CD1 3.74Å; I430-Y734 HydrophobicContact CB-CE1 3.61Å; I430-Y734 HydrophobicContact CB-CG 4.4Å; I430-Y734 HydrophobicContact CD1-CD1 3.96Å; I430-Y734 HydrophobicContact CD1-CD2 3.61Å; I430-Y734 HydrophobicContact CD1-CE1 3.75Å; I430-Y734 HydrophobicContact CD1-CE2 3.37Å; I430-Y734 HydrophobicContact CD1-CG 3.9Å; I430-Y734 VanDerWaalsContact CD1-CZ 3.45Å; I430-Y734 HydrophobicContact CG1-CD1 3.81Å; I430-Y734 HydrophobicContact CG1-CD2 4.19Å; I430-Y734 HydrophobicContact CG1-CE1 3.92Å; I430-Y734 HydrophobicContact CG1-CE2 4.29Å; I430-Y734 HydrophobicContact CG1-CG 3.95Å; I430-Y734 HydrophobicContact CG2-CE1 4.28Å
431	V	98.7	Very high	96.9	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.006	23%	0.228	C	C	.	.	H	α-helix	trans	-64.6	-47.3	175	176.9	0	0	0	0	109.4	E389 F425 Q428 G429 T434 F435 V475	E389-V431 HydrophobicContact CB-CG2 3.62Å; E389-V431 HydrophobicContact CG-CG2 3.53Å; F425-V431 HydrophobicContact CD2-CG1 3.71Å; F425-V431 HydrophobicContact CD2-CG2 4.48Å; F425-V431 HydrophobicContact CE2-CG1 3.67Å; F425-V431 HydrophobicContact CG-CG1 4.34Å; F425-V431 HydrophobicContact CZ-CG1 4.22Å; Q428-V431 HydrophobicContact CB-CG2 4.24Å; Q428-V431 WeakPolarHBondContact O-CB 3.35Å; Q428-V431 PolarHBondContact O-N 3.07Å; Q428-V431 VanDerWaalsContact O-N 3.1Å; G429-V431 PolarHBondContact O-N 3.28Å; V431-T434 PolarHBondContact O-N 3.22Å; V431-F435 HydrophobicContact CG1-CD2 3.89Å; V431-F435 HydrophobicContact CG1-CE2 3.73Å; V431-F435 VanDerWaalsContact O-CD2 3.29Å; V431-F435 WeakPolarHBondContact O-CD2 3.41Å; V431-F435 PolarHBondContact O-N 2.97Å; V431-V475 HydrophobicContact CG1-CG1 3.89Å; V431-V475 HydrophobicContact CG1-CG2 4.34Å
432	Y	98.2	Very high	96.7	Very high	114 Å²	114	37.9 Å²	37.9	45%	0.447	23%	0.231	S	C	.	.	H	α-helix	trans	-60.1	-48.3	173.5	169.5	-87.2	0	0	0	111.3	G429 T434 F435 H436 V478	G429-Y432 WeakPolarHBondContact O-CB 3.48Å; G429-Y432 PolarHBondContact O-N 3.45Å; G429-Y432 VanDerWaalsContact O-N 3.15Å; Y432-T434 PolarHBondContact O-N 3.14Å; Y432-F435 PolarHBondContact O-N 3.07Å; Y432-H436 HydrophobicContact CE1-CB 4.46Å; Y432-H436 WeakPolarHBondContact O-CB 3.25Å; Y432-H436 PolarHBondContact O-N 2.9Å; Y432-V478 HydrophobicContact CD2-CB 4.25Å; Y432-V478 HydrophobicContact CD2-CG1 4.16Å; Y432-V478 HydrophobicContact CD2-CG2 4.03Å; Y432-V478 HydrophobicContact CE2-CB 4.03Å; Y432-V478 HydrophobicContact CE2-CG1 4.31Å; Y432-V478 HydrophobicContact CE2-CG2 3.35Å
433	E	98.5	Very high	96.7	Very high	42 Å²	42	37.9 Å²	37.9	20%	0.196	23%	0.231	C	C	.	.	H	α-helix	trans	-58.9	-39.4	179.5	-69.6	-175.8	-140.7	0	0	111.4	G429 I430 H436 L437 S732 G735	G429-E433 PolarHBondContact O-N 2.83Å; G429-E433 VanDerWaalsContact O-N 3.09Å; I430-E433 PolarHBondContact O-N 3.04Å; E433-H436 WeakPolarHBondContact O-CB 3.17Å; E433-H436 PolarHBondContact O-N 3.38Å; E433-L437 WeakPolarHBondContact O-CG 3.11Å; E433-L437 PolarHBondContact O-N 3.02Å; E433-S732 WeakPolarHBondContact OE2-CB 3.21Å; E433-S732 PolarHBondContact OE2-OG 3.03Å; E433-G735 PolarHBondContact OE2-N 3.29Å
434	T	98.4	Very high	96.7	Very high	4 Å²	4	37.3 Å²	37.3	3%	0.025	23%	0.225	C	C	.	.	H	α-helix	trans	-69	-45.4	178.8	-55.4	0	0	0	0	112.1	D392 P393 M396 I430 V431 Y432 H436 L437	D392-T434 HydrophobicContact CB-CG2 4.13Å; P393-T434 WeakPolarHBondContact CD-OG1 3.42Å; M396-T434 HydrophobicContact CG-CG2 3.65Å; I430-T434 WeakPolarHBondContact O-CB 3.24Å; I430-T434 PolarHBondContact O-N 3.44Å; I430-T434 PolarHBondContact O-OG1 2.84Å; V431-T434 PolarHBondContact O-N 3.22Å; Y432-T434 PolarHBondContact O-N 3.14Å; T434-H436 VanDerWaalsContact C-N 3.26Å; T434-H436 PolarHBondContact O-N 3Å; T434-L437 WeakPolarHBondContact O-CB 3.31Å; T434-L437 PolarHBondContact O-N 3.45Å; T434-L437 VanDerWaalsContact O-N 3.16Å
435	F	98.1	Very high	96.7	Very high	1 Å²	1	36.8 Å²	36.8	0%	0.004	22%	0.221	C	C	.	.	H	α-helix	trans	-57.2	-43	171.4	-85.9	-62.9	0	0	0	111	F425 V431 Y432 L437 S438 H450 V475 A476 V478 V479 D511 V513	F425-F435 HydrophobicContact CE1-CE2 4.38Å; F425-F435 AromaticContact CE2-CE2 3.78Å; F425-F435 HydrophobicContact CE2-CE2 3.78Å; F425-F435 HydrophobicContact CE2-CZ 4.1Å; F425-F435 AromaticContact CZ-CE2 3.44Å; F425-F435 HydrophobicContact CZ-CE2 3.44Å; F425-F435 VanDerWaalsContact CZ-CE2 3.44Å; F425-F435 AromaticContact CZ-CZ 3.64Å; F425-F435 HydrophobicContact CZ-CZ 3.64Å; V431-F435 HydrophobicContact CG1-CD2 3.89Å; V431-F435 HydrophobicContact CG1-CE2 3.73Å; V431-F435 VanDerWaalsContact O-CD2 3.29Å; V431-F435 WeakPolarHBondContact O-CD2 3.41Å; V431-F435 PolarHBondContact O-N 2.97Å; Y432-F435 PolarHBondContact O-N 3.07Å; F435-L437 PolarHBondContact O-N 2.8Å; F435-L437 VanDerWaalsContact O-N 3.08Å; F435-S438 VanDerWaalsContact O-CB 3.23Å; F435-S438 WeakPolarHBondContact O-CB 3.25Å; F435-S438 PolarHBondContact O-N 2.72Å; F435-S438 PolarHBondContact O-OG 3Å; F435-H450 AromaticContact CE1-CD2 3.68Å; F435-H450 AromaticContact CE1-CE1 3.59Å; F435-H450 AromaticContact CE1-NE2 3.3Å; F435-H450 VanDerWaalsContact CE1-NE2 3.3Å; F435-H450 WeakPolarHBondContact CE1-NE2 3.2Å; F435-H450 AromaticContact CZ-CD2 3.82Å; F435-H450 AromaticContact CZ-CE1 3.52Å; F435-H450 AromaticContact CZ-CG 3.85Å; F435-H450 AromaticContact CZ-ND1 3.68Å; F435-H450 AromaticContact CZ-NE2 3.64Å; F435-V475 HydrophobicContact CE2-CG1 4.22Å; F435-A476 HydrophobicContact CE1-CB 4.2Å; F435-A476 HydrophobicContact CE2-CB 4.14Å; F435-A476 HydrophobicContact CZ-CB 3.82Å; F435-V478 HydrophobicContact CB-CG1 3.96Å; F435-V479 HydrophobicContact CB-CG1 4.26Å; F435-V479 HydrophobicContact CB-CG2 4.29Å; F435-V479 HydrophobicContact CD1-CG2 3.69Å; F435-V479 HydrophobicContact CE1-CG2 4.44Å; F435-V479 HydrophobicContact CG-CG2 4.29Å; F435-V479 VanDerWaalsContact O-CG1 3.27Å; F435-V479 WeakPolarHBondContact O-CG1 3.3Å; F435-D511 HydrophobicContact CD1-CB 4.39Å; F435-D511 VanDerWaalsContact CD1-OD2 3.24Å; F435-D511 WeakPolarHBondContact CD1-OD2 3.28Å; F435-D511 HydrophobicContact CE1-CB 4.08Å; F435-D511 WeakPolarHBondContact CE1-OD2 3.49Å; F435-V513 HydrophobicContact CZ-CG2 4.23Å
436	H	96.1	Very high	96.6	Very high	78 Å²	78	38.6 Å²	38.6	36%	0.361	23%	0.229	S	C	.	.	H	α-helix	trans	-60.4	-23.5	-178.9	-170.3	65	0	0	0	113.4	Y432 E433 T434	Y432-H436 HydrophobicContact CE1-CB 4.46Å; Y432-H436 WeakPolarHBondContact O-CB 3.25Å; Y432-H436 PolarHBondContact O-N 2.9Å; E433-H436 WeakPolarHBondContact O-CB 3.17Å; E433-H436 PolarHBondContact O-N 3.38Å; T434-H436 VanDerWaalsContact C-N 3.26Å; T434-H436 PolarHBondContact O-N 3Å
437	L	96.6	Very high	96.5	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-80.4	-16.4	175	-62.7	178.7	0	0	0	113.9	E433 T434 F435 D439 L440 Y443 S730 V736 F739	E433-L437 WeakPolarHBondContact O-CG 3.11Å; E433-L437 PolarHBondContact O-N 3.02Å; T434-L437 WeakPolarHBondContact O-CB 3.31Å; T434-L437 PolarHBondContact O-N 3.45Å; T434-L437 VanDerWaalsContact O-N 3.16Å; F435-L437 PolarHBondContact O-N 2.8Å; F435-L437 VanDerWaalsContact O-N 3.08Å; L437-D439 VanDerWaalsContact C-N 3.28Å; L437-D439 PolarHBondContact O-N 2.96Å; L437-D439 VanDerWaalsContact O-N 3.16Å; L437-L440 HydrophobicContact CD2-CD1 3.85Å; L437-L440 PolarHBondContact O-N 3.4Å; L437-Y443 HydrophobicContact CD1-CD1 4.48Å; L437-Y443 HydrophobicContact CD2-CD1 4.2Å; L437-Y443 HydrophobicContact CD2-CD2 4.41Å; L437-Y443 HydrophobicContact CD2-CG 4.05Å; L437-S730 WeakPolarHBondContact CD2-OG 3.36Å; L437-V736 HydrophobicContact CD2-CG2 4.18Å; L437-F739 HydrophobicContact CD1-CB 4.39Å; L437-F739 HydrophobicContact CD1-CD2 4.24Å
438	S	92.9	Very high	96.5	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.007	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-32.8	-165.2	74.9	0	0	0	0	114.3	F435 T444	F435-S438 VanDerWaalsContact O-CB 3.23Å; F435-S438 WeakPolarHBondContact O-CB 3.25Å; F435-S438 PolarHBondContact O-N 2.72Å; F435-S438 PolarHBondContact O-OG 3Å; S438-T444 WeakPolarHBondContact O-CA 3.45Å; S438-T444 WeakPolarHBondContact O-CB 3.39Å; S438-T444 PolarHBondContact O-OG1 3.07Å
439	D	91.6	Very high	96.6	Very high	84 Å²	84	30.2 Å²	30.2	45%	0.449	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.8	3.1	-177.2	-78.8	-5.2	0	0	0	113.1	L437	L437-D439 VanDerWaalsContact C-N 3.28Å; L437-D439 PolarHBondContact O-N 2.96Å; L437-D439 VanDerWaalsContact O-N 3.16Å
440	L	95.5	Very high	96.6	Very high	50 Å²	50	28.1 Å²	28.1	26%	0.262	15%	0.147	S	C	.	.	S	Bend	trans	-75.6	131.2	177.8	-60.7	-177.4	0	0	0	110.3	L437 S442 Y443 T444	L437-L440 HydrophobicContact CD2-CD1 3.85Å; L437-L440 PolarHBondContact O-N 3.4Å; L440-S442 VanDerWaalsContact C-N 3.29Å; L440-S442 PolarHBondContact O-N 2.86Å; L440-Y443 HydrophobicContact CB-CD2 3.91Å; L440-Y443 HydrophobicContact CD1-CD2 4.3Å; L440-Y443 PolarHBondContact O-N 2.84Å; L440-T444 WeakPolarHBondContact O-CB 3.45Å; L440-T444 PolarHBondContact O-N 2.86Å
441	P	92	Very high	96.6	Very high	113 Å²	113	28.1 Å²	28.1	73%	0.734	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53	-38.4	-168.5	-30.7	35.1	0	0	0	115.9
442	S	94	Very high	96.6	Very high	40 Å²	40	28.1 Å²	28.1	28%	0.28	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-3.1	-177.5	-55.3	0	0	0	0	114.5	L440 R683 C727	L440-S442 VanDerWaalsContact C-N 3.29Å; L440-S442 PolarHBondContact O-N 2.86Å; S442-R683 PolarHBondContact O-NH1 2.63Å; S442-R683 PolarHBondContact O-NH2 3.4Å; S442-C727 WeakPolarHBondContact OG-CB 3.42Å
443	Y	97.5	Very high	96.6	Very high	3 Å²	3	22.9 Å²	22.9	1%	0.012	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.5	-23.9	-175.1	-59	-86.9	0	0	0	113.5	L437 L440 T445 S685 S729 V736 F739	L437-Y443 HydrophobicContact CD1-CD1 4.48Å; L437-Y443 HydrophobicContact CD2-CD1 4.2Å; L437-Y443 HydrophobicContact CD2-CD2 4.41Å; L437-Y443 HydrophobicContact CD2-CG 4.05Å; L440-Y443 HydrophobicContact CB-CD2 3.91Å; L440-Y443 HydrophobicContact CD1-CD2 4.3Å; L440-Y443 PolarHBondContact O-N 2.84Å; Y443-T445 PolarHBondContact O-N 3.36Å; Y443-S685 PolarHBondContact OH-OG 3.26Å; Y443-S729 WeakPolarHBondContact OH-CA 3.44Å; Y443-S729 WeakPolarHBondContact OH-CB 3.44Å; Y443-V736 HydrophobicContact CE1-CG1 4.2Å; Y443-F739 AromaticContact CD1-CD1 3.84Å; Y443-F739 HydrophobicContact CD1-CD1 3.84Å; Y443-F739 HydrophobicContact CD1-CD2 4.25Å; Y443-F739 AromaticContact CD1-CE1 3.87Å; Y443-F739 HydrophobicContact CD1-CE1 3.87Å; Y443-F739 HydrophobicContact CD1-CE2 4.27Å; Y443-F739 HydrophobicContact CD1-CG 4.03Å; Y443-F739 HydrophobicContact CD1-CZ 4.07Å; Y443-F739 HydrophobicContact CE1-CD1 4.25Å; Y443-F739 VanDerWaalsContact O-CE2 3.24Å; Y443-F739 WeakPolarHBondContact O-CE2 3.34Å; Y443-F739 WeakPolarHBondContact O-CZ 3.27Å
444	T	96.9	Very high	96.6	Very high	16 Å²	16	21.3 Å²	21.3	10%	0.098	12%	0.12	C	C	.	.			trans	-54.4	131	-178.3	-178	0	0	0	0	111.6	K400 S438 L440 H446	K400-T444 WeakPolarHBondContact CD-O 3.47Å; K400-T444 WeakPolarHBondContact CE-O 3.36Å; K400-T444 PolarHBondContact NZ-O 2.89Å; S438-T444 WeakPolarHBondContact O-CA 3.45Å; S438-T444 WeakPolarHBondContact O-CB 3.39Å; S438-T444 PolarHBondContact O-OG1 3.07Å; L440-T444 WeakPolarHBondContact O-CB 3.45Å; L440-T444 PolarHBondContact O-N 2.86Å; T444-H446 PolarHBondContact OG1-N 3.07Å; T444-H446 VanDerWaalsContact OG1-N 3.13Å
445	T	96.8	Very high	96.5	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.121	C	C	.	.			trans	-102.2	14.3	171.3	59	0	0	0	0	111.6	M396 T399 K400 Q403 Y443 R505	M396-T445 HydrophobicContact CB-CG2 4.33Å; M396-T445 HydrophobicContact CE-CG2 3.87Å; M396-T445 WeakPolarHBondContact CE-OG1 3.39Å; M396-T445 VanDerWaalsContact O-CG2 3.27Å; M396-T445 WeakPolarHBondContact O-CG2 3.19Å; M396-T445 HydrophobicContact SD-CG2 4.19Å; T399-T445 HydrophobicContact CG2-CG2 3.96Å; K400-T445 HydrophobicContact CB-CG2 4.22Å; Q403-T445 PolarHBondContact NE2-O 2.94Å; Y443-T445 PolarHBondContact O-N 3.36Å; T445-R505 PolarHBondContact O-NH2 3.31Å
446	H	96.4	Very high	96.4	Very high	38 Å²	38	22.6 Å²	22.6	18%	0.176	13%	0.126	C	C	.	.	S	Bend	trans	58.5	45.6	-178.9	-59	-78.4	0	0	0	112.9	T409 G411 T444 R505 H509	T409-H446 PolarHBondContact O-NE2 2.81Å; G411-H446 PolarHBondContact N-CD2 3.13Å; T444-H446 PolarHBondContact OG1-N 3.07Å; T444-H446 VanDerWaalsContact OG1-N 3.13Å; H446-R505 PolarHBondContact O-NE 2.73Å; H446-H509 VanDerWaalsContact C-C 3.46Å; H446-H509 CarbonylContact C-O 3.52Å; H446-H509 WeakPolarHBondContact CA-O 3.47Å; H446-H509 HydrophobicContact CB-CB 3.97Å; H446-H509 CarbonylContact O-C 3.55Å; H446-H509 WeakPolarHBondContact O-CA 3.33Å
447	G	95.9	Very high	96.4	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.109	C	C	.	.			trans	88.3	131.8	173.7	0	0	0	0	0	114.7	R505 H509 D511	G447-R505 WeakPolarHBondContact O-CG 3.35Å; G447-R505 PolarHBondContact O-NE 2.79Å; G447-H509 PolarHBondContact N-O 2.95Å; G447-D511 VanDerWaalsContact CA-OD1 3.24Å; G447-D511 WeakPolarHBondContact CA-OD1 3.11Å
448	T	98.4	Very high	96.3	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	141.1	174.8	-58.7	0	0	0	0	111.1	M396 S416 L418 H450 D511 V512	M396-T448 WeakPolarHBondContact CE-OG1 3.22Å; M396-T448 HydrophobicContact SD-CG2 4.46Å; M396-T448 PolarHBondContact SD-OG1 2.98Å; S416-T448 PolarHBondContact OG-OG1 2.95Å; L418-T448 HydrophobicContact CB-CG2 4.21Å; L418-T448 HydrophobicContact CD1-CG2 4.01Å; L418-T448 HydrophobicContact CG-CG2 3.9Å; T448-H450 WeakPolarHBondContact CB-NE2 3.4Å; T448-H450 PolarHBondContact O-CD2 3Å; T448-D511 PolarHBondContact N-OD1 3.24Å; T448-D511 VanDerWaalsContact O-CA 3.29Å; T448-D511 WeakPolarHBondContact O-CA 3.39Å; T448-V512 PolarHBondContact O-N 3.04Å
449	V	98.8	Very high	96.4	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	113.2	169	-177.7	0	0	0	0	108.6	I304 M415 S416 I417 L418 V451 A501 R505 V512	I304-V449 HydrophobicContact CD1-CG1 3.83Å; I304-V449 HydrophobicContact CG1-CG1 4.44Å; I304-V449 HydrophobicContact CG2-CB 4.4Å; I304-V449 HydrophobicContact CG2-CG1 4.22Å; I304-V449 HydrophobicContact CG2-CG2 4.29Å; M415-V449 HydrophobicContact CE-CB 4.35Å; M415-V449 HydrophobicContact CE-CG2 3.63Å; S416-V449 PolarHBondContact O-N 2.84Å; I417-V449 VanDerWaalsContact CA-O 3.3Å; I417-V449 WeakPolarHBondContact CA-O 3.47Å; I417-V449 HydrophobicContact CG1-CB 4.44Å; I417-V449 WeakPolarHBondContact CG2-O 3.38Å; L418-V449 PolarHBondContact N-O 2.62Å; V449-V451 HydrophobicContact CG1-CG2 4.42Å; V449-A501 HydrophobicContact CG1-CB 4.32Å; V449-R505 HydrophobicContact CG2-CB 4Å; V449-R505 HydrophobicContact CG2-CG 4.23Å; V449-V512 HydrophobicContact CB-CG1 4.4Å; V449-V512 HydrophobicContact CG1-CG1 4.36Å; V449-V512 HydrophobicContact CG2-CG1 3.97Å
450	H	98.9	Very high	96.6	Very high	4 Å²	4	23.1 Å²	23.1	2%	0.019	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	131.5	177.4	-61.6	-98.9	0	0	0	109.9	L418 H420 F435 T448 D511 V512 V513 V514	L418-H450 CarbonylContact O-C 3.59Å; L418-H450 WeakPolarHBondContact O-CA 3.42Å; H420-H450 AromaticContact CE1-ND1 3.84Å; H420-H450 AromaticContact NE2-CG 3.8Å; H420-H450 AromaticContact NE2-ND1 2.99Å; H420-H450 PolarHBondContact NE2-ND1 3.45Å; F435-H450 AromaticContact CE1-CD2 3.68Å; F435-H450 AromaticContact CE1-CE1 3.59Å; F435-H450 AromaticContact CE1-NE2 3.3Å; F435-H450 VanDerWaalsContact CE1-NE2 3.3Å; F435-H450 WeakPolarHBondContact CE1-NE2 3.2Å; F435-H450 AromaticContact CZ-CD2 3.82Å; F435-H450 AromaticContact CZ-CE1 3.52Å; F435-H450 AromaticContact CZ-CG 3.85Å; F435-H450 AromaticContact CZ-ND1 3.68Å; F435-H450 AromaticContact CZ-NE2 3.64Å; T448-H450 WeakPolarHBondContact CB-NE2 3.4Å; T448-H450 PolarHBondContact O-CD2 3Å; H450-D511 IonicContact NE2-OD2 3.95Å; H450-D511 PolarHBondContact NE2-OD2 3.22Å; H450-V512 PolarHBondContact N-O 3.49Å; H450-V513 HydrophobicContact CB-CB 4.45Å; H450-V513 HydrophobicContact CB-CG1 4.34Å; H450-V513 HydrophobicContact CB-CG2 4.11Å; H450-V514 PolarHBondContact O-N 3.5Å
451	V	98.9	Very high	96.5	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.006	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	109.8	177.3	-176.8	0	0	0	0	108.9	L297 L301 I304 I417 L418 L419 H420 V449 V514 L516	L297-V451 HydrophobicContact CD1-CG1 3.78Å; L301-V451 HydrophobicContact CD2-CG2 4.33Å; I304-V451 HydrophobicContact CD1-CG2 3.84Å; I417-V451 HydrophobicContact CG2-CG2 4.34Å; L418-V451 PolarHBondContact O-N 3.5Å; L419-V451 CarbonylContact C-O 3.11Å; L419-V451 VanDerWaalsContact CA-O 3.29Å; L419-V451 WeakPolarHBondContact CA-O 3.46Å; L419-V451 HydrophobicContact CG-CB 4.37Å; H420-V451 PolarHBondContact N-O 3.46Å; V449-V451 HydrophobicContact CG1-CG2 4.42Å; V451-V514 WeakPolarHBondContact CA-O 3.42Å; V451-L516 HydrophobicContact CG1-CD1 3.59Å; V451-L516 HydrophobicContact CG1-CG 3.98Å
452	V	98.8	Very high	96.3	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	118.2	179.5	-175.2	0	0	0	0	109.1	H420 D422 F425 N454 T473 V513 V514 L516	H420-V452 HydrophobicContact CB-CG2 4.31Å; D422-V452 HydrophobicContact CB-CG1 4.38Å; F425-V452 HydrophobicContact CD1-CG2 3.99Å; F425-V452 HydrophobicContact CD2-CG2 4.21Å; F425-V452 HydrophobicContact CE1-CG2 4.12Å; F425-V452 HydrophobicContact CE2-CG2 4.3Å; F425-V452 HydrophobicContact CG-CG2 4.02Å; F425-V452 HydrophobicContact CZ-CG2 4.24Å; V452-N454 VanDerWaalsContact C-N 3.28Å; V452-N454 HydrophobicContact CG1-CB 4.27Å; V452-N454 PolarHBondContact O-N 3.14Å; V452-T473 HydrophobicContact CB-CG2 4.35Å; V452-T473 HydrophobicContact CG2-CG2 3.91Å; V452-V513 HydrophobicContact CG2-CG1 3.97Å; V452-V514 PolarHBondContact N-O 2.79Å; V452-L516 WeakPolarHBondContact O-CB 3.17Å; V452-L516 PolarHBondContact O-N 3.32Å
453	V	98.6	Very high	96	Very high	4 Å²	4	19.9 Å²	19.9	2%	0.024	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	78.6	173.3	-175.6	0	0	0	0	108.4	C294 L297 R323 H420 N455	C294-V453 HydrophobicContact CB-CG1 4.15Å; L297-V453 HydrophobicContact CD1-CG2 4.25Å; L297-V453 HydrophobicContact CD2-CG2 4.01Å; R323-V453 HydrophobicContact CG-CG1 4Å; H420-V453 PolarHBondContact O-N 3.18Å; V453-N455 VanDerWaalsContact C-N 3.35Å; V453-N455 PolarHBondContact O-N 2.81Å; V453-N455 PolarHBondContact O-ND2 3.4Å
454	N	98	Very high	95.3	Very high	9 Å²	9	28.5 Å²	28.5	5%	0.048	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	82.2	-175.3	179.6	5.1	0	0	0	111.2	D422 V452 Q456 D515 L516 C518	D422-N454 HydrophobicContact CB-CB 4.06Å; V452-N454 VanDerWaalsContact C-N 3.28Å; V452-N454 HydrophobicContact CG1-CB 4.27Å; V452-N454 PolarHBondContact O-N 3.14Å; N454-Q456 PolarHBondContact O-N 2.92Å; N454-Q456 PolarHBondContact OD1-N 3.23Å; N454-D515 WeakPolarHBondContact CB-OD1 3.35Å; N454-D515 PolarHBondContact ND2-OD1 3.49Å; N454-D515 PolarHBondContact ND2-OD2 2.9Å; N454-L516 PolarHBondContact N-O 2.65Å; N454-C518 PolarHBondContact O-N 3.46Å; N454-C518 PolarHBondContact O-SG 3.18Å
455	N	96.8	Very high	94.9	Very high	10 Å²	10	34.8 Å²	34.8	5%	0.053	17%	0.172	C	C	.	.			trans	-86.6	9.6	-179.9	62.1	98.4	0	0	0	112.5	R323 D422 V453 I457 C518 R520 M537	R323-N455 PolarHBondContact NH1-ND2 2.95Å; R323-N455 PolarHBondContact NH1-OD1 3.49Å; D422-N455 PolarHBondContact OD1-N 2.92Å; D422-N455 PolarHBondContact OD1-ND2 3.03Å; V453-N455 VanDerWaalsContact C-N 3.35Å; V453-N455 PolarHBondContact O-N 2.81Å; V453-N455 PolarHBondContact O-ND2 3.4Å; N455-I457 VanDerWaalsContact C-N 3.27Å; N455-I457 PolarHBondContact O-N 3.46Å; N455-I457 VanDerWaalsContact OD1-CG2 3.22Å; N455-I457 WeakPolarHBondContact OD1-CG2 3.48Å; N455-I457 PolarHBondContact OD1-O 2.98Å; N455-I457 VanDerWaalsContact OD1-O 3.12Å; N455-C518 VanDerWaalsContact CA-SG 3.52Å; N455-C518 PolarHBondContact N-SG 2.86Å; N455-R520 HydrophobicContact CB-CB 4.28Å; N455-M537 WeakPolarHBondContact O-CE 3.33Å
456	Q	95.4	Very high	94.5	Very high	23 Å²	23	36.1 Å²	36.1	11%	0.107	18%	0.183	C	C	.	.	S	Bend	trans	63.6	27.6	173.6	-49.3	175.2	63.1	0	0	113.5	D148 N454 P463 C518 M537	D148-Q456 PolarHBondContact OD1-NE2 3.36Å; D148-Q456 PolarHBondContact OD1-OE1 2.85Å; N454-Q456 PolarHBondContact O-N 2.92Å; N454-Q456 PolarHBondContact OD1-N 3.23Å; Q456-P463 HydrophobicContact CB-CG 4.13Å; Q456-P463 WeakPolarHBondContact O-CD 3.36Å; Q456-P463 VanDerWaalsContact O-CG 3.26Å; Q456-P463 WeakPolarHBondContact O-CG 3.35Å; Q456-C518 PolarHBondContact NE2-O 2.86Å; Q456-M537 HydrophobicContact CB-CE 4.04Å
457	I	94.8	Very high	94.3	Very high	3 Å²	3	37 Å²	37	2%	0.015	19%	0.185	C	C	.	.			trans	-164.3	127.1	179.1	-172.8	175.9	0	0	0	112.4	D422 N455 F459 Q534 M537 Y538	D422-I457 PolarHBondContact OD2-N 3.19Å; N455-I457 VanDerWaalsContact C-N 3.27Å; N455-I457 PolarHBondContact O-N 3.46Å; N455-I457 VanDerWaalsContact OD1-CG2 3.22Å; N455-I457 WeakPolarHBondContact OD1-CG2 3.48Å; N455-I457 PolarHBondContact OD1-O 2.98Å; N455-I457 VanDerWaalsContact OD1-O 3.12Å; I457-F459 VanDerWaalsContact CD1-O 3.23Å; I457-F459 WeakPolarHBondContact CD1-O 3.39Å; I457-F459 WeakPolarHBondContact CG1-O 3.23Å; I457-Q534 HydrophobicContact CD1-CB 4.45Å; I457-Q534 HydrophobicContact CD1-CG 3.79Å; I457-Q534 VanDerWaalsContact CD1-OE1 3.3Å; I457-M537 HydrophobicContact CB-CE 4.39Å; I457-M537 HydrophobicContact CG2-CE 4.17Å; I457-Y538 HydrophobicContact CD1-CE2 4.44Å
458	G	94.6	Very high	94	Very high	17 Å²	17	43.5 Å²	43.5	18%	0.175	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-100.1	101.4	170.8	0	0	0	0	0	111.3	T460 T461	G458-T460 PolarHBondContact O-N 3.39Å; G458-T461 PolarHBondContact N-O 3.19Å; G458-T461 WeakPolarHBondContact O-CB 3.16Å; G458-T461 PolarHBondContact O-N 3.12Å
459	F	95.8	Very high	93.6	Very high	100 Å²	100	45.8 Å²	45.8	44%	0.439	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	56	-94.4	-169.8	-161.6	-80.5	0	0	0	111.3	I457 R520 H524	I457-F459 VanDerWaalsContact CD1-O 3.23Å; I457-F459 WeakPolarHBondContact CD1-O 3.39Å; I457-F459 WeakPolarHBondContact CG1-O 3.23Å; F459-R520 PolarHBondContact O-NH2 3.05Å; F459-H524 HydrophobicContact CD2-CB 3.83Å; F459-H524 AromaticContact CD2-CD2 3.13Å; F459-H524 WeakPolarHBondContact CD2-CD2 3.41Å; F459-H524 AromaticContact CD2-CG 3.4Å; F459-H524 VanDerWaalsContact CD2-CG 3.4Å; F459-H524 AromaticContact CD2-NE2 3.72Å; F459-H524 HydrophobicContact CE2-CB 4.05Å; F459-H524 AromaticContact CE2-CD2 3.33Å; F459-H524 WeakPolarHBondContact CE2-CD2 3.41Å; F459-H524 AromaticContact CE2-CG 3.85Å; F459-H524 HydrophobicContact CG-CB 4.17Å
460	T	95.6	Very high	93	Very high	55 Å²	55	48.3 Å²	48.3	34%	0.337	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.5	3.7	176.4	55.5	0	0	0	0	112.9	G458 T533 Q534	G458-T460 PolarHBondContact O-N 3.39Å; T460-T533 HydrophobicContact CG2-CG2 4.17Å; T460-Q534 PolarHBondContact O-NE2 3.49Å
461	T	92.8	Very high	92.7	Very high	59 Å²	59	49.3 Å²	49.3	36%	0.362	27%	0.267	S	S	.	.	B	Isolated β-bridge	trans	-95	124.5	-173.8	-55.5	0	0	0	0	110.5	G458 M465 A466	G458-T461 PolarHBondContact N-O 3.19Å; G458-T461 WeakPolarHBondContact O-CB 3.16Å; G458-T461 PolarHBondContact O-N 3.12Å; T461-M465 HydrophobicContact CG2-CB 3.81Å; T461-A466 HydrophobicContact CG2-CB 4.23Å
462	D	87.9	Confident	92.6	Very high	54 Å²	54	49.3 Å²	49.3	29%	0.289	27%	0.267	S	S	.	.			trans	-69.8	145.8	175.5	-173.1	-73	0	0	0	110.9	R464 M465 A466	D462-R464 HydrophobicContact CB-CG 4.2Å; D462-R464 PolarHBondContact O-N 3.35Å; D462-R464 WeakPolarHBondContact OD1-CB 3.37Å; D462-R464 WeakPolarHBondContact OD1-CG 3.47Å; D462-R464 IonicContact OD1-CZ 3.69Å; D462-R464 PolarHBondContact OD1-N 2.95Å; D462-R464 IonicContact OD1-NE 2.74Å; D462-R464 PolarHBondContact OD1-NE 3.43Å; D462-R464 IonicContact OD2-NE 2.68Å; D462-M465 PolarHBondContact O-N 3.43Å; D462-A466 PolarHBondContact O-N 2.65Å
463	P	87.7	Confident	92.5	Very high	22 Å²	22	49.3 Å²	49.3	14%	0.143	27%	0.267	C	S	.	.	H	α-helix	trans	-41.5	-41	173.3	-37.8	40.3	0	0	0	114.8	Q456 M465 A466	Q456-P463 HydrophobicContact CB-CG 4.13Å; Q456-P463 WeakPolarHBondContact O-CD 3.36Å; Q456-P463 VanDerWaalsContact O-CG 3.26Å; Q456-P463 WeakPolarHBondContact O-CG 3.35Å; P463-M465 PolarHBondContact O-N 2.85Å; P463-A466 PolarHBondContact O-N 3.37Å; P463-A466 VanDerWaalsContact O-N 3.12Å
464	R	83.8	Confident	92.4	Very high	184 Å²	184	50.2 Å²	50.2	69%	0.694	27%	0.271	S	S	*	.	H	α-helix	trans	-65.3	-17.8	-179.4	77.3	-170.6	64.6	-157.5	-5.8	114.3	D462	D462-R464 HydrophobicContact CB-CG 4.2Å; D462-R464 PolarHBondContact O-N 3.35Å; D462-R464 WeakPolarHBondContact OD1-CB 3.37Å; D462-R464 WeakPolarHBondContact OD1-CG 3.47Å; D462-R464 IonicContact OD1-CZ 3.69Å; D462-R464 PolarHBondContact OD1-N 2.95Å; D462-R464 IonicContact OD1-NE 2.74Å; D462-R464 PolarHBondContact OD1-NE 3.43Å; D462-R464 IonicContact OD2-NE 2.68Å
465	M	87.8	Confident	92.4	Very high	148 Å²	148	51.4 Å²	51.4	73%	0.729	28%	0.279	S	S	*	.	H	α-helix	trans	-109.2	-6.8	178.2	-55.7	-59.9	-73.7	0	0	112.2	T461 D462 P463	T461-M465 HydrophobicContact CG2-CB 3.81Å; D462-M465 PolarHBondContact O-N 3.43Å; P463-M465 PolarHBondContact O-N 2.85Å
466	A	88.6	Confident	92.4	Very high	28 Å²	28	51 Å²	51	23%	0.231	28%	0.277	C	S	.	.	H	α-helix	trans	-94	-18.5	-174.4	0	0	0	0	0	113.5	T461 D462 P463	T461-A466 HydrophobicContact CG2-CB 4.23Å; D462-A466 PolarHBondContact O-N 2.65Å; P463-A466 PolarHBondContact O-N 3.37Å; P463-A466 VanDerWaalsContact O-N 3.12Å
467	R	91.6	Very high	92.4	Very high	55 Å²	55	54 Å²	54	21%	0.208	29%	0.287	C	S	.	.			trans	-155.8	167.1	-174.1	61.8	178.5	-179.3	-86.6	1.6	112.4	A426 S469 P470	A426-R467 HydrophobicContact CB-CB 4.06Å; R467-S469 VanDerWaalsContact CD-O 3.25Å; R467-S469 WeakPolarHBondContact CD-O 3.27Å; R467-S469 WeakPolarHBondContact CG-O 3.25Å; R467-S469 PolarHBondContact NE-O 3.29Å; R467-P470 PolarHBondContact NE-O 3.38Å; R467-P470 PolarHBondContact NH2-O 3.07Å
468	S	91.5	Very high	92.4	Very high	138 Å²	138	56.8 Å²	56.8	97%	0.965	30%	0.304	S	S	*	.	S	Bend	trans	-107.1	14.1	-179.9	-60.1	0	0	0	0	114
469	S	89.9	Confident	92.4	Very high	47 Å²	47	57.2 Å²	57.2	33%	0.329	30%	0.303	S	S	.	.	S	Bend	trans	-137.7	161.4	-178.3	72.4	0	0	0	0	111.2	R467 Y471 D474	R467-S469 VanDerWaalsContact CD-O 3.25Å; R467-S469 WeakPolarHBondContact CD-O 3.27Å; R467-S469 WeakPolarHBondContact CG-O 3.25Å; R467-S469 PolarHBondContact NE-O 3.29Å; S469-Y471 PolarHBondContact O-N 3.27Å; S469-Y471 PolarHBondContact OG-O 2.83Å; S469-Y471 VanDerWaalsContact OG-O 3.06Å; S469-D474 WeakPolarHBondContact CB-OD2 3.29Å; S469-D474 WeakPolarHBondContact OG-CB 3.4Å; S469-D474 PolarHBondContact OG-OD2 3.2Å
470	P	85.1	Confident	92.4	Very high	54 Å²	54	55 Å²	55	35%	0.351	30%	0.296	S	S	.	.	S	Bend	trans	-53.9	-46.3	-178.2	-32.3	40.1	0	0	0	114.2	F157 R467	F157-P470 HydrophobicContact CD1-CG 4.35Å; F157-P470 HydrophobicContact CE1-CB 3.55Å; F157-P470 HydrophobicContact CE1-CG 3.75Å; F157-P470 HydrophobicContact CZ-CB 3.89Å; F157-P470 HydrophobicContact CZ-CG 4.18Å; R467-P470 PolarHBondContact NE-O 3.38Å; R467-P470 PolarHBondContact NH2-O 3.07Å
471	Y	93.8	Very high	92.5	Very high	25 Å²	25	52.6 Å²	52.6	10%	0.098	28%	0.281	C	S	.	.	S	Bend	trans	-113.4	145	-174.2	-58.4	-72.8	0	0	0	111.1	H142 L147 E232 S469 T473 D474 H485	H142-Y471 AromaticContact CE1-CE2 3.61Å; H142-Y471 AromaticContact ND1-CE2 3.35Å; H142-Y471 WeakPolarHBondContact ND1-CE2 3.46Å; H142-Y471 AromaticContact ND1-CZ 3.55Å; H142-Y471 PolarHBondContact ND1-OH 3.28Å; H142-Y471 VanDerWaalsContact ND1-OH 3.11Å; H142-Y471 PolarHBondContact O-OH 2.97Å; L147-Y471 HydrophobicContact CD1-CE1 4.43Å; E232-Y471 WeakPolarHBondContact OE1-CD2 3.49Å; E232-Y471 VanDerWaalsContact OE1-CE2 3.27Å; E232-Y471 WeakPolarHBondContact OE1-CE2 3.26Å; S469-Y471 PolarHBondContact O-N 3.27Å; S469-Y471 PolarHBondContact OG-O 2.83Å; S469-Y471 VanDerWaalsContact OG-O 3.06Å; Y471-T473 WeakPolarHBondContact CB-OG1 3.37Å; Y471-T473 PolarHBondContact O-N 3.46Å; Y471-T473 VanDerWaalsContact O-N 3.15Å; Y471-D474 PolarHBondContact N-OD2 3.17Å; Y471-D474 PolarHBondContact O-N 3.26Å; Y471-D474 VanDerWaalsContact O-OD2 3.09Å; Y471-H485 AromaticContact CD1-CE1 3.55Å; Y471-H485 AromaticContact CD1-ND1 3.81Å; Y471-H485 AromaticContact CG-CE1 3.53Å
472	P	95.8	Very high	92.8	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.006	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-61.3	-22.6	172.9	27.7	-33.4	0	0	0	111.5	D422 F425 A426 D474	D422-P472 HydrophobicContact CB-CB 3.91Å; D422-P472 HydrophobicContact CB-CG 3.94Å; D422-P472 WeakPolarHBondContact O-CB 3.35Å; F425-P472 WeakPolarHBondContact CD1-O 3.37Å; A426-P472 HydrophobicContact CB-CB 4.31Å; P472-D474 VanDerWaalsContact C-N 3.34Å; P472-D474 PolarHBondContact O-N 2.99Å
473	T	97.9	Very high	93.3	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-82	-2.7	-174.7	50	0	0	0	0	115.7	F425 V452 Y471 V475 A476 I483 H485 V513 D515	F425-T473 HydrophobicContact CD1-CG2 4.41Å; F425-T473 HydrophobicContact CE1-CG2 4.19Å; V452-T473 HydrophobicContact CB-CG2 4.35Å; V452-T473 HydrophobicContact CG2-CG2 3.91Å; Y471-T473 WeakPolarHBondContact CB-OG1 3.37Å; Y471-T473 PolarHBondContact O-N 3.46Å; Y471-T473 VanDerWaalsContact O-N 3.15Å; T473-V475 PolarHBondContact O-N 3.27Å; T473-V475 VanDerWaalsContact O-N 3.07Å; T473-A476 WeakPolarHBondContact O-CB 3.21Å; T473-A476 PolarHBondContact O-N 3.27Å; T473-I483 HydrophobicContact CG2-CG2 4.22Å; T473-I483 WeakPolarHBondContact O-CD1 3.43Å; T473-I483 WeakPolarHBondContact OG1-CG2 3.43Å; T473-H485 PolarHBondContact OG1-CE1 3.15Å; T473-V513 HydrophobicContact CG2-CG1 3.59Å; T473-D515 HydrophobicContact CG2-CB 3.87Å
474	D	96.5	Very high	93.8	Very high	22 Å²	22	46.1 Å²	46.1	12%	0.118	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-64	-18.6	-173.3	-70.8	-35.6	0	0	0	113.9	S469 Y471 P472 A476 R477	S469-D474 WeakPolarHBondContact CB-OD2 3.29Å; S469-D474 WeakPolarHBondContact OG-CB 3.4Å; S469-D474 PolarHBondContact OG-OD2 3.2Å; Y471-D474 PolarHBondContact N-OD2 3.17Å; Y471-D474 PolarHBondContact O-N 3.26Å; Y471-D474 VanDerWaalsContact O-OD2 3.09Å; P472-D474 VanDerWaalsContact C-N 3.34Å; P472-D474 PolarHBondContact O-N 2.99Å; D474-A476 PolarHBondContact O-N 3.07Å; D474-R477 WeakPolarHBondContact O-CB 3.3Å; D474-R477 WeakPolarHBondContact O-CG 3.35Å; D474-R477 PolarHBondContact O-N 2.76Å; D474-R477 IonicContact OD1-CZ 3.09Å; D474-R477 IonicContact OD1-NE 3.41Å; D474-R477 PolarHBondContact OD1-NE 3.15Å; D474-R477 IonicContact OD1-NH2 2.76Å; D474-R477 PolarHBondContact OD1-NH2 3.1Å
475	V	96.5	Very high	94.5	Very high	35 Å²	35	37.4 Å²	37.4	21%	0.212	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-57.4	-32.6	171.7	65.9	0	0	0	0	112.4	F425 V431 F435 T473 R477 V478	F425-V475 HydrophobicContact CD1-CG1 3.67Å; F425-V475 HydrophobicContact CE1-CG1 3.33Å; F425-V475 HydrophobicContact CG-CG1 4.43Å; F425-V475 HydrophobicContact CZ-CG1 3.88Å; V431-V475 HydrophobicContact CG1-CG1 3.89Å; V431-V475 HydrophobicContact CG1-CG2 4.34Å; F435-V475 HydrophobicContact CE2-CG1 4.22Å; T473-V475 PolarHBondContact O-N 3.27Å; T473-V475 VanDerWaalsContact O-N 3.07Å; V475-R477 PolarHBondContact O-N 3.05Å; V475-V478 WeakPolarHBondContact O-CG1 3.45Å; V475-V478 PolarHBondContact O-N 3.02Å
476	A	97.3	Very high	95	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-69.1	-16.2	-178.5	0	0	0	0	0	113.6	F435 T473 D474 V478 V479 A481 I483 V513	F435-A476 HydrophobicContact CE1-CB 4.2Å; F435-A476 HydrophobicContact CE2-CB 4.14Å; F435-A476 HydrophobicContact CZ-CB 3.82Å; T473-A476 WeakPolarHBondContact O-CB 3.21Å; T473-A476 PolarHBondContact O-N 3.27Å; D474-A476 PolarHBondContact O-N 3.07Å; A476-V478 PolarHBondContact O-N 3.13Å; A476-V479 WeakPolarHBondContact O-CG2 3.4Å; A476-V479 PolarHBondContact O-N 3.18Å; A476-A481 HydrophobicContact CB-CB 4.28Å; A476-A481 PolarHBondContact O-N 3.27Å; A476-I483 HydrophobicContact CB-CD1 4.43Å; A476-I483 HydrophobicContact CB-CG1 4.49Å; A476-V513 HydrophobicContact CB-CG2 3.47Å; A476-V513 VanDerWaalsContact CB-CG2 3.47Å
477	R	95.4	Very high	95.5	Very high	88 Å²	88	29.6 Å²	29.6	33%	0.332	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-64.4	-20.1	176.1	-59.9	-176.7	-167.1	-145	3.6	112.5	E232 F235 D474 V475 V479 N480 I483	E232-R477 IonicContact OE1-NH2 3.23Å; E232-R477 PolarHBondContact OE1-NH2 2.7Å; E232-R477 IonicContact OE2-CZ 2.76Å; E232-R477 VanDerWaalsContact OE2-CZ 3.32Å; E232-R477 IonicContact OE2-NH1 2.65Å; E232-R477 IonicContact OE2-NH2 3.35Å; E232-R477 PolarHBondContact OE2-NH2 3.08Å; F235-R477 HydrophobicContact CD1-CG 4.37Å; F235-R477 HydrophobicContact CE1-CG 4.03Å; F235-R477 HydrophobicContact CE2-CG 4.49Å; F235-R477 HydrophobicContact CZ-CG 4.12Å; D474-R477 WeakPolarHBondContact O-CB 3.3Å; D474-R477 WeakPolarHBondContact O-CG 3.35Å; D474-R477 PolarHBondContact O-N 2.76Å; D474-R477 IonicContact OD1-CZ 3.09Å; D474-R477 IonicContact OD1-NE 3.41Å; D474-R477 PolarHBondContact OD1-NE 3.15Å; D474-R477 IonicContact OD1-NH2 2.76Å; D474-R477 PolarHBondContact OD1-NH2 3.1Å; V475-R477 PolarHBondContact O-N 3.05Å; R477-V479 PolarHBondContact O-N 2.79Å; R477-N480 PolarHBondContact O-N 3.49Å; R477-I483 HydrophobicContact CG-CD1 4.23Å
478	V	94.9	Very high	95.8	Very high	60 Å²	60	27 Å²	27	36%	0.364	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	-56.2	-33.9	176.9	67.7	0	0	0	0	112.6	Y432 F435 V475 A476	Y432-V478 HydrophobicContact CD2-CB 4.25Å; Y432-V478 HydrophobicContact CD2-CG1 4.16Å; Y432-V478 HydrophobicContact CD2-CG2 4.03Å; Y432-V478 HydrophobicContact CE2-CB 4.03Å; Y432-V478 HydrophobicContact CE2-CG1 4.31Å; Y432-V478 HydrophobicContact CE2-CG2 3.35Å; F435-V478 HydrophobicContact CB-CG1 3.96Å; V475-V478 WeakPolarHBondContact O-CG1 3.45Å; V475-V478 PolarHBondContact O-N 3.02Å; A476-V478 PolarHBondContact O-N 3.13Å
479	V	94.8	Very high	96	Very high	27 Å²	27	21.5 Å²	21.5	16%	0.164	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-107.1	11.5	177.9	-67.1	0	0	0	0	113.3	F435 A476 R477 A481	F435-V479 HydrophobicContact CB-CG1 4.26Å; F435-V479 HydrophobicContact CB-CG2 4.29Å; F435-V479 HydrophobicContact CD1-CG2 3.69Å; F435-V479 HydrophobicContact CE1-CG2 4.44Å; F435-V479 HydrophobicContact CG-CG2 4.29Å; F435-V479 VanDerWaalsContact O-CG1 3.27Å; F435-V479 WeakPolarHBondContact O-CG1 3.3Å; A476-V479 WeakPolarHBondContact O-CG2 3.4Å; A476-V479 PolarHBondContact O-N 3.18Å; R477-V479 PolarHBondContact O-N 2.79Å; V479-A481 HydrophobicContact CG2-CB 4.05Å; V479-A481 PolarHBondContact O-N 2.94Å
480	N	95.7	Very high	96.4	Very high	54 Å²	54	21.1 Å²	21.1	29%	0.289	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	54	35.1	-173.5	-53.9	-61.5	0	0	0	113.4	F235 I236 R477	F235-N480 HydrophobicContact CD2-CB 4.31Å; F235-N480 HydrophobicContact CE2-CB 4.44Å; F235-N480 PolarHBondContact O-OD1 3.37Å; I236-N480 HydrophobicContact CG1-CB 4.31Å; I236-N480 WeakPolarHBondContact CG1-O 3.3Å; R477-N480 PolarHBondContact O-N 3.49Å
481	A	97.7	Very high	97	Very high	3 Å²	3	18.9 Å²	18.9	3%	0.025	10%	0.098	C	C	.	.			trans	-69.7	131	172.3	0	0	0	0	0	109.7	F235 A476 V479 D511	F235-A481 WeakPolarHBondContact CE2-O 3.07Å; F235-A481 VanDerWaalsContact CZ-O 3.25Å; F235-A481 WeakPolarHBondContact CZ-O 3.3Å; A476-A481 HydrophobicContact CB-CB 4.28Å; A476-A481 PolarHBondContact O-N 3.27Å; V479-A481 HydrophobicContact CG2-CB 4.05Å; V479-A481 PolarHBondContact O-N 2.94Å; A481-D511 HydrophobicContact CB-CB 4.04Å; A481-D511 WeakPolarHBondContact CB-O 3.44Å
482	P	98.4	Very high	97.2	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.098	C	C	.	.			trans	-64.3	146.7	173.6	25.5	-32.1	0	0	0	110.7	I236 I245 F484 W504 V512 V513	I236-P482 HydrophobicContact CD1-CB 3.93Å; I236-P482 HydrophobicContact CD1-CG 4.34Å; I245-P482 HydrophobicContact CD1-CB 3.76Å; I245-P482 HydrophobicContact CD1-CG 4.27Å; P482-F484 HydrophobicContact CB-CE1 4.03Å; P482-F484 HydrophobicContact CB-CZ 4Å; P482-F484 HydrophobicContact CG-CZ 4.3Å; P482-W504 HydrophobicContact CG-CD2 3.66Å; P482-W504 HydrophobicContact CG-CE3 4.03Å; P482-W504 HydrophobicContact CG-CG 4.23Å; P482-W504 HydrophobicContact CG-CH2 3.89Å; P482-W504 HydrophobicContact CG-CZ2 3.51Å; P482-W504 HydrophobicContact CG-CZ3 4.15Å; P482-V512 HydrophobicContact CG-CB 4.27Å; P482-V512 HydrophobicContact CG-CG2 4.05Å; P482-V513 PolarHBondContact O-N 3.42Å
483	I	98.8	Very high	97.3	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	125.3	-178.6	-51.3	167.9	0	0	0	108.5	E232 F235 T473 A476 R477 H485 V513	E232-I483 HydrophobicContact CB-CB 4.21Å; E232-I483 PolarHBondContact N-O 3.36Å; E232-I483 PolarHBondContact O-N 3.05Å; F235-I483 HydrophobicContact CZ-CD1 4.39Å; F235-I483 HydrophobicContact CZ-CG1 4.43Å; T473-I483 HydrophobicContact CG2-CG2 4.22Å; T473-I483 WeakPolarHBondContact O-CD1 3.43Å; T473-I483 WeakPolarHBondContact OG1-CG2 3.43Å; A476-I483 HydrophobicContact CB-CD1 4.43Å; A476-I483 HydrophobicContact CB-CG1 4.49Å; R477-I483 HydrophobicContact CG-CD1 4.23Å; I483-H485 VanDerWaalsContact CG2-CE1 3.47Å; I483-H485 WeakPolarHBondContact CG2-CE1 3.47Å; I483-H485 WeakPolarHBondContact CG2-NE2 3.37Å; I483-V513 WeakPolarHBondContact CA-O 3.33Å; I483-V513 HydrophobicContact CB-CB 4.5Å; I483-V513 HydrophobicContact CG1-CB 4.24Å; I483-V513 HydrophobicContact CG1-CG2 4.48Å; I483-V513 HydrophobicContact CG2-CB 4.25Å; I483-V513 HydrophobicContact CG2-CG1 4.37Å
484	F	98.7	Very high	97.3	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	106.3	177.5	-52.3	-41.5	0	0	0	109.3	V231 I245 F249 P482 V497 V500 A501 V512 V513 V514 D515	V231-F484 HydrophobicContact CG1-CD1 3.81Å; V231-F484 HydrophobicContact CG1-CE1 3.78Å; I245-F484 HydrophobicContact CG2-CE1 4.4Å; F249-F484 AromaticContact CE2-CD1 3.91Å; F249-F484 HydrophobicContact CE2-CD1 3.91Å; F249-F484 AromaticContact CE2-CE1 3.5Å; F249-F484 HydrophobicContact CE2-CE1 3.5Å; F249-F484 HydrophobicContact CE2-CE2 4.5Å; F249-F484 AromaticContact CE2-CZ 3.84Å; F249-F484 HydrophobicContact CE2-CZ 3.84Å; F249-F484 AromaticContact CZ-CD1 3.81Å; F249-F484 HydrophobicContact CZ-CD1 3.81Å; F249-F484 HydrophobicContact CZ-CD2 4.42Å; F249-F484 AromaticContact CZ-CE1 3.86Å; F249-F484 HydrophobicContact CZ-CE1 3.86Å; F249-F484 HydrophobicContact CZ-CE2 4.45Å; F249-F484 HydrophobicContact CZ-CG 4.12Å; F249-F484 HydrophobicContact CZ-CZ 4.19Å; P482-F484 HydrophobicContact CB-CE1 4.03Å; P482-F484 HydrophobicContact CB-CZ 4Å; P482-F484 HydrophobicContact CG-CZ 4.3Å; F484-V497 HydrophobicContact CB-CG1 3.36Å; F484-V497 HydrophobicContact CB-CG2 4.45Å; F484-V497 HydrophobicContact CD2-CG1 4.02Å; F484-V497 HydrophobicContact CG-CG1 4.07Å; F484-V500 HydrophobicContact CE2-CG1 4.03Å; F484-V500 HydrophobicContact CZ-CG1 4.15Å; F484-A501 HydrophobicContact CD2-CB 4.41Å; F484-A501 HydrophobicContact CE2-CB 4.46Å; F484-V512 HydrophobicContact CD2-CG2 3.88Å; F484-V512 HydrophobicContact CE2-CG2 3.55Å; F484-V512 HydrophobicContact CZ-CG2 4.34Å; F484-V513 PolarHBondContact N-O 3.36Å; F484-V514 WeakPolarHBondContact O-CA 3.13Å; F484-D515 PolarHBondContact O-N 3.02Å
485	H	98.6	Very high	97.4	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	135.3	173.5	-47.4	-89.5	0	0	0	109.6	L147 I229 G230 E232 Y471 T473 I483 D515	L147-H485 HydrophobicContact CD1-CB 3.58Å; L147-H485 HydrophobicContact CD2-CB 3.71Å; L147-H485 WeakPolarHBondContact CD2-O 3.5Å; L147-H485 HydrophobicContact CG-CB 4.26Å; I229-H485 CarbonylContact C-O 3.56Å; I229-H485 WeakPolarHBondContact CA-O 3.27Å; G230-H485 PolarHBondContact N-O 2.75Å; G230-H485 PolarHBondContact O-N 3.11Å; E232-H485 IonicContact OE1-CE1 2.84Å; E232-H485 IonicContact OE1-NE2 3.33Å; E232-H485 PolarHBondContact OE1-NE2 2.86Å; Y471-H485 AromaticContact CD1-CE1 3.55Å; Y471-H485 AromaticContact CD1-ND1 3.81Å; Y471-H485 AromaticContact CG-CE1 3.53Å; T473-H485 PolarHBondContact OG1-CE1 3.15Å; I483-H485 VanDerWaalsContact CG2-CE1 3.47Å; I483-H485 WeakPolarHBondContact CG2-CE1 3.47Å; I483-H485 WeakPolarHBondContact CG2-NE2 3.37Å; H485-D515 HydrophobicContact CB-CB 4.36Å; H485-D515 IonicContact CE1-OD2 3.39Å; H485-D515 IonicContact CG-OD2 2.71Å; H485-D515 WeakPolarHBondContact ND1-CB 3.33Å; H485-D515 IonicContact ND1-OD2 3.5Å; H485-D515 PolarHBondContact ND1-OD2 3.22Å
486	V	98.6	Very high	97.5	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	137	-178.7	62.4	0	0	0	0	111.8	H228 I229 S488 A493 V494 V497 V514 D515 L516 V517	H228-V486 WeakPolarHBondContact O-CA 3.45Å; I229-V486 HydrophobicContact CG1-CG2 4.24Å; V486-S488 PolarHBondContact O-N 3.32Å; V486-A493 HydrophobicContact CG2-CB 3.83Å; V486-V494 HydrophobicContact CB-CG2 4.44Å; V486-V494 HydrophobicContact CG1-CG2 3.93Å; V486-V494 HydrophobicContact CG2-CB 4.37Å; V486-V494 HydrophobicContact CG2-CG2 3.67Å; V486-V497 HydrophobicContact CB-CG2 4.23Å; V486-V497 HydrophobicContact CG2-CG2 4.34Å; V486-V514 HydrophobicContact CG1-CG1 4.3Å; V486-D515 PolarHBondContact N-O 2.81Å; V486-L516 HydrophobicContact CG1-CD2 3.58Å; V486-V517 PolarHBondContact O-N 2.93Å
487	N	98.3	Very high	97.6	Very high	12 Å²	12	17.5 Å²	17.5	6%	0.064	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	117.3	174	-168.9	-37.6	0	0	0	109.8	K146 L147 H228 D489 D490	K146-N487 PolarHBondContact O-ND2 2.91Å; L147-N487 WeakPolarHBondContact O-CA 3.43Å; L147-N487 WeakPolarHBondContact O-CB 3.42Å; L147-N487 VanDerWaalsContact O-CG 3.25Å; L147-N487 PolarHBondContact O-ND2 2.95Å; H228-N487 HydrophobicContact CB-CB 3.94Å; H228-N487 PolarHBondContact O-N 3.16Å; N487-D489 PolarHBondContact O-N 3.01Å; N487-D489 WeakPolarHBondContact OD1-CB 3.45Å; N487-D489 PolarHBondContact OD1-N 2.98Å; N487-D490 PolarHBondContact O-N 2.98Å
488	S	97.8	Very high	97.8	Very high	2 Å²	2	13.3 Å²	13.3	1%	0.014	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-12.1	-175.5	-61.1	0	0	0	0	114.2	V486 D490 V517 C518	V486-S488 PolarHBondContact O-N 3.32Å; S488-D490 VanDerWaalsContact C-N 3.31Å; S488-V517 VanDerWaalsContact CB-O 3.23Å; S488-V517 WeakPolarHBondContact CB-O 3.14Å; S488-V517 PolarHBondContact N-O 2.67Å; S488-V517 PolarHBondContact OG-O 3.13Å; S488-C518 WeakPolarHBondContact OG-CB 3.39Å
489	D	96.4	Very high	97.9	Very high	22 Å²	22	14.3 Å²	14.3	12%	0.118	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	0.3	172	-85.2	-13.8	0	0	0	113.4	P149 N487 P491 K550	P149-D489 HydrophobicContact CB-CB 4.02Å; P149-D489 VanDerWaalsContact CB-OD2 3.29Å; P149-D489 WeakPolarHBondContact CB-OD2 3.29Å; N487-D489 PolarHBondContact O-N 3.01Å; N487-D489 WeakPolarHBondContact OD1-CB 3.45Å; N487-D489 PolarHBondContact OD1-N 2.98Å; D489-P491 WeakPolarHBondContact O-CD 3.12Å; D489-K550 HydrophobicContact CB-CD 4.45Å; D489-K550 IonicContact OD2-NZ 3.55Å; D489-K550 PolarHBondContact OD2-NZ 2.97Å
490	D	97.6	Very high	98.1	Very high	39 Å²	39	13 Å²	13	21%	0.209	6%	0.064	C	C	.	.			trans	-110.6	89.7	166.8	-172.8	-22.1	0	0	0	110.6	H228 N487 S488 E492 A493 V494	H228-D490 HydrophobicContact CB-CB 4.03Å; H228-D490 IonicContact CE1-OD2 2.75Å; H228-D490 IonicContact CG-OD2 3.85Å; H228-D490 WeakPolarHBondContact ND1-CB 3.2Å; H228-D490 IonicContact ND1-OD2 2.76Å; H228-D490 PolarHBondContact ND1-OD2 3.24Å; N487-D490 PolarHBondContact O-N 2.98Å; S488-D490 VanDerWaalsContact C-N 3.31Å; D490-E492 VanDerWaalsContact C-N 3.3Å; D490-E492 PolarHBondContact O-N 2.71Å; D490-E492 PolarHBondContact OD1-N 2.74Å; D490-A493 HydrophobicContact CB-CB 3.91Å; D490-A493 VanDerWaalsContact CG-CB 3.47Å; D490-A493 PolarHBondContact O-N 2.94Å; D490-A493 PolarHBondContact OD1-N 3.47Å; D490-V494 WeakPolarHBondContact O-CG2 3.36Å; D490-V494 PolarHBondContact O-N 3.11Å; D490-V494 VanDerWaalsContact O-N 3.13Å
491	P	97.9	Very high	98.3	Very high	6 Å²	6	10.4 Å²	10.4	4%	0.039	5%	0.051	C	C	.	.	H	α-helix	trans	-63.3	-32.1	-175.8	-27.1	38.4	0	0	0	114.3	L265 L269 V296 D489 V494 M495 V547 Y551	L265-P491 HydrophobicContact CD1-CB 4.06Å; L265-P491 HydrophobicContact CD2-CB 3.78Å; L265-P491 HydrophobicContact CG-CB 4.17Å; L269-P491 HydrophobicContact CD1-CB 3.98Å; L269-P491 HydrophobicContact CD1-CG 3.86Å; V296-P491 HydrophobicContact CG2-CB 4.09Å; V296-P491 HydrophobicContact CG2-CG 4.49Å; D489-P491 WeakPolarHBondContact O-CD 3.12Å; P491-V494 PolarHBondContact O-N 3.3Å; P491-M495 WeakPolarHBondContact O-CG 3.44Å; P491-M495 PolarHBondContact O-N 3.45Å; P491-V547 HydrophobicContact CG-CG2 3.52Å; P491-Y551 HydrophobicContact CB-CD2 4.38Å; P491-Y551 HydrophobicContact CG-CD2 4.2Å; P491-Y551 HydrophobicContact CG-CG 4.22Å
492	E	97.9	Very high	98.3	Very high	22 Å²	22	10.3 Å²	10.3	10%	0.103	5%	0.05	C	C	.	.	H	α-helix	trans	-67.8	-43.7	178.1	-73.7	-175.6	-153.1	0	0	110	M255 F257 K262 L265 D490 V494 M495 Y496 Y551	M255-E492 HydrophobicContact CE-CB 4.19Å; F257-E492 HydrophobicContact CD2-CB 3.9Å; F257-E492 HydrophobicContact CD2-CG 3.95Å; F257-E492 WeakPolarHBondContact CD2-OE2 3.44Å; F257-E492 HydrophobicContact CE2-CB 3.62Å; F257-E492 HydrophobicContact CE2-CG 4.16Å; F257-E492 HydrophobicContact CG-CG 4.35Å; F257-E492 HydrophobicContact CZ-CB 4.18Å; F257-E492 WeakPolarHBondContact CZ-O 3.39Å; K262-E492 WeakPolarHBondContact CE-OE1 3.39Å; K262-E492 IonicContact NZ-OE1 3.76Å; L265-E492 HydrophobicContact CD2-CG 4.18Å; D490-E492 VanDerWaalsContact C-N 3.3Å; D490-E492 PolarHBondContact O-N 2.71Å; D490-E492 PolarHBondContact OD1-N 2.74Å; E492-V494 VanDerWaalsContact C-N 3.33Å; E492-V494 PolarHBondContact O-N 3.06Å; E492-M495 PolarHBondContact O-N 3.21Å; E492-Y496 PolarHBondContact O-N 3.24Å; E492-Y551 HydrophobicContact CG-CE2 3.93Å
493	A	98.1	Very high	98.3	Very high	1 Å²	1	11.4 Å²	11.4	1%	0.008	6%	0.055	C	C	.	.	H	α-helix	trans	-59.9	-42.6	174.7	0	0	0	0	0	112.2	H228 I229 M255 V486 D490 M495 Y496 V497	H228-A493 HydrophobicContact CB-CB 4.32Å; I229-A493 HydrophobicContact CD1-CB 4.03Å; I229-A493 HydrophobicContact CG1-CB 3.88Å; M255-A493 VanDerWaalsContact CE-CA 3.41Å; M255-A493 HydrophobicContact CE-CB 3.96Å; V486-A493 HydrophobicContact CG2-CB 3.83Å; D490-A493 HydrophobicContact CB-CB 3.91Å; D490-A493 VanDerWaalsContact CG-CB 3.47Å; D490-A493 PolarHBondContact O-N 2.94Å; D490-A493 PolarHBondContact OD1-N 3.47Å; A493-M495 PolarHBondContact O-N 2.9Å; A493-Y496 PolarHBondContact O-N 2.88Å; A493-V497 WeakPolarHBondContact O-CG2 3.46Å; A493-V497 PolarHBondContact O-N 2.7Å
494	V	98.7	Very high	98.3	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-61.8	-44.5	176.7	179	0	0	0	0	111	V296 A300 V486 D490 P491 E492 Y496 V497 C498 L516	V296-V494 HydrophobicContact CG1-CG1 4.33Å; V296-V494 HydrophobicContact CG1-CG2 4.19Å; V296-V494 HydrophobicContact CG2-CB 3.9Å; V296-V494 HydrophobicContact CG2-CG1 3.91Å; V296-V494 HydrophobicContact CG2-CG2 4.02Å; A300-V494 HydrophobicContact CB-CG1 3.76Å; V486-V494 HydrophobicContact CB-CG2 4.44Å; V486-V494 HydrophobicContact CG1-CG2 3.93Å; V486-V494 HydrophobicContact CG2-CB 4.37Å; V486-V494 HydrophobicContact CG2-CG2 3.67Å; D490-V494 WeakPolarHBondContact O-CG2 3.36Å; D490-V494 PolarHBondContact O-N 3.11Å; D490-V494 VanDerWaalsContact O-N 3.13Å; P491-V494 PolarHBondContact O-N 3.3Å; E492-V494 VanDerWaalsContact C-N 3.33Å; E492-V494 PolarHBondContact O-N 3.06Å; V494-Y496 VanDerWaalsContact C-N 3.31Å; V494-Y496 PolarHBondContact O-N 2.81Å; V494-V497 PolarHBondContact O-N 3Å; V494-C498 VanDerWaalsContact O-CB 3.32Å; V494-C498 WeakPolarHBondContact O-CB 3.43Å; V494-C498 PolarHBondContact O-N 2.85Å; V494-C498 PolarHBondContact O-SG 3.14Å; V494-C498 VanDerWaalsContact O-SG 3.34Å; V494-L516 HydrophobicContact CG1-CD2 3.74Å; V494-L516 HydrophobicContact CG2-CD2 4.37Å
495	M	98.4	Very high	98.3	Very high	13 Å²	13	11.6 Å²	11.6	6%	0.064	6%	0.055	C	C	.	.	H	α-helix	trans	-61.6	-41.6	177.9	-66.3	-47.1	85.8	0	0	111.6	F257 L265 V296 P299 A300 T303 P491 E492 A493 C498 K499	F257-M495 HydrophobicContact CE1-CB 3.93Å; F257-M495 HydrophobicContact CZ-CB 4.09Å; L265-M495 HydrophobicContact CD1-CE 4.32Å; L265-M495 HydrophobicContact CD1-CG 3.9Å; L265-M495 HydrophobicContact CD1-SD 3.9Å; L265-M495 HydrophobicContact CD2-CG 3.87Å; L265-M495 HydrophobicContact CG-CG 4.42Å; V296-M495 HydrophobicContact CG2-CE 4.25Å; P299-M495 HydrophobicContact CB-CE 3.88Å; P299-M495 HydrophobicContact CB-SD 3.8Å; P299-M495 HydrophobicContact CG-CE 4.34Å; A300-M495 HydrophobicContact CB-CE 4.13Å; T303-M495 HydrophobicContact CG2-SD 4.44Å; T303-M495 PolarHBondContact OG1-SD 3.23Å; P491-M495 WeakPolarHBondContact O-CG 3.44Å; P491-M495 PolarHBondContact O-N 3.45Å; E492-M495 PolarHBondContact O-N 3.21Å; A493-M495 PolarHBondContact O-N 2.9Å; M495-C498 PolarHBondContact O-N 3.44Å; M495-K499 WeakPolarHBondContact O-CB 3.49Å; M495-K499 PolarHBondContact O-N 2.81Å
496	Y	98.5	Very high	98.2	Very high	19 Å²	19	13.5 Å²	13.5	8%	0.075	7%	0.069	C	C	.	.	H	α-helix	trans	-62	-50	177.9	-176	-97.5	0	0	0	111.7	I229 K248 F249 I254 M255 E492 A493 V494 C498 K499 V500	I229-Y496 HydrophobicContact CD1-CD1 4.2Å; K248-Y496 PolarHBondContact O-OH 3.14Å; F249-Y496 AromaticContact CD1-CE1 3.99Å; F249-Y496 HydrophobicContact CD1-CE1 3.99Å; F249-Y496 HydrophobicContact CE1-CD1 4.18Å; F249-Y496 AromaticContact CE1-CE1 3.83Å; F249-Y496 HydrophobicContact CE1-CE1 3.83Å; I254-Y496 HydrophobicContact CB-CE1 4.47Å; I254-Y496 HydrophobicContact CB-CE2 3.82Å; I254-Y496 HydrophobicContact CD1-CD1 4.28Å; I254-Y496 HydrophobicContact CD1-CE1 3.59Å; I254-Y496 HydrophobicContact CD1-CE2 4.43Å; I254-Y496 VanDerWaalsContact O-CD2 3.29Å; I254-Y496 WeakPolarHBondContact O-CD2 3.38Å; I254-Y496 VanDerWaalsContact O-CE2 3.27Å; I254-Y496 WeakPolarHBondContact O-CE2 3.5Å; M255-Y496 HydrophobicContact SD-CD1 4.1Å; M255-Y496 HydrophobicContact SD-CD2 4.4Å; M255-Y496 HydrophobicContact SD-CG 3.79Å; E492-Y496 PolarHBondContact O-N 3.24Å; A493-Y496 PolarHBondContact O-N 2.88Å; V494-Y496 VanDerWaalsContact C-N 3.31Å; V494-Y496 PolarHBondContact O-N 2.81Å; Y496-C498 PolarHBondContact O-N 2.98Å; Y496-K499 WeakPolarHBondContact O-CB 3.29Å; Y496-K499 PolarHBondContact O-N 3.27Å; Y496-V500 HydrophobicContact CD1-CG2 4.19Å; Y496-V500 HydrophobicContact CE1-CG2 3.63Å; Y496-V500 HydrophobicContact CE2-CG2 4.29Å; Y496-V500 WeakPolarHBondContact O-CG2 3.38Å; Y496-V500 PolarHBondContact O-N 3.21Å
497	V	98.5	Very high	98.2	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-60	-44.6	178	167	0	0	0	0	111.6	I229 F249 F484 V486 A493 V494 K499 V500 A501 V514	I229-V497 HydrophobicContact CD1-CG2 3.84Å; I229-V497 HydrophobicContact CG1-CG2 3.95Å; I229-V497 HydrophobicContact CG2-CG2 3.84Å; F249-V497 HydrophobicContact CE1-CG2 4.26Å; F484-V497 HydrophobicContact CB-CG1 3.36Å; F484-V497 HydrophobicContact CB-CG2 4.45Å; F484-V497 HydrophobicContact CD2-CG1 4.02Å; F484-V497 HydrophobicContact CG-CG1 4.07Å; V486-V497 HydrophobicContact CB-CG2 4.23Å; V486-V497 HydrophobicContact CG2-CG2 4.34Å; A493-V497 WeakPolarHBondContact O-CG2 3.46Å; A493-V497 PolarHBondContact O-N 2.7Å; V494-V497 PolarHBondContact O-N 3Å; V497-K499 VanDerWaalsContact C-N 3.34Å; V497-K499 PolarHBondContact O-N 3.31Å; V497-V500 PolarHBondContact O-N 3.11Å; V497-A501 WeakPolarHBondContact O-CB 3.29Å; V497-A501 PolarHBondContact O-N 3.23Å; V497-V514 HydrophobicContact CG1-CB 4.5Å; V497-V514 HydrophobicContact CG1-CG1 3.85Å; V497-V514 HydrophobicContact CG1-CG2 4.04Å
498	C	98.8	Very high	98.1	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-63.2	-38.2	177.7	-76.9	0	0	0	0	113	A300 T303 I304 V494 M495 Y496 A501 A502	A300-C498 VanDerWaalsContact CB-SG 3.6Å; T303-C498 HydrophobicContact CG2-CB 4.16Å; I304-C498 HydrophobicContact CD1-CB 4.35Å; I304-C498 HydrophobicContact CG1-CB 3.8Å; V494-C498 VanDerWaalsContact O-CB 3.32Å; V494-C498 WeakPolarHBondContact O-CB 3.43Å; V494-C498 PolarHBondContact O-N 2.85Å; V494-C498 PolarHBondContact O-SG 3.14Å; V494-C498 VanDerWaalsContact O-SG 3.34Å; M495-C498 PolarHBondContact O-N 3.44Å; Y496-C498 PolarHBondContact O-N 2.98Å; C498-A501 PolarHBondContact O-N 3.1Å; C498-A502 PolarHBondContact O-N 3.29Å
499	K	98.4	Very high	98.1	Very high	80 Å²	80	20.1 Å²	20.1	35%	0.348	10%	0.104	S	C	.	.	H	α-helix	trans	-61.6	-48.6	172.3	175.7	-174.4	174.4	179.2	0	110.7	T303 K307 M495 Y496 V497 A501 A502 E503	T303-K499 HydrophobicContact CG2-CB 4.33Å; K307-K499 HydrophobicContact CD-CG 4.37Å; K307-K499 HydrophobicContact CG-CG 4.17Å; M495-K499 WeakPolarHBondContact O-CB 3.49Å; M495-K499 PolarHBondContact O-N 2.81Å; Y496-K499 WeakPolarHBondContact O-CB 3.29Å; Y496-K499 PolarHBondContact O-N 3.27Å; V497-K499 VanDerWaalsContact C-N 3.34Å; V497-K499 PolarHBondContact O-N 3.31Å; K499-A501 VanDerWaalsContact C-N 3.33Å; K499-A501 PolarHBondContact O-N 3.23Å; K499-A502 PolarHBondContact O-N 3.16Å; K499-E503 WeakPolarHBondContact CE-OE1 3.41Å; K499-E503 WeakPolarHBondContact O-CG 3.5Å; K499-E503 PolarHBondContact O-N 2.97Å
500	V	98.7	Very high	98.1	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-63	-38.6	178.8	175.8	0	0	0	0	111.4	W244 K248 F249 F484 Y496 V497 E503 W504	W244-V500 HydrophobicContact CH2-CG1 3.85Å; W244-V500 HydrophobicContact CZ3-CG1 3.74Å; K248-V500 HydrophobicContact CB-CG1 4.2Å; K248-V500 HydrophobicContact CB-CG2 4.34Å; K248-V500 HydrophobicContact CD-CG2 4.42Å; K248-V500 HydrophobicContact CG-CG1 4.19Å; F249-V500 HydrophobicContact CE2-CG1 3.79Å; F249-V500 HydrophobicContact CZ-CB 4.26Å; F249-V500 HydrophobicContact CZ-CG1 3.91Å; F249-V500 HydrophobicContact CZ-CG2 4.42Å; F484-V500 HydrophobicContact CE2-CG1 4.03Å; F484-V500 HydrophobicContact CZ-CG1 4.15Å; Y496-V500 HydrophobicContact CD1-CG2 4.19Å; Y496-V500 HydrophobicContact CE1-CG2 3.63Å; Y496-V500 HydrophobicContact CE2-CG2 4.29Å; Y496-V500 WeakPolarHBondContact O-CG2 3.38Å; Y496-V500 PolarHBondContact O-N 3.21Å; V497-V500 PolarHBondContact O-N 3.11Å; V500-E503 PolarHBondContact O-N 3.06Å; V500-W504 WeakPolarHBondContact O-CB 3.41Å; V500-W504 PolarHBondContact O-N 3.39Å
501	A	98.8	Very high	98.2	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-63.2	-43.6	175.6	0	0	0	0	0	112.4	V449 F484 V497 C498 K499 E503 W504 R505 V512 V514	V449-A501 HydrophobicContact CG1-CB 4.32Å; F484-A501 HydrophobicContact CD2-CB 4.41Å; F484-A501 HydrophobicContact CE2-CB 4.46Å; V497-A501 WeakPolarHBondContact O-CB 3.29Å; V497-A501 PolarHBondContact O-N 3.23Å; C498-A501 PolarHBondContact O-N 3.1Å; K499-A501 VanDerWaalsContact C-N 3.33Å; K499-A501 PolarHBondContact O-N 3.23Å; A501-E503 VanDerWaalsContact C-N 3.35Å; A501-E503 PolarHBondContact O-N 3.06Å; A501-W504 PolarHBondContact O-N 3.37Å; A501-R505 PolarHBondContact O-N 3.1Å; A501-V512 HydrophobicContact CB-CG1 3.97Å; A501-V512 HydrophobicContact CB-CG2 3.93Å; A501-V514 HydrophobicContact CB-CG2 3.66Å
502	A	98.6	Very high	98.2	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-63.1	-41.1	174.6	0	0	0	0	0	112	I304 K307 C498 K499 S506	I304-A502 HydrophobicContact CG2-CB 4.38Å; K307-A502 HydrophobicContact CB-CB 3.88Å; K307-A502 HydrophobicContact CG-CB 4.03Å; C498-A502 PolarHBondContact O-N 3.29Å; K499-A502 PolarHBondContact O-N 3.16Å; A502-S506 WeakPolarHBondContact O-CB 3.14Å; A502-S506 PolarHBondContact O-N 3.37Å
503	E	98.6	Very high	98.2	Very high	23 Å²	23	18.7 Å²	18.7	11%	0.107	9%	0.094	C	C	.	.	H	α-helix	trans	-65.1	-43	175	-70.1	174	179.1	0	0	111.9	W244 K248 K307 K499 V500 A501 S506 T507	W244-E503 HydrophobicContact CH2-CB 3.99Å; W244-E503 HydrophobicContact CZ2-CB 3.92Å; K248-E503 WeakPolarHBondContact CE-OE2 3.49Å; K248-E503 IonicContact NZ-OE2 2.78Å; K248-E503 PolarHBondContact NZ-OE2 2.96Å; K307-E503 WeakPolarHBondContact CE-OE1 3.23Å; K307-E503 HydrophobicContact CG-CG 4.19Å; K307-E503 IonicContact NZ-OE1 2.61Å; K499-E503 WeakPolarHBondContact CE-OE1 3.41Å; K499-E503 WeakPolarHBondContact O-CG 3.5Å; K499-E503 PolarHBondContact O-N 2.97Å; V500-E503 PolarHBondContact O-N 3.06Å; A501-E503 VanDerWaalsContact C-N 3.35Å; A501-E503 PolarHBondContact O-N 3.06Å; E503-S506 CarbonylContact O-C 3.48Å; E503-S506 PolarHBondContact O-N 3.48Å; E503-T507 WeakPolarHBondContact O-CB 3.27Å; E503-T507 PolarHBondContact O-N 2.96Å; E503-T507 PolarHBondContact O-OG1 3.25Å
504	W	98.6	Very high	98.3	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-56.9	-52.8	176.1	167.8	-86.7	0	0	0	111.1	I236 Q241 W244 I245 P482 V500 A501 S506 T507 F508 K510 D511 V512	I236-W504 HydrophobicContact CD1-CH2 4.03Å; Q241-W504 HydrophobicContact CB-CH2 3.66Å; Q241-W504 HydrophobicContact CB-CZ3 3.84Å; Q241-W504 HydrophobicContact CG-CH2 3.6Å; Q241-W504 HydrophobicContact CG-CZ3 3.95Å; W244-W504 AromaticContact CE3-CE3 3.99Å; W244-W504 HydrophobicContact CE3-CE3 3.99Å; W244-W504 HydrophobicContact CH2-CB 4Å; W244-W504 HydrophobicContact CZ3-CB 4.07Å; W244-W504 AromaticContact CZ3-CE3 3.99Å; W244-W504 HydrophobicContact CZ3-CE3 3.99Å; I245-W504 HydrophobicContact CD1-CE3 4.14Å; I245-W504 HydrophobicContact CD1-CH2 4.23Å; I245-W504 HydrophobicContact CD1-CZ3 3.61Å; I245-W504 HydrophobicContact CG1-CE3 4.13Å; I245-W504 HydrophobicContact CG1-CZ3 3.88Å; P482-W504 HydrophobicContact CG-CD2 3.66Å; P482-W504 HydrophobicContact CG-CE3 4.03Å; P482-W504 HydrophobicContact CG-CG 4.23Å; P482-W504 HydrophobicContact CG-CH2 3.89Å; P482-W504 HydrophobicContact CG-CZ2 3.51Å; P482-W504 HydrophobicContact CG-CZ3 4.15Å; V500-W504 WeakPolarHBondContact O-CB 3.41Å; V500-W504 PolarHBondContact O-N 3.39Å; A501-W504 PolarHBondContact O-N 3.37Å; W504-S506 PolarHBondContact O-N 2.84Å; W504-T507 PolarHBondContact O-N 3.44Å; W504-T507 VanDerWaalsContact O-N 3.14Å; W504-F508 AromaticContact CD2-CD2 3.68Å; W504-F508 HydrophobicContact CD2-CD2 3.68Å; W504-F508 HydrophobicContact CD2-CE2 4.39Å; W504-F508 AromaticContact CE3-CD2 3.3Å; W504-F508 HydrophobicContact CE3-CD2 3.3Å; W504-F508 AromaticContact CE3-CE2 3.58Å; W504-F508 HydrophobicContact CE3-CE2 3.58Å; W504-F508 HydrophobicContact CE3-CG 4.35Å; W504-F508 HydrophobicContact CG-CD2 4.38Å; W504-F508 HydrophobicContact CH2-CD2 4.07Å; W504-F508 HydrophobicContact CH2-CE2 4.49Å; W504-F508 HydrophobicContact CH2-CG 4.47Å; W504-F508 HydrophobicContact CZ2-CB 4.46Å; W504-F508 HydrophobicContact CZ2-CD2 4.38Å; W504-F508 AromaticContact CZ3-CD2 3.51Å; W504-F508 HydrophobicContact CZ3-CD2 3.51Å; W504-F508 AromaticContact CZ3-CE2 3.63Å; W504-F508 HydrophobicContact CZ3-CE2 3.63Å; W504-F508 HydrophobicContact CZ3-CG 4.32Å; W504-F508 PolarHBondContact O-N 3.28Å; W504-K510 HydrophobicContact CZ2-CB 4.3Å; W504-K510 PolarHBondContact NE1-O 2.91Å; W504-D511 PolarHBondContact NE1-O 2.73Å; W504-V512 VanDerWaalsContact CD1-CB 3.48Å; W504-V512 HydrophobicContact CG-CB 4.19Å
505	R	98	Very high	98.3	Very high	4 Å²	4	18.7 Å²	18.7	2%	0.015	9%	0.093	C	C	.	.	H	α-helix	trans	-59.4	-40.8	179.5	-174.6	-87.6	178.1	-168.4	-5.2	110.5	G411 V414 M415 T445 H446 G447 V449 A501 H509 V512	G411-R505 VanDerWaalsContact O-CZ 3.25Å; G411-R505 PolarHBondContact O-NH1 2.94Å; G411-R505 PolarHBondContact O-NH2 3.06Å; V414-R505 PolarHBondContact O-NH2 2.99Å; M415-R505 VanDerWaalsContact CB-NH2 3.3Å; T445-R505 PolarHBondContact O-NH2 3.31Å; H446-R505 PolarHBondContact O-NE 2.73Å; G447-R505 WeakPolarHBondContact O-CG 3.35Å; G447-R505 PolarHBondContact O-NE 2.79Å; V449-R505 HydrophobicContact CG2-CB 4Å; V449-R505 HydrophobicContact CG2-CG 4.23Å; A501-R505 PolarHBondContact O-N 3.1Å; R505-H509 VanDerWaalsContact O-CA 3.25Å; R505-H509 WeakPolarHBondContact O-CA 3.37Å; R505-H509 PolarHBondContact O-N 2.9Å; R505-V512 HydrophobicContact CB-CG1 4.49Å
506	S	97.5	Very high	98.3	Very high	40 Å²	40	18 Å²	18	28%	0.28	9%	0.09	S	C	.	.	H	α-helix	trans	-70.6	-30.4	178.1	-172.9	0	0	0	0	114.2	A502 E503 W504	A502-S506 WeakPolarHBondContact O-CB 3.14Å; A502-S506 PolarHBondContact O-N 3.37Å; E503-S506 CarbonylContact O-C 3.48Å; E503-S506 PolarHBondContact O-N 3.48Å; W504-S506 PolarHBondContact O-N 2.84Å
507	T	97.7	Very high	98.3	Very high	72 Å²	72	17.6 Å²	17.6	44%	0.442	9%	0.09	S	C	.	.	H	α-helix	trans	-85.9	-46.4	-178.1	-64.2	0	0	0	0	111.6	E503 W504	E503-T507 WeakPolarHBondContact O-CB 3.27Å; E503-T507 PolarHBondContact O-N 2.96Å; E503-T507 PolarHBondContact O-OG1 3.25Å; W504-T507 PolarHBondContact O-N 3.44Å; W504-T507 VanDerWaalsContact O-N 3.14Å
508	F	97.4	Very high	98.3	Very high	33 Å²	33	17.6 Å²	17.6	15%	0.145	9%	0.09	C	C	.	.	H	α-helix	trans	-106.3	-9.4	-171	-63	-68.3	0	0	0	114.1	Q241 W244 W504 K510	Q241-F508 HydrophobicContact CB-CE1 4.46Å; Q241-F508 HydrophobicContact CB-CZ 4.41Å; Q241-F508 HydrophobicContact CG-CD1 3.52Å; Q241-F508 HydrophobicContact CG-CD2 4.22Å; Q241-F508 HydrophobicContact CG-CE1 3.49Å; Q241-F508 VanDerWaalsContact CG-CE1 3.49Å; Q241-F508 HydrophobicContact CG-CE2 4.18Å; Q241-F508 HydrophobicContact CG-CG 3.89Å; Q241-F508 HydrophobicContact CG-CZ 3.83Å; W244-F508 HydrophobicContact CB-CE2 3.98Å; W244-F508 HydrophobicContact CB-CZ 3.76Å; W244-F508 AromaticContact CD1-CZ 3.98Å; W244-F508 AromaticContact CD2-CE2 3.69Å; W244-F508 HydrophobicContact CD2-CE2 3.69Å; W244-F508 HydrophobicContact CD2-CZ 4.3Å; W244-F508 HydrophobicContact CE3-CE2 4.05Å; W244-F508 AromaticContact CG-CE2 3.66Å; W244-F508 HydrophobicContact CG-CE2 3.66Å; W244-F508 AromaticContact CG-CZ 3.76Å; W244-F508 HydrophobicContact CG-CZ 3.76Å; W504-F508 AromaticContact CD2-CD2 3.68Å; W504-F508 HydrophobicContact CD2-CD2 3.68Å; W504-F508 HydrophobicContact CD2-CE2 4.39Å; W504-F508 AromaticContact CE3-CD2 3.3Å; W504-F508 HydrophobicContact CE3-CD2 3.3Å; W504-F508 AromaticContact CE3-CE2 3.58Å; W504-F508 HydrophobicContact CE3-CE2 3.58Å; W504-F508 HydrophobicContact CE3-CG 4.35Å; W504-F508 HydrophobicContact CG-CD2 4.38Å; W504-F508 HydrophobicContact CH2-CD2 4.07Å; W504-F508 HydrophobicContact CH2-CE2 4.49Å; W504-F508 HydrophobicContact CH2-CG 4.47Å; W504-F508 HydrophobicContact CZ2-CB 4.46Å; W504-F508 HydrophobicContact CZ2-CD2 4.38Å; W504-F508 AromaticContact CZ3-CD2 3.51Å; W504-F508 HydrophobicContact CZ3-CD2 3.51Å; W504-F508 AromaticContact CZ3-CE2 3.63Å; W504-F508 HydrophobicContact CZ3-CE2 3.63Å; W504-F508 HydrophobicContact CZ3-CG 4.32Å; W504-F508 PolarHBondContact O-N 3.28Å; F508-K510 PolarHBondContact O-N 3.47Å
509	H	96.6	Very high	98.2	Very high	48 Å²	48	17.6 Å²	17.6	22%	0.222	9%	0.09	C	C	.	.			trans	56.8	37.2	-179.8	-60.8	-76.3	0	0	0	113.1	E410 H446 G447 R505	E410-H509 PolarHBondContact O-CE1 2.77Å; E410-H509 PolarHBondContact O-ND1 3.3Å; H446-H509 VanDerWaalsContact C-C 3.46Å; H446-H509 CarbonylContact C-O 3.52Å; H446-H509 WeakPolarHBondContact CA-O 3.47Å; H446-H509 HydrophobicContact CB-CB 3.97Å; H446-H509 CarbonylContact O-C 3.55Å; H446-H509 WeakPolarHBondContact O-CA 3.33Å; G447-H509 PolarHBondContact N-O 2.95Å; R505-H509 VanDerWaalsContact O-CA 3.25Å; R505-H509 WeakPolarHBondContact O-CA 3.37Å; R505-H509 PolarHBondContact O-N 2.9Å
510	K	97.1	Very high	98.1	Very high	56 Å²	56	14.4 Å²	14.4	24%	0.243	8%	0.076	C	C	.	.			trans	-127.4	157.1	-177.1	-75.9	-176.8	178	-177.8	0	111.8	Q241 W504 F508	Q241-K510 VanDerWaalsContact NE2-NZ 3.12Å; W504-K510 HydrophobicContact CZ2-CB 4.3Å; W504-K510 PolarHBondContact NE1-O 2.91Å; F508-K510 PolarHBondContact O-N 3.47Å
511	D	98.6	Very high	98	Very high	4 Å²	4	17.2 Å²	17.2	2%	0.021	9%	0.086	C	C	.	.			trans	-60.1	150.4	175.6	-71.3	13.9	0	0	0	111.1	F435 G447 T448 H450 A481 W504	F435-D511 HydrophobicContact CD1-CB 4.39Å; F435-D511 VanDerWaalsContact CD1-OD2 3.24Å; F435-D511 WeakPolarHBondContact CD1-OD2 3.28Å; F435-D511 HydrophobicContact CE1-CB 4.08Å; F435-D511 WeakPolarHBondContact CE1-OD2 3.49Å; G447-D511 VanDerWaalsContact CA-OD1 3.24Å; G447-D511 WeakPolarHBondContact CA-OD1 3.11Å; T448-D511 PolarHBondContact N-OD1 3.24Å; T448-D511 VanDerWaalsContact O-CA 3.29Å; T448-D511 WeakPolarHBondContact O-CA 3.39Å; H450-D511 IonicContact NE2-OD2 3.95Å; H450-D511 PolarHBondContact NE2-OD2 3.22Å; A481-D511 HydrophobicContact CB-CB 4.04Å; A481-D511 WeakPolarHBondContact CB-O 3.44Å; W504-D511 PolarHBondContact NE1-O 2.73Å
512	V	98.8	Very high	97.8	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	142	174.9	52.9	0	0	0	0	109.7	T448 V449 H450 P482 F484 A501 W504 R505	T448-V512 PolarHBondContact O-N 3.04Å; V449-V512 HydrophobicContact CB-CG1 4.4Å; V449-V512 HydrophobicContact CG1-CG1 4.36Å; V449-V512 HydrophobicContact CG2-CG1 3.97Å; H450-V512 PolarHBondContact N-O 3.49Å; P482-V512 HydrophobicContact CG-CB 4.27Å; P482-V512 HydrophobicContact CG-CG2 4.05Å; F484-V512 HydrophobicContact CD2-CG2 3.88Å; F484-V512 HydrophobicContact CE2-CG2 3.55Å; F484-V512 HydrophobicContact CZ-CG2 4.34Å; A501-V512 HydrophobicContact CB-CG1 3.97Å; A501-V512 HydrophobicContact CB-CG2 3.93Å; W504-V512 VanDerWaalsContact CD1-CB 3.48Å; W504-V512 HydrophobicContact CG-CB 4.19Å; R505-V512 HydrophobicContact CB-CG1 4.49Å
513	V	98.9	Very high	97.5	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	129	-178.7	-172.1	0	0	0	0	110.9	F425 F435 H450 V452 T473 A476 P482 I483 F484	F425-V513 HydrophobicContact CZ-CG2 4.48Å; F435-V513 HydrophobicContact CZ-CG2 4.23Å; H450-V513 HydrophobicContact CB-CB 4.45Å; H450-V513 HydrophobicContact CB-CG1 4.34Å; H450-V513 HydrophobicContact CB-CG2 4.11Å; V452-V513 HydrophobicContact CG2-CG1 3.97Å; T473-V513 HydrophobicContact CG2-CG1 3.59Å; A476-V513 HydrophobicContact CB-CG2 3.47Å; A476-V513 VanDerWaalsContact CB-CG2 3.47Å; P482-V513 PolarHBondContact O-N 3.42Å; I483-V513 WeakPolarHBondContact CA-O 3.33Å; I483-V513 HydrophobicContact CB-CB 4.5Å; I483-V513 HydrophobicContact CG1-CB 4.24Å; I483-V513 HydrophobicContact CG1-CG2 4.48Å; I483-V513 HydrophobicContact CG2-CB 4.25Å; I483-V513 HydrophobicContact CG2-CG1 4.37Å; F484-V513 PolarHBondContact N-O 3.36Å
514	V	98.9	Very high	97.3	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	111	168.3	-179.3	0	0	0	0	108.2	H450 V451 V452 F484 V486 V497 A501 L516	H450-V514 PolarHBondContact O-N 3.5Å; V451-V514 WeakPolarHBondContact CA-O 3.42Å; V452-V514 PolarHBondContact N-O 2.79Å; F484-V514 WeakPolarHBondContact O-CA 3.13Å; V486-V514 HydrophobicContact CG1-CG1 4.3Å; V497-V514 HydrophobicContact CG1-CB 4.5Å; V497-V514 HydrophobicContact CG1-CG1 3.85Å; V497-V514 HydrophobicContact CG1-CG2 4.04Å; A501-V514 HydrophobicContact CB-CG2 3.66Å; V514-L516 HydrophobicContact CG1-CD2 3.72Å; V514-L516 HydrophobicContact CG1-CG 4.26Å
515	D	98.8	Very high	97	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	100.3	176.6	-179.1	23.4	0	0	0	110	N454 T473 F484 H485 V486 V517	N454-D515 WeakPolarHBondContact CB-OD1 3.35Å; N454-D515 PolarHBondContact ND2-OD1 3.49Å; N454-D515 PolarHBondContact ND2-OD2 2.9Å; T473-D515 HydrophobicContact CG2-CB 3.87Å; F484-D515 PolarHBondContact O-N 3.02Å; H485-D515 HydrophobicContact CB-CB 4.36Å; H485-D515 IonicContact CE1-OD2 3.39Å; H485-D515 IonicContact CG-OD2 2.71Å; H485-D515 WeakPolarHBondContact ND1-CB 3.33Å; H485-D515 IonicContact ND1-OD2 3.5Å; H485-D515 PolarHBondContact ND1-OD2 3.22Å; V486-D515 PolarHBondContact N-O 2.81Å; D515-V517 PolarHBondContact O-N 2.65Å; D515-V517 VanDerWaalsContact O-N 3.17Å
516	L	98.8	Very high	96.7	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	89.6	177.4	-60.5	-176.3	0	0	0	109.4	L297 V451 V452 N454 V486 V494 V514 C518	L297-L516 HydrophobicContact CB-CD1 4.43Å; L297-L516 HydrophobicContact CD1-CD1 3.8Å; V451-L516 HydrophobicContact CG1-CD1 3.59Å; V451-L516 HydrophobicContact CG1-CG 3.98Å; V452-L516 WeakPolarHBondContact O-CB 3.17Å; V452-L516 PolarHBondContact O-N 3.32Å; N454-L516 PolarHBondContact N-O 2.65Å; V486-L516 HydrophobicContact CG1-CD2 3.58Å; V494-L516 HydrophobicContact CG1-CD2 3.74Å; V494-L516 HydrophobicContact CG2-CD2 4.37Å; V514-L516 HydrophobicContact CG1-CD2 3.72Å; V514-L516 HydrophobicContact CG1-CG 4.26Å; L516-C518 PolarHBondContact O-N 3.32Å; L516-C518 VanDerWaalsContact O-N 3.15Å; L516-C518 PolarHBondContact O-SG 2.91Å; L516-C518 VanDerWaalsContact O-SG 3.33Å
517	V	98.4	Very high	96.3	Very high	10 Å²	10	26.6 Å²	26.6	6%	0.061	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	109.8	178.2	-171.5	0	0	0	0	108.5	L147 V486 S488 D515	L147-V517 HydrophobicContact CB-CB 4.41Å; L147-V517 HydrophobicContact CB-CG1 4.47Å; L147-V517 HydrophobicContact CB-CG2 4.18Å; L147-V517 WeakPolarHBondContact O-CB 3.49Å; L147-V517 WeakPolarHBondContact O-CG1 3.16Å; V486-V517 PolarHBondContact O-N 2.93Å; S488-V517 VanDerWaalsContact CB-O 3.23Å; S488-V517 WeakPolarHBondContact CB-O 3.14Å; S488-V517 PolarHBondContact N-O 2.67Å; S488-V517 PolarHBondContact OG-O 3.13Å; D515-V517 PolarHBondContact O-N 2.65Å; D515-V517 VanDerWaalsContact O-N 3.17Å
518	C	97.9	Very high	96.1	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.121	C	C	.	.			trans	-139.7	-161	-168.3	63.9	0	0	0	0	110.6	G293 C294 N454 N455 Q456 S488 L516	G293-C518 WeakPolarHBondContact O-CB 3.37Å; C294-C518 HydrophobicContact CB-CB 3.71Å; N454-C518 PolarHBondContact O-N 3.46Å; N454-C518 PolarHBondContact O-SG 3.18Å; N455-C518 VanDerWaalsContact CA-SG 3.52Å; N455-C518 PolarHBondContact N-SG 2.86Å; Q456-C518 PolarHBondContact NE2-O 2.86Å; S488-C518 WeakPolarHBondContact OG-CB 3.39Å; L516-C518 PolarHBondContact O-N 3.32Å; L516-C518 VanDerWaalsContact O-N 3.15Å; L516-C518 PolarHBondContact O-SG 2.91Å; L516-C518 VanDerWaalsContact O-SG 3.33Å
519	Y	97.4	Very high	96	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.131	C	C	.	.			trans	-143.2	172.9	172.6	59.4	-87	0	0	0	110.9	P149 L150 G293 R323 R521 I541	P149-Y519 HydrophobicContact CB-CD1 4.3Å; P149-Y519 HydrophobicContact CB-CE1 4.48Å; P149-Y519 HydrophobicContact CG-CD1 3.9Å; L150-Y519 HydrophobicContact CD2-CD1 3.84Å; L150-Y519 HydrophobicContact CD2-CG 3.83Å; L150-Y519 HydrophobicContact CG-CG 4.48Å; G293-Y519 CarbonylContact C-O 3.45Å; G293-Y519 VanDerWaalsContact CA-CE2 3.44Å; G293-Y519 PolarHBondContact O-N 2.68Å; R323-Y519 PolarHBondContact NH2-O 2.88Å; Y519-R521 PolarHBondContact OH-NH2 2.98Å; Y519-I541 HydrophobicContact CD2-CB 4.47Å; Y519-I541 HydrophobicContact CD2-CD1 4.38Å; Y519-I541 HydrophobicContact CD2-CG1 3.97Å; Y519-I541 HydrophobicContact CD2-CG2 3.82Å; Y519-I541 HydrophobicContact CE2-CG2 4.05Å; Y519-I541 HydrophobicContact CG-CG1 4.28Å
520	R	96.9	Very high	96	Very high	13 Å²	13	25.5 Å²	25.5	5%	0.049	12%	0.123	C	C	.	.			trans	-113.7	114	173.8	-169.6	175.8	68.2	-153.3	4.2	110	R323 N455 F459 N522 G523 H524 Y538	R323-R520 VanDerWaalsContact NH2-CA 3.34Å; N455-R520 HydrophobicContact CB-CB 4.28Å; F459-R520 PolarHBondContact O-NH2 3.05Å; R520-N522 VanDerWaalsContact C-N 3.34Å; R520-N522 WeakPolarHBondContact CG-O 3.44Å; R520-N522 PolarHBondContact NE-O 2.91Å; R520-N522 PolarHBondContact O-N 2.94Å; R520-G523 VanDerWaalsContact CD-O 3.31Å; R520-G523 WeakPolarHBondContact CD-O 3.45Å; R520-G523 VanDerWaalsContact NE-C 3.29Å; R520-G523 PolarHBondContact NE-O 3.2Å; R520-H524 VanDerWaalsContact NH2-N 3.18Å; R520-Y538 PolarHBondContact NE-OH 3.32Å; R520-Y538 PolarHBondContact NH2-OH 2.95Å; R520-Y538 WeakPolarHBondContact O-CE1 3.3Å
521	R	95.5	Very high	95.9	Very high	59 Å²	59	25.2 Å²	25.2	22%	0.223	12%	0.123	C	C	.	.	S	Bend	trans	-59.2	-44.3	-176.2	-178.3	60.4	64.4	178.1	2.4	112.7	E292 Y519 I541 Q544	E292-R521 HydrophobicContact CB-CB 3.5Å; E292-R521 VanDerWaalsContact CB-CB 3.5Å; E292-R521 HydrophobicContact CB-CG 4.08Å; E292-R521 PolarHBondContact O-N 3.41Å; Y519-R521 PolarHBondContact OH-NH2 2.98Å; R521-I541 PolarHBondContact NH1-O 3.38Å; R521-Q544 PolarHBondContact NH1-O 3.06Å; R521-Q544 PolarHBondContact NH2-O 3.42Å
522	N	94.1	Very high	95.8	Very high	49 Å²	49	33.4 Å²	33.4	26%	0.262	16%	0.159	S	C	.	.	S	Bend	trans	-102.3	-178	-177.3	-58.6	-42.9	0	0	0	111.4	R520 E526 Y538	R520-N522 VanDerWaalsContact C-N 3.34Å; R520-N522 WeakPolarHBondContact CG-O 3.44Å; R520-N522 PolarHBondContact NE-O 2.91Å; R520-N522 PolarHBondContact O-N 2.94Å; N522-E526 HydrophobicContact CB-CG 4.35Å; N522-Y538 WeakPolarHBondContact O-CE1 3.38Å; N522-Y538 PolarHBondContact O-OH 3.24Å
523	G	93.8	Very high	95.6	Very high	5 Å²	5	36.6 Å²	36.6	5%	0.052	18%	0.179	C	C	.	.	S	Bend	trans	-61	-173.2	167.6	0	0	0	0	0	112.8	R520 N525	R520-G523 VanDerWaalsContact CD-O 3.31Å; R520-G523 WeakPolarHBondContact CD-O 3.45Å; R520-G523 VanDerWaalsContact NE-C 3.29Å; R520-G523 PolarHBondContact NE-O 3.2Å; G523-N525 CarbonylContact C-O 3.25Å; G523-N525 VanDerWaalsContact C-O 3.25Å; G523-N525 WeakPolarHBondContact CA-O 3.35Å; G523-N525 PolarHBondContact O-N 2.95Å
524	H	94	Very high	95.3	Very high	38 Å²	38	37.7 Å²	37.7	18%	0.176	18%	0.184	C	C	.	.	S	Bend	trans	-60.1	-37.2	-179.6	178	61.6	0	0	0	112.2	F289 H322 F459 R520 D528	F289-H524 VanDerWaalsContact CD1-O 3.23Å; F289-H524 WeakPolarHBondContact CD1-O 3.22Å; F289-H524 AromaticContact CE1-CD2 3.88Å; F289-H524 AromaticContact CE1-NE2 3.59Å; H322-H524 AromaticContact CE1-CE1 3.95Å; H322-H524 AromaticContact NE2-CE1 3.47Å; H322-H524 PolarHBondContact NE2-CE1 3.04Å; F459-H524 HydrophobicContact CD2-CB 3.83Å; F459-H524 AromaticContact CD2-CD2 3.13Å; F459-H524 WeakPolarHBondContact CD2-CD2 3.41Å; F459-H524 AromaticContact CD2-CG 3.4Å; F459-H524 VanDerWaalsContact CD2-CG 3.4Å; F459-H524 AromaticContact CD2-NE2 3.72Å; F459-H524 HydrophobicContact CE2-CB 4.05Å; F459-H524 AromaticContact CE2-CD2 3.33Å; F459-H524 WeakPolarHBondContact CE2-CD2 3.41Å; F459-H524 AromaticContact CE2-CG 3.85Å; F459-H524 HydrophobicContact CG-CB 4.17Å; R520-H524 VanDerWaalsContact NH2-N 3.18Å; H524-D528 PolarHBondContact N-OD2 3.39Å
525	N	91.7	Very high	95.1	Very high	18 Å²	18	40.1 Å²	40.1	10%	0.096	20%	0.2	C	C	.	.	S	Bend	trans	-120.9	169.8	158.2	62.8	85.6	0	0	0	108.2	K287 F289 G523 M527 D528	K287-N525 HydrophobicContact CB-CB 4.45Å; K287-N525 HydrophobicContact CD-CB 4.09Å; K287-N525 HydrophobicContact CG-CB 4Å; F289-N525 HydrophobicContact CE1-CB 4.09Å; F289-N525 HydrophobicContact CZ-CB 4.48Å; G523-N525 CarbonylContact C-O 3.25Å; G523-N525 VanDerWaalsContact C-O 3.25Å; G523-N525 WeakPolarHBondContact CA-O 3.35Å; G523-N525 PolarHBondContact O-N 2.95Å; N525-M527 PolarHBondContact O-N 3.39Å; N525-M527 VanDerWaalsContact O-N 3.13Å; N525-M527 PolarHBondContact OD1-N 2.95Å; N525-D528 WeakPolarHBondContact O-CB 3.5Å; N525-D528 PolarHBondContact O-N 3.17Å; N525-D528 VanDerWaalsContact O-N 3.1Å; N525-D528 PolarHBondContact OD1-N 2.76Å
526	E	91.8	Very high	94.7	Very high	29 Å²	29	46.4 Å²	46.4	14%	0.136	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-13	-169.5	-64.6	83.8	-169.6	0	0	114.8	R288 F289 G290 N522	R288-E526 HydrophobicContact CG-CG 4.47Å; R288-E526 VanDerWaalsContact CG-OE1 3.24Å; R288-E526 WeakPolarHBondContact CG-OE1 3.49Å; R288-E526 IonicContact CZ-OE1 3.75Å; R288-E526 PolarHBondContact N-OE2 3.17Å; R288-E526 IonicContact NE-OE1 3.78Å; F289-E526 WeakPolarHBondContact CA-OE1 3.2Å; F289-E526 PolarHBondContact N-OE1 3.48Å; F289-E526 PolarHBondContact N-OE2 3.33Å; G290-E526 PolarHBondContact N-OE1 2.97Å; N522-E526 HydrophobicContact CB-CG 4.35Å
527	M	89.8	Confident	94.5	Very high	125 Å²	125	47.2 Å²	47.2	62%	0.616	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.5	-6.6	176.5	-62.1	-60.4	-62.5	0	0	113.4	N525	N525-M527 PolarHBondContact O-N 3.39Å; N525-M527 VanDerWaalsContact O-N 3.13Å; N525-M527 PolarHBondContact OD1-N 2.95Å
528	D	93.8	Very high	94.3	Very high	45 Å²	45	47 Å²	47	24%	0.241	24%	0.235	C	C	.	.			trans	-83.6	138.7	-179.1	-175.4	49.6	0	0	0	110.7	H524 N525 P530	H524-D528 PolarHBondContact N-OD2 3.39Å; N525-D528 WeakPolarHBondContact O-CB 3.5Å; N525-D528 PolarHBondContact O-N 3.17Å; N525-D528 VanDerWaalsContact O-N 3.1Å; N525-D528 PolarHBondContact OD1-N 2.76Å; D528-P530 WeakPolarHBondContact O-CD 3.34Å
529	E	95.7	Very high	94.2	Very high	74 Å²	74	52.5 Å²	52.5	35%	0.346	26%	0.259	S	S	.	.			trans	-99.1	98.7	179.8	175.5	52.7	-99.7	0	0	110.5	M531 F532	E529-M531 VanDerWaalsContact C-N 3.3Å; E529-M531 PolarHBondContact O-N 2.76Å; E529-M531 WeakPolarHBondContact OE1-CB 3.46Å; E529-M531 VanDerWaalsContact OE1-CG 3.32Å; E529-M531 WeakPolarHBondContact OE1-CG 3.45Å; E529-M531 PolarHBondContact OE1-N 3.06Å; E529-F532 HydrophobicContact CB-CD2 4.06Å; E529-F532 HydrophobicContact CB-CE1 4.45Å; E529-F532 HydrophobicContact CB-CE2 3.72Å; E529-F532 HydrophobicContact CB-CZ 3.93Å; E529-F532 HydrophobicContact CG-CD1 4.01Å; E529-F532 HydrophobicContact CG-CD2 4.17Å; E529-F532 HydrophobicContact CG-CE1 3.74Å; E529-F532 HydrophobicContact CG-CE2 3.93Å; E529-F532 HydrophobicContact CG-CG 4.22Å; E529-F532 HydrophobicContact CG-CZ 3.7Å; E529-F532 WeakPolarHBondContact O-CD2 3.43Å
530	P	95	Very high	94.1	Very high	11 Å²	11	55.5 Å²	55.5	7%	0.071	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-76.7	-15.5	-171.7	31	-37.2	0	0	0	113.8	D528 F532 T533 Q534 Y538	D528-P530 WeakPolarHBondContact O-CD 3.34Å; P530-F532 PolarHBondContact O-N 3.12Å; P530-T533 PolarHBondContact O-N 2.78Å; P530-Q534 PolarHBondContact O-N 2.92Å; P530-Y538 HydrophobicContact CB-CD1 4.06Å; P530-Y538 HydrophobicContact CB-CD2 3.71Å; P530-Y538 HydrophobicContact CB-CE1 3.69Å; P530-Y538 HydrophobicContact CB-CE2 3.32Å; P530-Y538 HydrophobicContact CB-CG 4.04Å; P530-Y538 HydrophobicContact CG-CD1 3.37Å; P530-Y538 HydrophobicContact CG-CD2 3.96Å; P530-Y538 HydrophobicContact CG-CE1 3.17Å; P530-Y538 HydrophobicContact CG-CE2 3.8Å; P530-Y538 HydrophobicContact CG-CG 3.73Å
531	M	95.3	Very high	94	Very high	49 Å²	49	54.9 Å²	54.9	24%	0.241	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-69.5	-12.5	179.4	-65.3	-168.4	65.9	0	0	113.2	E529 T533 P535 K539 R542	E529-M531 VanDerWaalsContact C-N 3.3Å; E529-M531 PolarHBondContact O-N 2.76Å; E529-M531 WeakPolarHBondContact OE1-CB 3.46Å; E529-M531 VanDerWaalsContact OE1-CG 3.32Å; E529-M531 WeakPolarHBondContact OE1-CG 3.45Å; E529-M531 PolarHBondContact OE1-N 3.06Å; M531-T533 PolarHBondContact O-N 3.16Å; M531-P535 HydrophobicContact CE-CB 4.47Å; M531-K539 HydrophobicContact CE-CG 3.96Å; M531-R542 PolarHBondContact SD-NH2 3.23Å
532	F	96.7	Very high	94	Very high	177 Å²	177	60.1 Å²	60.1	78%	0.776	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-62.4	-31	172	-64.2	-24.6	0	0	0	112.7	E529 P530	E529-F532 HydrophobicContact CB-CD2 4.06Å; E529-F532 HydrophobicContact CB-CE1 4.45Å; E529-F532 HydrophobicContact CB-CE2 3.72Å; E529-F532 HydrophobicContact CB-CZ 3.93Å; E529-F532 HydrophobicContact CG-CD1 4.01Å; E529-F532 HydrophobicContact CG-CD2 4.17Å; E529-F532 HydrophobicContact CG-CE1 3.74Å; E529-F532 HydrophobicContact CG-CE2 3.93Å; E529-F532 HydrophobicContact CG-CG 4.22Å; E529-F532 HydrophobicContact CG-CZ 3.7Å; E529-F532 WeakPolarHBondContact O-CD2 3.43Å; P530-F532 PolarHBondContact O-N 3.12Å
533	T	94.1	Very high	94	Very high	67 Å²	67	65.7 Å²	65.7	41%	0.411	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.1	-31.1	-176.6	47.5	0	0	0	0	113.3	T460 P530 M531 P535	T460-T533 HydrophobicContact CG2-CG2 4.17Å; P530-T533 PolarHBondContact O-N 2.78Å; M531-T533 PolarHBondContact O-N 3.16Å; T533-P535 WeakPolarHBondContact O-CD 3.37Å
534	Q	94.3	Very high	94.1	Very high	22 Å²	22	66.8 Å²	66.8	10%	0.103	32%	0.316	C	S	.	.			trans	-122	53.8	-178.7	-76.5	74.4	43.9	0	0	113.6	I457 T460 P530 L536 M537 Y538	I457-Q534 HydrophobicContact CD1-CB 4.45Å; I457-Q534 HydrophobicContact CD1-CG 3.79Å; I457-Q534 VanDerWaalsContact CD1-OE1 3.3Å; T460-Q534 PolarHBondContact O-NE2 3.49Å; P530-Q534 PolarHBondContact O-N 2.92Å; Q534-L536 PolarHBondContact O-N 3.42Å; Q534-M537 HydrophobicContact CB-CB 4.2Å; Q534-M537 HydrophobicContact CB-SD 4.43Å; Q534-M537 HydrophobicContact CG-SD 4.41Å; Q534-M537 PolarHBondContact O-N 2.77Å; Q534-Y538 HydrophobicContact CB-CD2 3.81Å; Q534-Y538 HydrophobicContact CB-CE2 4.08Å; Q534-Y538 WeakPolarHBondContact O-CD2 3.35Å; Q534-Y538 PolarHBondContact O-N 3.48Å
535	P	93.4	Very high	94.1	Very high	52 Å²	52	68.2 Å²	68.2	34%	0.338	32%	0.322	S	S	.	.	H	α-helix	trans	-62.9	-35.5	-172.3	24.8	-34.6	0	0	0	114.1	M531 T533 K539	M531-P535 HydrophobicContact CE-CB 4.47Å; T533-P535 WeakPolarHBondContact O-CD 3.37Å; P535-K539 WeakPolarHBondContact O-CB 3.4Å; P535-K539 WeakPolarHBondContact O-CG 3.42Å; P535-K539 PolarHBondContact O-N 2.9Å
536	L	91.6	Very high	94.3	Very high	132 Å²	132	69.6 Å²	69.6	69%	0.691	33%	0.331	S	S	*	.	H	α-helix	trans	-74.6	-45.4	-178.5	-62.7	-177.1	0	0	0	112.1	Q534 Y538 K539 Q540	Q534-L536 PolarHBondContact O-N 3.42Å; L536-Y538 VanDerWaalsContact C-N 3.33Å; L536-Y538 PolarHBondContact O-N 3.32Å; L536-K539 PolarHBondContact O-N 3.03Å; L536-Q540 PolarHBondContact O-N 3.13Å; L536-Q540 VanDerWaalsContact O-N 3.14Å
537	M	93.1	Very high	94.5	Very high	17 Å²	17	68.3 Å²	68.3	8%	0.084	33%	0.325	C	S	.	.	H	α-helix	trans	-56.5	-48.2	174.3	-178.3	-174.2	-173.4	0	0	110.5	L150 I152 N455 Q456 I457 Q534 K539 Q540 I541	L150-M537 HydrophobicContact CD1-CE 3.96Å; L150-M537 HydrophobicContact CD1-CG 3.82Å; I152-M537 HydrophobicContact CD1-CB 4.02Å; I152-M537 HydrophobicContact CD1-CG 3.78Å; N455-M537 WeakPolarHBondContact O-CE 3.33Å; Q456-M537 HydrophobicContact CB-CE 4.04Å; I457-M537 HydrophobicContact CB-CE 4.39Å; I457-M537 HydrophobicContact CG2-CE 4.17Å; Q534-M537 HydrophobicContact CB-CB 4.2Å; Q534-M537 HydrophobicContact CB-SD 4.43Å; Q534-M537 HydrophobicContact CG-SD 4.41Å; Q534-M537 PolarHBondContact O-N 2.77Å; M537-K539 PolarHBondContact O-N 3.35Å; M537-Q540 WeakPolarHBondContact O-CA 3.36Å; M537-Q540 WeakPolarHBondContact O-CB 3.4Å; M537-Q540 PolarHBondContact O-N 3.19Å; M537-Q540 VanDerWaalsContact O-N 3.08Å; M537-I541 HydrophobicContact CE-CD1 4.15Å; M537-I541 HydrophobicContact CG-CD1 3.82Å; M537-I541 WeakPolarHBondContact O-CG1 3.36Å; M537-I541 PolarHBondContact O-N 2.84Å; M537-I541 HydrophobicContact SD-CD1 4.5Å
538	Y	95.3	Very high	94.9	Very high	6 Å²	6	62.7 Å²	62.7	2%	0.024	30%	0.298	C	S	.	.	H	α-helix	trans	-74.1	-26.8	-177.7	-82.8	-93	0	0	0	114	I457 R520 N522 P530 Q534 L536 Q540 I541 R542	I457-Y538 HydrophobicContact CD1-CE2 4.44Å; R520-Y538 PolarHBondContact NE-OH 3.32Å; R520-Y538 PolarHBondContact NH2-OH 2.95Å; R520-Y538 WeakPolarHBondContact O-CE1 3.3Å; N522-Y538 WeakPolarHBondContact O-CE1 3.38Å; N522-Y538 PolarHBondContact O-OH 3.24Å; P530-Y538 HydrophobicContact CB-CD1 4.06Å; P530-Y538 HydrophobicContact CB-CD2 3.71Å; P530-Y538 HydrophobicContact CB-CE1 3.69Å; P530-Y538 HydrophobicContact CB-CE2 3.32Å; P530-Y538 HydrophobicContact CB-CG 4.04Å; P530-Y538 HydrophobicContact CG-CD1 3.37Å; P530-Y538 HydrophobicContact CG-CD2 3.96Å; P530-Y538 HydrophobicContact CG-CE1 3.17Å; P530-Y538 HydrophobicContact CG-CE2 3.8Å; P530-Y538 HydrophobicContact CG-CG 3.73Å; Q534-Y538 HydrophobicContact CB-CD2 3.81Å; Q534-Y538 HydrophobicContact CB-CE2 4.08Å; Q534-Y538 WeakPolarHBondContact O-CD2 3.35Å; Q534-Y538 PolarHBondContact O-N 3.48Å; L536-Y538 VanDerWaalsContact C-N 3.33Å; L536-Y538 PolarHBondContact O-N 3.32Å; Y538-Q540 VanDerWaalsContact C-N 3.26Å; Y538-Q540 PolarHBondContact O-N 3.33Å; Y538-I541 HydrophobicContact CD1-CD1 4.05Å; Y538-I541 HydrophobicContact CD2-CD1 4.26Å; Y538-I541 HydrophobicContact CE1-CD1 4.06Å; Y538-I541 HydrophobicContact CE2-CD1 4.28Å; Y538-I541 HydrophobicContact CG-CD1 4.18Å; Y538-I541 PolarHBondContact O-N 3.27Å; Y538-R542 WeakPolarHBondContact O-CB 3.42Å; Y538-R542 VanDerWaalsContact O-CG 3.3Å; Y538-R542 WeakPolarHBondContact O-CG 3.31Å; Y538-R542 PolarHBondContact O-N 2.89Å
539	K	94.8	Very high	95	Very high	115 Å²	115	64.4 Å²	64.4	50%	0.5	30%	0.304	S	S	.	.	H	α-helix	trans	-61.2	-37.4	166.1	-80.9	171.5	-175.9	179.2	0	111.7	M531 P535 L536 M537	M531-K539 HydrophobicContact CE-CG 3.96Å; P535-K539 WeakPolarHBondContact O-CB 3.4Å; P535-K539 WeakPolarHBondContact O-CG 3.42Å; P535-K539 PolarHBondContact O-N 2.9Å; L536-K539 PolarHBondContact O-N 3.03Å; M537-K539 PolarHBondContact O-N 3.35Å
540	Q	94.5	Very high	95	Very high	62 Å²	62	63.8 Å²	63.8	29%	0.29	30%	0.301	S	S	.	.	H	α-helix	trans	-73.1	-45.9	176.5	-172.3	65.1	-3.6	0	0	111.4	L150 I152 L536 M537 Y538 R542 K543 Q544	L150-Q540 HydrophobicContact CB-CG 4.16Å; L150-Q540 VanDerWaalsContact O-CG 3.28Å; L150-Q540 WeakPolarHBondContact O-CG 3.21Å; L150-Q540 PolarHBondContact O-NE2 3.09Å; I152-Q540 HydrophobicContact CG2-CB 4.2Å; I152-Q540 HydrophobicContact CG2-CG 3.95Å; L536-Q540 PolarHBondContact O-N 3.13Å; L536-Q540 VanDerWaalsContact O-N 3.14Å; M537-Q540 WeakPolarHBondContact O-CA 3.36Å; M537-Q540 WeakPolarHBondContact O-CB 3.4Å; M537-Q540 PolarHBondContact O-N 3.19Å; M537-Q540 VanDerWaalsContact O-N 3.08Å; Y538-Q540 VanDerWaalsContact C-N 3.26Å; Y538-Q540 PolarHBondContact O-N 3.33Å; Q540-R542 VanDerWaalsContact C-N 3.3Å; Q540-R542 PolarHBondContact O-N 3.24Å; Q540-K543 WeakPolarHBondContact O-CB 3.19Å; Q540-K543 PolarHBondContact O-N 3.21Å; Q540-Q544 PolarHBondContact O-N 3.39Å
541	I	95.8	Very high	95.2	Very high	1 Å²	1	63.5 Å²	63.5	1%	0.005	30%	0.298	C	S	.	.	H	α-helix	trans	-55.3	-44.7	175.5	-68.8	165.2	0	0	0	110.9	L150 Y519 R521 M537 Y538 K543 Q544	L150-I541 HydrophobicContact CD1-CD1 4.19Å; L150-I541 HydrophobicContact CD1-CG1 3.87Å; L150-I541 HydrophobicContact CD2-CG1 3.67Å; L150-I541 HydrophobicContact CG-CG1 4.45Å; Y519-I541 HydrophobicContact CD2-CB 4.47Å; Y519-I541 HydrophobicContact CD2-CD1 4.38Å; Y519-I541 HydrophobicContact CD2-CG1 3.97Å; Y519-I541 HydrophobicContact CD2-CG2 3.82Å; Y519-I541 HydrophobicContact CE2-CG2 4.05Å; Y519-I541 HydrophobicContact CG-CG1 4.28Å; R521-I541 PolarHBondContact NH1-O 3.38Å; M537-I541 HydrophobicContact CE-CD1 4.15Å; M537-I541 HydrophobicContact CG-CD1 3.82Å; M537-I541 WeakPolarHBondContact O-CG1 3.36Å; M537-I541 PolarHBondContact O-N 2.84Å; M537-I541 HydrophobicContact SD-CD1 4.5Å; Y538-I541 HydrophobicContact CD1-CD1 4.05Å; Y538-I541 HydrophobicContact CD2-CD1 4.26Å; Y538-I541 HydrophobicContact CE1-CD1 4.06Å; Y538-I541 HydrophobicContact CE2-CD1 4.28Å; Y538-I541 HydrophobicContact CG-CD1 4.18Å; Y538-I541 PolarHBondContact O-N 3.27Å; I541-K543 PolarHBondContact O-N 3.32Å; I541-K543 VanDerWaalsContact O-N 3.1Å; I541-Q544 WeakPolarHBondContact O-CB 3.48Å; I541-Q544 PolarHBondContact O-N 3.2Å
542	R	95.3	Very high	95.3	Very high	168 Å²	168	61.5 Å²	61.5	63%	0.634	29%	0.289	S	S	*	.	H	α-helix	trans	-58.4	-25.3	177.8	-75.6	-180	-169.7	-131.3	5.2	113.8	M531 Y538 Q540	M531-R542 PolarHBondContact SD-NH2 3.23Å; Y538-R542 WeakPolarHBondContact O-CB 3.42Å; Y538-R542 VanDerWaalsContact O-CG 3.3Å; Y538-R542 WeakPolarHBondContact O-CG 3.31Å; Y538-R542 PolarHBondContact O-N 2.89Å; Q540-R542 VanDerWaalsContact C-N 3.3Å; Q540-R542 PolarHBondContact O-N 3.24Å
543	K	95	Very high	95.3	Very high	167 Å²	167	57.3 Å²	57.3	73%	0.726	27%	0.272	S	S	*	.	H	α-helix	trans	-88.8	-14.7	174.7	-62.2	175	-176.3	177.9	0	113.1	Q540 I541 K545	Q540-K543 WeakPolarHBondContact O-CB 3.19Å; Q540-K543 PolarHBondContact O-N 3.21Å; I541-K543 PolarHBondContact O-N 3.32Å; I541-K543 VanDerWaalsContact O-N 3.1Å; K543-K545 PolarHBondContact O-N 3.43Å
544	Q	94.3	Very high	95.4	Very high	27 Å²	27	57.3 Å²	57.3	13%	0.126	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-69.9	122	-177	-75.8	-63.8	-11.7	0	0	111.6	P149 L150 R521 Q540 I541 K550	P149-Q544 PolarHBondContact O-NE2 2.9Å; L150-Q544 HydrophobicContact CD2-CG 3.65Å; R521-Q544 PolarHBondContact NH1-O 3.06Å; R521-Q544 PolarHBondContact NH2-O 3.42Å; Q540-Q544 PolarHBondContact O-N 3.39Å; I541-Q544 WeakPolarHBondContact O-CB 3.48Å; I541-Q544 PolarHBondContact O-N 3.2Å; Q544-K550 VanDerWaalsContact OE1-NZ 3.14Å
545	K	95.6	Very high	95.5	Very high	69 Å²	69	56.3 Å²	56.3	30%	0.3	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-65.9	131.8	169.5	-171.7	175.7	-162.4	160	0	110	K543 Q549 K550 E553	K543-K545 PolarHBondContact O-N 3.43Å; K545-Q549 HydrophobicContact CD-CG 4.5Å; K545-Q549 VanDerWaalsContact CE-CG 3.42Å; K545-Q549 HydrophobicContact CG-CB 4.17Å; K545-Q549 HydrophobicContact CG-CG 4.39Å; K545-K550 HydrophobicContact CB-CG 4.2Å; K545-K550 HydrophobicContact CD-CG 3.98Å; K545-K550 HydrophobicContact CG-CG 4.04Å; K545-K550 WeakPolarHBondContact O-CE 3.46Å; K545-E553 WeakPolarHBondContact CE-OE1 3.18Å; K545-E553 WeakPolarHBondContact CE-OE2 3.24Å; K545-E553 IonicContact NZ-OE1 2.6Å; K545-E553 PolarHBondContact NZ-OE1 3.05Å; K545-E553 IonicContact NZ-OE2 2.57Å; K545-E553 PolarHBondContact NZ-OE2 3.48Å
546	P	95.1	Very high	95.7	Very high	46 Å²	46	56.7 Å²	56.7	30%	0.299	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-60.1	147.6	178.7	-24.8	34.8	0	0	0	113.2	L548 Q549 K550	P546-L548 VanDerWaalsContact C-N 3.33Å; P546-L548 PolarHBondContact O-N 3.06Å; P546-Q549 PolarHBondContact O-N 2.89Å; P546-Q549 VanDerWaalsContact O-N 3.1Å; P546-K550 PolarHBondContact O-N 3.47Å; P546-K550 VanDerWaalsContact O-N 3.09Å
547	V	96.6	Very high	95.9	Very high	2 Å²	2	54.9 Å²	54.9	1%	0.012	26%	0.264	C	S	.	.	H	α-helix	trans	-60.3	-39.1	-176.4	66.2	0	0	0	0	112.9	L269 E295 P491 Q549 K550 Y551	L269-V547 HydrophobicContact CD2-CG1 4.33Å; E295-V547 HydrophobicContact CB-CG1 4.03Å; P491-V547 HydrophobicContact CG-CG2 3.52Å; V547-Q549 VanDerWaalsContact C-N 3.27Å; V547-Q549 PolarHBondContact O-N 3.15Å; V547-K550 PolarHBondContact O-N 3.17Å; V547-Y551 WeakPolarHBondContact O-CB 3.45Å; V547-Y551 PolarHBondContact O-N 3.37Å
548	L	97.4	Very high	96.1	Very high	7 Å²	7	58.3 Å²	58.3	4%	0.037	28%	0.28	C	S	.	.	H	α-helix	trans	-57.8	-42.8	176.3	175.2	61.3	0	0	0	111.4	L266 L269 V270 T273 P546 Y551 A552 Y566	L266-L548 HydrophobicContact CD1-CD1 3.86Å; L269-L548 HydrophobicContact CB-CD1 3.91Å; V270-L548 HydrophobicContact CG2-CD1 3.74Å; V270-L548 HydrophobicContact CG2-CD2 4.3Å; T273-L548 HydrophobicContact CG2-CB 4.38Å; T273-L548 HydrophobicContact CG2-CD2 4Å; P546-L548 VanDerWaalsContact C-N 3.33Å; P546-L548 PolarHBondContact O-N 3.06Å; L548-Y551 PolarHBondContact O-N 2.9Å; L548-A552 VanDerWaalsContact O-CB 3.28Å; L548-A552 WeakPolarHBondContact O-CB 3.14Å; L548-A552 PolarHBondContact O-N 3.32Å; L548-Y566 HydrophobicContact CD1-CE2 4.11Å; L548-Y566 HydrophobicContact CG-CE2 4.28Å
549	Q	96.4	Very high	96.1	Very high	81 Å²	81	61.1 Å²	61.1	38%	0.379	31%	0.311	S	S	.	.	H	α-helix	trans	-70.3	-43.1	-179.3	-164.3	-173.7	-2.6	0	0	111.3	K545 P546 V547 Y551 A552 E553	K545-Q549 HydrophobicContact CD-CG 4.5Å; K545-Q549 VanDerWaalsContact CE-CG 3.42Å; K545-Q549 HydrophobicContact CG-CB 4.17Å; K545-Q549 HydrophobicContact CG-CG 4.39Å; P546-Q549 PolarHBondContact O-N 2.89Å; P546-Q549 VanDerWaalsContact O-N 3.1Å; V547-Q549 VanDerWaalsContact C-N 3.27Å; V547-Q549 PolarHBondContact O-N 3.15Å; Q549-Y551 VanDerWaalsContact C-N 3.3Å; Q549-Y551 PolarHBondContact O-N 2.94Å; Q549-A552 PolarHBondContact O-N 3.01Å; Q549-E553 PolarHBondContact NE2-OE1 3.22Å; Q549-E553 WeakPolarHBondContact O-CG 3.46Å; Q549-E553 PolarHBondContact O-N 3.31Å; Q549-E553 VanDerWaalsContact O-N 3.12Å
550	K	96.5	Very high	96.2	Very high	62 Å²	62	56 Å²	56	27%	0.27	29%	0.289	S	S	.	.	H	α-helix	trans	-55.5	-46.9	174.6	-70.1	178.1	176.6	176.1	0	111	D489 Q544 K545 P546 V547 L554	D489-K550 HydrophobicContact CB-CD 4.45Å; D489-K550 IonicContact OD2-NZ 3.55Å; D489-K550 PolarHBondContact OD2-NZ 2.97Å; Q544-K550 VanDerWaalsContact OE1-NZ 3.14Å; K545-K550 HydrophobicContact CB-CG 4.2Å; K545-K550 HydrophobicContact CD-CG 3.98Å; K545-K550 HydrophobicContact CG-CG 4.04Å; K545-K550 WeakPolarHBondContact O-CE 3.46Å; P546-K550 PolarHBondContact O-N 3.47Å; P546-K550 VanDerWaalsContact O-N 3.09Å; V547-K550 PolarHBondContact O-N 3.17Å; K550-L554 PolarHBondContact O-N 3.33Å
551	Y	97.8	Very high	96.2	Very high	5 Å²	5	53.4 Å²	53.4	2%	0.02	28%	0.278	C	S	.	.	H	α-helix	trans	-74.2	-38.8	-176.9	-169.5	-115.6	0	0	0	113.1	K262 L265 L266 L269 P491 E492 V547 L548 Q549 E553 L554 L555	K262-Y551 VanDerWaalsContact CA-OH 3.24Å; K262-Y551 WeakPolarHBondContact CA-OH 3.5Å; K262-Y551 WeakPolarHBondContact CB-OH 3.49Å; K262-Y551 PolarHBondContact O-OH 2.99Å; L265-Y551 HydrophobicContact CB-CE1 4.14Å; L265-Y551 HydrophobicContact CD2-CE1 3.96Å; L265-Y551 HydrophobicContact CD2-CE2 4.11Å; L265-Y551 WeakPolarHBondContact CD2-OH 3.44Å; L265-Y551 HydrophobicContact CG-CD1 4.49Å; L265-Y551 HydrophobicContact CG-CE1 3.72Å; L266-Y551 HydrophobicContact CB-CD1 4.31Å; L266-Y551 HydrophobicContact CB-CE1 4.04Å; L266-Y551 HydrophobicContact CD1-CD1 4.13Å; L269-Y551 HydrophobicContact CD1-CD1 3.72Å; L269-Y551 HydrophobicContact CD1-CE1 4.41Å; L269-Y551 HydrophobicContact CD1-CG 4.12Å; P491-Y551 HydrophobicContact CB-CD2 4.38Å; P491-Y551 HydrophobicContact CG-CD2 4.2Å; P491-Y551 HydrophobicContact CG-CG 4.22Å; E492-Y551 HydrophobicContact CG-CE2 3.93Å; V547-Y551 WeakPolarHBondContact O-CB 3.45Å; V547-Y551 PolarHBondContact O-N 3.37Å; L548-Y551 PolarHBondContact O-N 2.9Å; Q549-Y551 VanDerWaalsContact C-N 3.3Å; Q549-Y551 PolarHBondContact O-N 2.94Å; Y551-E553 VanDerWaalsContact C-N 3.35Å; Y551-E553 PolarHBondContact O-N 3.26Å; Y551-L554 HydrophobicContact CD2-CD2 4.16Å; Y551-L554 HydrophobicContact CE2-CD2 4.31Å; Y551-L554 WeakPolarHBondContact O-CB 3.47Å; Y551-L554 PolarHBondContact O-N 3.33Å; Y551-L555 HydrophobicContact CD1-CD1 4.08Å; Y551-L555 HydrophobicContact CD1-CG 4.38Å; Y551-L555 HydrophobicContact CE1-CD1 3.55Å; Y551-L555 HydrophobicContact CE1-CD2 4.4Å; Y551-L555 HydrophobicContact CE1-CG 4.03Å; Y551-L555 HydrophobicContact CE2-CD2 4.19Å; Y551-L555 HydrophobicContact CE2-CG 4.37Å; Y551-L555 WeakPolarHBondContact O-CG 3.22Å; Y551-L555 PolarHBondContact O-N 3.2Å
552	A	97.3	Very high	96.2	Very high	6 Å²	6	57 Å²	57	5%	0.05	30%	0.297	C	S	.	.	H	α-helix	trans	-59.6	-45.2	175.1	0	0	0	0	0	111.7	L266 L548 Q549 L554 L555 V556 Y566	L266-A552 HydrophobicContact CD1-CB 4.21Å; L548-A552 VanDerWaalsContact O-CB 3.28Å; L548-A552 WeakPolarHBondContact O-CB 3.14Å; L548-A552 PolarHBondContact O-N 3.32Å; Q549-A552 PolarHBondContact O-N 3.01Å; A552-L554 VanDerWaalsContact C-N 3.33Å; A552-L554 PolarHBondContact O-N 2.88Å; A552-L555 PolarHBondContact O-N 3.02Å; A552-V556 VanDerWaalsContact O-CG2 3.32Å; A552-V556 WeakPolarHBondContact O-CG2 3.48Å; A552-V556 PolarHBondContact O-N 2.84Å; A552-Y566 HydrophobicContact CB-CD2 3.92Å; A552-Y566 HydrophobicContact CB-CE1 4.29Å; A552-Y566 HydrophobicContact CB-CE2 3.67Å; A552-Y566 HydrophobicContact CB-CG 4.32Å
553	E	96.8	Very high	96.1	Very high	89 Å²	89	53.4 Å²	53.4	42%	0.416	29%	0.287	S	S	.	.	H	α-helix	trans	-63.8	-38.2	176.9	-72.5	171.8	-171.7	0	0	112.7	K545 Q549 Y551 V556 S557	K545-E553 WeakPolarHBondContact CE-OE1 3.18Å; K545-E553 WeakPolarHBondContact CE-OE2 3.24Å; K545-E553 IonicContact NZ-OE1 2.6Å; K545-E553 PolarHBondContact NZ-OE1 3.05Å; K545-E553 IonicContact NZ-OE2 2.57Å; K545-E553 PolarHBondContact NZ-OE2 3.48Å; Q549-E553 PolarHBondContact NE2-OE1 3.22Å; Q549-E553 WeakPolarHBondContact O-CG 3.46Å; Q549-E553 PolarHBondContact O-N 3.31Å; Q549-E553 VanDerWaalsContact O-N 3.12Å; Y551-E553 VanDerWaalsContact C-N 3.35Å; Y551-E553 PolarHBondContact O-N 3.26Å; E553-V556 PolarHBondContact O-N 2.55Å; E553-S557 WeakPolarHBondContact O-CB 3.42Å; E553-S557 PolarHBondContact O-N 3.32Å; E553-S557 PolarHBondContact O-OG 3.27Å
554	L	96.3	Very high	96.2	Very high	68 Å²	68	49.5 Å²	49.5	36%	0.356	28%	0.279	S	S	.	.	H	α-helix	trans	-58.8	-50.1	173	-179.2	66.1	0	0	0	110.9	K550 Y551 A552 V556 S557 Q558	K550-L554 PolarHBondContact O-N 3.33Å; Y551-L554 HydrophobicContact CD2-CD2 4.16Å; Y551-L554 HydrophobicContact CE2-CD2 4.31Å; Y551-L554 WeakPolarHBondContact O-CB 3.47Å; Y551-L554 PolarHBondContact O-N 3.33Å; A552-L554 VanDerWaalsContact C-N 3.33Å; A552-L554 PolarHBondContact O-N 2.88Å; L554-V556 VanDerWaalsContact C-N 3.33Å; L554-V556 PolarHBondContact O-N 3.38Å; L554-S557 PolarHBondContact O-N 3.08Å; L554-S557 PolarHBondContact O-OG 3.02Å; L554-Q558 WeakPolarHBondContact O-CG 3.23Å; L554-Q558 PolarHBondContact O-N 2.92Å
555	L	97.4	Very high	96.2	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-64.8	-36	-179.3	-66.1	-171.4	0	0	0	113	K262 L266 Y551 A552 Q558 G559 V560 V561	K262-L555 HydrophobicContact CB-CD1 4.46Å; K262-L555 HydrophobicContact CB-CD2 3.79Å; K262-L555 HydrophobicContact CD-CD2 3.78Å; K262-L555 HydrophobicContact CG-CD2 4.11Å; L266-L555 HydrophobicContact CB-CD1 3.85Å; L266-L555 HydrophobicContact CD1-CD1 4.47Å; L266-L555 HydrophobicContact CD2-CD1 4.01Å; L266-L555 HydrophobicContact CG-CD1 4.33Å; Y551-L555 HydrophobicContact CD1-CD1 4.08Å; Y551-L555 HydrophobicContact CD1-CG 4.38Å; Y551-L555 HydrophobicContact CE1-CD1 3.55Å; Y551-L555 HydrophobicContact CE1-CD2 4.4Å; Y551-L555 HydrophobicContact CE1-CG 4.03Å; Y551-L555 HydrophobicContact CE2-CD2 4.19Å; Y551-L555 HydrophobicContact CE2-CG 4.37Å; Y551-L555 WeakPolarHBondContact O-CG 3.22Å; Y551-L555 PolarHBondContact O-N 3.2Å; A552-L555 PolarHBondContact O-N 3.02Å; L555-Q558 PolarHBondContact O-N 3.32Å; L555-G559 PolarHBondContact O-N 3.36Å; L555-G559 VanDerWaalsContact O-N 3.16Å; L555-V560 HydrophobicContact CB-CB 4.3Å; L555-V560 HydrophobicContact CD2-CB 4.17Å; L555-V560 HydrophobicContact CD2-CG1 4.29Å; L555-V560 HydrophobicContact CD2-CG2 4.36Å; L555-V560 PolarHBondContact O-N 3.29Å; L555-V561 HydrophobicContact CB-CB 4.35Å; L555-V561 HydrophobicContact CB-CG2 4.32Å; L555-V561 HydrophobicContact CD1-CG2 4.13Å
556	V	96.6	Very high	96.1	Very high	60 Å²	60	49.1 Å²	49.1	36%	0.364	28%	0.277	S	S	.	.	H	α-helix	trans	-65.9	-44.9	173.8	172.4	0	0	0	0	110.8	A552 E553 L554 Q558 G559 V561	A552-V556 VanDerWaalsContact O-CG2 3.32Å; A552-V556 WeakPolarHBondContact O-CG2 3.48Å; A552-V556 PolarHBondContact O-N 2.84Å; E553-V556 PolarHBondContact O-N 2.55Å; L554-V556 VanDerWaalsContact C-N 3.33Å; L554-V556 PolarHBondContact O-N 3.38Å; V556-Q558 PolarHBondContact O-N 2.86Å; V556-G559 PolarHBondContact O-N 3.24Å; V556-V561 WeakPolarHBondContact CA-O 3.27Å; V556-V561 WeakPolarHBondContact CG2-O 3.36Å
557	S	96.8	Very high	96.2	Very high	94 Å²	94	52 Å²	52	66%	0.657	29%	0.286	S	S	*	.	H	α-helix	trans	-62.6	-29.9	177.6	76.6	0	0	0	0	113.1	E553 L554	E553-S557 WeakPolarHBondContact O-CB 3.42Å; E553-S557 PolarHBondContact O-N 3.32Å; E553-S557 PolarHBondContact O-OG 3.27Å; L554-S557 PolarHBondContact O-N 3.08Å; L554-S557 PolarHBondContact O-OG 3.02Å
558	Q	95.8	Very high	96.2	Very high	89 Å²	89	56.8 Å²	56.8	42%	0.416	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-4.2	176.6	-67.9	177.1	4	0	0	113.2	L554 L555 V556 V560	L554-Q558 WeakPolarHBondContact O-CG 3.23Å; L554-Q558 PolarHBondContact O-N 2.92Å; L555-Q558 PolarHBondContact O-N 3.32Å; V556-Q558 PolarHBondContact O-N 2.86Å; Q558-V560 HydrophobicContact CB-CG2 3.85Å; Q558-V560 PolarHBondContact O-N 3.42Å
559	G	95.9	Very high	96.1	Very high	65 Å²	65	59.4 Å²	59.4	67%	0.67	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.4	17.2	-176.5	0	0	0	0	0	114.4	L555 V556	L555-G559 PolarHBondContact O-N 3.36Å; L555-G559 VanDerWaalsContact O-N 3.16Å; V556-G559 PolarHBondContact O-N 3.24Å
560	V	96.4	Very high	96.1	Very high	7 Å²	7	57 Å²	57	4%	0.042	31%	0.31	C	S	.	.	S	Bend	trans	-76.3	-35.6	-179.9	-179.4	0	0	0	0	110.9	N259 K262 R263 L555 Q558	N259-V560 HydrophobicContact CB-CG1 4.03Å; K262-V560 HydrophobicContact CB-CG1 4.14Å; K262-V560 HydrophobicContact CD-CG2 4.26Å; R263-V560 HydrophobicContact CG-CG1 4.24Å; R263-V560 PolarHBondContact NE-O 3.33Å; R263-V560 PolarHBondContact NH2-O 3.11Å; L555-V560 HydrophobicContact CB-CB 4.3Å; L555-V560 HydrophobicContact CD2-CB 4.17Å; L555-V560 HydrophobicContact CD2-CG1 4.29Å; L555-V560 HydrophobicContact CD2-CG2 4.36Å; L555-V560 PolarHBondContact O-N 3.29Å; Q558-V560 HydrophobicContact CB-CG2 3.85Å; Q558-V560 PolarHBondContact O-N 3.42Å
561	V	95.6	Very high	96.2	Very high	9 Å²	9	57.7 Å²	57.7	6%	0.055	32%	0.323	C	S	.	.	S	Bend	trans	-139.1	145.7	179.3	-177.8	0	0	0	0	108.4	R263 L266 L555 V556 E565	R263-V561 HydrophobicContact CG-CG2 3.78Å; L266-V561 HydrophobicContact CD2-CG1 4.17Å; L266-V561 HydrophobicContact CD2-CG2 4.05Å; L555-V561 HydrophobicContact CB-CB 4.35Å; L555-V561 HydrophobicContact CB-CG2 4.32Å; L555-V561 HydrophobicContact CD1-CG2 4.13Å; V556-V561 WeakPolarHBondContact CA-O 3.27Å; V556-V561 WeakPolarHBondContact CG2-O 3.36Å; V561-E565 WeakPolarHBondContact CA-OE2 3.17Å; V561-E565 HydrophobicContact CG1-CB 3.66Å
562	N	95.1	Very high	96.1	Very high	76 Å²	76	61.8 Å²	61.8	41%	0.406	34%	0.341	S	S	.	.			trans	-100.7	167	171	67.1	51.8	0	0	0	112.5	P564 E565 Y566	N562-P564 WeakPolarHBondContact OD1-CD 3.35Å; N562-E565 PolarHBondContact N-OE2 3.42Å; N562-E565 PolarHBondContact ND2-OE2 3.44Å; N562-E565 PolarHBondContact O-N 3.1Å; N562-E565 WeakPolarHBondContact OD1-CG 3.47Å; N562-E565 PolarHBondContact OD1-N 2.97Å; N562-Y566 PolarHBondContact O-N 3.19Å
563	Q	94.1	Very high	96.1	Very high	92 Å²	92	61.8 Å²	61.8	43%	0.43	34%	0.339	S	S	.	.	H	α-helix	trans	-57.6	-46.9	-177.1	-176.8	66.9	29.3	0	0	113.4	E565 Y566 E567	Q563-E565 PolarHBondContact O-N 3.07Å; Q563-Y566 PolarHBondContact O-N 3.45Å; Q563-E567 WeakPolarHBondContact CG-OE1 3.42Å; Q563-E567 PolarHBondContact NE2-OE1 2.85Å; Q563-E567 WeakPolarHBondContact O-CG 3.42Å; Q563-E567 PolarHBondContact O-N 3.2Å; Q563-E567 VanDerWaalsContact O-N 3.1Å
564	P	96.1	Very high	96.1	Very high	85 Å²	85	59 Å²	59	55%	0.552	33%	0.328	S	S	*	.	H	α-helix	trans	-56.1	-43	173.5	-28.1	32.4	0	0	0	115.1	N562 Y566 E567 E568	N562-P564 WeakPolarHBondContact OD1-CD 3.35Å; P564-Y566 VanDerWaalsContact C-N 3.32Å; P564-Y566 PolarHBondContact O-N 2.95Å; P564-E567 PolarHBondContact O-N 3.27Å; P564-E568 WeakPolarHBondContact O-CB 3.42Å; P564-E568 PolarHBondContact O-N 3.32Å
565	E	93.8	Very high	96.2	Very high	55 Å²	55	62.1 Å²	62.1	26%	0.257	34%	0.338	S	S	.	.	H	α-helix	trans	-62.4	-39.9	178.8	-74.1	176.4	124.7	0	0	111.7	R263 V561 N562 Q563 E568 E569	R263-E565 IonicContact CZ-OE1 2.65Å; R263-E565 VanDerWaalsContact CZ-OE1 3.32Å; R263-E565 IonicContact CZ-OE2 2.88Å; R263-E565 IonicContact NH1-OE1 3.23Å; R263-E565 PolarHBondContact NH1-OE1 2.77Å; R263-E565 IonicContact NH1-OE2 2.81Å; R263-E565 VanDerWaalsContact NH2-CD 3.34Å; R263-E565 IonicContact NH2-OE1 2.86Å; R263-E565 PolarHBondContact NH2-OE1 3.26Å; R263-E565 IonicContact NH2-OE2 3.06Å; R263-E565 PolarHBondContact NH2-OE2 2.91Å; V561-E565 WeakPolarHBondContact CA-OE2 3.17Å; V561-E565 HydrophobicContact CG1-CB 3.66Å; N562-E565 PolarHBondContact N-OE2 3.42Å; N562-E565 PolarHBondContact ND2-OE2 3.44Å; N562-E565 PolarHBondContact O-N 3.1Å; N562-E565 WeakPolarHBondContact OD1-CG 3.47Å; N562-E565 PolarHBondContact OD1-N 2.97Å; Q563-E565 PolarHBondContact O-N 3.07Å; E565-E568 PolarHBondContact O-N 2.94Å; E565-E569 PolarHBondContact O-N 3.05Å; E565-E569 VanDerWaalsContact O-N 3.14Å
566	Y	95.6	Very high	96.2	Very high	34 Å²	34	65.5 Å²	65.5	13%	0.133	36%	0.356	C	S	.	.	H	α-helix	trans	-64.8	-44.7	176.3	169.2	-116.1	0	0	0	112.3	L266 V270 L548 A552 N562 Q563 P564 E568 E569 I570	L266-Y566 HydrophobicContact CD1-CD2 4.2Å; L266-Y566 HydrophobicContact CD1-CE2 4.29Å; L266-Y566 HydrophobicContact CD2-CD2 4.33Å; V270-Y566 HydrophobicContact CG2-CE2 4.37Å; L548-Y566 HydrophobicContact CD1-CE2 4.11Å; L548-Y566 HydrophobicContact CG-CE2 4.28Å; A552-Y566 HydrophobicContact CB-CD2 3.92Å; A552-Y566 HydrophobicContact CB-CE1 4.29Å; A552-Y566 HydrophobicContact CB-CE2 3.67Å; A552-Y566 HydrophobicContact CB-CG 4.32Å; N562-Y566 PolarHBondContact O-N 3.19Å; Q563-Y566 PolarHBondContact O-N 3.45Å; P564-Y566 VanDerWaalsContact C-N 3.32Å; P564-Y566 PolarHBondContact O-N 2.95Å; Y566-E568 VanDerWaalsContact C-N 3.32Å; Y566-E568 PolarHBondContact O-N 2.68Å; Y566-E569 PolarHBondContact O-N 3.34Å; Y566-I570 HydrophobicContact CD1-CD1 4.34Å; Y566-I570 HydrophobicContact CD2-CD1 4.38Å; Y566-I570 HydrophobicContact CE1-CD1 3.74Å; Y566-I570 HydrophobicContact CE2-CD1 3.78Å; Y566-I570 HydrophobicContact CE2-CG1 4.28Å; Y566-I570 VanDerWaalsContact CZ-CD1 3.44Å; Y566-I570 PolarHBondContact O-N 3.43Å
567	E	95.8	Very high	96.2	Very high	105 Å²	105	62.7 Å²	62.7	49%	0.491	34%	0.338	S	S	.	.	H	α-helix	trans	-64.3	-37.5	177.4	-71.5	170.8	-173	0	0	112.1	Q563 P564 I570 S571	Q563-E567 WeakPolarHBondContact CG-OE1 3.42Å; Q563-E567 PolarHBondContact NE2-OE1 2.85Å; Q563-E567 WeakPolarHBondContact O-CG 3.42Å; Q563-E567 PolarHBondContact O-N 3.2Å; Q563-E567 VanDerWaalsContact O-N 3.1Å; P564-E567 PolarHBondContact O-N 3.27Å; E567-I570 PolarHBondContact O-N 2.86Å; E567-S571 PolarHBondContact O-N 2.75Å
568	E	96.2	Very high	96.3	Very high	103 Å²	103	60.8 Å²	60.8	48%	0.481	32%	0.319	S	S	.	.	H	α-helix	trans	-62.8	-44.9	175.5	-165.8	-167.2	147.9	0	0	111.6	P564 E565 Y566 I570 S571 K572	P564-E568 WeakPolarHBondContact O-CB 3.42Å; P564-E568 PolarHBondContact O-N 3.32Å; E565-E568 PolarHBondContact O-N 2.94Å; Y566-E568 VanDerWaalsContact C-N 3.32Å; Y566-E568 PolarHBondContact O-N 2.68Å; E568-I570 VanDerWaalsContact C-N 3.32Å; E568-I570 PolarHBondContact O-N 3.41Å; E568-S571 PolarHBondContact O-N 3.25Å; E568-K572 WeakPolarHBondContact O-CG 3.38Å; E568-K572 PolarHBondContact O-N 3.43Å; E568-K572 WeakPolarHBondContact OE1-CE 3.37Å; E568-K572 IonicContact OE1-NZ 3.49Å; E568-K572 PolarHBondContact OE1-NZ 3.48Å
569	E	96	Very high	96.3	Very high	63 Å²	63	60.9 Å²	60.9	29%	0.294	32%	0.319	S	S	.	.	H	α-helix	trans	-62.4	-37.9	177.5	-75.1	-57.4	121.8	0	0	112.7	E565 Y566 K572 Y573	E565-E569 PolarHBondContact O-N 3.05Å; E565-E569 VanDerWaalsContact O-N 3.14Å; Y566-E569 PolarHBondContact O-N 3.34Å; E569-K572 WeakPolarHBondContact OE1-CD 3.47Å; E569-K572 IonicContact OE1-NZ 3.45Å; E569-K572 PolarHBondContact OE1-NZ 2.96Å; E569-Y573 PolarHBondContact O-N 3.42Å
570	I	97.3	Very high	96.3	Very high	30 Å²	30	57.8 Å²	57.8	15%	0.154	29%	0.288	C	S	.	.	H	α-helix	trans	-62	-52.3	171.6	-71	171.7	0	0	0	110.4	V270 R274 Y566 E567 E568 K572 Y573 D574	V270-I570 HydrophobicContact CG1-CG1 4.08Å; V270-I570 HydrophobicContact CG2-CG1 4.35Å; R274-I570 HydrophobicContact CG-CG2 4.37Å; Y566-I570 HydrophobicContact CD1-CD1 4.34Å; Y566-I570 HydrophobicContact CD2-CD1 4.38Å; Y566-I570 HydrophobicContact CE1-CD1 3.74Å; Y566-I570 HydrophobicContact CE2-CD1 3.78Å; Y566-I570 HydrophobicContact CE2-CG1 4.28Å; Y566-I570 VanDerWaalsContact CZ-CD1 3.44Å; Y566-I570 PolarHBondContact O-N 3.43Å; E567-I570 PolarHBondContact O-N 2.86Å; E568-I570 VanDerWaalsContact C-N 3.32Å; E568-I570 PolarHBondContact O-N 3.41Å; I570-K572 PolarHBondContact O-N 3.41Å; I570-Y573 PolarHBondContact O-N 3.46Å; I570-Y573 VanDerWaalsContact O-N 3.15Å; I570-D574 PolarHBondContact O-N 3.04Å
571	S	97.3	Very high	96.2	Very high	76 Å²	76	59.1 Å²	59.1	53%	0.531	29%	0.293	S	S	.	.	H	α-helix	trans	-60	-35.8	-176.7	-176.9	0	0	0	0	112.3	E567 E568 K575	E567-S571 PolarHBondContact O-N 2.75Å; E568-S571 PolarHBondContact O-N 3.25Å; S571-K575 WeakPolarHBondContact O-CB 3.45Å; S571-K575 PolarHBondContact O-N 2.83Å; S571-K575 VanDerWaalsContact O-N 3.12Å
572	K	97	Very high	96.1	Very high	91 Å²	91	62.6 Å²	62.6	40%	0.396	31%	0.314	S	S	.	.	H	α-helix	trans	-59.5	-47.5	176.2	-78.4	170.5	-175.3	159.1	0	111.9	E568 E569 I570 I576	E568-K572 WeakPolarHBondContact O-CG 3.38Å; E568-K572 PolarHBondContact O-N 3.43Å; E568-K572 WeakPolarHBondContact OE1-CE 3.37Å; E568-K572 IonicContact OE1-NZ 3.49Å; E568-K572 PolarHBondContact OE1-NZ 3.48Å; E569-K572 WeakPolarHBondContact OE1-CD 3.47Å; E569-K572 IonicContact OE1-NZ 3.45Å; E569-K572 PolarHBondContact OE1-NZ 2.96Å; I570-K572 PolarHBondContact O-N 3.41Å; K572-I576 WeakPolarHBondContact O-CG1 3.43Å; K572-I576 PolarHBondContact O-N 3.11Å
573	Y	97	Very high	96	Very high	6 Å²	6	64.3 Å²	64.3	2%	0.024	32%	0.315	C	S	.	.	H	α-helix	trans	-76.4	-35.8	-176.5	-169.2	-104.3	0	0	0	112.9	R271 R274 F275 N331 E569 I570 K575 I576 C577	R271-Y573 HydrophobicContact CB-CD2 4.13Å; R271-Y573 HydrophobicContact CB-CE1 4.39Å; R271-Y573 HydrophobicContact CB-CE2 3.86Å; R271-Y573 HydrophobicContact CB-CG 4.47Å; R271-Y573 HydrophobicContact CG-CD2 3.53Å; R271-Y573 HydrophobicContact CG-CE2 3.65Å; R271-Y573 HydrophobicContact CG-CG 4.03Å; R271-Y573 VanDerWaalsContact O-CE1 3.28Å; R271-Y573 WeakPolarHBondContact O-CE1 3.42Å; R274-Y573 HydrophobicContact CB-CD1 3.66Å; R274-Y573 HydrophobicContact CB-CE1 4.19Å; F275-Y573 HydrophobicContact CB-CE1 3.95Å; N331-Y573 PolarHBondContact ND2-OH 2.85Å; N331-Y573 PolarHBondContact OD1-OH 2.77Å; E569-Y573 PolarHBondContact O-N 3.42Å; I570-Y573 PolarHBondContact O-N 3.46Å; I570-Y573 VanDerWaalsContact O-N 3.15Å; Y573-K575 VanDerWaalsContact C-N 3.28Å; Y573-K575 PolarHBondContact O-N 2.97Å; Y573-I576 HydrophobicContact CD2-CD1 4.39Å; Y573-I576 WeakPolarHBondContact O-CB 3.42Å; Y573-I576 PolarHBondContact O-N 3.12Å; Y573-C577 WeakPolarHBondContact CE1-SG 3.47Å; Y573-C577 PolarHBondContact O-N 3.26Å; Y573-C577 PolarHBondContact O-SG 2.9Å; Y573-C577 VanDerWaalsContact O-SG 3.4Å
574	D	97.3	Very high	95.8	Very high	32 Å²	32	60.2 Å²	60.2	17%	0.171	30%	0.297	C	S	.	.	H	α-helix	trans	-58.5	-42.8	173.5	-75.7	-8.4	0	0	0	111.4	R274 I570 I576 C577 E578	R274-D574 IonicContact CZ-OD1 3.31Å; R274-D574 IonicContact CZ-OD2 3.13Å; R274-D574 IonicContact NE-OD1 3.5Å; R274-D574 PolarHBondContact NE-OD1 3.32Å; R274-D574 IonicContact NE-OD2 2.62Å; R274-D574 VanDerWaalsContact NH2-CG 3.32Å; R274-D574 IonicContact NH2-OD1 3.2Å; R274-D574 PolarHBondContact NH2-OD1 3.12Å; R274-D574 IonicContact NH2-OD2 2.68Å; R274-D574 PolarHBondContact NH2-OD2 3.13Å; I570-D574 PolarHBondContact O-N 3.04Å; D574-I576 PolarHBondContact O-N 3.36Å; D574-C577 PolarHBondContact O-N 3.39Å; D574-E578 PolarHBondContact O-N 3.38Å
575	K	97.8	Very high	95.4	Very high	132 Å²	132	61.9 Å²	61.9	57%	0.574	30%	0.295	S	S	*	.	H	α-helix	trans	-58.9	-45.6	175.5	-176.7	177.5	174.7	178.5	0	111.8	S571 Y573 C577 E578 E579	S571-K575 WeakPolarHBondContact O-CB 3.45Å; S571-K575 PolarHBondContact O-N 2.83Å; S571-K575 VanDerWaalsContact O-N 3.12Å; Y573-K575 VanDerWaalsContact C-N 3.28Å; Y573-K575 PolarHBondContact O-N 2.97Å; K575-C577 VanDerWaalsContact C-N 3.29Å; K575-C577 PolarHBondContact O-N 3.47Å; K575-E578 PolarHBondContact O-N 3.26Å; K575-E579 WeakPolarHBondContact CE-OE1 3.32Å; K575-E579 HydrophobicContact CG-CG 4.42Å; K575-E579 IonicContact NZ-OE1 3.18Å; K575-E579 WeakPolarHBondContact O-CB 3.41Å; K575-E579 WeakPolarHBondContact O-CG 3.22Å; K575-E579 PolarHBondContact O-N 3.43Å
576	I	96.9	Very high	95	Very high	72 Å²	72	65.5 Å²	65.5	37%	0.369	32%	0.316	S	S	.	.	H	α-helix	trans	-57.6	-43.7	176.7	-68.6	168.1	0	0	0	110.9	L337 K572 Y573 D574 A580	L337-I576 HydrophobicContact CD1-CG2 3.75Å; K572-I576 WeakPolarHBondContact O-CG1 3.43Å; K572-I576 PolarHBondContact O-N 3.11Å; Y573-I576 HydrophobicContact CD2-CD1 4.39Å; Y573-I576 WeakPolarHBondContact O-CB 3.42Å; Y573-I576 PolarHBondContact O-N 3.12Å; D574-I576 PolarHBondContact O-N 3.36Å; I576-A580 WeakPolarHBondContact O-CB 3.36Å; I576-A580 PolarHBondContact O-N 3.36Å; I576-A580 VanDerWaalsContact O-N 3.09Å
577	C	97.3	Very high	94.2	Very high	0 Å²	0	68 Å²	68	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-68.7	-43.4	-180	-63.8	0	0	0	0	112.4	F278 Y573 D574 K575 A580 F581	F278-C577 HydrophobicContact CB-CB 4.46Å; F278-C577 HydrophobicContact CD1-CB 4.04Å; F278-C577 HydrophobicContact CD2-CB 3.45Å; F278-C577 VanDerWaalsContact CD2-CB 3.45Å; F278-C577 HydrophobicContact CE1-CB 4.1Å; F278-C577 HydrophobicContact CE2-CB 3.54Å; F278-C577 HydrophobicContact CG-CB 3.73Å; F278-C577 HydrophobicContact CZ-CB 3.87Å; F278-C577 WeakPolarHBondContact CZ-O 3.3Å; Y573-C577 WeakPolarHBondContact CE1-SG 3.47Å; Y573-C577 PolarHBondContact O-N 3.26Å; Y573-C577 PolarHBondContact O-SG 2.9Å; Y573-C577 VanDerWaalsContact O-SG 3.4Å; D574-C577 PolarHBondContact O-N 3.39Å; K575-C577 VanDerWaalsContact C-N 3.29Å; K575-C577 PolarHBondContact O-N 3.47Å; C577-A580 PolarHBondContact O-N 2.89Å; C577-F581 VanDerWaalsContact O-CB 3.31Å; C577-F581 WeakPolarHBondContact O-CB 3.29Å; C577-F581 PolarHBondContact O-N 3.42Å
578	E	97.4	Very high	93	Very high	55 Å²	55	70.1 Å²	70.1	26%	0.257	34%	0.337	S	S	.	.	H	α-helix	trans	-64.5	-40.5	177.8	-71.3	-67.6	176.9	0	0	112.5	F278 R281 K282 D574 K575 F581 T582	F278-E578 HydrophobicContact CE2-CG 3.96Å; R281-E578 IonicContact CZ-OE1 3.35Å; R281-E578 IonicContact NH1-OE1 3.24Å; R281-E578 PolarHBondContact NH1-OE1 3.03Å; R281-E578 IonicContact NH2-OE1 2.69Å; R281-E578 PolarHBondContact NH2-OE1 3.28Å; K282-E578 WeakPolarHBondContact CE-OE2 3.35Å; K282-E578 IonicContact NZ-OE1 2.73Å; K282-E578 PolarHBondContact NZ-OE1 3.47Å; K282-E578 VanDerWaalsContact NZ-OE1 3.13Å; K282-E578 IonicContact NZ-OE2 2.65Å; K282-E578 PolarHBondContact NZ-OE2 3.19Å; D574-E578 PolarHBondContact O-N 3.38Å; K575-E578 PolarHBondContact O-N 3.26Å; E578-F581 PolarHBondContact O-N 3.11Å; E578-T582 PolarHBondContact O-N 2.9Å; E578-T582 PolarHBondContact O-OG1 2.85Å
579	E	96.5	Very high	91.8	Very high	90 Å²	90	69.2 Å²	69.2	42%	0.421	34%	0.335	S	S	.	.	H	α-helix	trans	-63.7	-46.8	176	-73.8	175.7	179	0	0	111.4	K575 T582 R583	K575-E579 WeakPolarHBondContact CE-OE1 3.32Å; K575-E579 HydrophobicContact CG-CG 4.42Å; K575-E579 IonicContact NZ-OE1 3.18Å; K575-E579 WeakPolarHBondContact O-CB 3.41Å; K575-E579 WeakPolarHBondContact O-CG 3.22Å; K575-E579 PolarHBondContact O-N 3.43Å; E579-T582 PolarHBondContact O-N 3.3Å; E579-R583 PolarHBondContact O-N 3.22Å; E579-R583 VanDerWaalsContact O-N 3.09Å
580	A	95.3	Very high	90.5	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-65.5	-38	177.2	0	0	0	0	0	112.8	L337 F341 I576 C577 T582 R583 S584	L337-A580 HydrophobicContact CB-CB 3.47Å; L337-A580 VanDerWaalsContact CB-CB 3.47Å; L337-A580 HydrophobicContact CD1-CB 4.09Å; L337-A580 HydrophobicContact CG-CB 4.43Å; F341-A580 HydrophobicContact CD2-CB 4.17Å; F341-A580 HydrophobicContact CE2-CB 3.87Å; I576-A580 WeakPolarHBondContact O-CB 3.36Å; I576-A580 PolarHBondContact O-N 3.36Å; I576-A580 VanDerWaalsContact O-N 3.09Å; C577-A580 PolarHBondContact O-N 2.89Å; A580-T582 VanDerWaalsContact C-N 3.3Å; A580-T582 PolarHBondContact O-N 3.13Å; A580-R583 PolarHBondContact O-N 2.89Å; A580-S584 WeakPolarHBondContact O-CB 3.44Å; A580-S584 PolarHBondContact O-N 2.71Å
581	F	95.1	Very high	89.4	Confident	35 Å²	35	68.9 Å²	68.9	15%	0.154	33%	0.333	C	S	.	.	H	α-helix	trans	-62.3	-39.2	173.7	172.2	-108.3	0	0	0	111.9	F278 K282 W283 F341 C577 E578 S584	F278-F581 HydrophobicContact CE1-CB 4.07Å; F278-F581 HydrophobicContact CZ-CB 3.65Å; F278-F581 HydrophobicContact CZ-CG 4.14Å; K282-F581 HydrophobicContact CD-CD1 4.34Å; K282-F581 HydrophobicContact CD-CE1 4.07Å; K282-F581 HydrophobicContact CD-CE2 4.36Å; K282-F581 HydrophobicContact CD-CZ 4.08Å; W283-F581 AromaticContact CH2-CD2 3.68Å; W283-F581 HydrophobicContact CH2-CD2 3.68Å; W283-F581 AromaticContact CH2-CE2 3.96Å; W283-F581 HydrophobicContact CH2-CE2 3.96Å; W283-F581 AromaticContact CZ2-CD2 3.8Å; W283-F581 HydrophobicContact CZ2-CD2 3.8Å; W283-F581 AromaticContact CZ2-CE2 3.62Å; W283-F581 HydrophobicContact CZ2-CE2 3.62Å; F341-F581 HydrophobicContact CD2-CB 4.04Å; F341-F581 HydrophobicContact CE2-CB 4.24Å; C577-F581 VanDerWaalsContact O-CB 3.31Å; C577-F581 WeakPolarHBondContact O-CB 3.29Å; C577-F581 PolarHBondContact O-N 3.42Å; E578-F581 PolarHBondContact O-N 3.11Å; F581-S584 PolarHBondContact O-N 3.48Å; F581-S584 PolarHBondContact O-OG 2.86Å
582	T	94.4	Very high	88.1	Confident	83 Å²	83	65.6 Å²	65.6	51%	0.509	31%	0.309	S	S	.	.	H	α-helix	trans	-62.4	-47.1	175.5	-57	0	0	0	0	110.8	E578 E579 A580 S584 K585	E578-T582 PolarHBondContact O-N 2.9Å; E578-T582 PolarHBondContact O-OG1 2.85Å; E579-T582 PolarHBondContact O-N 3.3Å; A580-T582 VanDerWaalsContact C-N 3.3Å; A580-T582 PolarHBondContact O-N 3.13Å; T582-S584 VanDerWaalsContact C-N 3.33Å; T582-S584 PolarHBondContact O-N 3.08Å; T582-K585 PolarHBondContact O-N 3.01Å
583	R	92.4	Very high	86.7	Confident	111 Å²	111	64 Å²	64	42%	0.419	30%	0.302	S	S	.	.	H	α-helix	trans	-63.3	-35.4	176.2	-67	-166.8	-59.3	-84.3	0.7	113.4	E338 E579 A580 K585 D586	E338-R583 HydrophobicContact CB-CB 4.31Å; E338-R583 IonicContact OE1-CZ 3.47Å; E338-R583 IonicContact OE1-NE 3.64Å; E338-R583 PolarHBondContact OE1-NE 3.49Å; E338-R583 IonicContact OE1-NH2 3.04Å; E338-R583 PolarHBondContact OE1-NH2 3.23Å; E338-R583 IonicContact OE2-NH2 3.85Å; E338-R583 PolarHBondContact OE2-NH2 3.47Å; E579-R583 PolarHBondContact O-N 3.22Å; E579-R583 VanDerWaalsContact O-N 3.09Å; A580-R583 PolarHBondContact O-N 2.89Å; R583-K585 PolarHBondContact O-N 3.38Å; R583-D586 PolarHBondContact O-N 3.12Å
584	S	90.4	Very high	85.6	Confident	7 Å²	7	67.7 Å²	67.7	5%	0.049	32%	0.32	C	S	.	.	H	α-helix	trans	-61	-20	-178.8	73.7	0	0	0	0	114.4	E338 A580 F581 T582 D586 E587	E338-S584 WeakPolarHBondContact O-CB 3.16Å; A580-S584 WeakPolarHBondContact O-CB 3.44Å; A580-S584 PolarHBondContact O-N 2.71Å; F581-S584 PolarHBondContact O-N 3.48Å; F581-S584 PolarHBondContact O-OG 2.86Å; T582-S584 VanDerWaalsContact C-N 3.33Å; T582-S584 PolarHBondContact O-N 3.08Å; S584-D586 VanDerWaalsContact C-N 3.29Å; S584-E587 PolarHBondContact O-N 2.86Å
585	K	87.4	Confident	84.8	Confident	120 Å²	120	66.6 Å²	66.6	52%	0.522	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-20.5	177.6	-64.4	177.1	-179.8	177.6	0	113.3	T582 R583	T582-K585 PolarHBondContact O-N 3.01Å; R583-K585 PolarHBondContact O-N 3.38Å
586	D	85.1	Confident	84	Confident	130 Å²	130	62.1 Å²	62.1	70%	0.695	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-19.5	177.4	-59.8	-36.4	0	0	0	111.2	R583 S584 K588	R583-D586 PolarHBondContact O-N 3.12Å; S584-D586 VanDerWaalsContact C-N 3.29Å; D586-K588 PolarHBondContact O-N 3.39Å; D586-K588 VanDerWaalsContact O-N 3.15Å
587	E	77.5	Confident	83.2	Confident	86 Å²	86	58.8 Å²	58.8	40%	0.402	28%	0.278	S	S	.	.			trans	-79	89.8	175.9	-66.1	-67.3	172.5	0	0	111.1	C342 S584	C342-E587 HydrophobicContact CB-CB 4.04Å; S584-E587 PolarHBondContact O-N 2.86Å
588	K	72.3	Confident	82.4	Confident	151 Å²	151	59.2 Å²	59.2	66%	0.657	28%	0.281	S	S	*	.			trans	-91.6	-14.2	-179.6	-64.2	-178.1	-178	176.5	0	114.2	E349 D586	E349-K588 PolarHBondContact N-O 2.9Å; E349-K588 VanDerWaalsContact N-O 3.14Å; D586-K588 PolarHBondContact O-N 3.39Å; D586-K588 VanDerWaalsContact O-N 3.15Å
589	I	69.6	Low	81.5	Confident	84 Å²	84	59 Å²	59	43%	0.431	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	124.5	-171.1	-64.7	178.7	0	0	0	109.5	E349 A351	E349-I589 WeakPolarHBondContact O-CA 3.35Å; A351-I589 HydrophobicContact CB-CG2 3.14Å
590	L	70.3	Confident	81.2	Confident	26 Å²	26	55.4 Å²	55.4	14%	0.136	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	124.5	174.4	-177	58.6	0	0	0	111.6	Q343 L348 E349 A351 I592	Q343-L590 VanDerWaalsContact NE2-CD2 3.33Å; L348-L590 HydrophobicContact CD1-CB 4.31Å; L348-L590 HydrophobicContact CD2-CB 3.84Å; L348-L590 HydrophobicContact CD2-CD2 4.07Å; L348-L590 HydrophobicContact CD2-CG 4.37Å; L348-L590 HydrophobicContact CG-CB 4.01Å; E349-L590 PolarHBondContact O-N 3.36Å; A351-L590 PolarHBondContact N-O 3.26Å; L590-I592 HydrophobicContact CD2-CG1 4.48Å
591	H	72.8	Confident	80.5	Confident	60 Å²	60	61.1 Å²	61.1	28%	0.278	31%	0.305	S	S	.	.			trans	-99.1	103.3	165.2	-69.6	-65.4	0	0	0	109.9	D352 K593 H594	D352-H591 IonicContact OD1-CE1 3.58Å; D352-H591 IonicContact OD1-CG 2.71Å; D352-H591 IonicContact OD1-ND1 3.75Å; D352-H591 PolarHBondContact OD1-ND1 3.29Å; D352-H591 VanDerWaalsContact OD2-CA 3.26Å; D352-H591 WeakPolarHBondContact OD2-CA 3.26Å; H591-K593 HydrophobicContact CB-CG 3.94Å; H591-K593 PolarHBondContact O-N 3.19Å; H591-H594 WeakPolarHBondContact O-CB 3.49Å; H591-H594 PolarHBondContact O-N 3.29Å
592	I	69.9	Low	80	Confident	7 Å²	7	61.9 Å²	61.9	4%	0.036	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-59	-29	175.1	-56.6	170.5	0	0	0	110.5	D352 L590 H594 W595 V781	D352-I592 HydrophobicContact CB-CB 4.28Å; D352-I592 HydrophobicContact CB-CD1 4.45Å; D352-I592 HydrophobicContact CB-CG1 4.4Å; D352-I592 WeakPolarHBondContact OD2-CA 3.42Å; D352-I592 PolarHBondContact OD2-N 3Å; L590-I592 HydrophobicContact CD2-CG1 4.48Å; I592-H594 PolarHBondContact O-N 3.32Å; I592-H594 VanDerWaalsContact O-N 3.07Å; I592-W595 WeakPolarHBondContact O-CA 3.05Å; I592-W595 WeakPolarHBondContact O-CB 3.24Å; I592-W595 PolarHBondContact O-N 3.14Å; I592-V781 HydrophobicContact CB-CG2 3.72Å; I592-V781 HydrophobicContact CD1-CG2 4.33Å; I592-V781 HydrophobicContact CG2-CB 4.17Å; I592-V781 HydrophobicContact CG2-CG2 3.51Å
593	K	68.1	Low	79.8	Confident	56 Å²	56	59.4 Å²	59.4	24%	0.243	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-56.2	-24.1	172.7	64	178.6	176.5	-175	0	114.1	D352 H591 W595 L596	D352-K593 PolarHBondContact OD2-N 2.85Å; H591-K593 HydrophobicContact CB-CG 3.94Å; H591-K593 PolarHBondContact O-N 3.19Å; K593-W595 PolarHBondContact O-N 2.88Å; K593-L596 HydrophobicContact CB-CD1 4.11Å; K593-L596 WeakPolarHBondContact O-CD1 3.13Å; K593-L596 VanDerWaalsContact O-CG 3.25Å; K593-L596 WeakPolarHBondContact O-CG 3.44Å; K593-L596 PolarHBondContact O-N 3.19Å
594	H	73.9	Confident	79.5	Confident	85 Å²	85	55.8 Å²	55.8	39%	0.394	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-72.9	-5.4	174.2	-61.9	172.7	0	0	0	113.6	K335 Q339 H591 I592	K335-H594 PolarHBondContact NZ-O 3.38Å; Q339-H594 PolarHBondContact NE2-ND1 3.29Å; H591-H594 WeakPolarHBondContact O-CB 3.49Å; H591-H594 PolarHBondContact O-N 3.29Å; I592-H594 PolarHBondContact O-N 3.32Å; I592-H594 VanDerWaalsContact O-N 3.07Å
595	W	79.7	Confident	79.2	Confident	8 Å²	8	58.2 Å²	58.2	3%	0.03	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-114.4	17.5	-179.8	-58.7	89.7	0	0	0	112	L329 K335 Q339 I340 Q343 L362 G363 I592 K593 D597	L329-W595 HydrophobicContact CD1-CZ3 4.13Å; L329-W595 HydrophobicContact CD2-CZ3 4.38Å; K335-W595 HydrophobicContact CD-CE3 4.44Å; K335-W595 HydrophobicContact CD-CH2 4.16Å; K335-W595 HydrophobicContact CD-CZ3 4.11Å; K335-W595 VanDerWaalsContact CE-CE2 3.48Å; K335-W595 VanDerWaalsContact CE-CH2 3.4Å; K335-W595 HydrophobicContact CG-CH2 3.89Å; K335-W595 HydrophobicContact CG-CZ3 3.99Å; Q339-W595 HydrophobicContact CB-CZ2 4.42Å; Q339-W595 WeakPolarHBondContact O-CZ2 3.46Å; I340-W595 HydrophobicContact CG1-CH2 4.08Å; Q343-W595 HydrophobicContact CG-CZ2 4.27Å; L362-W595 HydrophobicContact CB-CB 4.26Å; L362-W595 HydrophobicContact CB-CD2 3.95Å; L362-W595 HydrophobicContact CB-CE3 3.58Å; L362-W595 HydrophobicContact CB-CG 4.27Å; L362-W595 HydrophobicContact CB-CZ3 4.17Å; L362-W595 HydrophobicContact CD1-CD2 3.7Å; L362-W595 HydrophobicContact CD1-CE3 4Å; L362-W595 HydrophobicContact CD1-CG 4.01Å; L362-W595 HydrophobicContact CD1-CH2 4.47Å; L362-W595 HydrophobicContact CD1-CZ2 4.22Å; L362-W595 HydrophobicContact CD1-CZ3 4.37Å; L362-W595 HydrophobicContact CG-CD2 4.43Å; L362-W595 HydrophobicContact CG-CE3 4.45Å; G363-W595 CarbonylContact C-O 3.58Å; G363-W595 VanDerWaalsContact C-O 3.26Å; G363-W595 CarbonylContact O-C 3.54Å; G363-W595 WeakPolarHBondContact O-CA 3Å; I592-W595 WeakPolarHBondContact O-CA 3.05Å; I592-W595 WeakPolarHBondContact O-CB 3.24Å; I592-W595 PolarHBondContact O-N 3.14Å; K593-W595 PolarHBondContact O-N 2.88Å; W595-D597 PolarHBondContact O-N 3.26Å
596	L	82.7	Confident	78.6	Confident	38 Å²	38	60.8 Å²	60.8	20%	0.199	33%	0.325	C	S	.	.			trans	-69.2	123	174.5	-66.2	171.3	0	0	0	110.2	Y365 K593 V781	Y365-L596 VanDerWaalsContact CB-O 3.3Å; Y365-L596 WeakPolarHBondContact CB-O 3.34Å; Y365-L596 PolarHBondContact N-O 3.48Å; K593-L596 HydrophobicContact CB-CD1 4.11Å; K593-L596 WeakPolarHBondContact O-CD1 3.13Å; K593-L596 VanDerWaalsContact O-CG 3.25Å; K593-L596 WeakPolarHBondContact O-CG 3.44Å; K593-L596 PolarHBondContact O-N 3.19Å; L596-V781 HydrophobicContact CD2-CB 4.18Å; L596-V781 VanDerWaalsContact CD2-O 3.31Å; L596-V781 WeakPolarHBondContact CD2-O 3.31Å
597	D	78.3	Confident	78	Confident	2 Å²	2	60 Å²	60	1%	0.011	32%	0.321	C	S	.	.	S	Bend	trans	-81	-19.1	171.4	62.9	47	0	0	0	112.7	S380 L381 A383 K398 W595 M745 R782	S380-D597 PolarHBondContact OG-O 3.02Å; L381-D597 VanDerWaalsContact O-CB 3.24Å; L381-D597 WeakPolarHBondContact O-CB 3.18Å; A383-D597 PolarHBondContact N-OD2 3.31Å; K398-D597 PolarHBondContact NZ-O 2.83Å; K398-D597 IonicContact NZ-OD1 3.68Å; K398-D597 PolarHBondContact NZ-OD1 3.49Å; W595-D597 PolarHBondContact O-N 3.26Å; D597-M745 WeakPolarHBondContact OD1-CE 3.49Å; D597-R782 VanDerWaalsContact CG-CZ 3.42Å; D597-R782 IonicContact OD1-CZ 3.62Å; D597-R782 IonicContact OD1-NE 3.82Å; D597-R782 PolarHBondContact OD1-NE 3.28Å; D597-R782 IonicContact OD1-NH1 2.7Å; D597-R782 IonicContact OD1-NH2 2.69Å; D597-R782 PolarHBondContact OD1-NH2 2.97Å; D597-R782 VanDerWaalsContact OD1-NH2 3.14Å; D597-R782 IonicContact OD2-CZ 3.43Å; D597-R782 IonicContact OD2-NE 2.7Å; D597-R782 IonicContact OD2-NH2 3.64Å; D597-R782 PolarHBondContact OD2-NH2 3.17Å
598	S	82.1	Confident	77.9	Confident	9 Å²	9	57.5 Å²	57.5	6%	0.063	32%	0.318	C	S	.	.			trans	-136.3	95.4	176.6	-75	0	0	0	0	110.3	K398 M745 R782	K398-S598 WeakPolarHBondContact CE-OG 3.49Å; K398-S598 PolarHBondContact NZ-OG 3.38Å; S598-M745 WeakPolarHBondContact CB-O 3.29Å; S598-M745 PolarHBondContact OG-O 3.43Å; S598-M745 VanDerWaalsContact OG-O 3.04Å; S598-R782 VanDerWaalsContact N-NH1 3.16Å; S598-R782 PolarHBondContact O-NH1 2.86Å
599	P	78.6	Confident	78.4	Confident	52 Å²	52	54.5 Å²	54.5	34%	0.338	31%	0.306	S	S	.	.			trans	-86.5	-4.7	-169.4	31	-35.2	0	0	0	116.3	Y365	Y365-P599 HydrophobicContact CD1-CG 3.94Å; Y365-P599 HydrophobicContact CE1-CG 4.3Å; Y365-P599 HydrophobicContact CG-CG 4.08Å
600	W	88.9	Confident	79.2	Confident	14 Å²	14	51.2 Å²	51.2	5%	0.053	29%	0.29	C	S	.	.			trans	38.5	68.1	-177.3	-63.1	-15.8	0	0	0	115.1	G602 F603 F604 M745 A746 P748 Q783 R862	W600-G602 PolarHBondContact O-N 2.94Å; W600-F603 HydrophobicContact CB-CB 4.02Å; W600-F603 AromaticContact CE3-CD1 3.91Å; W600-F603 HydrophobicContact CE3-CD1 3.91Å; W600-F603 HydrophobicContact CE3-CE1 4.28Å; W600-F603 HydrophobicContact CZ3-CD1 4.46Å; W600-F603 HydrophobicContact CZ3-CE1 4.38Å; W600-F603 PolarHBondContact O-N 3.35Å; W600-F603 VanDerWaalsContact O-N 3.12Å; W600-F604 AromaticContact CE3-CE2 3.71Å; W600-F604 HydrophobicContact CE3-CE2 3.71Å; W600-F604 AromaticContact CE3-CZ 3.94Å; W600-F604 HydrophobicContact CE3-CZ 3.94Å; W600-F604 HydrophobicContact CZ3-CE2 4.36Å; W600-F604 HydrophobicContact CZ3-CZ 4.19Å; W600-M745 PolarHBondContact NE1-O 3.2Å; W600-A746 PolarHBondContact NE1-O 3.49Å; W600-P748 HydrophobicContact CB-CG 4.11Å; W600-P748 HydrophobicContact CD2-CB 3.73Å; W600-P748 HydrophobicContact CD2-CG 3.86Å; W600-P748 HydrophobicContact CE3-CB 3.6Å; W600-P748 HydrophobicContact CE3-CG 4.1Å; W600-P748 HydrophobicContact CG-CB 4.31Å; W600-P748 HydrophobicContact CG-CG 3.88Å; W600-P748 HydrophobicContact CH2-CB 4.21Å; W600-P748 HydrophobicContact CZ2-CB 4.33Å; W600-P748 HydrophobicContact CZ3-CB 3.85Å; W600-Q783 HydrophobicContact CH2-CB 4.21Å; W600-Q783 WeakPolarHBondContact CH2-O 3.36Å; W600-Q783 HydrophobicContact CZ3-CB 3.9Å; W600-R862 HydrophobicContact CH2-CB 3.85Å; W600-R862 HydrophobicContact CH2-CG 3.75Å; W600-R862 HydrophobicContact CZ3-CB 3.96Å; W600-R862 HydrophobicContact CZ3-CG 3.75Å
601	P	81.6	Confident	80	Confident	120 Å²	120	58 Å²	58	78%	0.779	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	126.9	-177	-23.8	33.8	0	0	0	112.1	F603	P601-F603 VanDerWaalsContact C-N 3.34Å; P601-F603 PolarHBondContact O-N 2.97Å
602	G	84.5	Confident	80.7	Confident	50 Å²	50	57.8 Å²	57.8	52%	0.515	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.1	2.3	176.7	0	0	0	0	0	115.8	W600 R611	W600-G602 PolarHBondContact O-N 2.94Å; G602-R611 PolarHBondContact O-NE 3.5Å; G602-R611 PolarHBondContact O-NH1 3.28Å; G602-R611 PolarHBondContact O-NH2 2.98Å
603	F	89.8	Confident	81.7	Confident	31 Å²	31	60.2 Å²	60.2	14%	0.136	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-46.9	171.7	-170.8	-106.9	0	0	0	111.6	W600 P601 P748	W600-F603 HydrophobicContact CB-CB 4.02Å; W600-F603 AromaticContact CE3-CD1 3.91Å; W600-F603 HydrophobicContact CE3-CD1 3.91Å; W600-F603 HydrophobicContact CE3-CE1 4.28Å; W600-F603 HydrophobicContact CZ3-CD1 4.46Å; W600-F603 HydrophobicContact CZ3-CE1 4.38Å; W600-F603 PolarHBondContact O-N 3.35Å; W600-F603 VanDerWaalsContact O-N 3.12Å; P601-F603 VanDerWaalsContact C-N 3.34Å; P601-F603 PolarHBondContact O-N 2.97Å; F603-P748 HydrophobicContact CB-CG 3.97Å; F603-P748 HydrophobicContact CD1-CB 4.01Å; F603-P748 HydrophobicContact CD1-CG 4.32Å; F603-P748 HydrophobicContact CD2-CB 3.7Å; F603-P748 HydrophobicContact CD2-CG 3.65Å; F603-P748 HydrophobicContact CE1-CB 4.06Å; F603-P748 HydrophobicContact CE2-CB 3.77Å; F603-P748 HydrophobicContact CE2-CG 4.22Å; F603-P748 HydrophobicContact CG-CB 3.84Å; F603-P748 HydrophobicContact CG-CG 3.72Å; F603-P748 HydrophobicContact CZ-CB 3.96Å
604	F	86.5	Confident	82.8	Confident	36 Å²	36	60.7 Å²	60.7	16%	0.158	34%	0.341	C	S	.	.	S	Bend	trans	-92.6	171.9	175.8	-58.8	-63.3	0	0	0	112.9	W600 Q609 R611 Q783	W600-F604 AromaticContact CE3-CE2 3.71Å; W600-F604 HydrophobicContact CE3-CE2 3.71Å; W600-F604 AromaticContact CE3-CZ 3.94Å; W600-F604 HydrophobicContact CE3-CZ 3.94Å; W600-F604 HydrophobicContact CZ3-CE2 4.36Å; W600-F604 HydrophobicContact CZ3-CZ 4.19Å; F604-Q609 CarbonylContact C-O 3.26Å; F604-Q609 WeakPolarHBondContact CA-O 3.45Å; F604-Q609 WeakPolarHBondContact CB-O 3.35Å; F604-R611 PolarHBondContact O-NE 2.94Å; F604-Q783 HydrophobicContact CZ-CG 4.37Å; F604-Q783 VanDerWaalsContact CZ-OE1 3.26Å
605	T	84.1	Confident	83.7	Confident	57 Å²	57	58 Å²	58	35%	0.35	33%	0.332	S	S	.	.			trans	-70.4	171.2	162.8	68.1	0	0	0	0	110.6	D607 G608 Q609 R611	T605-D607 PolarHBondContact O-N 3.07Å; T605-D607 PolarHBondContact OG1-N 2.9Å; T605-G608 PolarHBondContact O-N 3.04Å; T605-Q609 PolarHBondContact N-O 3.16Å; T605-Q609 PolarHBondContact OG1-N 3.16Å; T605-Q609 VanDerWaalsContact OG1-N 3.16Å; T605-Q609 PolarHBondContact OG1-O 3.45Å; T605-R611 HydrophobicContact CG2-CG 4.19Å
606	L	74.9	Confident	84.4	Confident	175 Å²	175	61 Å²	61	92%	0.916	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-27.5	176.3	-69.4	173.7	0	0	0	112.7	G608	L606-G608 VanDerWaalsContact C-N 3.27Å; L606-G608 PolarHBondContact O-N 2.77Å
607	D	72.4	Confident	85.1	Confident	114 Å²	114	61 Å²	61	61%	0.61	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-3.6	178	-60.7	-49.6	0	0	0	113.4	T605	T605-D607 PolarHBondContact O-N 3.07Å; T605-D607 PolarHBondContact OG1-N 2.9Å
608	G	74.7	Confident	86	Confident	33 Å²	33	60.9 Å²	60.9	34%	0.34	36%	0.355	S	S	.	.	S	Bend	trans	88.6	12.1	179.8	0	0	0	0	0	114.4	T605 L606	T605-G608 PolarHBondContact O-N 3.04Å; L606-G608 VanDerWaalsContact C-N 3.27Å; L606-G608 PolarHBondContact O-N 2.77Å
609	Q	83.1	Confident	86.8	Confident	88 Å²	88	60.9 Å²	60.9	41%	0.411	36%	0.356	S	S	.	.			trans	-93.4	156.1	-177.6	-65.5	-61.4	-27.2	0	0	112.5	F604 T605 Y834	F604-Q609 CarbonylContact C-O 3.26Å; F604-Q609 WeakPolarHBondContact CA-O 3.45Å; F604-Q609 WeakPolarHBondContact CB-O 3.35Å; T605-Q609 PolarHBondContact N-O 3.16Å; T605-Q609 PolarHBondContact OG1-N 3.16Å; T605-Q609 VanDerWaalsContact OG1-N 3.16Å; T605-Q609 PolarHBondContact OG1-O 3.45Å; Q609-Y834 PolarHBondContact OE1-OH 3.11Å; Q609-Y834 VanDerWaalsContact OE1-OH 3.06Å
610	P	86.3	Confident	87.7	Confident	15 Å²	15	59.2 Å²	59.2	10%	0.097	34%	0.344	C	S	.	.			trans	-56.9	146.9	169.1	-22.2	33.7	0	0	0	111.7	S612 M613 Y834 P860 F861	P610-S612 VanDerWaalsContact C-N 3.34Å; P610-M613 HydrophobicContact CB-SD 4.11Å; P610-M613 HydrophobicContact CG-SD 4.1Å; P610-Y834 HydrophobicContact CG-CD2 3.85Å; P610-Y834 HydrophobicContact CG-CE2 3.39Å; P610-P860 HydrophobicContact CB-CB 4.25Å; P610-F861 HydrophobicContact CG-CB 4.38Å; P610-F861 HydrophobicContact CG-CD1 4.36Å
611	R	86.4	Confident	88.2	Confident	168 Å²	168	64 Å²	64	63%	0.634	37%	0.367	S	S	*	.	S	Bend	trans	-77.3	-21.8	179.4	-68.6	178	173.8	-166.8	-5.5	113.6	G602 F604 T605	G602-R611 PolarHBondContact O-NE 3.5Å; G602-R611 PolarHBondContact O-NH1 3.28Å; G602-R611 PolarHBondContact O-NH2 2.98Å; F604-R611 PolarHBondContact O-NE 2.94Å; T605-R611 HydrophobicContact CG2-CG 4.19Å
612	S	88.6	Confident	89	Confident	55 Å²	55	61.5 Å²	61.5	39%	0.385	35%	0.345	S	S	.	.			trans	-148.3	158.1	174.5	61.5	0	0	0	0	109.2	P610 P860	P610-S612 VanDerWaalsContact C-N 3.34Å; S612-P860 VanDerWaalsContact O-CB 3.26Å; S612-P860 WeakPolarHBondContact O-CB 3.42Å; S612-P860 WeakPolarHBondContact O-CG 3.48Å
613	M	90.7	Very high	89.6	Confident	58 Å²	58	64.3 Å²	64.3	29%	0.286	35%	0.349	S	S	.	.	S	Bend	trans	-113.4	53.4	172.8	-68	-59.1	-72.1	0	0	110	P610 I830 N831 Y834	P610-M613 HydrophobicContact CB-SD 4.11Å; P610-M613 HydrophobicContact CG-SD 4.1Å; M613-I830 HydrophobicContact CE-CG2 4.11Å; M613-N831 WeakPolarHBondContact CE-OD1 3.17Å; M613-Y834 HydrophobicContact CE-CG 4.16Å
614	S	91.1	Very high	90	Very high	66 Å²	66	63.2 Å²	63.2	46%	0.462	34%	0.344	S	S	.	.			trans	-141.9	149.1	179.1	61.6	0	0	0	0	110.7
615	C	92.7	Very high	90.6	Very high	30 Å²	30	61.5 Å²	61.5	20%	0.203	34%	0.337	C	S	.	.			trans	-117.5	123	172.4	-176.4	0	0	0	0	109	I830 L859	C615-I830 HydrophobicContact CB-CD1 3.64Å; C615-L859 HydrophobicContact CB-CD2 4.29Å
616	P	94.6	Very high	91.3	Very high	69 Å²	69	60.1 Å²	60.1	45%	0.448	33%	0.331	S	S	.	.			trans	-67.8	170.2	176.6	28.6	-34.1	0	0	0	112.1	T618 L858	P616-T618 PolarHBondContact O-N 3.17Å; P616-L858 HydrophobicContact CG-CB 4.07Å; P616-L858 HydrophobicContact CG-CD1 4.27Å; P616-L858 HydrophobicContact CG-CD2 4.25Å; P616-L858 HydrophobicContact CG-CG 4.43Å
617	S	96.7	Very high	92.4	Very high	38 Å²	38	54.9 Å²	54.9	27%	0.266	30%	0.302	S	S	.	.			trans	-51.9	130.5	169.8	163	0	0	0	0	111.1	G619 G889 T890 H891	S617-G619 PolarHBondContact OG-N 3.13Å; S617-G889 PolarHBondContact OG-N 3.49Å; S617-T890 PolarHBondContact OG-O 3.06Å; S617-H891 WeakPolarHBondContact CA-CE1 3.28Å
618	T	98.1	Very high	93.7	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.006	27%	0.273	C	S	.	.			trans	-86.9	-10.1	174	46.4	0	0	0	0	112.8	P616 H851 R854 R855 L858 T890 H891	P616-T618 PolarHBondContact O-N 3.17Å; T618-H851 WeakPolarHBondContact CB-ND1 3.48Å; T618-H851 PolarHBondContact OG1-ND1 2.71Å; T618-R854 HydrophobicContact CG2-CB 4.09Å; T618-R854 WeakPolarHBondContact O-CD 3.35Å; T618-R854 PolarHBondContact O-NE 2.93Å; T618-R855 HydrophobicContact CG2-CB 4Å; T618-L858 HydrophobicContact CG2-CD1 3.92Å; T618-T890 PolarHBondContact N-O 3.26Å; T618-T890 PolarHBondContact OG1-O 2.98Å; T618-H891 WeakPolarHBondContact OG1-CA 3.23Å
619	G	98.3	Very high	94.8	Very high	9 Å²	9	47.9 Å²	47.9	9%	0.093	26%	0.257	C	S	.	.			trans	-65.4	164.4	175.2	0	0	0	0	0	114.2	S617 M886 L887 T890	S617-G619 PolarHBondContact OG-N 3.13Å; G619-M886 CarbonylContact C-O 3.56Å; G619-M886 WeakPolarHBondContact CA-O 3.22Å; G619-L887 WeakPolarHBondContact CA-O 3.3Å; G619-T890 WeakPolarHBondContact CA-OG1 3.3Å; G619-T890 PolarHBondContact N-O 2.97Å
620	L	98.4	Very high	95.5	Very high	16 Å²	16	47.3 Å²	47.3	8%	0.084	26%	0.256	C	S	.	.			trans	-132.4	153.4	-176.9	-69.6	172.4	0	0	0	111.7	V624 L625 F850 M886 L887 P888	L620-V624 HydrophobicContact CD1-CG1 4.4Å; L620-L625 HydrophobicContact CB-CD2 4.09Å; L620-L625 HydrophobicContact CB-CG 4.21Å; L620-L625 HydrophobicContact CD1-CD2 3.83Å; L620-F850 HydrophobicContact CD1-CE2 3.74Å; L620-F850 HydrophobicContact CD1-CZ 3.5Å; L620-F850 VanDerWaalsContact CD1-CZ 3.5Å; L620-F850 HydrophobicContact CG-CZ 3.86Å; L620-M886 PolarHBondContact N-O 3.49Å; L620-L887 WeakPolarHBondContact O-CA 3.38Å; L620-P888 VanDerWaalsContact O-CD 3.3Å; L620-P888 WeakPolarHBondContact O-CD 3.43Å
621	E	98.4	Very high	96.1	Very high	115 Å²	115	47.5 Å²	47.5	54%	0.537	26%	0.257	S	S	.	.			trans	-57.9	143.6	169.4	-58.1	-58.8	148.8	0	0	111.6	D623 V624 L625 P888	E621-D623 VanDerWaalsContact C-N 3.29Å; E621-D623 WeakPolarHBondContact CB-OD1 3.34Å; E621-D623 PolarHBondContact O-N 3Å; E621-V624 HydrophobicContact CB-CG2 4.2Å; E621-V624 WeakPolarHBondContact O-CB 3.37Å; E621-V624 PolarHBondContact O-N 2.87Å; E621-V624 VanDerWaalsContact O-N 3.11Å; E621-L625 PolarHBondContact O-N 3.44Å; E621-P888 HydrophobicContact CG-CG 4.48Å; E621-P888 WeakPolarHBondContact OE1-CG 3.41Å
622	E	98.2	Very high	96.6	Very high	68 Å²	68	39.6 Å²	39.6	32%	0.318	23%	0.228	S	C	.	.	H	α-helix	trans	-62.5	-36.7	-173.6	-165.2	-178	143.5	0	0	112.7	V624 L625 A626 R660 F883 L887	E622-V624 VanDerWaalsContact C-N 3.25Å; E622-V624 PolarHBondContact O-N 2.8Å; E622-L625 PolarHBondContact O-N 3.12Å; E622-A626 WeakPolarHBondContact O-CB 3.5Å; E622-A626 PolarHBondContact O-N 3.44Å; E622-R660 IonicContact OE1-CZ 2.73Å; E622-R660 IonicContact OE1-NH1 2.64Å; E622-R660 PolarHBondContact OE1-NH1 2.83Å; E622-R660 IonicContact OE1-NH2 3.32Å; E622-R660 IonicContact OE2-CZ 3.99Å; E622-R660 VanDerWaalsContact OE2-CZ 3.24Å; E622-R660 IonicContact OE2-NH1 2.72Å; E622-R660 PolarHBondContact OE2-NH1 3.47Å; E622-R660 IonicContact OE2-NH2 3.13Å; E622-R660 PolarHBondContact OE2-NH2 2.74Å; E622-F883 HydrophobicContact CG-CD2 4Å; E622-L887 HydrophobicContact CB-CD2 3.8Å; E622-L887 HydrophobicContact CG-CD2 4.26Å
623	D	98.3	Very high	97	Very high	109 Å²	109	37.7 Å²	37.7	58%	0.583	21%	0.214	S	C	*	.	H	α-helix	trans	-61.8	-34.9	177.8	70.5	-42.8	0	0	0	111.8	E621 H627	E621-D623 VanDerWaalsContact C-N 3.29Å; E621-D623 WeakPolarHBondContact CB-OD1 3.34Å; E621-D623 PolarHBondContact O-N 3Å; D623-H627 WeakPolarHBondContact O-CB 3.21Å; D623-H627 PolarHBondContact O-N 3.15Å
624	V	98.4	Very high	97.3	Very high	8 Å²	8	36.8 Å²	36.8	5%	0.048	21%	0.214	C	C	.	.	H	α-helix	trans	-68	-46.2	175.4	-179	0	0	0	0	110.8	L620 E621 E622 H627 I628 K677 W718	L620-V624 HydrophobicContact CD1-CG1 4.4Å; E621-V624 HydrophobicContact CB-CG2 4.2Å; E621-V624 WeakPolarHBondContact O-CB 3.37Å; E621-V624 PolarHBondContact O-N 2.87Å; E621-V624 VanDerWaalsContact O-N 3.11Å; E622-V624 VanDerWaalsContact C-N 3.25Å; E622-V624 PolarHBondContact O-N 2.8Å; V624-H627 PolarHBondContact O-N 3.35Å; V624-I628 HydrophobicContact CG1-CD1 3.78Å; V624-I628 HydrophobicContact CG1-CG1 4.48Å; V624-I628 VanDerWaalsContact O-CG1 3.28Å; V624-I628 WeakPolarHBondContact O-CG1 3.38Å; V624-I628 PolarHBondContact O-N 3.5Å; V624-K677 HydrophobicContact CG1-CD 4.33Å; V624-K677 VanDerWaalsContact CG2-NZ 3.26Å; V624-W718 HydrophobicContact CG1-CH2 4.17Å
625	L	98.6	Very high	97.6	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-59.3	-50	175.8	-63.6	177.9	0	0	0	110.6	L620 E621 E622 H627 I628 G629 M670 F850 F883 M886 L887	L620-L625 HydrophobicContact CB-CD2 4.09Å; L620-L625 HydrophobicContact CB-CG 4.21Å; L620-L625 HydrophobicContact CD1-CD2 3.83Å; E621-L625 PolarHBondContact O-N 3.44Å; E622-L625 PolarHBondContact O-N 3.12Å; L625-H627 PolarHBondContact O-N 3.26Å; L625-I628 PolarHBondContact O-N 3.49Å; L625-G629 PolarHBondContact O-N 3.2Å; L625-M670 HydrophobicContact CB-CE 4.35Å; L625-M670 HydrophobicContact CB-SD 4.22Å; L625-M670 HydrophobicContact CD2-CB 4.11Å; L625-M670 HydrophobicContact CD2-CG 4.21Å; L625-M670 HydrophobicContact CD2-SD 3.81Å; L625-M670 WeakPolarHBondContact O-CE 3.5Å; L625-F850 HydrophobicContact CD2-CE2 4.26Å; L625-F850 HydrophobicContact CD2-CZ 4.32Å; L625-F883 HydrophobicContact CB-CD2 4.1Å; L625-F883 HydrophobicContact CB-CE2 3.82Å; L625-F883 HydrophobicContact CB-CZ 4.31Å; L625-F883 HydrophobicContact CD1-CB 4.37Å; L625-F883 HydrophobicContact CD1-CD2 4.11Å; L625-F883 HydrophobicContact CD1-CG 4.18Å; L625-M886 HydrophobicContact CD1-CB 4.05Å; L625-M886 HydrophobicContact CD1-CE 4.48Å; L625-M886 HydrophobicContact CD2-CE 3.85Å; L625-L887 HydrophobicContact CD1-CD2 4.33Å
626	A	98.4	Very high	97.7	Very high	27 Å²	27	36.8 Å²	36.8	22%	0.223	21%	0.211	C	C	.	.	H	α-helix	trans	-61.1	-44.2	179.5	0	0	0	0	0	112.1	E622 G629 N630	E622-A626 WeakPolarHBondContact O-CB 3.5Å; E622-A626 PolarHBondContact O-N 3.44Å; A626-G629 PolarHBondContact O-N 3.34Å; A626-N630 WeakPolarHBondContact O-CB 3.26Å; A626-N630 PolarHBondContact O-N 3.1Å; A626-N630 PolarHBondContact O-ND2 3.42Å
627	H	98.4	Very high	97.6	Very high	66 Å²	66	35.5 Å²	35.5	31%	0.306	20%	0.202	S	C	.	.	H	α-helix	trans	-59.8	-52.5	177.2	178.3	77.7	0	0	0	111.9	D623 V624 L625 G629 N630 V631 L717 W718	D623-H627 WeakPolarHBondContact O-CB 3.21Å; D623-H627 PolarHBondContact O-N 3.15Å; V624-H627 PolarHBondContact O-N 3.35Å; L625-H627 PolarHBondContact O-N 3.26Å; H627-G629 VanDerWaalsContact C-N 3.32Å; H627-G629 PolarHBondContact O-N 3Å; H627-N630 PolarHBondContact O-N 2.96Å; H627-V631 PolarHBondContact O-N 3.24Å; H627-V631 VanDerWaalsContact O-N 3.09Å; H627-L717 PolarHBondContact NE2-O 3.24Å; H627-W718 HydrophobicContact CB-CZ2 4.49Å; H627-W718 AromaticContact CD2-CE2 3.47Å; H627-W718 VanDerWaalsContact CD2-CE2 3.47Å; H627-W718 AromaticContact CD2-CH2 3.64Å; H627-W718 AromaticContact CD2-CZ2 3.11Å; H627-W718 WeakPolarHBondContact CD2-CZ2 3.34Å; H627-W718 AromaticContact CD2-NE1 3.88Å; H627-W718 AromaticContact CG-CZ2 3.99Å; H627-W718 AromaticContact NE2-CE2 3.56Å; H627-W718 AromaticContact NE2-CZ2 3.73Å; H627-W718 AromaticContact NE2-NE1 3.66Å
628	I	98.6	Very high	97.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-60.1	-45.8	179.5	-64.1	164.6	0	0	0	110.3	V624 L625 N630 V631 A632 Y669 M670 L717 W718	V624-I628 HydrophobicContact CG1-CD1 3.78Å; V624-I628 HydrophobicContact CG1-CG1 4.48Å; V624-I628 VanDerWaalsContact O-CG1 3.28Å; V624-I628 WeakPolarHBondContact O-CG1 3.38Å; V624-I628 PolarHBondContact O-N 3.5Å; L625-I628 PolarHBondContact O-N 3.49Å; I628-N630 VanDerWaalsContact C-N 3.33Å; I628-N630 PolarHBondContact O-N 3.41Å; I628-V631 PolarHBondContact O-N 2.85Å; I628-A632 WeakPolarHBondContact O-CB 3.27Å; I628-A632 PolarHBondContact O-N 2.94Å; I628-Y669 HydrophobicContact CG2-CD1 3.57Å; I628-Y669 HydrophobicContact CG2-CE1 4.06Å; I628-M670 HydrophobicContact CB-CG 4.4Å; I628-M670 HydrophobicContact CG2-CG 4.18Å; I628-L717 HydrophobicContact CB-CD2 4.26Å; I628-L717 HydrophobicContact CG1-CD2 4.17Å; I628-L717 HydrophobicContact CG2-CD2 4.08Å; I628-W718 HydrophobicContact CD1-CH2 3.94Å; I628-W718 HydrophobicContact CD1-CZ3 4.4Å; I628-W718 HydrophobicContact CG1-CH2 3.52Å; I628-W718 HydrophobicContact CG1-CZ3 4.02Å
629	G	98.3	Very high	97.3	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-62.8	-37.3	179.7	0	0	0	0	0	113.3	L625 A626 H627 A632 S633	L625-G629 PolarHBondContact O-N 3.2Å; A626-G629 PolarHBondContact O-N 3.34Å; H627-G629 VanDerWaalsContact C-N 3.32Å; H627-G629 PolarHBondContact O-N 3Å; G629-A632 PolarHBondContact O-N 3.26Å; G629-S633 WeakPolarHBondContact O-CB 3.5Å; G629-S633 PolarHBondContact O-N 2.88Å; G629-S633 VanDerWaalsContact O-N 3.16Å; G629-S633 PolarHBondContact O-OG 3.2Å
630	N	98.3	Very high	97.2	Very high	76 Å²	76	48.8 Å²	48.8	41%	0.406	26%	0.261	S	S	.	.	H	α-helix	trans	-64.7	-43.2	175	-77.6	-42.3	0	0	0	111.7	A626 H627 I628 S633 S634	A626-N630 WeakPolarHBondContact O-CB 3.26Å; A626-N630 PolarHBondContact O-N 3.1Å; A626-N630 PolarHBondContact O-ND2 3.42Å; H627-N630 PolarHBondContact O-N 2.96Å; I628-N630 VanDerWaalsContact C-N 3.33Å; I628-N630 PolarHBondContact O-N 3.41Å; N630-S633 PolarHBondContact O-N 3.09Å; N630-S634 WeakPolarHBondContact O-CB 3.42Å
631	V	98.1	Very high	97.1	Very high	18 Å²	18	50.8 Å²	50.8	11%	0.109	28%	0.275	C	S	.	.	H	α-helix	trans	-65.6	-43.3	176	175.7	0	0	0	0	111	H627 I628 S633 S634 P713 L717	H627-V631 PolarHBondContact O-N 3.24Å; H627-V631 VanDerWaalsContact O-N 3.09Å; I628-V631 PolarHBondContact O-N 2.85Å; V631-S633 PolarHBondContact O-N 3.05Å; V631-S634 WeakPolarHBondContact CA-OG 3.35Å; V631-S634 PolarHBondContact O-N 3.09Å; V631-S634 PolarHBondContact O-OG 3.05Å; V631-P713 HydrophobicContact CG1-CB 4.39Å; V631-P713 WeakPolarHBondContact CG1-O 3.32Å; V631-L717 HydrophobicContact CB-CD2 3.66Å; V631-L717 HydrophobicContact CG1-CD2 3.74Å; V631-L717 HydrophobicContact CG1-CG 4.47Å; V631-L717 HydrophobicContact CG2-CD2 4.04Å
632	A	97.5	Very high	97.1	Very high	3 Å²	3	46.7 Å²	46.7	3%	0.025	26%	0.256	C	S	.	.	H	α-helix	trans	-60.8	-17.1	176.5	0	0	0	0	0	114.1	I628 G629 L650 R653 L666 Y669	I628-A632 WeakPolarHBondContact O-CB 3.27Å; I628-A632 PolarHBondContact O-N 2.94Å; G629-A632 PolarHBondContact O-N 3.26Å; A632-L650 WeakPolarHBondContact O-CD2 2.92Å; A632-R653 WeakPolarHBondContact O-CD 3.25Å; A632-R653 PolarHBondContact O-NH1 2.9Å; A632-L666 HydrophobicContact CB-CD1 4.08Å; A632-Y669 HydrophobicContact CB-CD1 3.55Å; A632-Y669 HydrophobicContact CB-CD2 3.79Å; A632-Y669 HydrophobicContact CB-CE1 3.56Å; A632-Y669 HydrophobicContact CB-CE2 3.81Å; A632-Y669 HydrophobicContact CB-CG 3.67Å
633	S	97.6	Very high	97.1	Very high	14 Å²	14	48.8 Å²	48.8	10%	0.098	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	14	179.4	-52.3	0	0	0	0	112.7	G629 N630 V631 L650 R653 K654	G629-S633 WeakPolarHBondContact O-CB 3.5Å; G629-S633 PolarHBondContact O-N 2.88Å; G629-S633 VanDerWaalsContact O-N 3.16Å; G629-S633 PolarHBondContact O-OG 3.2Å; N630-S633 PolarHBondContact O-N 3.09Å; V631-S633 PolarHBondContact O-N 3.05Å; S633-L650 WeakPolarHBondContact CB-O 3.39Å; S633-R653 VanDerWaalsContact OG-C 3.25Å; S633-R653 WeakPolarHBondContact OG-CB 3.31Å; S633-K654 PolarHBondContact OG-N 3.16Å; S633-K654 VanDerWaalsContact OG-N 3.12Å
634	S	96.2	Very high	97	Very high	40 Å²	40	46.1 Å²	46.1	28%	0.28	26%	0.264	S	S	.	.	S	Bend	trans	-133.9	170.2	-171.5	79.6	0	0	0	0	112.8	N630 V631	N630-S634 WeakPolarHBondContact O-CB 3.42Å; V631-S634 WeakPolarHBondContact CA-OG 3.35Å; V631-S634 PolarHBondContact O-N 3.09Å; V631-S634 PolarHBondContact O-OG 3.05Å
635	V	97.1	Very high	96.8	Very high	44 Å²	44	47.5 Å²	47.5	27%	0.267	28%	0.28	S	S	.	.			trans	-116.2	99.1	169.2	-176.6	0	0	0	0	106.3	V637 F640 I642 L650 L701	V635-V637 HydrophobicContact CG1-CG2 3.73Å; V635-V637 PolarHBondContact O-N 3.05Å; V635-F640 HydrophobicContact CG1-CB 3.86Å; V635-F640 HydrophobicContact CG1-CD1 3.79Å; V635-F640 HydrophobicContact CG1-CG 4.02Å; V635-I642 HydrophobicContact CG2-CD1 3.92Å; V635-I642 HydrophobicContact CG2-CG1 4.43Å; V635-I642 HydrophobicContact CG2-CG2 3.87Å; V635-L650 HydrophobicContact CG2-CD1 3.96Å; V635-L701 HydrophobicContact CG1-CD1 4.48Å; V635-L701 HydrophobicContact CG2-CD1 3.88Å
636	P	94.5	Very high	96.7	Very high	51 Å²	51	48.4 Å²	48.4	33%	0.331	28%	0.284	S	S	.	.			trans	-80.3	18.3	-169.3	32.5	-36.4	0	0	0	113.7	P713 H716	P636-P713 HydrophobicContact CG-CB 3.92Å; P636-P713 HydrophobicContact CG-CG 4.48Å; P636-H716 HydrophobicContact CB-CB 3.9Å; P636-H716 HydrophobicContact CG-CB 3.81Å
637	V	94.3	Very high	96.6	Very high	42 Å²	42	49.7 Å²	49.7	26%	0.255	29%	0.292	S	S	.	.	S	Bend	trans	-127.6	137.6	-177.3	-71.7	0	0	0	0	110.1	V635 F640 C711	V635-V637 HydrophobicContact CG1-CG2 3.73Å; V635-V637 PolarHBondContact O-N 3.05Å; V637-F640 HydrophobicContact CB-CB 4.5Å; V637-F640 HydrophobicContact CG2-CB 3.53Å; V637-F640 HydrophobicContact CG2-CD1 4.48Å; V637-F640 HydrophobicContact CG2-CD2 3.57Å; V637-F640 HydrophobicContact CG2-CE2 4.39Å; V637-F640 HydrophobicContact CG2-CG 3.62Å; V637-C711 HydrophobicContact CG2-CB 3.77Å
638	E	93	Very high	96.5	Very high	162 Å²	162	55.8 Å²	55.8	76%	0.757	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	152.4	179.7	-64.1	-174.2	175	0	0	112.2	F640 R709	E638-F640 PolarHBondContact O-N 3.24Å; E638-R709 PolarHBondContact O-NH2 2.79Å
639	N	93.6	Very high	96.4	Very high	142 Å²	142	58.3 Å²	58.3	76%	0.759	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	35.6	176.5	-56.8	-46.7	0	0	0	113.6	R709	N639-R709 PolarHBondContact O-NH1 2.9Å
640	F	97.3	Very high	96.3	Very high	23 Å²	23	58.9 Å²	58.9	10%	0.101	33%	0.328	C	S	.	.			trans	-109.7	117.1	-178.3	-166.9	-77.1	0	0	0	110.4	V635 V637 E638 I642 L701 D703 R709 C711	V635-F640 HydrophobicContact CG1-CB 3.86Å; V635-F640 HydrophobicContact CG1-CD1 3.79Å; V635-F640 HydrophobicContact CG1-CG 4.02Å; V637-F640 HydrophobicContact CB-CB 4.5Å; V637-F640 HydrophobicContact CG2-CB 3.53Å; V637-F640 HydrophobicContact CG2-CD1 4.48Å; V637-F640 HydrophobicContact CG2-CD2 3.57Å; V637-F640 HydrophobicContact CG2-CE2 4.39Å; V637-F640 HydrophobicContact CG2-CG 3.62Å; E638-F640 PolarHBondContact O-N 3.24Å; F640-I642 HydrophobicContact CD1-CG2 3.78Å; F640-I642 HydrophobicContact CE1-CG2 3.77Å; F640-L701 HydrophobicContact CE1-CB 3.88Å; F640-L701 HydrophobicContact CZ-CB 4.16Å; F640-L701 WeakPolarHBondContact CZ-O 3.35Å; F640-D703 HydrophobicContact CD2-CB 4.23Å; F640-D703 HydrophobicContact CE1-CB 4.26Å; F640-D703 HydrophobicContact CE2-CB 3.92Å; F640-D703 HydrophobicContact CZ-CB 3.93Å; F640-R709 HydrophobicContact CD2-CG 4.35Å; F640-R709 HydrophobicContact CE2-CG 4.03Å; F640-C711 HydrophobicContact CD2-CB 4.22Å; F640-C711 HydrophobicContact CE2-CB 3.72Å; F640-C711 HydrophobicContact CZ-CB 3.89Å
641	T	97.2	Very high	96.3	Very high	59 Å²	59	61.7 Å²	61.7	36%	0.362	34%	0.337	S	S	.	.			trans	-96.8	114.1	-174.7	-55	0	0	0	0	110.2	D703 Q704 N705	T641-D703 CarbonylContact O-C 3.21Å; T641-D703 WeakPolarHBondContact O-CA 3.25Å; T641-Q704 HydrophobicContact CG2-CB 4.18Å; T641-Q704 WeakPolarHBondContact O-CG 3.41Å; T641-Q704 PolarHBondContact O-N 3.08Å; T641-N705 WeakPolarHBondContact CB-ND2 3.38Å; T641-N705 PolarHBondContact OG1-ND2 3.14Å
642	I	97.3	Very high	96.2	Very high	28 Å²	28	63.5 Å²	63.5	14%	0.144	35%	0.348	C	S	.	.			trans	-94.4	156.9	175.5	58.5	168.6	0	0	0	112.3	V635 F640 L646 S647 L650 L701	V635-I642 HydrophobicContact CG2-CD1 3.92Å; V635-I642 HydrophobicContact CG2-CG1 4.43Å; V635-I642 HydrophobicContact CG2-CG2 3.87Å; F640-I642 HydrophobicContact CD1-CG2 3.78Å; F640-I642 HydrophobicContact CE1-CG2 3.77Å; I642-L646 HydrophobicContact CB-CD2 3.97Å; I642-L646 HydrophobicContact CD1-CB 4.49Å; I642-L646 HydrophobicContact CD1-CD2 4.39Å; I642-L646 HydrophobicContact CD1-CG 4.24Å; I642-L646 HydrophobicContact CG2-CD2 4Å; I642-S647 WeakPolarHBondContact CD1-OG 3.33Å; I642-L650 HydrophobicContact CD1-CD1 3.7Å; I642-L701 HydrophobicContact CG2-CB 4.39Å; I642-L701 HydrophobicContact CG2-CD1 4.25Å
643	H	97.5	Very high	96.2	Very high	112 Å²	112	63.7 Å²	63.7	52%	0.519	35%	0.348	S	S	.	.			trans	-61.7	140.2	173.3	-175	-95.4	0	0	0	111.7	G645 L646 S647 Q704	H643-G645 VanDerWaalsContact C-N 3.27Å; H643-G645 PolarHBondContact ND1-N 2.83Å; H643-G645 VanDerWaalsContact ND1-N 3.14Å; H643-G645 PolarHBondContact O-N 3.47Å; H643-G645 VanDerWaalsContact O-N 3.16Å; H643-L646 WeakPolarHBondContact O-CA 3.39Å; H643-L646 VanDerWaalsContact O-CB 3.31Å; H643-L646 WeakPolarHBondContact O-CB 3.36Å; H643-L646 PolarHBondContact O-N 3.38Å; H643-S647 PolarHBondContact O-N 3.14Å; H643-Q704 HydrophobicContact CB-CG 4.31Å
644	G	96.3	Very high	96.3	Very high	54 Å²	54	68.8 Å²	68.8	56%	0.557	37%	0.368	S	S	*	.	H	α-helix	trans	-59.1	-32.4	-175.4	0	0	0	0	0	114.8	L646 S647 R648	G644-L646 VanDerWaalsContact C-N 3.31Å; G644-L646 PolarHBondContact O-N 2.82Å; G644-S647 WeakPolarHBondContact O-CB 3.25Å; G644-S647 PolarHBondContact O-N 3.13Å; G644-R648 PolarHBondContact O-N 3.43Å
645	G	95.8	Very high	96.4	Very high	37 Å²	37	71.1 Å²	71.1	38%	0.381	38%	0.375	S	S	.	.	H	α-helix	trans	-63.8	-34.5	172.5	0	0	0	0	0	113.4	H643 R648 I649	H643-G645 VanDerWaalsContact C-N 3.27Å; H643-G645 PolarHBondContact ND1-N 2.83Å; H643-G645 VanDerWaalsContact ND1-N 3.14Å; H643-G645 PolarHBondContact O-N 3.47Å; H643-G645 VanDerWaalsContact O-N 3.16Å; G645-R648 WeakPolarHBondContact O-CB 3.21Å; G645-R648 PolarHBondContact O-N 2.91Å; G645-I649 PolarHBondContact O-N 2.98Å
646	L	95.8	Very high	96.4	Very high	18 Å²	18	69.3 Å²	69.3	9%	0.094	36%	0.364	C	S	.	.	H	α-helix	trans	-72.9	-36.8	177.2	-178.9	61.7	0	0	0	111.2	I642 H643 G644 R648 I649 L650 H698 L701	I642-L646 HydrophobicContact CB-CD2 3.97Å; I642-L646 HydrophobicContact CD1-CB 4.49Å; I642-L646 HydrophobicContact CD1-CD2 4.39Å; I642-L646 HydrophobicContact CD1-CG 4.24Å; I642-L646 HydrophobicContact CG2-CD2 4Å; H643-L646 WeakPolarHBondContact O-CA 3.39Å; H643-L646 VanDerWaalsContact O-CB 3.31Å; H643-L646 WeakPolarHBondContact O-CB 3.36Å; H643-L646 PolarHBondContact O-N 3.38Å; G644-L646 VanDerWaalsContact C-N 3.31Å; G644-L646 PolarHBondContact O-N 2.82Å; L646-R648 PolarHBondContact O-N 3.13Å; L646-I649 HydrophobicContact CD1-CB 4.43Å; L646-I649 WeakPolarHBondContact O-CB 3.42Å; L646-I649 PolarHBondContact O-N 3.21Å; L646-L650 HydrophobicContact CD1-CG 4.43Å; L646-L650 HydrophobicContact CG-CG 4.41Å; L646-L650 WeakPolarHBondContact O-CG 3.39Å; L646-L650 PolarHBondContact O-N 3.05Å; L646-H698 HydrophobicContact CD1-CB 3.84Å; L646-L701 HydrophobicContact CD1-CD2 4.41Å; L646-L701 HydrophobicContact CD2-CB 4.47Å; L646-L701 HydrophobicContact CD2-CD2 3.68Å; L646-L701 HydrophobicContact CD2-CG 4.45Å
647	S	95.9	Very high	96.6	Very high	55 Å²	55	67.4 Å²	67.4	39%	0.385	35%	0.351	S	S	.	.	H	α-helix	trans	-55.4	-37.1	173	-52.3	0	0	0	0	112.1	I642 H643 G644 K651	I642-S647 WeakPolarHBondContact CD1-OG 3.33Å; H643-S647 PolarHBondContact O-N 3.14Å; G644-S647 WeakPolarHBondContact O-CB 3.25Å; G644-S647 PolarHBondContact O-N 3.13Å; S647-K651 WeakPolarHBondContact O-CB 3.38Å; S647-K651 PolarHBondContact O-N 3.32Å
648	R	96.3	Very high	96.8	Very high	194 Å²	194	70.3 Å²	70.3	73%	0.732	37%	0.369	S	S	*	.	H	α-helix	trans	-66.6	-43.7	174.7	-173.1	178.3	-178.4	171	1.1	112	G644 G645 L646 K651 T652	G644-R648 PolarHBondContact O-N 3.43Å; G645-R648 WeakPolarHBondContact O-CB 3.21Å; G645-R648 PolarHBondContact O-N 2.91Å; L646-R648 PolarHBondContact O-N 3.13Å; R648-K651 PolarHBondContact O-N 3.09Å; R648-T652 PolarHBondContact O-N 3.43Å; R648-T652 PolarHBondContact O-OG1 2.88Å
649	I	96.3	Very high	97	Very high	53 Å²	53	67.7 Å²	67.7	27%	0.272	36%	0.36	S	S	.	.	H	α-helix	trans	-61.2	-48.1	177.8	-66.1	172	0	0	0	110.6	G645 L646 K651 T652 R653 H698	G645-I649 PolarHBondContact O-N 2.98Å; L646-I649 HydrophobicContact CD1-CB 4.43Å; L646-I649 WeakPolarHBondContact O-CB 3.42Å; L646-I649 PolarHBondContact O-N 3.21Å; I649-K651 VanDerWaalsContact C-N 3.32Å; I649-K651 PolarHBondContact O-N 2.87Å; I649-T652 PolarHBondContact O-N 3.47Å; I649-R653 PolarHBondContact O-N 3.17Å; I649-H698 WeakPolarHBondContact CD1-NE2 3.35Å
650	L	97.4	Very high	97.2	Very high	11 Å²	11	65 Å²	65	6%	0.058	34%	0.34	C	S	.	.	H	α-helix	trans	-62.1	-39.7	178.3	-63.9	-175.5	0	0	0	111.9	A632 S633 V635 I642 L646 R653 K654	A632-L650 WeakPolarHBondContact O-CD2 2.92Å; S633-L650 WeakPolarHBondContact CB-O 3.39Å; V635-L650 HydrophobicContact CG2-CD1 3.96Å; I642-L650 HydrophobicContact CD1-CD1 3.7Å; L646-L650 HydrophobicContact CD1-CG 4.43Å; L646-L650 HydrophobicContact CG-CG 4.41Å; L646-L650 WeakPolarHBondContact O-CG 3.39Å; L646-L650 PolarHBondContact O-N 3.05Å; L650-R653 PolarHBondContact O-N 3.07Å; L650-K654 PolarHBondContact O-N 2.9Å
651	K	97.8	Very high	97.3	Very high	136 Å²	136	65.3 Å²	65.3	59%	0.591	34%	0.343	S	S	*	.	H	α-helix	trans	-61	-45.1	173.7	-175.5	-178.7	175.1	-174.6	0	112	S647 R648 I649 R653 K654 E655	S647-K651 WeakPolarHBondContact O-CB 3.38Å; S647-K651 PolarHBondContact O-N 3.32Å; R648-K651 PolarHBondContact O-N 3.09Å; I649-K651 VanDerWaalsContact C-N 3.32Å; I649-K651 PolarHBondContact O-N 2.87Å; K651-R653 VanDerWaalsContact C-N 3.34Å; K651-R653 PolarHBondContact O-N 3.02Å; K651-K654 WeakPolarHBondContact O-CB 3.31Å; K651-K654 PolarHBondContact O-N 2.91Å; K651-K654 VanDerWaalsContact O-N 3.17Å; K651-E655 VanDerWaalsContact CE-OE1 3.26Å; K651-E655 WeakPolarHBondContact CE-OE1 3.32Å; K651-E655 WeakPolarHBondContact O-CG 3.4Å; K651-E655 PolarHBondContact O-N 2.65Å
652	T	96.8	Very high	97.3	Very high	56 Å²	56	62.5 Å²	62.5	34%	0.344	33%	0.326	S	S	.	.	H	α-helix	trans	-63	-39	177.3	-63.9	0	0	0	0	112	R648 I649 K654 E655 L656	R648-T652 PolarHBondContact O-N 3.43Å; R648-T652 PolarHBondContact O-OG1 2.88Å; I649-T652 PolarHBondContact O-N 3.47Å; T652-K654 VanDerWaalsContact C-N 3.32Å; T652-K654 PolarHBondContact O-N 3.41Å; T652-E655 WeakPolarHBondContact O-CB 3.41Å; T652-E655 PolarHBondContact O-N 3.19Å; T652-L656 WeakPolarHBondContact O-CG 3.45Å; T652-L656 PolarHBondContact O-N 2.88Å
653	R	97.5	Very high	97.3	Very high	7 Å²	7	62.8 Å²	62.8	3%	0.026	33%	0.328	C	S	.	.	H	α-helix	trans	-60.5	-42.6	172.6	-69.8	178.6	179.1	170	-1.4	111.8	A632 S633 I649 L650 K651 E655 L656 V657 H696 R697	A632-R653 WeakPolarHBondContact O-CD 3.25Å; A632-R653 PolarHBondContact O-NH1 2.9Å; S633-R653 VanDerWaalsContact OG-C 3.25Å; S633-R653 WeakPolarHBondContact OG-CB 3.31Å; I649-R653 PolarHBondContact O-N 3.17Å; L650-R653 PolarHBondContact O-N 3.07Å; K651-R653 VanDerWaalsContact C-N 3.34Å; K651-R653 PolarHBondContact O-N 3.02Å; R653-E655 VanDerWaalsContact C-N 3.32Å; R653-E655 PolarHBondContact O-N 2.9Å; R653-L656 WeakPolarHBondContact O-CB 3.37Å; R653-L656 PolarHBondContact O-N 2.93Å; R653-V657 WeakPolarHBondContact O-CG2 3.28Å; R653-V657 PolarHBondContact O-N 2.99Å; R653-H696 PolarHBondContact NH2-O 2.76Å; R653-R697 PolarHBondContact NH2-O 3.47Å
654	K	98.3	Very high	97.4	Very high	120 Å²	120	57.7 Å²	57.7	52%	0.522	30%	0.304	S	S	.	.	H	α-helix	trans	-60	-42.5	176.1	-169.4	170	-177.6	171.2	0	112	S633 L650 K651 T652 V657 T658	S633-K654 PolarHBondContact OG-N 3.16Å; S633-K654 VanDerWaalsContact OG-N 3.12Å; L650-K654 PolarHBondContact O-N 2.9Å; K651-K654 WeakPolarHBondContact O-CB 3.31Å; K651-K654 PolarHBondContact O-N 2.91Å; K651-K654 VanDerWaalsContact O-N 3.17Å; T652-K654 VanDerWaalsContact C-N 3.32Å; T652-K654 PolarHBondContact O-N 3.41Å; K654-V657 PolarHBondContact O-N 2.9Å; K654-T658 PolarHBondContact O-N 3.46Å; K654-T658 PolarHBondContact O-OG1 3.16Å; K654-T658 VanDerWaalsContact O-OG1 3.13Å
655	E	98.3	Very high	97.4	Very high	89 Å²	89	55.3 Å²	55.3	42%	0.416	28%	0.279	S	S	.	.	H	α-helix	trans	-62.3	-42.3	176	-69.9	166.2	-177.5	0	0	111.8	K651 T652 R653 T658 N659	K651-E655 VanDerWaalsContact CE-OE1 3.26Å; K651-E655 WeakPolarHBondContact CE-OE1 3.32Å; K651-E655 WeakPolarHBondContact O-CG 3.4Å; K651-E655 PolarHBondContact O-N 2.65Å; T652-E655 WeakPolarHBondContact O-CB 3.41Å; T652-E655 PolarHBondContact O-N 3.19Å; R653-E655 VanDerWaalsContact C-N 3.32Å; R653-E655 PolarHBondContact O-N 2.9Å; E655-T658 PolarHBondContact O-N 3.08Å; E655-N659 WeakPolarHBondContact O-CB 3.41Å; E655-N659 VanDerWaalsContact O-CG 3.22Å; E655-N659 PolarHBondContact O-N 2.87Å; E655-N659 PolarHBondContact O-ND2 2.79Å; E655-N659 VanDerWaalsContact O-ND2 3.12Å
656	L	98	Very high	97.6	Very high	6 Å²	6	53.6 Å²	53.6	3%	0.031	26%	0.262	C	S	.	.	H	α-helix	trans	-59.5	-47.1	175.2	-71.6	174.5	0	0	0	111.7	T652 R653 N659 R660 T661 D663 L666	T652-L656 WeakPolarHBondContact O-CG 3.45Å; T652-L656 PolarHBondContact O-N 2.88Å; R653-L656 WeakPolarHBondContact O-CB 3.37Å; R653-L656 PolarHBondContact O-N 2.93Å; L656-N659 CarbonylContact O-C 3.48Å; L656-N659 PolarHBondContact O-N 3.28Å; L656-N659 VanDerWaalsContact O-N 3.16Å; L656-R660 PolarHBondContact O-N 2.82Å; L656-T661 CarbonylContact C-O 3.38Å; L656-T661 WeakPolarHBondContact CB-O 3.37Å; L656-T661 PolarHBondContact O-N 2.75Å; L656-T661 PolarHBondContact O-OG1 3.33Å; L656-D663 HydrophobicContact CD1-CB 4.06Å; L656-L666 HydrophobicContact CB-CD2 4.07Å
657	V	98.3	Very high	97.7	Very high	11 Å²	11	52.8 Å²	52.8	7%	0.067	26%	0.257	C	S	.	.	H	α-helix	trans	-60.2	-47.6	177.2	175.9	0	0	0	0	111.2	R653 K654 N659 R660 L666 M670 F883	R653-V657 WeakPolarHBondContact O-CG2 3.28Å; R653-V657 PolarHBondContact O-N 2.99Å; K654-V657 PolarHBondContact O-N 2.9Å; V657-N659 PolarHBondContact O-N 2.87Å; V657-R660 PolarHBondContact O-N 2.92Å; V657-L666 HydrophobicContact CG2-CD1 4.44Å; V657-L666 HydrophobicContact CG2-CD2 3.7Å; V657-M670 HydrophobicContact CG2-CE 4.46Å; V657-F883 HydrophobicContact CG1-CZ 4.47Å
658	T	98	Very high	97.8	Very high	104 Å²	104	50.3 Å²	50.3	64%	0.638	24%	0.24	S	C	*	.	H	α-helix	trans	-59.8	-35.2	176.6	-63	0	0	0	0	112.2	K654 E655 R660	K654-T658 PolarHBondContact O-N 3.46Å; K654-T658 PolarHBondContact O-OG1 3.16Å; K654-T658 VanDerWaalsContact O-OG1 3.13Å; E655-T658 PolarHBondContact O-N 3.08Å; T658-R660 VanDerWaalsContact C-N 3.25Å; T658-R660 PolarHBondContact O-N 2.92Å
659	N	98	Very high	97.9	Very high	106 Å²	106	41.2 Å²	41.2	57%	0.567	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.9	6	177.6	-67	-28.3	0	0	0	113.8	E655 L656 V657 T661	E655-N659 WeakPolarHBondContact O-CB 3.41Å; E655-N659 VanDerWaalsContact O-CG 3.22Å; E655-N659 PolarHBondContact O-N 2.87Å; E655-N659 PolarHBondContact O-ND2 2.79Å; E655-N659 VanDerWaalsContact O-ND2 3.12Å; L656-N659 CarbonylContact O-C 3.48Å; L656-N659 PolarHBondContact O-N 3.28Å; L656-N659 VanDerWaalsContact O-N 3.16Å; V657-N659 PolarHBondContact O-N 2.87Å; N659-T661 PolarHBondContact O-N 3.33Å
660	R	98.2	Very high	98.1	Very high	86 Å²	86	38.7 Å²	38.7	33%	0.325	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	55	38.6	-175.7	-58.6	168.7	59	107.1	1.4	112.8	E622 L656 V657 T658 N882 F883 D884	E622-R660 IonicContact OE1-CZ 2.73Å; E622-R660 IonicContact OE1-NH1 2.64Å; E622-R660 PolarHBondContact OE1-NH1 2.83Å; E622-R660 IonicContact OE1-NH2 3.32Å; E622-R660 IonicContact OE2-CZ 3.99Å; E622-R660 VanDerWaalsContact OE2-CZ 3.24Å; E622-R660 IonicContact OE2-NH1 2.72Å; E622-R660 PolarHBondContact OE2-NH1 3.47Å; E622-R660 IonicContact OE2-NH2 3.13Å; E622-R660 PolarHBondContact OE2-NH2 2.74Å; L656-R660 PolarHBondContact O-N 2.82Å; V657-R660 PolarHBondContact O-N 2.92Å; T658-R660 VanDerWaalsContact C-N 3.25Å; T658-R660 PolarHBondContact O-N 2.92Å; R660-N882 WeakPolarHBondContact O-CA 3.24Å; R660-F883 HydrophobicContact CB-CB 4.3Å; R660-F883 HydrophobicContact CB-CD1 4.48Å; R660-F883 HydrophobicContact CB-CD2 4.38Å; R660-F883 HydrophobicContact CB-CG 4.15Å; R660-F883 WeakPolarHBondContact O-CD1 3.38Å; R660-F883 PolarHBondContact O-N 2.94Å; R660-D884 IonicContact CZ-OD1 3.95Å; R660-D884 IonicContact NH2-OD1 3.07Å; R660-D884 PolarHBondContact NH2-OD1 3.28Å
661	T	98.2	Very high	98.1	Very high	29 Å²	29	38.1 Å²	38.1	18%	0.178	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	156	179.3	55.1	0	0	0	0	111.3	L656 N659 T881	L656-T661 CarbonylContact C-O 3.38Å; L656-T661 WeakPolarHBondContact CB-O 3.37Å; L656-T661 PolarHBondContact O-N 2.75Å; L656-T661 PolarHBondContact O-OG1 3.33Å; N659-T661 PolarHBondContact O-N 3.33Å; T661-T881 CarbonylContact C-O 3.56Å; T661-T881 VanDerWaalsContact CA-O 3.25Å; T661-T881 WeakPolarHBondContact CA-O 3.5Å
662	V	98.1	Very high	98.2	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	147.7	175.8	-60.9	0	0	0	0	111.7	L666 A667 M670 P846 R880 T881 F883 M886	V662-L666 HydrophobicContact CB-CB 4.32Å; V662-L666 HydrophobicContact CB-CD2 4.4Å; V662-L666 HydrophobicContact CB-CG 4.44Å; V662-L666 HydrophobicContact CG1-CB 4.49Å; V662-L666 HydrophobicContact CG1-CD2 4Å; V662-L666 HydrophobicContact CG1-CG 4.08Å; V662-A667 HydrophobicContact CB-CB 4.35Å; V662-A667 HydrophobicContact CG2-CB 4.03Å; V662-M670 HydrophobicContact CG1-CE 3.77Å; V662-M670 HydrophobicContact CG1-SD 3.59Å; V662-M670 VanDerWaalsContact CG1-SD 3.59Å; V662-P846 HydrophobicContact CG2-CB 3.98Å; V662-R880 VanDerWaalsContact O-CA 3.26Å; V662-R880 WeakPolarHBondContact O-CA 3.49Å; V662-T881 HydrophobicContact CG2-CG2 4.38Å; V662-T881 PolarHBondContact N-O 3.1Å; V662-T881 PolarHBondContact O-N 3.49Å; V662-F883 HydrophobicContact CG1-CD1 4.02Å; V662-F883 HydrophobicContact CG1-CE1 3.51Å; V662-M886 HydrophobicContact CG1-SD 4.44Å; V662-M886 HydrophobicContact CG2-SD 3.69Å
663	D	97.8	Very high	98.2	Very high	34 Å²	34	29 Å²	29	18%	0.182	15%	0.145	C	C	.	.			trans	-99	-177.2	161.2	66.8	9.2	0	0	0	110.2	L656 A665 L666 A667	L656-D663 HydrophobicContact CD1-CB 4.06Å; D663-A665 PolarHBondContact O-N 3.38Å; D663-A665 PolarHBondContact OD1-N 3.23Å; D663-L666 PolarHBondContact O-N 2.81Å; D663-L666 VanDerWaalsContact OD1-CB 3.3Å; D663-L666 WeakPolarHBondContact OD1-CB 3.1Å; D663-L666 PolarHBondContact OD1-N 3.44Å; D663-A667 VanDerWaalsContact O-CB 3.31Å; D663-A667 WeakPolarHBondContact O-CB 3.43Å; D663-A667 PolarHBondContact O-N 3.13Å
664	W	98.3	Very high	98.3	Very high	5 Å²	5	28.7 Å²	28.7	2%	0.019	14%	0.144	C	C	.	.	H	α-helix	trans	-58.2	-46.9	-177.9	-96.1	-104.5	0	0	0	113.2	L666 A667 E668 S844 P846 P870 L873 L874 A879	W664-L666 VanDerWaalsContact C-N 3.35Å; W664-L666 PolarHBondContact O-N 3.45Å; W664-A667 PolarHBondContact O-N 3.06Å; W664-E668 WeakPolarHBondContact O-CB 3.42Å; W664-E668 PolarHBondContact O-N 2.7Å; W664-S844 WeakPolarHBondContact CH2-O 3.49Å; W664-S844 WeakPolarHBondContact CZ2-O 3.49Å; W664-P846 HydrophobicContact CD2-CB 4.41Å; W664-P846 HydrophobicContact CD2-CG 4.09Å; W664-P846 HydrophobicContact CE3-CB 4.24Å; W664-P846 HydrophobicContact CE3-CG 3.49Å; W664-P846 VanDerWaalsContact CE3-CG 3.49Å; W664-P846 HydrophobicContact CH2-CG 4.01Å; W664-P846 HydrophobicContact CZ3-CB 4.47Å; W664-P846 HydrophobicContact CZ3-CG 3.4Å; W664-P846 VanDerWaalsContact CZ3-CG 3.4Å; W664-P870 VanDerWaalsContact CD1-CG 3.48Å; W664-P870 HydrophobicContact CD2-CG 4.19Å; W664-P870 HydrophobicContact CG-CG 4.09Å; W664-P870 HydrophobicContact CZ2-CG 4.35Å; W664-L873 HydrophobicContact CE3-CB 4.45Å; W664-L873 HydrophobicContact CH2-CB 3.96Å; W664-L873 HydrophobicContact CH2-CD1 4.17Å; W664-L873 HydrophobicContact CZ2-CB 4.06Å; W664-L873 HydrophobicContact CZ2-CD1 4.01Å; W664-L873 HydrophobicContact CZ3-CB 4.17Å; W664-L874 HydrophobicContact CB-CD2 3.66Å; W664-L874 HydrophobicContact CG-CD2 3.97Å; W664-A879 HydrophobicContact CE3-CB 4.26Å; W664-A879 HydrophobicContact CH2-CB 3.54Å; W664-A879 HydrophobicContact CZ3-CB 3.19Å; W664-A879 VanDerWaalsContact CZ3-O 3.24Å; W664-A879 WeakPolarHBondContact CZ3-O 3.39Å
665	A	97.4	Very high	98.3	Very high	5 Å²	5	23 Å²	23	4%	0.041	12%	0.119	C	C	.	.	H	α-helix	trans	-66.2	-40.6	-176.2	0	0	0	0	0	111	D663 Y669 H696	D663-A665 PolarHBondContact O-N 3.38Å; D663-A665 PolarHBondContact OD1-N 3.23Å; A665-Y669 WeakPolarHBondContact O-CB 3.44Å; A665-Y669 PolarHBondContact O-N 3.3Å; A665-H696 VanDerWaalsContact CB-O 3.22Å; A665-H696 WeakPolarHBondContact CB-O 3.21Å
666	L	98.3	Very high	98.3	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.005	10%	0.099	C	C	.	.	H	α-helix	trans	-71.9	-37.3	178.9	-170.4	59.3	0	0	0	112.3	A632 L656 V657 V662 D663 W664 Y669 M670	A632-L666 HydrophobicContact CB-CD1 4.08Å; L656-L666 HydrophobicContact CB-CD2 4.07Å; V657-L666 HydrophobicContact CG2-CD1 4.44Å; V657-L666 HydrophobicContact CG2-CD2 3.7Å; V662-L666 HydrophobicContact CB-CB 4.32Å; V662-L666 HydrophobicContact CB-CD2 4.4Å; V662-L666 HydrophobicContact CB-CG 4.44Å; V662-L666 HydrophobicContact CG1-CB 4.49Å; V662-L666 HydrophobicContact CG1-CD2 4Å; V662-L666 HydrophobicContact CG1-CG 4.08Å; D663-L666 PolarHBondContact O-N 2.81Å; D663-L666 VanDerWaalsContact OD1-CB 3.3Å; D663-L666 WeakPolarHBondContact OD1-CB 3.1Å; D663-L666 PolarHBondContact OD1-N 3.44Å; W664-L666 VanDerWaalsContact C-N 3.35Å; W664-L666 PolarHBondContact O-N 3.45Å; L666-Y669 PolarHBondContact O-N 3.28Å; L666-M670 HydrophobicContact CD1-CE 4.08Å; L666-M670 HydrophobicContact CD2-CE 4.01Å; L666-M670 HydrophobicContact CG-CE 3.76Å; L666-M670 HydrophobicContact CG-SD 4.4Å; L666-M670 WeakPolarHBondContact O-CB 3.15Å; L666-M670 VanDerWaalsContact O-CG 3.31Å; L666-M670 WeakPolarHBondContact O-CG 3.34Å; L666-M670 PolarHBondContact O-N 3.27Å
667	A	98.6	Very high	98.3	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-64.1	-42.7	174.2	0	0	0	0	0	112	V662 D663 W664 M670 A671 P846 F850	V662-A667 HydrophobicContact CB-CB 4.35Å; V662-A667 HydrophobicContact CG2-CB 4.03Å; D663-A667 VanDerWaalsContact O-CB 3.31Å; D663-A667 WeakPolarHBondContact O-CB 3.43Å; D663-A667 PolarHBondContact O-N 3.13Å; W664-A667 PolarHBondContact O-N 3.06Å; A667-M670 PolarHBondContact O-N 2.71Å; A667-A671 PolarHBondContact O-N 3.39Å; A667-P846 HydrophobicContact CB-CB 3.58Å; A667-P846 WeakPolarHBondContact CB-O 3.06Å; A667-F850 HydrophobicContact CB-CB 4.2Å
668	E	98.7	Very high	98.2	Very high	4 Å²	4	26.8 Å²	26.8	2%	0.019	13%	0.134	C	C	.	.	H	α-helix	trans	-57.5	-49.4	171.5	-170.4	-168.2	86.2	0	0	110.9	W664 M670 A671 F672 R697 H699 F849 L853	W664-E668 WeakPolarHBondContact O-CB 3.42Å; W664-E668 PolarHBondContact O-N 2.7Å; E668-M670 VanDerWaalsContact C-N 3.31Å; E668-M670 PolarHBondContact O-N 3.48Å; E668-A671 PolarHBondContact O-N 3.06Å; E668-A671 VanDerWaalsContact O-N 3.16Å; E668-F672 HydrophobicContact CG-CD2 4.14Å; E668-F672 HydrophobicContact CG-CE1 4.06Å; E668-F672 HydrophobicContact CG-CE2 3.54Å; E668-F672 HydrophobicContact CG-CZ 3.48Å; E668-F672 VanDerWaalsContact CG-CZ 3.48Å; E668-F672 WeakPolarHBondContact O-CG 3.19Å; E668-F672 PolarHBondContact O-N 3.35Å; E668-R697 VanDerWaalsContact OE1-CD 3.26Å; E668-R697 WeakPolarHBondContact OE1-CD 3.04Å; E668-R697 IonicContact OE1-CZ 3.75Å; E668-R697 IonicContact OE1-NE 3.47Å; E668-R697 PolarHBondContact OE1-NE 3.21Å; E668-R697 IonicContact OE1-NH2 2.77Å; E668-R697 IonicContact OE2-CZ 3.67Å; E668-R697 IonicContact OE2-NE 3.72Å; E668-R697 PolarHBondContact OE2-NE 2.95Å; E668-R697 IonicContact OE2-NH2 3.74Å; E668-R697 PolarHBondContact OE2-NH2 3.42Å; E668-H699 IonicContact OE1-CE1 2.81Å; E668-H699 PolarHBondContact OE1-CE1 2.9Å; E668-H699 IonicContact OE1-NE2 3.62Å; E668-F849 HydrophobicContact CB-CD1 4.45Å; E668-F849 HydrophobicContact CB-CE1 3.88Å; E668-F849 HydrophobicContact CG-CE1 3.95Å; E668-L853 HydrophobicContact CG-CD1 4.46Å
669	Y	98.6	Very high	98.1	Very high	2 Å²	2	24.2 Å²	24.2	1%	0.008	13%	0.129	C	C	.	.	H	α-helix	trans	-59.8	-41.4	-179.9	-153.4	-67	0	0	0	112	I628 A632 A665 L666 G673 H699 P713 M714 L717	I628-Y669 HydrophobicContact CG2-CD1 3.57Å; I628-Y669 HydrophobicContact CG2-CE1 4.06Å; A632-Y669 HydrophobicContact CB-CD1 3.55Å; A632-Y669 HydrophobicContact CB-CD2 3.79Å; A632-Y669 HydrophobicContact CB-CE1 3.56Å; A632-Y669 HydrophobicContact CB-CE2 3.81Å; A632-Y669 HydrophobicContact CB-CG 3.67Å; A665-Y669 WeakPolarHBondContact O-CB 3.44Å; A665-Y669 PolarHBondContact O-N 3.3Å; L666-Y669 PolarHBondContact O-N 3.28Å; Y669-G673 PolarHBondContact O-N 2.92Å; Y669-H699 AromaticContact CD2-CD2 3.48Å; Y669-H699 VanDerWaalsContact CD2-CD2 3.48Å; Y669-H699 WeakPolarHBondContact CD2-CD2 3.43Å; Y669-H699 AromaticContact CD2-NE2 3.22Å; Y669-H699 WeakPolarHBondContact CD2-NE2 3.33Å; Y669-H699 AromaticContact CE2-CD2 3.61Å; Y669-H699 AromaticContact CE2-NE2 3.84Å; Y669-P713 VanDerWaalsContact OH-C 3.3Å; Y669-P713 WeakPolarHBondContact OH-CB 3.26Å; Y669-M714 HydrophobicContact CD1-CE 3.43Å; Y669-M714 VanDerWaalsContact CD1-CE 3.43Å; Y669-M714 HydrophobicContact CD2-CE 3.47Å; Y669-M714 VanDerWaalsContact CD2-CE 3.47Å; Y669-M714 HydrophobicContact CE1-CB 4.08Å; Y669-M714 HydrophobicContact CE1-CE 3.53Å; Y669-M714 HydrophobicContact CE1-CG 3.97Å; Y669-M714 HydrophobicContact CE2-CB 4.46Å; Y669-M714 HydrophobicContact CE2-CE 3.57Å; Y669-M714 HydrophobicContact CG-CE 3.4Å; Y669-M714 VanDerWaalsContact CG-CE 3.4Å; Y669-M714 VanDerWaalsContact OH-CA 3.22Å; Y669-M714 WeakPolarHBondContact OH-CA 3.27Å; Y669-M714 WeakPolarHBondContact OH-CB 3.47Å; Y669-M714 PolarHBondContact OH-N 3.42Å; Y669-L717 HydrophobicContact CE1-CD2 4.44Å
670	M	98.8	Very high	98.1	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-67.2	-39.8	176.2	-73.2	172.4	179.6	0	0	112.2	L625 I628 V657 V662 L666 A667 E668 S674 F850 F883 M886	L625-M670 HydrophobicContact CB-CE 4.35Å; L625-M670 HydrophobicContact CB-SD 4.22Å; L625-M670 HydrophobicContact CD2-CB 4.11Å; L625-M670 HydrophobicContact CD2-CG 4.21Å; L625-M670 HydrophobicContact CD2-SD 3.81Å; L625-M670 WeakPolarHBondContact O-CE 3.5Å; I628-M670 HydrophobicContact CB-CG 4.4Å; I628-M670 HydrophobicContact CG2-CG 4.18Å; V657-M670 HydrophobicContact CG2-CE 4.46Å; V662-M670 HydrophobicContact CG1-CE 3.77Å; V662-M670 HydrophobicContact CG1-SD 3.59Å; V662-M670 VanDerWaalsContact CG1-SD 3.59Å; L666-M670 HydrophobicContact CD1-CE 4.08Å; L666-M670 HydrophobicContact CD2-CE 4.01Å; L666-M670 HydrophobicContact CG-CE 3.76Å; L666-M670 HydrophobicContact CG-SD 4.4Å; L666-M670 WeakPolarHBondContact O-CB 3.15Å; L666-M670 VanDerWaalsContact O-CG 3.31Å; L666-M670 WeakPolarHBondContact O-CG 3.34Å; L666-M670 PolarHBondContact O-N 3.27Å; A667-M670 PolarHBondContact O-N 2.71Å; E668-M670 VanDerWaalsContact C-N 3.31Å; E668-M670 PolarHBondContact O-N 3.48Å; M670-S674 VanDerWaalsContact O-CB 3.24Å; M670-S674 WeakPolarHBondContact O-CB 3.24Å; M670-S674 PolarHBondContact O-N 3.19Å; M670-S674 PolarHBondContact O-OG 2.99Å; M670-F850 HydrophobicContact CB-CD2 4.11Å; M670-F850 HydrophobicContact CB-CE2 4.05Å; M670-F883 HydrophobicContact CE-CE1 3.89Å; M670-F883 HydrophobicContact CE-CZ 3.62Å; M670-M886 HydrophobicContact CB-CE 4.44Å; M670-M886 HydrophobicContact SD-CE 3.95Å
671	A	98.8	Very high	98.1	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-62.4	-50.1	175.6	0	0	0	0	0	110.6	A667 E668 S674 L675 F850 L853 R854	A667-A671 PolarHBondContact O-N 3.39Å; E668-A671 PolarHBondContact O-N 3.06Å; E668-A671 VanDerWaalsContact O-N 3.16Å; A671-S674 PolarHBondContact O-OG 2.94Å; A671-L675 WeakPolarHBondContact O-CG 3.37Å; A671-L675 PolarHBondContact O-N 2.69Å; A671-F850 HydrophobicContact CB-CD2 3.65Å; A671-F850 HydrophobicContact CB-CE2 4.25Å; A671-F850 HydrophobicContact CB-CG 4.35Å; A671-L853 HydrophobicContact CB-CB 4.05Å; A671-L853 HydrophobicContact CB-CD1 3.99Å; A671-R854 HydrophobicContact CB-CG 4.31Å
672	F	98.8	Very high	98.1	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-64.2	-52.3	178.6	-63.5	-8.4	0	0	0	111.4	E668 S674 L675 L676 V682 L684 H699 M714 Y724 L751 L753 L853	E668-F672 HydrophobicContact CG-CD2 4.14Å; E668-F672 HydrophobicContact CG-CE1 4.06Å; E668-F672 HydrophobicContact CG-CE2 3.54Å; E668-F672 HydrophobicContact CG-CZ 3.48Å; E668-F672 VanDerWaalsContact CG-CZ 3.48Å; E668-F672 WeakPolarHBondContact O-CG 3.19Å; E668-F672 PolarHBondContact O-N 3.35Å; F672-S674 VanDerWaalsContact C-N 3.25Å; F672-S674 PolarHBondContact O-N 3.34Å; F672-L675 PolarHBondContact O-N 2.72Å; F672-L675 VanDerWaalsContact O-N 3.09Å; F672-L676 WeakPolarHBondContact O-CG 3.37Å; F672-L676 PolarHBondContact O-N 3.35Å; F672-V682 HydrophobicContact CB-CG1 4.27Å; F672-V682 HydrophobicContact CB-CG2 4.47Å; F672-V682 HydrophobicContact CD1-CG1 3.98Å; F672-V682 HydrophobicContact CD2-CG1 4.19Å; F672-V682 HydrophobicContact CE1-CG1 4.38Å; F672-V682 HydrophobicContact CG-CG1 3.89Å; F672-L684 HydrophobicContact CE2-CD2 4.37Å; F672-H699 AromaticContact CD2-CE1 3.99Å; F672-M714 HydrophobicContact CB-CE 3.98Å; F672-M714 HydrophobicContact CB-SD 3.72Å; F672-M714 HydrophobicContact CD2-CE 4.17Å; F672-M714 HydrophobicContact CD2-SD 4.31Å; F672-Y724 HydrophobicContact CD2-CE2 4.07Å; F672-L751 HydrophobicContact CD1-CD2 3.9Å; F672-L751 HydrophobicContact CE1-CD2 3.84Å; F672-L753 HydrophobicContact CE1-CD1 4.04Å; F672-L753 HydrophobicContact CE1-CD2 3.91Å; F672-L753 HydrophobicContact CZ-CD1 3.99Å; F672-L753 HydrophobicContact CZ-CD2 3.83Å; F672-L853 HydrophobicContact CD1-CD1 4.47Å; F672-L853 HydrophobicContact CE1-CD1 3.81Å; F672-L853 HydrophobicContact CE1-CD2 4.44Å
673	G	98.5	Very high	98.1	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-57.4	-36.9	-177.4	0	0	0	0	0	113.7	Y669 L676 K677 L717	Y669-G673 PolarHBondContact O-N 2.92Å; G673-L676 PolarHBondContact O-N 3.13Å; G673-K677 PolarHBondContact O-N 3.2Å; G673-K677 VanDerWaalsContact O-N 3.16Å; G673-L717 VanDerWaalsContact CA-CD1 3.41Å
674	S	98.5	Very high	98.2	Very high	1 Å²	1	13.6 Å²	13.6	1%	0.007	8%	0.077	C	C	.	.	H	α-helix	trans	-69.5	-39.9	176.9	63.2	0	0	0	0	113.2	M670 A671 F672 L676 K677 E678 R854	M670-S674 VanDerWaalsContact O-CB 3.24Å; M670-S674 WeakPolarHBondContact O-CB 3.24Å; M670-S674 PolarHBondContact O-N 3.19Å; M670-S674 PolarHBondContact O-OG 2.99Å; A671-S674 PolarHBondContact O-OG 2.94Å; F672-S674 VanDerWaalsContact C-N 3.25Å; F672-S674 PolarHBondContact O-N 3.34Å; S674-L676 VanDerWaalsContact C-N 3.31Å; S674-L676 PolarHBondContact O-N 3.44Å; S674-K677 VanDerWaalsContact O-CB 3.32Å; S674-K677 WeakPolarHBondContact O-CB 3.46Å; S674-K677 PolarHBondContact O-N 2.71Å; S674-E678 WeakPolarHBondContact O-CG 3.49Å; S674-E678 PolarHBondContact O-N 3.43Å; S674-E678 VanDerWaalsContact O-N 3.13Å; S674-R854 PolarHBondContact OG-NH1 3.28Å
675	L	98.5	Very high	98.2	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-64.2	-38.1	174.2	-69.5	173.7	0	0	0	111.3	A671 F672 K677 E678 G679 I680 V682 L751 R854 I857	A671-L675 WeakPolarHBondContact O-CG 3.37Å; A671-L675 PolarHBondContact O-N 2.69Å; F672-L675 PolarHBondContact O-N 2.72Å; F672-L675 VanDerWaalsContact O-N 3.09Å; L675-K677 VanDerWaalsContact C-N 3.3Å; L675-K677 PolarHBondContact O-N 2.78Å; L675-E678 CarbonylContact O-C 3.51Å; L675-E678 WeakPolarHBondContact O-CA 3.33Å; L675-E678 WeakPolarHBondContact O-CB 3.47Å; L675-E678 PolarHBondContact O-N 2.9Å; L675-G679 PolarHBondContact O-N 3.21Å; L675-I680 HydrophobicContact CB-CB 4.04Å; L675-I680 HydrophobicContact CB-CG2 4.28Å; L675-I680 HydrophobicContact CD2-CG1 4.45Å; L675-I680 VanDerWaalsContact O-CB 3.31Å; L675-I680 WeakPolarHBondContact O-CB 3.47Å; L675-I680 PolarHBondContact O-N 3.06Å; L675-V682 HydrophobicContact CB-CG2 4.11Å; L675-L751 HydrophobicContact CD1-CB 4.37Å; L675-L751 HydrophobicContact CD1-CD2 3.68Å; L675-R854 HydrophobicContact CG-CG 4.41Å; L675-I857 HydrophobicContact CD1-CG1 3.99Å; L675-I857 HydrophobicContact CD2-CB 3.97Å; L675-I857 HydrophobicContact CD2-CG1 4.08Å; L675-I857 HydrophobicContact CD2-CG2 4.1Å
676	L	98.4	Very high	98.2	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-61.6	-39	174.5	-59.1	169.3	0	0	0	111.8	F672 G673 S674 E678 G679 V682 M714 L717 Q721 A722 P723 Y724	F672-L676 WeakPolarHBondContact O-CG 3.37Å; F672-L676 PolarHBondContact O-N 3.35Å; G673-L676 PolarHBondContact O-N 3.13Å; S674-L676 VanDerWaalsContact C-N 3.31Å; S674-L676 PolarHBondContact O-N 3.44Å; L676-E678 VanDerWaalsContact C-N 3.26Å; L676-E678 PolarHBondContact O-N 3.39Å; L676-G679 PolarHBondContact O-N 3.5Å; L676-V682 HydrophobicContact CD2-CB 4.05Å; L676-V682 HydrophobicContact CD2-CG2 3.89Å; L676-V682 HydrophobicContact CG-CG2 4.25Å; L676-M714 HydrophobicContact CD1-CG 3.58Å; L676-M714 HydrophobicContact CD1-SD 3.91Å; L676-L717 HydrophobicContact CD1-CD1 4.23Å; L676-Q721 HydrophobicContact CB-CB 4.32Å; L676-A722 HydrophobicContact CD2-CB 4.35Å; L676-A722 WeakPolarHBondContact CD2-O 3.42Å; L676-A722 PolarHBondContact O-N 3.15Å; L676-P723 WeakPolarHBondContact CD2-O 3.31Å; L676-Y724 HydrophobicContact CD1-CG 4.4Å
677	K	97.4	Very high	98.2	Very high	101 Å²	101	13.7 Å²	13.7	44%	0.439	8%	0.076	S	C	.	.	H	α-helix	trans	-61.7	-36.1	173.5	-169.5	-173.2	178.2	-179.2	0	112	V624 G673 S674 L675 G679 W718	V624-K677 HydrophobicContact CG1-CD 4.33Å; V624-K677 VanDerWaalsContact CG2-NZ 3.26Å; G673-K677 PolarHBondContact O-N 3.2Å; G673-K677 VanDerWaalsContact O-N 3.16Å; S674-K677 VanDerWaalsContact O-CB 3.32Å; S674-K677 WeakPolarHBondContact O-CB 3.46Å; S674-K677 PolarHBondContact O-N 2.71Å; L675-K677 VanDerWaalsContact C-N 3.3Å; L675-K677 PolarHBondContact O-N 2.78Å; K677-G679 PolarHBondContact O-N 3.02Å; K677-W718 HydrophobicContact CB-CD2 4.48Å; K677-W718 HydrophobicContact CB-CE3 3.81Å; K677-W718 HydrophobicContact CB-CH2 4.11Å; K677-W718 HydrophobicContact CB-CZ3 3.63Å; K677-W718 HydrophobicContact CD-CD2 4.42Å; K677-W718 HydrophobicContact CD-CE3 4.42Å; K677-W718 HydrophobicContact CD-CH2 3.76Å; K677-W718 HydrophobicContact CD-CZ2 3.73Å; K677-W718 HydrophobicContact CD-CZ3 4.13Å; K677-W718 HydrophobicContact CG-CD2 4.15Å; K677-W718 HydrophobicContact CG-CE3 3.98Å; K677-W718 HydrophobicContact CG-CH2 4.19Å; K677-W718 HydrophobicContact CG-CZ2 4.32Å; K677-W718 HydrophobicContact CG-CZ3 4.03Å
678	E	96.3	Very high	98.2	Very high	84 Å²	84	16.6 Å²	16.6	39%	0.393	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	3	178.3	-66.9	167.7	-155.2	0	0	113.2	S674 L675 L676 I680 R854	S674-E678 WeakPolarHBondContact O-CG 3.49Å; S674-E678 PolarHBondContact O-N 3.43Å; S674-E678 VanDerWaalsContact O-N 3.13Å; L675-E678 CarbonylContact O-C 3.51Å; L675-E678 WeakPolarHBondContact O-CA 3.33Å; L675-E678 WeakPolarHBondContact O-CB 3.47Å; L675-E678 PolarHBondContact O-N 2.9Å; L676-E678 VanDerWaalsContact C-N 3.26Å; L676-E678 PolarHBondContact O-N 3.39Å; E678-I680 HydrophobicContact CB-CG1 4.26Å; E678-R854 IonicContact OE1-CZ 3.74Å; E678-R854 VanDerWaalsContact OE1-CZ 3.27Å; E678-R854 IonicContact OE1-NH1 2.69Å; E678-R854 PolarHBondContact OE1-NH1 2.81Å; E678-R854 IonicContact OE1-NH2 3.05Å; E678-R854 PolarHBondContact OE1-NH2 2.75Å; E678-R854 IonicContact OE2-NH1 3.13Å; E678-R854 IonicContact OE2-NH2 2.62Å
679	G	96.3	Very high	98.2	Very high	51 Å²	51	16.4 Å²	16.4	53%	0.526	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.5	13.9	179.6	0	0	0	0	0	114.1	L675 L676 K677	L675-G679 PolarHBondContact O-N 3.21Å; L676-G679 PolarHBondContact O-N 3.5Å; K677-G679 PolarHBondContact O-N 3.02Å
680	I	97.7	Very high	98.2	Very high	19 Å²	19	18 Å²	18	10%	0.097	10%	0.098	C	C	.	.			trans	-93.5	122.2	-179	-54.8	-64.2	0	0	0	109.3	L675 E678 V682 A722 N749 I857	L675-I680 HydrophobicContact CB-CB 4.04Å; L675-I680 HydrophobicContact CB-CG2 4.28Å; L675-I680 HydrophobicContact CD2-CG1 4.45Å; L675-I680 VanDerWaalsContact O-CB 3.31Å; L675-I680 WeakPolarHBondContact O-CB 3.47Å; L675-I680 PolarHBondContact O-N 3.06Å; E678-I680 HydrophobicContact CB-CG1 4.26Å; I680-V682 PolarHBondContact O-N 2.81Å; I680-A722 WeakPolarHBondContact O-CB 3.37Å; I680-N749 HydrophobicContact CD1-CB 4.05Å; I680-I857 HydrophobicContact CD1-CG2 3.86Å; I680-I857 HydrophobicContact CG1-CG2 3.91Å; I680-I857 HydrophobicContact CG2-CD1 4.06Å; I680-I857 HydrophobicContact CG2-CG1 4.1Å; I680-I857 HydrophobicContact CG2-CG2 4.06Å
681	H	97.8	Very high	98.2	Very high	7 Å²	7	23.3 Å²	23.3	3%	0.032	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	131.5	173.4	173.9	-151.8	0	0	0	110	F404 Y405 P723 T725 F743 A750 L751	F404-H681 AromaticContact CD1-CE1 3.95Å; F404-H681 AromaticContact CD1-ND1 3.91Å; F404-H681 HydrophobicContact CE1-CB 4.48Å; F404-H681 AromaticContact CE1-CE1 3.37Å; F404-H681 WeakPolarHBondContact CE1-CE1 3.2Å; F404-H681 AromaticContact CE1-CG 3.75Å; F404-H681 AromaticContact CE1-ND1 3.25Å; F404-H681 VanDerWaalsContact CE1-ND1 3.25Å; F404-H681 WeakPolarHBondContact CE1-ND1 3.3Å; F404-H681 AromaticContact CE1-NE2 3.93Å; F404-H681 AromaticContact CZ-CD2 3.88Å; F404-H681 AromaticContact CZ-CE1 3.41Å; F404-H681 VanDerWaalsContact CZ-CE1 3.41Å; F404-H681 WeakPolarHBondContact CZ-CE1 3.1Å; F404-H681 AromaticContact CZ-CG 3.98Å; F404-H681 AromaticContact CZ-ND1 3.71Å; F404-H681 AromaticContact CZ-NE2 3.53Å; Y405-H681 HydrophobicContact CE1-CB 4.42Å; Y405-H681 AromaticContact CE1-ND1 3.98Å; Y405-H681 AromaticContact CZ-ND1 3.86Å; Y405-H681 PolarHBondContact OH-ND1 2.88Å; Y405-H681 VanDerWaalsContact OH-ND1 3.15Å; H681-P723 PolarHBondContact CD2-O 2.79Å; H681-T725 PolarHBondContact NE2-OG1 3.17Å; H681-F743 AromaticContact CE1-CE1 3.67Å; H681-F743 AromaticContact CE1-CZ 3.69Å; H681-F743 AromaticContact ND1-CE1 3.95Å; H681-A750 HydrophobicContact CB-CB 4.24Å; H681-A750 CarbonylContact O-C 3.56Å; H681-A750 VanDerWaalsContact O-CA 3.25Å; H681-A750 WeakPolarHBondContact O-CA 3.47Å; H681-L751 PolarHBondContact O-N 2.68Å
682	V	98.7	Very high	98.1	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	124.6	171	-178.3	0	0	0	0	109.2	F672 L675 L676 I680 Y724 T725 L751 L753	F672-V682 HydrophobicContact CB-CG1 4.27Å; F672-V682 HydrophobicContact CB-CG2 4.47Å; F672-V682 HydrophobicContact CD1-CG1 3.98Å; F672-V682 HydrophobicContact CD2-CG1 4.19Å; F672-V682 HydrophobicContact CE1-CG1 4.38Å; F672-V682 HydrophobicContact CG-CG1 3.89Å; L675-V682 HydrophobicContact CB-CG2 4.11Å; L676-V682 HydrophobicContact CD2-CB 4.05Å; L676-V682 HydrophobicContact CD2-CG2 3.89Å; L676-V682 HydrophobicContact CG-CG2 4.25Å; I680-V682 PolarHBondContact O-N 2.81Å; V682-Y724 HydrophobicContact CB-CD2 3.88Å; V682-Y724 HydrophobicContact CB-CE2 4.4Å; V682-Y724 HydrophobicContact CG1-CD2 3.91Å; V682-Y724 HydrophobicContact CG1-CE2 3.91Å; V682-Y724 WeakPolarHBondContact O-CD2 3.36Å; V682-T725 PolarHBondContact O-N 2.93Å; V682-L751 CarbonylContact C-O 3.53Å; V682-L751 WeakPolarHBondContact CA-O 3.13Å; V682-L751 HydrophobicContact CG1-CB 4.42Å; V682-L751 HydrophobicContact CG1-CD2 4.26Å; V682-L751 HydrophobicContact CG2-CB 4.17Å; V682-L751 HydrophobicContact CG2-CD2 4.47Å; V682-L753 HydrophobicContact CG1-CD1 3.86Å
683	R	98.5	Very high	98.1	Very high	6 Å²	6	24.3 Å²	24.3	2%	0.023	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	119.3	175.2	179.2	175	168.8	92.5	1.5	110.1	S442 T725 E740 L751 V752 L753	S442-R683 PolarHBondContact O-NH1 2.63Å; S442-R683 PolarHBondContact O-NH2 3.4Å; R683-T725 CarbonylContact C-O 3.51Å; R683-T725 VanDerWaalsContact CA-O 3.24Å; R683-T725 WeakPolarHBondContact CA-O 3.45Å; R683-T725 HydrophobicContact CG-CG2 4.31Å; R683-E740 WeakPolarHBondContact CD-OE2 3.31Å; R683-E740 IonicContact CZ-OE1 2.79Å; R683-E740 IonicContact CZ-OE2 3.96Å; R683-E740 IonicContact NE-OE1 3.76Å; R683-E740 PolarHBondContact NE-OE1 3.39Å; R683-E740 IonicContact NE-OE2 3.76Å; R683-E740 PolarHBondContact NE-OE2 3.37Å; R683-E740 IonicContact NH2-OE1 3.21Å; R683-E740 PolarHBondContact NH2-OE1 2.99Å; R683-E740 IonicContact NH2-OE2 2.8Å; R683-L751 PolarHBondContact N-O 3.33Å; R683-V752 WeakPolarHBondContact O-CA 3.26Å; R683-L753 WeakPolarHBondContact O-CD1 3.39Å; R683-L753 PolarHBondContact O-N 3.31Å
684	L	98.8	Very high	98	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	120.9	174.6	174.5	62.4	0	0	0	110.1	F672 V689 Y724 T725 V726 C727 L753 E755 L789	F672-L684 HydrophobicContact CE2-CD2 4.37Å; L684-V689 HydrophobicContact CD1-CG1 4.44Å; L684-V689 HydrophobicContact CD2-CB 4.15Å; L684-V689 HydrophobicContact CG-CB 4.02Å; L684-V689 HydrophobicContact CG-CG1 4.46Å; L684-V689 HydrophobicContact CG-CG2 4.18Å; L684-Y724 HydrophobicContact CB-CE2 4.39Å; L684-T725 PolarHBondContact N-O 2.89Å; L684-V726 HydrophobicContact CB-CG2 4.32Å; L684-V726 HydrophobicContact CD2-CG2 4.17Å; L684-V726 HydrophobicContact CG-CG2 4.35Å; L684-V726 WeakPolarHBondContact O-CA 3.45Å; L684-C727 PolarHBondContact O-N 2.85Å; L684-L753 HydrophobicContact CD1-CB 3.83Å; L684-E755 HydrophobicContact CD1-CB 4.32Å; L684-L789 HydrophobicContact CD1-CD1 4.26Å
685	S	98.6	Very high	98	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	143.7	-175.2	177.6	0	0	0	0	111.2	Y443 E740 L753 W754 E755	Y443-S685 PolarHBondContact OH-OG 3.26Å; S685-E740 WeakPolarHBondContact CB-OE1 3.38Å; S685-E740 VanDerWaalsContact OG-CD 3.31Å; S685-E740 PolarHBondContact OG-OE1 3.08Å; S685-L753 PolarHBondContact N-O 3.28Å; S685-W754 CarbonylContact O-C 3.52Å; S685-W754 VanDerWaalsContact O-CA 3.3Å; S685-W754 WeakPolarHBondContact O-CA 3.33Å; S685-E755 PolarHBondContact O-N 3.33Å
686	G	98.6	Very high	97.9	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	151.4	177.2	179.2	0	0	0	0	0	112.1	D688 V689 N728 S729 E755	G686-D688 PolarHBondContact O-N 2.95Å; G686-V689 WeakPolarHBondContact O-CG2 3.35Å; G686-N728 CarbonylContact O-C 3.51Å; G686-N728 WeakPolarHBondContact O-CA 3.49Å; G686-S729 PolarHBondContact O-N 2.85Å; G686-S729 PolarHBondContact O-OG 2.73Å; G686-E755 WeakPolarHBondContact CA-O 3.42Å
687	Q	98.5	Very high	97.9	Very high	13 Å²	13	29.1 Å²	29.1	6%	0.061	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	124.3	-177.5	-64.2	164.9	14.6	0	0	110.3	V689 S729 L731 E733 Q757	Q687-V689 PolarHBondContact O-N 3.14Å; Q687-V689 VanDerWaalsContact O-N 3.14Å; Q687-S729 WeakPolarHBondContact CG-OG 3.06Å; Q687-S729 PolarHBondContact N-OG 3.04Å; Q687-L731 HydrophobicContact CG-CD1 4.08Å; Q687-E733 PolarHBondContact NE2-OE1 3.04Å; Q687-Q757 HydrophobicContact CB-CB 4.34Å
688	D	97.9	Very high	97.9	Very high	61 Å²	61	25.3 Å²	25.3	33%	0.326	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	17.9	178.6	-53.3	-72.5	0	0	0	115.8	G686 E690 R691 G692 N728 Q757	G686-D688 PolarHBondContact O-N 2.95Å; D688-E690 PolarHBondContact O-N 2.76Å; D688-R691 PolarHBondContact O-N 3.17Å; D688-G692 CarbonylContact O-C 3.5Å; D688-G692 VanDerWaalsContact O-CA 3.3Å; D688-G692 WeakPolarHBondContact O-CA 3.45Å; D688-G692 PolarHBondContact O-N 3.22Å; D688-N728 WeakPolarHBondContact CA-OD1 3.44Å; D688-N728 PolarHBondContact N-OD1 2.67Å; D688-Q757 PolarHBondContact OD2-NE2 3.18Å
689	V	98.5	Very high	98	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-28.2	-174.6	-65.7	0	0	0	0	113.4	L684 G686 Q687 R691 G692 R697 V726 C727 N728 E755	L684-V689 HydrophobicContact CD1-CG1 4.44Å; L684-V689 HydrophobicContact CD2-CB 4.15Å; L684-V689 HydrophobicContact CG-CB 4.02Å; L684-V689 HydrophobicContact CG-CG1 4.46Å; L684-V689 HydrophobicContact CG-CG2 4.18Å; G686-V689 WeakPolarHBondContact O-CG2 3.35Å; Q687-V689 PolarHBondContact O-N 3.14Å; Q687-V689 VanDerWaalsContact O-N 3.14Å; V689-R691 VanDerWaalsContact C-N 3.34Å; V689-R691 PolarHBondContact O-N 3.03Å; V689-G692 PolarHBondContact O-N 3.21Å; V689-R697 VanDerWaalsContact O-CD 3.31Å; V689-R697 WeakPolarHBondContact O-CD 3.48Å; V689-R697 PolarHBondContact O-NH1 3.05Å; V689-V726 HydrophobicContact CG2-CG2 4.01Å; V689-C727 VanDerWaalsContact CG2-O 3.28Å; V689-C727 WeakPolarHBondContact CG2-O 3.25Å; V689-N728 PolarHBondContact N-OD1 2.91Å; V689-E755 HydrophobicContact CG1-CB 3.77Å; V689-E755 HydrophobicContact CG1-CG 4.37Å
690	E	98.1	Very high	98	Very high	34 Å²	34	19.3 Å²	19.3	16%	0.159	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-43.3	179.7	-71.2	176.3	-158.8	0	0	112.5	D688 H698 H699 V700 V726 N728	D688-E690 PolarHBondContact O-N 2.76Å; E690-H698 CarbonylContact O-C 3.32Å; E690-H699 PolarHBondContact O-N 2.84Å; E690-V700 HydrophobicContact CB-CB 3.94Å; E690-V700 HydrophobicContact CB-CG2 3.56Å; E690-V700 HydrophobicContact CG-CB 4.31Å; E690-V700 HydrophobicContact CG-CG2 3.48Å; E690-V700 VanDerWaalsContact CG-CG2 3.48Å; E690-V700 PolarHBondContact O-N 3.26Å; E690-V726 HydrophobicContact CB-CG2 4.47Å; E690-V726 HydrophobicContact CG-CG1 4.34Å; E690-V726 HydrophobicContact CG-CG2 3.86Å; E690-N728 WeakPolarHBondContact CB-OD1 3.1Å; E690-N728 VanDerWaalsContact CD-CG 3.44Å; E690-N728 WeakPolarHBondContact CG-OD1 3.03Å; E690-N728 PolarHBondContact N-OD1 3.3Å; E690-N728 VanDerWaalsContact N-OD1 3.11Å; E690-N728 PolarHBondContact OE1-N 3.09Å; E690-N728 PolarHBondContact OE1-ND2 2.86Å; E690-N728 PolarHBondContact OE2-ND2 2.86Å; E690-N728 VanDerWaalsContact OE2-ND2 3.11Å
691	R	98.2	Very high	98.1	Very high	113 Å²	113	18.5 Å²	18.5	43%	0.426	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-31.7	172.7	-169.9	-163.9	72.5	-164.1	2.7	111.3	D688 V689 T693 R697 H698	D688-R691 PolarHBondContact O-N 3.17Å; V689-R691 VanDerWaalsContact C-N 3.34Å; V689-R691 PolarHBondContact O-N 3.03Å; R691-T693 PolarHBondContact NH2-O 2.92Å; R691-R697 PolarHBondContact O-N 3.2Å; R691-R697 VanDerWaalsContact O-N 3.11Å; R691-H698 PolarHBondContact O-N 3.04Å
692	G	97.9	Very high	98	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.109	C	C	.	.			trans	79.9	137.3	-160.7	0	0	0	0	0	110.7	D688 V689 F694 S695	D688-G692 CarbonylContact O-C 3.5Å; D688-G692 VanDerWaalsContact O-CA 3.3Å; D688-G692 WeakPolarHBondContact O-CA 3.45Å; D688-G692 PolarHBondContact O-N 3.22Å; V689-G692 PolarHBondContact O-N 3.21Å; G692-F694 PolarHBondContact O-N 3.31Å; G692-S695 WeakPolarHBondContact O-CA 2.99Å; G692-S695 PolarHBondContact O-N 3.03Å
693	T	97.9	Very high	98	Very high	21 Å²	21	23.3 Å²	23.3	13%	0.129	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.7	-47.5	177.4	-51.9	0	0	0	0	111.1	R691 S695 Q757 F758	R691-T693 PolarHBondContact NH2-O 2.92Å; T693-S695 VanDerWaalsContact C-N 3.25Å; T693-S695 PolarHBondContact O-N 2.65Å; T693-Q757 HydrophobicContact CG2-CG 3.48Å; T693-Q757 VanDerWaalsContact CG2-CG 3.48Å; T693-Q757 WeakPolarHBondContact OG1-CG 3.19Å; T693-F758 HydrophobicContact CG2-CE2 4.01Å
694	F	97.6	Very high	97.9	Very high	39 Å²	39	27.8 Å²	27.8	17%	0.171	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	9.7	-179.6	-50.3	-75.2	0	0	0	114.4	G692 H696 F758 P791 K871 L874 R875	G692-F694 PolarHBondContact O-N 3.31Å; F694-H696 VanDerWaalsContact C-N 3.34Å; F694-H696 PolarHBondContact O-N 2.86Å; F694-F758 AromaticContact CE1-CE1 3.85Å; F694-F758 HydrophobicContact CE1-CE1 3.85Å; F694-F758 HydrophobicContact CE1-CE2 4.33Å; F694-F758 AromaticContact CE1-CZ 3.6Å; F694-F758 HydrophobicContact CE1-CZ 3.6Å; F694-F758 HydrophobicContact CZ-CD1 4.33Å; F694-F758 AromaticContact CZ-CE1 3.88Å; F694-F758 HydrophobicContact CZ-CE1 3.88Å; F694-F758 HydrophobicContact CZ-CE2 4.31Å; F694-F758 AromaticContact CZ-CZ 3.85Å; F694-F758 HydrophobicContact CZ-CZ 3.85Å; F694-P791 HydrophobicContact CE2-CB 3.8Å; F694-P791 HydrophobicContact CE2-CG 3.95Å; F694-P791 HydrophobicContact CZ-CB 3.93Å; F694-P791 HydrophobicContact CZ-CG 4.45Å; F694-K871 HydrophobicContact CE1-CB 4.11Å; F694-K871 HydrophobicContact CE1-CD 4.03Å; F694-K871 HydrophobicContact CE1-CG 3.86Å; F694-K871 HydrophobicContact CE2-CG 4.04Å; F694-K871 HydrophobicContact CZ-CB 4.22Å; F694-K871 HydrophobicContact CZ-CD 3.81Å; F694-K871 HydrophobicContact CZ-CG 3.52Å; F694-L874 HydrophobicContact CB-CD1 3.65Å; F694-L874 HydrophobicContact CD2-CD1 3.64Å; F694-L874 HydrophobicContact CG-CD1 3.78Å; F694-R875 PolarHBondContact O-NH1 3.19Å; F694-R875 PolarHBondContact O-NH2 3.26Å
695	S	97.2	Very high	97.8	Very high	42 Å²	42	33.7 Å²	33.7	29%	0.294	17%	0.165	S	C	.	.	S	Bend	trans	52.6	48.9	-176.4	-166.4	0	0	0	0	112.6	G692 T693 H698 R875	G692-S695 WeakPolarHBondContact O-CA 2.99Å; G692-S695 PolarHBondContact O-N 3.03Å; T693-S695 VanDerWaalsContact C-N 3.25Å; T693-S695 PolarHBondContact O-N 2.65Å; S695-H698 PolarHBondContact O-NE2 3.44Å; S695-H698 VanDerWaalsContact O-NE2 3.14Å; S695-H698 PolarHBondContact OG-CE1 3.39Å; S695-H698 PolarHBondContact OG-NE2 3.03Å; S695-R875 PolarHBondContact O-NH2 2.72Å
696	H	97.2	Very high	97.7	Very high	20 Å²	20	37 Å²	37	9%	0.093	19%	0.185	C	C	.	.			trans	-112.8	-29.7	-178.5	67.9	-77.2	0	0	0	112.1	R653 A665 F694 L874	R653-H696 PolarHBondContact NH2-O 2.76Å; A665-H696 VanDerWaalsContact CB-O 3.22Å; A665-H696 WeakPolarHBondContact CB-O 3.21Å; F694-H696 VanDerWaalsContact C-N 3.34Å; F694-H696 PolarHBondContact O-N 2.86Å; H696-L874 HydrophobicContact CB-CB 4.5Å; H696-L874 HydrophobicContact CB-CD1 4.21Å
697	R	97.7	Very high	97.5	Very high	1 Å²	1	43.5 Å²	43.5	0%	0.004	22%	0.219	C	C	.	.			trans	-88	-55.8	-166.8	-172.6	173.4	-63.1	110.8	-2.1	113.7	R653 E668 V689 R691 H699 E755	R653-R697 PolarHBondContact NH2-O 3.47Å; E668-R697 VanDerWaalsContact OE1-CD 3.26Å; E668-R697 WeakPolarHBondContact OE1-CD 3.04Å; E668-R697 IonicContact OE1-CZ 3.75Å; E668-R697 IonicContact OE1-NE 3.47Å; E668-R697 PolarHBondContact OE1-NE 3.21Å; E668-R697 IonicContact OE1-NH2 2.77Å; E668-R697 IonicContact OE2-CZ 3.67Å; E668-R697 IonicContact OE2-NE 3.72Å; E668-R697 PolarHBondContact OE2-NE 2.95Å; E668-R697 IonicContact OE2-NH2 3.74Å; E668-R697 PolarHBondContact OE2-NH2 3.42Å; V689-R697 VanDerWaalsContact O-CD 3.31Å; V689-R697 WeakPolarHBondContact O-CD 3.48Å; V689-R697 PolarHBondContact O-NH1 3.05Å; R691-R697 PolarHBondContact O-N 3.2Å; R691-R697 VanDerWaalsContact O-N 3.11Å; R697-H699 VanDerWaalsContact C-N 3.29Å; R697-H699 HydrophobicContact CG-CB 4.27Å; R697-H699 WeakPolarHBondContact CG-CD2 3.44Å; R697-H699 VanDerWaalsContact CG-CE1 3.46Å; R697-H699 WeakPolarHBondContact CG-CE1 3.49Å; R697-H699 VanDerWaalsContact CG-CG 3.47Å; R697-H699 VanDerWaalsContact CG-NE2 3.27Å; R697-H699 WeakPolarHBondContact CG-NE2 3.47Å; R697-H699 PolarHBondContact O-CD2 3.36Å; R697-H699 VanDerWaalsContact O-CD2 3.26Å; R697-H699 PolarHBondContact O-N 2.93Å; R697-E755 IonicContact CZ-OE1 2.72Å; R697-E755 IonicContact CZ-OE2 3.89Å; R697-E755 IonicContact NH1-OE1 3.12Å; R697-E755 IonicContact NH1-OE2 2.76Å; R697-E755 PolarHBondContact NH1-OE2 3.08Å; R697-E755 IonicContact NH2-OE1 3.63Å; R697-E755 PolarHBondContact NH2-OE1 3Å; R697-E755 IonicContact NH2-OE2 3.57Å; R697-E755 PolarHBondContact NH2-OE2 3.26Å
698	H	97.7	Very high	97.2	Very high	21 Å²	21	51.3 Å²	51.3	10%	0.097	25%	0.253	C	S	.	.			trans	46.1	48.7	178.2	-57.4	-75.8	0	0	0	113.8	L646 I649 E690 R691 S695 V700 L701	L646-H698 HydrophobicContact CD1-CB 3.84Å; I649-H698 WeakPolarHBondContact CD1-NE2 3.35Å; E690-H698 CarbonylContact O-C 3.32Å; R691-H698 PolarHBondContact O-N 3.04Å; S695-H698 PolarHBondContact O-NE2 3.44Å; S695-H698 VanDerWaalsContact O-NE2 3.14Å; S695-H698 PolarHBondContact OG-CE1 3.39Å; S695-H698 PolarHBondContact OG-NE2 3.03Å; H698-V700 VanDerWaalsContact C-N 3.3Å; H698-L701 HydrophobicContact CB-CD2 4.48Å; H698-L701 WeakPolarHBondContact O-CD2 3.3Å
699	H	98	Very high	97.1	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	25%	0.254	C	S	.	.			trans	-77	-21.8	176.4	-73.6	-176.6	0	0	0	112	E668 Y669 F672 E690 R697 I712 P713 Y724	E668-H699 IonicContact OE1-CE1 2.81Å; E668-H699 PolarHBondContact OE1-CE1 2.9Å; E668-H699 IonicContact OE1-NE2 3.62Å; Y669-H699 AromaticContact CD2-CD2 3.48Å; Y669-H699 VanDerWaalsContact CD2-CD2 3.48Å; Y669-H699 WeakPolarHBondContact CD2-CD2 3.43Å; Y669-H699 AromaticContact CD2-NE2 3.22Å; Y669-H699 WeakPolarHBondContact CD2-NE2 3.33Å; Y669-H699 AromaticContact CE2-CD2 3.61Å; Y669-H699 AromaticContact CE2-NE2 3.84Å; F672-H699 AromaticContact CD2-CE1 3.99Å; E690-H699 PolarHBondContact O-N 2.84Å; R697-H699 VanDerWaalsContact C-N 3.29Å; R697-H699 HydrophobicContact CG-CB 4.27Å; R697-H699 WeakPolarHBondContact CG-CD2 3.44Å; R697-H699 VanDerWaalsContact CG-CE1 3.46Å; R697-H699 WeakPolarHBondContact CG-CE1 3.49Å; R697-H699 VanDerWaalsContact CG-CG 3.47Å; R697-H699 VanDerWaalsContact CG-NE2 3.27Å; R697-H699 WeakPolarHBondContact CG-NE2 3.47Å; R697-H699 PolarHBondContact O-CD2 3.36Å; R697-H699 VanDerWaalsContact O-CD2 3.26Å; R697-H699 PolarHBondContact O-N 2.93Å; H699-I712 WeakPolarHBondContact O-CA 3.31Å; H699-P713 WeakPolarHBondContact O-CD 3.49Å; H699-Y724 HydrophobicContact CB-CE1 4.06Å; H699-Y724 AromaticContact ND1-CE1 3.89Å; H699-Y724 AromaticContact ND1-CZ 3.56Å; H699-Y724 PolarHBondContact ND1-OH 3.01Å
700	V	98	Very high	97	Very high	9 Å²	9	56 Å²	56	6%	0.055	27%	0.274	C	S	.	.	S	Bend	trans	-109.6	125.1	169.7	-171.3	0	0	0	0	109	E690 H698 T710 I712 V726	E690-V700 HydrophobicContact CB-CB 3.94Å; E690-V700 HydrophobicContact CB-CG2 3.56Å; E690-V700 HydrophobicContact CG-CB 4.31Å; E690-V700 HydrophobicContact CG-CG2 3.48Å; E690-V700 VanDerWaalsContact CG-CG2 3.48Å; E690-V700 PolarHBondContact O-N 3.26Å; H698-V700 VanDerWaalsContact C-N 3.3Å; V700-T710 HydrophobicContact CG1-CG2 3.91Å; V700-I712 HydrophobicContact CG2-CD1 4.4Å; V700-I712 HydrophobicContact CG2-CG1 4.14Å; V700-V726 HydrophobicContact CG2-CG1 3.56Å
701	L	97.9	Very high	97	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.005	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	141.8	172.9	-46.9	-168.9	0	0	0	108.3	V635 F640 I642 L646 H698 T710 C711 P713	V635-L701 HydrophobicContact CG1-CD1 4.48Å; V635-L701 HydrophobicContact CG2-CD1 3.88Å; F640-L701 HydrophobicContact CE1-CB 3.88Å; F640-L701 HydrophobicContact CZ-CB 4.16Å; F640-L701 WeakPolarHBondContact CZ-O 3.35Å; I642-L701 HydrophobicContact CG2-CB 4.39Å; I642-L701 HydrophobicContact CG2-CD1 4.25Å; L646-L701 HydrophobicContact CD1-CD2 4.41Å; L646-L701 HydrophobicContact CD2-CB 4.47Å; L646-L701 HydrophobicContact CD2-CD2 3.68Å; L646-L701 HydrophobicContact CD2-CG 4.45Å; H698-L701 HydrophobicContact CB-CD2 4.48Å; H698-L701 WeakPolarHBondContact O-CD2 3.3Å; L701-T710 CarbonylContact O-C 3.52Å; L701-T710 WeakPolarHBondContact O-CA 3.38Å; L701-T710 WeakPolarHBondContact O-CB 3.24Å; L701-C711 HydrophobicContact CB-CB 4.45Å; L701-C711 PolarHBondContact N-O 3.36Å; L701-C711 PolarHBondContact O-N 2.85Å; L701-P713 HydrophobicContact CD1-CG 3.65Å; L701-P713 HydrophobicContact CG-CG 3.82Å
702	H	97.3	Very high	97	Very high	96 Å²	96	51 Å²	51	44%	0.444	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	131.9	179	-62.7	-100.1	0	0	0	110
703	D	97.8	Very high	96.9	Very high	13 Å²	13	51.2 Å²	51.2	7%	0.07	26%	0.259	C	S	.	.			trans	-69	130.9	174.6	-160.4	-42.1	0	0	0	109.2	F640 T641 N705 V706 R709	F640-D703 HydrophobicContact CD2-CB 4.23Å; F640-D703 HydrophobicContact CE1-CB 4.26Å; F640-D703 HydrophobicContact CE2-CB 3.92Å; F640-D703 HydrophobicContact CZ-CB 3.93Å; T641-D703 CarbonylContact O-C 3.21Å; T641-D703 WeakPolarHBondContact O-CA 3.25Å; D703-N705 VanDerWaalsContact C-N 3.29Å; D703-N705 PolarHBondContact OD1-N 2.69Å; D703-V706 HydrophobicContact CB-CB 4.26Å; D703-R709 HydrophobicContact CB-CB 3.9Å; D703-R709 HydrophobicContact CB-CG 4.18Å; D703-R709 PolarHBondContact N-O 2.82Å; D703-R709 WeakPolarHBondContact OD2-CD 3.44Å; D703-R709 IonicContact OD2-CZ 3.03Å; D703-R709 IonicContact OD2-NE 3.6Å; D703-R709 IonicContact OD2-NH1 3.14Å; D703-R709 PolarHBondContact OD2-NH1 3.04Å
704	Q	97.4	Very high	96.9	Very high	100 Å²	100	50.2 Å²	50.2	47%	0.467	25%	0.252	S	S	.	.	S	Bend	trans	-77.1	-17.9	178.5	-62.2	-60.6	-84.9	0	0	112.8	T641 H643	T641-Q704 HydrophobicContact CG2-CB 4.18Å; T641-Q704 WeakPolarHBondContact O-CG 3.41Å; T641-Q704 PolarHBondContact O-N 3.08Å; H643-Q704 HydrophobicContact CB-CG 4.31Å
705	N	96.8	Very high	96.9	Very high	123 Å²	123	51.2 Å²	51.2	66%	0.658	26%	0.26	S	S	*	.	S	Bend	trans	-109.9	-12.2	-173.7	-64.5	-24.1	0	0	0	113.2	T641 D703	T641-N705 WeakPolarHBondContact CB-ND2 3.38Å; T641-N705 PolarHBondContact OG1-ND2 3.14Å; D703-N705 VanDerWaalsContact C-N 3.29Å; D703-N705 PolarHBondContact OD1-N 2.69Å
706	V	96.2	Very high	96.9	Very high	69 Å²	69	53.6 Å²	53.6	42%	0.418	27%	0.266	S	S	.	.	S	Bend	trans	-132.6	116.7	-176.5	-172.4	0	0	0	0	110.2	D703 R709	D703-V706 HydrophobicContact CB-CB 4.26Å; V706-R709 HydrophobicContact CB-CB 3.83Å; V706-R709 HydrophobicContact CG1-CB 3.79Å; V706-R709 PolarHBondContact O-N 2.87Å
707	D	93.8	Very high	96.9	Very high	137 Å²	137	52.9 Å²	52.9	73%	0.733	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	142.3	179.7	-174	38.4	0	0	0	112	R709	D707-R709 PolarHBondContact O-N 2.73Å
708	K	92.4	Very high	96.8	Very high	178 Å²	178	55.8 Å²	55.8	77%	0.774	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	6.2	-178.5	-60.4	174.6	-172.6	179.8	0	116.1	T710	K708-T710 PolarHBondContact O-N 3.14Å
709	R	96.3	Very high	96.7	Very high	87 Å²	87	60.9 Å²	60.9	33%	0.328	31%	0.309	S	S	.	.			trans	-79.8	108.6	174.4	-172.4	179.5	179.4	-153.6	3.2	109.1	E638 N639 F640 D703 V706 D707	E638-R709 PolarHBondContact O-NH2 2.79Å; N639-R709 PolarHBondContact O-NH1 2.9Å; F640-R709 HydrophobicContact CD2-CG 4.35Å; F640-R709 HydrophobicContact CE2-CG 4.03Å; D703-R709 HydrophobicContact CB-CB 3.9Å; D703-R709 HydrophobicContact CB-CG 4.18Å; D703-R709 PolarHBondContact N-O 2.82Å; D703-R709 WeakPolarHBondContact OD2-CD 3.44Å; D703-R709 IonicContact OD2-CZ 3.03Å; D703-R709 IonicContact OD2-NE 3.6Å; D703-R709 IonicContact OD2-NH1 3.14Å; D703-R709 PolarHBondContact OD2-NH1 3.04Å; V706-R709 HydrophobicContact CB-CB 3.83Å; V706-R709 HydrophobicContact CG1-CB 3.79Å; V706-R709 PolarHBondContact O-N 2.87Å; D707-R709 PolarHBondContact O-N 2.73Å
710	T	96.5	Very high	96.5	Very high	71 Å²	71	68.7 Å²	68.7	44%	0.436	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	157.6	176.7	61.2	0	0	0	0	111.6	V700 L701 K708	V700-T710 HydrophobicContact CG1-CG2 3.91Å; L701-T710 CarbonylContact O-C 3.52Å; L701-T710 WeakPolarHBondContact O-CA 3.38Å; L701-T710 WeakPolarHBondContact O-CB 3.24Å; K708-T710 PolarHBondContact O-N 3.14Å
711	C	97	Very high	96.4	Very high	5 Å²	5	69.6 Å²	69.6	3%	0.034	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	135.2	169.2	173.9	0	0	0	0	108.2	V637 F640 L701 P713	V637-C711 HydrophobicContact CG2-CB 3.77Å; F640-C711 HydrophobicContact CD2-CB 4.22Å; F640-C711 HydrophobicContact CE2-CB 3.72Å; F640-C711 HydrophobicContact CZ-CB 3.89Å; L701-C711 HydrophobicContact CB-CB 4.45Å; L701-C711 PolarHBondContact N-O 3.36Å; L701-C711 PolarHBondContact O-N 2.85Å; C711-P713 WeakPolarHBondContact O-CD 3.45Å
712	I	97.6	Very high	96.3	Very high	37 Å²	37	70.1 Å²	70.1	19%	0.19	36%	0.358	C	S	.	.			trans	-110.4	92.6	172.6	-53.7	-177.8	0	0	0	106.5	H699 V700 M714 N715 H716 Y724 V726	H699-I712 WeakPolarHBondContact O-CA 3.31Å; V700-I712 HydrophobicContact CG2-CD1 4.4Å; V700-I712 HydrophobicContact CG2-CG1 4.14Å; I712-M714 HydrophobicContact CG2-CB 4.33Å; I712-M714 PolarHBondContact O-N 3.39Å; I712-N715 PolarHBondContact O-N 3Å; I712-H716 PolarHBondContact O-CD2 2.85Å; I712-H716 VanDerWaalsContact O-CD2 3.28Å; I712-Y724 HydrophobicContact CG2-CD1 3.73Å; I712-Y724 HydrophobicContact CG2-CE1 4.1Å; I712-V726 HydrophobicContact CD1-CG1 4.11Å; I712-V726 HydrophobicContact CG2-CG1 4.43Å
713	P	97.4	Very high	96.2	Very high	5 Å²	5	68.6 Å²	68.6	3%	0.032	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-56.7	-26.8	-173.3	-25.9	34.9	0	0	0	113.3	V631 P636 Y669 H699 L701 C711 N715 H716	V631-P713 HydrophobicContact CG1-CB 4.39Å; V631-P713 WeakPolarHBondContact CG1-O 3.32Å; P636-P713 HydrophobicContact CG-CB 3.92Å; P636-P713 HydrophobicContact CG-CG 4.48Å; Y669-P713 VanDerWaalsContact OH-C 3.3Å; Y669-P713 WeakPolarHBondContact OH-CB 3.26Å; H699-P713 WeakPolarHBondContact O-CD 3.49Å; L701-P713 HydrophobicContact CD1-CG 3.65Å; L701-P713 HydrophobicContact CG-CG 3.82Å; C711-P713 WeakPolarHBondContact O-CD 3.45Å; P713-N715 PolarHBondContact O-N 3.06Å; P713-H716 PolarHBondContact O-N 3.32Å
714	M	97.3	Very high	96.2	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-65.6	-22.1	178.9	-163.2	175.7	-75.5	0	0	113	Y669 F672 L676 I712 H716 L717 Q721 Y724	Y669-M714 HydrophobicContact CD1-CE 3.43Å; Y669-M714 VanDerWaalsContact CD1-CE 3.43Å; Y669-M714 HydrophobicContact CD2-CE 3.47Å; Y669-M714 VanDerWaalsContact CD2-CE 3.47Å; Y669-M714 HydrophobicContact CE1-CB 4.08Å; Y669-M714 HydrophobicContact CE1-CE 3.53Å; Y669-M714 HydrophobicContact CE1-CG 3.97Å; Y669-M714 HydrophobicContact CE2-CB 4.46Å; Y669-M714 HydrophobicContact CE2-CE 3.57Å; Y669-M714 HydrophobicContact CG-CE 3.4Å; Y669-M714 VanDerWaalsContact CG-CE 3.4Å; Y669-M714 VanDerWaalsContact OH-CA 3.22Å; Y669-M714 WeakPolarHBondContact OH-CA 3.27Å; Y669-M714 WeakPolarHBondContact OH-CB 3.47Å; Y669-M714 PolarHBondContact OH-N 3.42Å; F672-M714 HydrophobicContact CB-CE 3.98Å; F672-M714 HydrophobicContact CB-SD 3.72Å; F672-M714 HydrophobicContact CD2-CE 4.17Å; F672-M714 HydrophobicContact CD2-SD 4.31Å; L676-M714 HydrophobicContact CD1-CG 3.58Å; L676-M714 HydrophobicContact CD1-SD 3.91Å; I712-M714 HydrophobicContact CG2-CB 4.33Å; I712-M714 PolarHBondContact O-N 3.39Å; M714-H716 PolarHBondContact O-N 3.17Å; M714-L717 HydrophobicContact CG-CD1 3.93Å; M714-L717 WeakPolarHBondContact O-CD1 3.42Å; M714-L717 WeakPolarHBondContact O-CG 3.27Å; M714-Q721 PolarHBondContact O-NE2 3.11Å; M714-Q721 PolarHBondContact O-OE1 3.16Å; M714-Y724 HydrophobicContact CB-CD1 3.77Å; M714-Y724 HydrophobicContact CB-CE1 4.27Å; M714-Y724 HydrophobicContact CB-CG 4.41Å; M714-Y724 HydrophobicContact CG-CD1 4.01Å; M714-Y724 HydrophobicContact CG-CG 4.19Å; M714-Y724 HydrophobicContact SD-CD1 3.58Å; M714-Y724 VanDerWaalsContact SD-CD1 3.58Å; M714-Y724 HydrophobicContact SD-CD2 3.82Å; M714-Y724 HydrophobicContact SD-CE1 3.73Å; M714-Y724 HydrophobicContact SD-CE2 3.94Å; M714-Y724 HydrophobicContact SD-CG 3.62Å
715	N	97.3	Very high	96.2	Very high	61 Å²	61	65 Å²	65	33%	0.326	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-82.9	5.6	173	-76.6	-32.6	0	0	0	113.3	I712 P713 Y724	I712-N715 PolarHBondContact O-N 3Å; P713-N715 PolarHBondContact O-N 3.06Å; N715-Y724 PolarHBondContact ND2-O 2.99Å; N715-Y724 WeakPolarHBondContact OD1-CB 3.39Å; N715-Y724 PolarHBondContact OD1-N 2.83Å; N715-Y724 PolarHBondContact OD1-O 2.63Å
716	H	97	Very high	96.3	Very high	91 Å²	91	59.7 Å²	59.7	42%	0.421	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-122	22.9	179.2	-57.3	-88.2	0	0	0	112.5	P636 I712 P713 M714	P636-H716 HydrophobicContact CB-CB 3.9Å; P636-H716 HydrophobicContact CG-CB 3.81Å; I712-H716 PolarHBondContact O-CD2 2.85Å; I712-H716 VanDerWaalsContact O-CD2 3.28Å; P713-H716 PolarHBondContact O-N 3.32Å; M714-H716 PolarHBondContact O-N 3.17Å
717	L	97.4	Very high	96.2	Very high	6 Å²	6	56.4 Å²	56.4	3%	0.031	29%	0.294	C	S	.	.	S	Bend	trans	-72.6	-47.3	178.6	-65.2	167.7	0	0	0	111.6	H627 I628 V631 Y669 G673 L676 M714 Q721	H627-L717 PolarHBondContact NE2-O 3.24Å; I628-L717 HydrophobicContact CB-CD2 4.26Å; I628-L717 HydrophobicContact CG1-CD2 4.17Å; I628-L717 HydrophobicContact CG2-CD2 4.08Å; V631-L717 HydrophobicContact CB-CD2 3.66Å; V631-L717 HydrophobicContact CG1-CD2 3.74Å; V631-L717 HydrophobicContact CG1-CG 4.47Å; V631-L717 HydrophobicContact CG2-CD2 4.04Å; Y669-L717 HydrophobicContact CE1-CD2 4.44Å; G673-L717 VanDerWaalsContact CA-CD1 3.41Å; L676-L717 HydrophobicContact CD1-CD1 4.23Å; M714-L717 HydrophobicContact CG-CD1 3.93Å; M714-L717 WeakPolarHBondContact O-CD1 3.42Å; M714-L717 WeakPolarHBondContact O-CG 3.27Å; L717-Q721 VanDerWaalsContact CB-OE1 3.3Å
718	W	96.9	Very high	96.4	Very high	61 Å²	61	52.9 Å²	52.9	23%	0.231	28%	0.275	C	S	.	.			trans	-147.3	152.4	177.5	-66.5	-82.2	0	0	0	111.5	V624 H627 I628 K677 N720 Q721	V624-W718 HydrophobicContact CG1-CH2 4.17Å; H627-W718 HydrophobicContact CB-CZ2 4.49Å; H627-W718 AromaticContact CD2-CE2 3.47Å; H627-W718 VanDerWaalsContact CD2-CE2 3.47Å; H627-W718 AromaticContact CD2-CH2 3.64Å; H627-W718 AromaticContact CD2-CZ2 3.11Å; H627-W718 WeakPolarHBondContact CD2-CZ2 3.34Å; H627-W718 AromaticContact CD2-NE1 3.88Å; H627-W718 AromaticContact CG-CZ2 3.99Å; H627-W718 AromaticContact NE2-CE2 3.56Å; H627-W718 AromaticContact NE2-CZ2 3.73Å; H627-W718 AromaticContact NE2-NE1 3.66Å; I628-W718 HydrophobicContact CD1-CH2 3.94Å; I628-W718 HydrophobicContact CD1-CZ3 4.4Å; I628-W718 HydrophobicContact CG1-CH2 3.52Å; I628-W718 HydrophobicContact CG1-CZ3 4.02Å; K677-W718 HydrophobicContact CB-CD2 4.48Å; K677-W718 HydrophobicContact CB-CE3 3.81Å; K677-W718 HydrophobicContact CB-CH2 4.11Å; K677-W718 HydrophobicContact CB-CZ3 3.63Å; K677-W718 HydrophobicContact CD-CD2 4.42Å; K677-W718 HydrophobicContact CD-CE3 4.42Å; K677-W718 HydrophobicContact CD-CH2 3.76Å; K677-W718 HydrophobicContact CD-CZ2 3.73Å; K677-W718 HydrophobicContact CD-CZ3 4.13Å; K677-W718 HydrophobicContact CG-CD2 4.15Å; K677-W718 HydrophobicContact CG-CE3 3.98Å; K677-W718 HydrophobicContact CG-CH2 4.19Å; K677-W718 HydrophobicContact CG-CZ2 4.32Å; K677-W718 HydrophobicContact CG-CZ3 4.03Å; W718-N720 VanDerWaalsContact C-N 3.3Å; W718-N720 PolarHBondContact O-N 3.48Å; W718-Q721 HydrophobicContact CB-CB 4.35Å; W718-Q721 VanDerWaalsContact O-CG 3.28Å; W718-Q721 WeakPolarHBondContact O-CG 3.35Å; W718-Q721 PolarHBondContact O-N 2.66Å; W718-Q721 PolarHBondContact O-OE1 3.17Å
719	P	93.9	Very high	96.7	Very high	128 Å²	128	45.3 Å²	45.3	83%	0.831	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-32.7	179.5	-26.1	35.2	0	0	0	115.3
720	N	93.7	Very high	96.6	Very high	164 Å²	164	41.9 Å²	41.9	88%	0.877	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.4	19.9	-175.1	-62.4	-24.7	0	0	0	112.9	W718	W718-N720 VanDerWaalsContact C-N 3.3Å; W718-N720 PolarHBondContact O-N 3.48Å
721	Q	96.4	Very high	96.7	Very high	29 Å²	29	45.5 Å²	45.5	14%	0.136	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-67	156.5	177.6	68.3	177.3	92.4	0	0	111.6	L676 M714 L717 W718	L676-Q721 HydrophobicContact CB-CB 4.32Å; M714-Q721 PolarHBondContact O-NE2 3.11Å; M714-Q721 PolarHBondContact O-OE1 3.16Å; L717-Q721 VanDerWaalsContact CB-OE1 3.3Å; W718-Q721 HydrophobicContact CB-CB 4.35Å; W718-Q721 VanDerWaalsContact O-CG 3.28Å; W718-Q721 WeakPolarHBondContact O-CG 3.35Å; W718-Q721 PolarHBondContact O-N 2.66Å; W718-Q721 PolarHBondContact O-OE1 3.17Å
722	A	96.6	Very high	96.7	Very high	11 Å²	11	45.6 Å²	45.6	9%	0.091	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-64.3	153.9	164.1	0	0	0	0	0	111.1	L676 I680	L676-A722 HydrophobicContact CD2-CB 4.35Å; L676-A722 WeakPolarHBondContact CD2-O 3.42Å; L676-A722 PolarHBondContact O-N 3.15Å; I680-A722 WeakPolarHBondContact O-CB 3.37Å
723	P	94.4	Very high	96.8	Very high	65 Å²	65	45.1 Å²	45.1	42%	0.422	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-64.2	143.5	175.9	25.8	-35.4	0	0	0	111.7	F404 L676 H681	F404-P723 HydrophobicContact CE1-CG 4.16Å; F404-P723 HydrophobicContact CE2-CG 4.41Å; F404-P723 HydrophobicContact CZ-CB 4.14Å; F404-P723 HydrophobicContact CZ-CG 3.47Å; F404-P723 VanDerWaalsContact CZ-CG 3.47Å; L676-P723 WeakPolarHBondContact CD2-O 3.31Å; H681-P723 PolarHBondContact CD2-O 2.79Å
724	Y	98.1	Very high	96.8	Very high	5 Å²	5	46.4 Å²	46.4	2%	0.02	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	121.8	164	173	-120.4	0	0	0	109.9	F672 L676 V682 L684 H699 I712 M714 N715 V726	F672-Y724 HydrophobicContact CD2-CE2 4.07Å; L676-Y724 HydrophobicContact CD1-CG 4.4Å; V682-Y724 HydrophobicContact CB-CD2 3.88Å; V682-Y724 HydrophobicContact CB-CE2 4.4Å; V682-Y724 HydrophobicContact CG1-CD2 3.91Å; V682-Y724 HydrophobicContact CG1-CE2 3.91Å; V682-Y724 WeakPolarHBondContact O-CD2 3.36Å; L684-Y724 HydrophobicContact CB-CE2 4.39Å; H699-Y724 HydrophobicContact CB-CE1 4.06Å; H699-Y724 AromaticContact ND1-CE1 3.89Å; H699-Y724 AromaticContact ND1-CZ 3.56Å; H699-Y724 PolarHBondContact ND1-OH 3.01Å; I712-Y724 HydrophobicContact CG2-CD1 3.73Å; I712-Y724 HydrophobicContact CG2-CE1 4.1Å; M714-Y724 HydrophobicContact CB-CD1 3.77Å; M714-Y724 HydrophobicContact CB-CE1 4.27Å; M714-Y724 HydrophobicContact CB-CG 4.41Å; M714-Y724 HydrophobicContact CG-CD1 4.01Å; M714-Y724 HydrophobicContact CG-CG 4.19Å; M714-Y724 HydrophobicContact SD-CD1 3.58Å; M714-Y724 VanDerWaalsContact SD-CD1 3.58Å; M714-Y724 HydrophobicContact SD-CD2 3.82Å; M714-Y724 HydrophobicContact SD-CE1 3.73Å; M714-Y724 HydrophobicContact SD-CE2 3.94Å; M714-Y724 HydrophobicContact SD-CG 3.62Å; N715-Y724 PolarHBondContact ND2-O 2.99Å; N715-Y724 WeakPolarHBondContact OD1-CB 3.39Å; N715-Y724 PolarHBondContact OD1-N 2.83Å; N715-Y724 PolarHBondContact OD1-O 2.63Å; Y724-V726 HydrophobicContact CD1-CB 4.48Å; Y724-V726 HydrophobicContact CD1-CG1 4.26Å; Y724-V726 HydrophobicContact CE1-CB 3.63Å; Y724-V726 HydrophobicContact CE1-CG1 3.56Å; Y724-V726 HydrophobicContact CE2-CB 4.39Å; Y724-V726 WeakPolarHBondContact OH-CB 3.21Å; Y724-V726 WeakPolarHBondContact OH-CG2 3.35Å
725	T	97.5	Very high	96.9	Very high	31 Å²	31	46.4 Å²	46.4	19%	0.19	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	111.4	177.2	-54.4	0	0	0	0	108.9	H681 V682 R683 L684	H681-T725 PolarHBondContact NE2-OG1 3.17Å; V682-T725 PolarHBondContact O-N 2.93Å; R683-T725 CarbonylContact C-O 3.51Å; R683-T725 VanDerWaalsContact CA-O 3.24Å; R683-T725 WeakPolarHBondContact CA-O 3.45Å; R683-T725 HydrophobicContact CG-CG2 4.31Å; L684-T725 PolarHBondContact N-O 2.89Å
726	V	97.9	Very high	96.9	Very high	12 Å²	12	43.5 Å²	43.5	7%	0.073	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	130.6	169	59.6	0	0	0	0	108.8	L684 V689 E690 V700 I712 Y724	L684-V726 HydrophobicContact CB-CG2 4.32Å; L684-V726 HydrophobicContact CD2-CG2 4.17Å; L684-V726 HydrophobicContact CG-CG2 4.35Å; L684-V726 WeakPolarHBondContact O-CA 3.45Å; V689-V726 HydrophobicContact CG2-CG2 4.01Å; E690-V726 HydrophobicContact CB-CG2 4.47Å; E690-V726 HydrophobicContact CG-CG1 4.34Å; E690-V726 HydrophobicContact CG-CG2 3.86Å; V700-V726 HydrophobicContact CG2-CG1 3.56Å; I712-V726 HydrophobicContact CD1-CG1 4.11Å; I712-V726 HydrophobicContact CG2-CG1 4.43Å; Y724-V726 HydrophobicContact CD1-CB 4.48Å; Y724-V726 HydrophobicContact CD1-CG1 4.26Å; Y724-V726 HydrophobicContact CE1-CB 3.63Å; Y724-V726 HydrophobicContact CE1-CG1 3.56Å; Y724-V726 HydrophobicContact CE2-CB 4.39Å; Y724-V726 WeakPolarHBondContact OH-CB 3.21Å; Y724-V726 WeakPolarHBondContact OH-CG2 3.35Å
727	C	95.3	Very high	97	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.007	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	125.1	-176.8	53.9	0	0	0	0	112	S442 L684 V689 S729	S442-C727 WeakPolarHBondContact OG-CB 3.42Å; L684-C727 PolarHBondContact O-N 2.85Å; V689-C727 VanDerWaalsContact CG2-O 3.28Å; V689-C727 WeakPolarHBondContact CG2-O 3.25Å; C727-S729 PolarHBondContact O-N 2.84Å
728	N	97.7	Very high	97.1	Very high	62 Å²	62	38.9 Å²	38.9	33%	0.332	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	125.2	164.3	-65.8	-32.8	0	0	0	109.3	G686 D688 V689 E690	G686-N728 CarbonylContact O-C 3.51Å; G686-N728 WeakPolarHBondContact O-CA 3.49Å; D688-N728 WeakPolarHBondContact CA-OD1 3.44Å; D688-N728 PolarHBondContact N-OD1 2.67Å; V689-N728 PolarHBondContact N-OD1 2.91Å; E690-N728 WeakPolarHBondContact CB-OD1 3.1Å; E690-N728 VanDerWaalsContact CD-CG 3.44Å; E690-N728 WeakPolarHBondContact CG-OD1 3.03Å; E690-N728 PolarHBondContact N-OD1 3.3Å; E690-N728 VanDerWaalsContact N-OD1 3.11Å; E690-N728 PolarHBondContact OE1-N 3.09Å; E690-N728 PolarHBondContact OE1-ND2 2.86Å; E690-N728 PolarHBondContact OE2-ND2 2.86Å; E690-N728 VanDerWaalsContact OE2-ND2 3.11Å
729	S	97.8	Very high	97.2	Very high	19 Å²	19	36 Å²	36	13%	0.133	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-78.3	165.8	174.8	74.5	0	0	0	0	112.1	Y443 G686 Q687 C727	Y443-S729 WeakPolarHBondContact OH-CA 3.44Å; Y443-S729 WeakPolarHBondContact OH-CB 3.44Å; G686-S729 PolarHBondContact O-N 2.85Å; G686-S729 PolarHBondContact O-OG 2.73Å; Q687-S729 WeakPolarHBondContact CG-OG 3.06Å; Q687-S729 PolarHBondContact N-OG 3.04Å; C727-S729 PolarHBondContact O-N 2.84Å
730	S	95.1	Very high	97.4	Very high	15 Å²	15	29.9 Å²	29.9	11%	0.105	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-62.8	168.4	158.1	59.5	0	0	0	0	110.2	L437 S732	L437-S730 WeakPolarHBondContact CD2-OG 3.36Å; S730-S732 PolarHBondContact O-N 2.78Å
731	L	97.6	Very high	97.6	Very high	148 Å²	148	22.3 Å²	22.3	78%	0.775	12%	0.124	S	C	*	.	S	Bend	trans	-78.8	63.4	177.5	-148.8	81.6	0	0	0	110.7	Q687	Q687-L731 HydrophobicContact CG-CD1 4.08Å
732	S	97.8	Very high	97.7	Very high	7 Å²	7	21 Å²	21	5%	0.049	12%	0.118	C	C	.	.			trans	-140.7	130.1	-178.2	154.7	0	0	0	0	108.8	E433 S730 G735 V736	E433-S732 WeakPolarHBondContact OE2-CB 3.21Å; E433-S732 PolarHBondContact OE2-OG 3.03Å; S730-S732 PolarHBondContact O-N 2.78Å; S732-G735 PolarHBondContact OG-N 3.42Å; S732-V736 VanDerWaalsContact O-CB 3.26Å; S732-V736 WeakPolarHBondContact O-CB 3.46Å; S732-V736 WeakPolarHBondContact O-CG2 3.23Å; S732-V736 PolarHBondContact OG-N 2.99Å
733	E	98.8	Very high	97.8	Very high	26 Å²	26	20.6 Å²	20.6	12%	0.121	11%	0.114	C	C	.	.	S	Bend	trans	-98.3	-42.1	171.1	-61.3	73.1	-154.5	0	0	111.3	Q687 L737 W754 M764 A765	Q687-E733 PolarHBondContact NE2-OE1 3.04Å; E733-L737 WeakPolarHBondContact O-CB 3.16Å; E733-L737 PolarHBondContact O-N 2.93Å; E733-W754 HydrophobicContact CB-CZ2 4.05Å; E733-W754 HydrophobicContact CG-CH2 4.45Å; E733-W754 HydrophobicContact CG-CZ2 4Å; E733-M764 HydrophobicContact CB-CB 3.77Å; E733-M764 HydrophobicContact CG-CB 4.08Å; E733-A765 HydrophobicContact CB-CB 4.14Å; E733-A765 WeakPolarHBondContact O-CB 3.3Å
734	Y	98.4	Very high	97.9	Very high	32 Å²	32	17.7 Å²	17.7	13%	0.125	10%	0.096	C	C	.	.	H	α-helix	trans	-67.2	-51.5	-173.4	-168.5	-169.2	0	0	0	111.4	A390 I430 G738 C767 I768	A390-Y734 WeakPolarHBondContact CB-OH 3.26Å; I430-Y734 HydrophobicContact CB-CD1 3.74Å; I430-Y734 HydrophobicContact CB-CE1 3.61Å; I430-Y734 HydrophobicContact CB-CG 4.4Å; I430-Y734 HydrophobicContact CD1-CD1 3.96Å; I430-Y734 HydrophobicContact CD1-CD2 3.61Å; I430-Y734 HydrophobicContact CD1-CE1 3.75Å; I430-Y734 HydrophobicContact CD1-CE2 3.37Å; I430-Y734 HydrophobicContact CD1-CG 3.9Å; I430-Y734 VanDerWaalsContact CD1-CZ 3.45Å; I430-Y734 HydrophobicContact CG1-CD1 3.81Å; I430-Y734 HydrophobicContact CG1-CD2 4.19Å; I430-Y734 HydrophobicContact CG1-CE1 3.92Å; I430-Y734 HydrophobicContact CG1-CE2 4.29Å; I430-Y734 HydrophobicContact CG1-CG 3.95Å; I430-Y734 HydrophobicContact CG2-CE1 4.28Å; Y734-G738 PolarHBondContact O-N 3.24Å; Y734-C767 HydrophobicContact CE2-CB 3.76Å; Y734-C767 WeakPolarHBondContact OH-CB 3.34Å; Y734-C767 PolarHBondContact OH-SG 3.24Å; Y734-C767 VanDerWaalsContact OH-SG 3.42Å; Y734-I768 HydrophobicContact CD2-CD1 4.09Å; Y734-I768 HydrophobicContact CD2-CG1 3.6Å; Y734-I768 HydrophobicContact CE2-CD1 3.74Å; Y734-I768 HydrophobicContact CE2-CG1 3.64Å
735	G	98.4	Very high	97.7	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-63.5	-47.2	174.5	0	0	0	0	0	113	P393 E433 S732 G738 F739	P393-G735 WeakPolarHBondContact CB-O 3.37Å; E433-G735 PolarHBondContact OE2-N 3.29Å; S732-G735 PolarHBondContact OG-N 3.42Å; G735-G738 PolarHBondContact O-N 2.93Å; G735-F739 WeakPolarHBondContact O-CB 3.39Å; G735-F739 PolarHBondContact O-N 2.93Å
736	V	98.8	Very high	97.4	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-69.5	-44.6	-175.7	177.9	0	0	0	0	112.2	L437 Y443 S732 G738 F739 E740	L437-V736 HydrophobicContact CD2-CG2 4.18Å; Y443-V736 HydrophobicContact CE1-CG1 4.2Å; S732-V736 VanDerWaalsContact O-CB 3.26Å; S732-V736 WeakPolarHBondContact O-CB 3.46Å; S732-V736 WeakPolarHBondContact O-CG2 3.23Å; S732-V736 PolarHBondContact OG-N 2.99Å; V736-G738 VanDerWaalsContact C-N 3.32Å; V736-G738 PolarHBondContact O-N 2.87Å; V736-F739 WeakPolarHBondContact O-CB 3.19Å; V736-F739 PolarHBondContact O-N 2.8Å; V736-F739 VanDerWaalsContact O-N 3.12Å; V736-E740 HydrophobicContact CG1-CG 4.39Å; V736-E740 WeakPolarHBondContact O-CG 3.3Å; V736-E740 PolarHBondContact O-N 3.41Å
737	L	98.9	Very high	97.1	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-65.3	-38.1	178.2	-178.3	59.7	0	0	0	111.3	E733 F739 E740 L741 W754 A765 I768 I769 I773 I786 L788	E733-L737 WeakPolarHBondContact O-CB 3.16Å; E733-L737 PolarHBondContact O-N 2.93Å; L737-F739 VanDerWaalsContact C-N 3.3Å; L737-F739 PolarHBondContact O-N 3.46Å; L737-E740 PolarHBondContact O-N 3.37Å; L737-L741 WeakPolarHBondContact O-CB 3.23Å; L737-L741 PolarHBondContact O-N 3.09Å; L737-W754 HydrophobicContact CB-CD2 4.34Å; L737-W754 HydrophobicContact CD1-CB 3.88Å; L737-W754 HydrophobicContact CD1-CD2 3.77Å; L737-W754 HydrophobicContact CD1-CE3 3.91Å; L737-W754 HydrophobicContact CD1-CG 3.77Å; L737-A765 HydrophobicContact CB-CB 3.96Å; L737-A765 HydrophobicContact CD2-CB 3.57Å; L737-A765 HydrophobicContact CG-CB 4.37Å; L737-I768 HydrophobicContact CD2-CB 4.31Å; L737-I768 HydrophobicContact CD2-CG2 4.23Å; L737-I768 HydrophobicContact CG-CB 4.4Å; L737-I768 HydrophobicContact CG-CG2 3.95Å; L737-I769 HydrophobicContact CD2-CD1 4.36Å; L737-I769 HydrophobicContact CD2-CG1 3.9Å; L737-I773 HydrophobicContact CD1-CD1 4.08Å; L737-I773 HydrophobicContact CD2-CD1 3.92Å; L737-I773 HydrophobicContact CG-CD1 4.1Å; L737-I786 HydrophobicContact CD1-CD1 3.76Å; L737-L788 HydrophobicContact CD1-CD1 4.19Å; L737-L788 HydrophobicContact CD1-CG 4.29Å; L737-L788 HydrophobicContact CD2-CD2 4.38Å
738	G	98.7	Very high	97	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-59.3	-41.8	171.7	0	0	0	0	0	112	V394 Y734 G735 V736 L741 G742	V394-G738 VanDerWaalsContact CA-O 3.27Å; V394-G738 WeakPolarHBondContact CA-O 3.44Å; Y734-G738 PolarHBondContact O-N 3.24Å; G735-G738 PolarHBondContact O-N 2.93Å; V736-G738 VanDerWaalsContact C-N 3.32Å; V736-G738 PolarHBondContact O-N 2.87Å; G738-L741 WeakPolarHBondContact O-CB 3.26Å; G738-L741 PolarHBondContact O-N 3.46Å; G738-G742 PolarHBondContact O-N 3.09Å; G738-G742 VanDerWaalsContact O-N 3.08Å
739	F	98.8	Very high	96.8	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-62.6	-50.3	175.9	-170.9	-78.2	0	0	0	112	P393 M396 G397 K400 L437 Y443 G735 V736 L737 L741 G742 F743	P393-F739 VanDerWaalsContact O-CA 3.29Å; P393-F739 WeakPolarHBondContact O-CA 3.34Å; M396-F739 HydrophobicContact CB-CD2 3.8Å; M396-F739 HydrophobicContact CB-CE2 3.92Å; G397-F739 WeakPolarHBondContact CA-O 3.34Å; K400-F739 HydrophobicContact CB-CE1 4.13Å; K400-F739 HydrophobicContact CB-CE2 4.27Å; K400-F739 HydrophobicContact CB-CZ 3.46Å; K400-F739 VanDerWaalsContact CB-CZ 3.46Å; K400-F739 HydrophobicContact CG-CE1 4.26Å; K400-F739 HydrophobicContact CG-CZ 3.76Å; L437-F739 HydrophobicContact CD1-CB 4.39Å; L437-F739 HydrophobicContact CD1-CD2 4.24Å; Y443-F739 AromaticContact CD1-CD1 3.84Å; Y443-F739 HydrophobicContact CD1-CD1 3.84Å; Y443-F739 HydrophobicContact CD1-CD2 4.25Å; Y443-F739 AromaticContact CD1-CE1 3.87Å; Y443-F739 HydrophobicContact CD1-CE1 3.87Å; Y443-F739 HydrophobicContact CD1-CE2 4.27Å; Y443-F739 HydrophobicContact CD1-CG 4.03Å; Y443-F739 HydrophobicContact CD1-CZ 4.07Å; Y443-F739 HydrophobicContact CE1-CD1 4.25Å; Y443-F739 VanDerWaalsContact O-CE2 3.24Å; Y443-F739 WeakPolarHBondContact O-CE2 3.34Å; Y443-F739 WeakPolarHBondContact O-CZ 3.27Å; G735-F739 WeakPolarHBondContact O-CB 3.39Å; G735-F739 PolarHBondContact O-N 2.93Å; V736-F739 WeakPolarHBondContact O-CB 3.19Å; V736-F739 PolarHBondContact O-N 2.8Å; V736-F739 VanDerWaalsContact O-N 3.12Å; L737-F739 VanDerWaalsContact C-N 3.3Å; L737-F739 PolarHBondContact O-N 3.46Å; F739-L741 VanDerWaalsContact C-N 3.29Å; F739-L741 PolarHBondContact O-N 3.15Å; F739-G742 PolarHBondContact O-N 3.11Å; F739-G742 VanDerWaalsContact O-N 3.13Å; F739-F743 HydrophobicContact CE1-CD2 4.3Å; F739-F743 PolarHBondContact O-N 2.97Å
740	E	98.8	Very high	96.7	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-65.7	-33.8	-179.4	-61.1	-50.2	147.8	0	0	112.4	R683 S685 V736 L737 F743 A744 V752 W754 I786	R683-E740 WeakPolarHBondContact CD-OE2 3.31Å; R683-E740 IonicContact CZ-OE1 2.79Å; R683-E740 IonicContact CZ-OE2 3.96Å; R683-E740 IonicContact NE-OE1 3.76Å; R683-E740 PolarHBondContact NE-OE1 3.39Å; R683-E740 IonicContact NE-OE2 3.76Å; R683-E740 PolarHBondContact NE-OE2 3.37Å; R683-E740 IonicContact NH2-OE1 3.21Å; R683-E740 PolarHBondContact NH2-OE1 2.99Å; R683-E740 IonicContact NH2-OE2 2.8Å; S685-E740 WeakPolarHBondContact CB-OE1 3.38Å; S685-E740 VanDerWaalsContact OG-CD 3.31Å; S685-E740 PolarHBondContact OG-OE1 3.08Å; V736-E740 HydrophobicContact CG1-CG 4.39Å; V736-E740 WeakPolarHBondContact O-CG 3.3Å; V736-E740 PolarHBondContact O-N 3.41Å; L737-E740 PolarHBondContact O-N 3.37Å; E740-F743 PolarHBondContact O-N 2.81Å; E740-A744 WeakPolarHBondContact O-CB 3.37Å; E740-A744 PolarHBondContact O-N 3.33Å; E740-V752 HydrophobicContact CB-CG1 4.23Å; E740-W754 HydrophobicContact CB-CB 4.37Å; E740-W754 HydrophobicContact CG-CB 4.35Å; E740-I786 HydrophobicContact CB-CD1 4.13Å
741	L	98.5	Very high	96.9	Very high	6 Å²	6	17.8 Å²	17.8	3%	0.031	10%	0.098	C	C	.	.	H	α-helix	trans	-58.1	-50.5	170.7	171.1	71.7	0	0	0	110.8	V394 L737 G738 F739 F743 A744 M745 I768 F772 I773 N784 I786	V394-L741 HydrophobicContact CG1-CD2 4.34Å; V394-L741 HydrophobicContact CG2-CD2 4Å; L737-L741 WeakPolarHBondContact O-CB 3.23Å; L737-L741 PolarHBondContact O-N 3.09Å; G738-L741 WeakPolarHBondContact O-CB 3.26Å; G738-L741 PolarHBondContact O-N 3.46Å; F739-L741 VanDerWaalsContact C-N 3.29Å; F739-L741 PolarHBondContact O-N 3.15Å; L741-F743 VanDerWaalsContact C-N 3.3Å; L741-F743 PolarHBondContact O-N 3.47Å; L741-A744 PolarHBondContact O-N 2.84Å; L741-M745 WeakPolarHBondContact O-CG 3.38Å; L741-M745 PolarHBondContact O-N 2.97Å; L741-I768 HydrophobicContact CB-CG2 4.49Å; L741-I768 HydrophobicContact CD2-CG2 3.91Å; L741-F772 HydrophobicContact CD2-CB 3.32Å; L741-F772 HydrophobicContact CD2-CD1 3.95Å; L741-F772 HydrophobicContact CD2-CG 3.76Å; L741-I773 HydrophobicContact CD1-CG1 4.1Å; L741-N784 HydrophobicContact CD1-CB 4.45Å; L741-N784 WeakPolarHBondContact CD1-ND2 3.4Å; L741-N784 PolarHBondContact O-ND2 3.22Å; L741-N784 VanDerWaalsContact O-ND2 3.11Å; L741-I786 HydrophobicContact CB-CD1 4.28Å
742	G	97.9	Very high	97	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-58.7	-41.5	176.8	0	0	0	0	0	112.7	V394 K398 G738 F739 A744 M745	V394-G742 VanDerWaalsContact O-CA 3.26Å; V394-G742 WeakPolarHBondContact O-CA 3.48Å; K398-G742 WeakPolarHBondContact CA-O 3.38Å; K398-G742 VanDerWaalsContact N-C 3.34Å; K398-G742 PolarHBondContact N-O 3.08Å; G738-G742 PolarHBondContact O-N 3.09Å; G738-G742 VanDerWaalsContact O-N 3.08Å; F739-G742 PolarHBondContact O-N 3.11Å; F739-G742 VanDerWaalsContact O-N 3.13Å; G742-A744 PolarHBondContact O-N 3.24Å; G742-M745 WeakPolarHBondContact O-CB 3.34Å; G742-M745 PolarHBondContact O-N 3.22Å
743	F	98.2	Very high	97	Very high	3 Å²	3	10.5 Å²	10.5	1%	0.013	6%	0.059	C	C	.	.	H	α-helix	trans	-62.7	-43.9	177.7	-162.1	-73	0	0	0	111.3	G397 K400 A401 F404 Y405 H681 F739 E740 L741 M745 A746 V752	G397-F743 WeakPolarHBondContact O-CA 3.43Å; K400-F743 HydrophobicContact CB-CD2 4.26Å; K400-F743 HydrophobicContact CB-CE2 4.39Å; K400-F743 HydrophobicContact CG-CD2 4.21Å; K400-F743 HydrophobicContact CG-CE2 3.97Å; A401-F743 HydrophobicContact CB-CB 4.34Å; A401-F743 HydrophobicContact CB-CD1 3.94Å; A401-F743 HydrophobicContact CB-CD2 3.7Å; A401-F743 HydrophobicContact CB-CE1 4.07Å; A401-F743 HydrophobicContact CB-CE2 3.84Å; A401-F743 HydrophobicContact CB-CG 3.74Å; A401-F743 HydrophobicContact CB-CZ 4.01Å; F404-F743 HydrophobicContact CB-CZ 4.31Å; F404-F743 HydrophobicContact CD1-CZ 4.42Å; F404-F743 HydrophobicContact CG-CZ 4.32Å; Y405-F743 HydrophobicContact CE2-CE1 4.45Å; H681-F743 AromaticContact CE1-CE1 3.67Å; H681-F743 AromaticContact CE1-CZ 3.69Å; H681-F743 AromaticContact ND1-CE1 3.95Å; F739-F743 HydrophobicContact CE1-CD2 4.3Å; F739-F743 PolarHBondContact O-N 2.97Å; E740-F743 PolarHBondContact O-N 2.81Å; L741-F743 VanDerWaalsContact C-N 3.3Å; L741-F743 PolarHBondContact O-N 3.47Å; F743-M745 PolarHBondContact O-N 3.42Å; F743-A746 PolarHBondContact O-N 2.84Å; F743-V752 HydrophobicContact CD1-CG2 3.85Å; F743-V752 HydrophobicContact CE1-CG2 4.45Å
744	A	97.5	Very high	97	Very high	4 Å²	4	9.4 Å²	9.4	3%	0.033	5%	0.054	C	C	.	.	H	α-helix	trans	-65.3	-19.8	177.2	0	0	0	0	0	113.8	E740 L741 G742 A746 V752 N784 I786	E740-A744 WeakPolarHBondContact O-CB 3.37Å; E740-A744 PolarHBondContact O-N 3.33Å; L741-A744 PolarHBondContact O-N 2.84Å; G742-A744 PolarHBondContact O-N 3.24Å; A744-A746 VanDerWaalsContact C-N 3.34Å; A744-V752 HydrophobicContact CB-CB 3.87Å; A744-V752 HydrophobicContact CB-CG1 4.16Å; A744-V752 HydrophobicContact CB-CG2 4.02Å; A744-N784 VanDerWaalsContact CB-OD1 3.31Å; A744-N784 WeakPolarHBondContact CB-OD1 3.32Å; A744-I786 HydrophobicContact CB-CB 4.14Å
745	M	93.3	Very high	97	Very high	9 Å²	9	8.2 Å²	8.2	4%	0.044	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-19.1	177.2	-67.6	169.6	70.7	0	0	113.6	V394 D597 S598 W600 L741 G742 F743 R782 N784	V394-M745 HydrophobicContact CG1-SD 3.65Å; D597-M745 WeakPolarHBondContact OD1-CE 3.49Å; S598-M745 WeakPolarHBondContact CB-O 3.29Å; S598-M745 PolarHBondContact OG-O 3.43Å; S598-M745 VanDerWaalsContact OG-O 3.04Å; W600-M745 PolarHBondContact NE1-O 3.2Å; L741-M745 WeakPolarHBondContact O-CG 3.38Å; L741-M745 PolarHBondContact O-N 2.97Å; G742-M745 WeakPolarHBondContact O-CB 3.34Å; G742-M745 PolarHBondContact O-N 3.22Å; F743-M745 PolarHBondContact O-N 3.42Å; M745-R782 HydrophobicContact CE-CG 3.99Å; M745-N784 WeakPolarHBondContact CG-ND2 3.4Å
746	A	91.6	Very high	97.1	Very high	17 Å²	17	8.4 Å²	8.4	14%	0.14	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-37.5	-171.9	0	0	0	0	0	113	A401 Y405 W600 F743 A744	A401-A746 HydrophobicContact CB-CB 3.38Å; Y405-A746 HydrophobicContact CD2-CB 4.33Å; Y405-A746 HydrophobicContact CE2-CB 4.23Å; W600-A746 PolarHBondContact NE1-O 3.49Å; F743-A746 PolarHBondContact O-N 2.84Å; A744-A746 VanDerWaalsContact C-N 3.34Å
747	S	92.1	Very high	97	Very high	21 Å²	21	10.8 Å²	10.8	15%	0.147	6%	0.062	C	C	.	.			trans	-133.9	129.9	-176.7	179.6	0	0	0	0	111.7	Y405 N749	Y405-S747 VanDerWaalsContact CE2-CB 3.49Å; S747-N749 PolarHBondContact O-N 3.12Å; S747-N749 PolarHBondContact OG-N 3.04Å; S747-N749 VanDerWaalsContact OG-N 3.13Å
748	P	92.4	Very high	97	Very high	12 Å²	12	11.5 Å²	11.5	8%	0.078	7%	0.065	C	C	.	.	S	Bend	trans	-72.7	-17.9	170.4	29.9	-30.2	0	0	0	111.7	W600 F603 A750 R862	W600-P748 HydrophobicContact CB-CG 4.11Å; W600-P748 HydrophobicContact CD2-CB 3.73Å; W600-P748 HydrophobicContact CD2-CG 3.86Å; W600-P748 HydrophobicContact CE3-CB 3.6Å; W600-P748 HydrophobicContact CE3-CG 4.1Å; W600-P748 HydrophobicContact CG-CB 4.31Å; W600-P748 HydrophobicContact CG-CG 3.88Å; W600-P748 HydrophobicContact CH2-CB 4.21Å; W600-P748 HydrophobicContact CZ2-CB 4.33Å; W600-P748 HydrophobicContact CZ3-CB 3.85Å; F603-P748 HydrophobicContact CB-CG 3.97Å; F603-P748 HydrophobicContact CD1-CB 4.01Å; F603-P748 HydrophobicContact CD1-CG 4.32Å; F603-P748 HydrophobicContact CD2-CB 3.7Å; F603-P748 HydrophobicContact CD2-CG 3.65Å; F603-P748 HydrophobicContact CE1-CB 4.06Å; F603-P748 HydrophobicContact CE2-CB 3.77Å; F603-P748 HydrophobicContact CE2-CG 4.22Å; F603-P748 HydrophobicContact CG-CB 3.84Å; F603-P748 HydrophobicContact CG-CG 3.72Å; F603-P748 HydrophobicContact CZ-CB 3.96Å; P748-A750 VanDerWaalsContact C-N 3.31Å; P748-A750 PolarHBondContact O-N 3.26Å; P748-R862 HydrophobicContact CB-CG 4.41Å; P748-R862 PolarHBondContact O-NE 2.95Å; P748-R862 PolarHBondContact O-NH2 3.37Å
749	N	93.4	Very high	97	Very high	83 Å²	83	11.5 Å²	11.5	44%	0.444	7%	0.065	S	C	.	.	S	Bend	trans	-99.2	41.2	-174.3	-61.9	-32.4	0	0	0	111.6	I680 S747	I680-N749 HydrophobicContact CD1-CB 4.05Å; S747-N749 PolarHBondContact O-N 3.12Å; S747-N749 PolarHBondContact OG-N 3.04Å; S747-N749 VanDerWaalsContact OG-N 3.13Å
750	A	96.6	Very high	97	Very high	6 Å²	6	12 Å²	12	5%	0.05	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	138.2	177.1	0	0	0	0	0	110.9	Y405 H681 P748 V752	Y405-A750 WeakPolarHBondContact OH-CB 3.03Å; H681-A750 HydrophobicContact CB-CB 4.24Å; H681-A750 CarbonylContact O-C 3.56Å; H681-A750 VanDerWaalsContact O-CA 3.25Å; H681-A750 WeakPolarHBondContact O-CA 3.47Å; P748-A750 VanDerWaalsContact C-N 3.31Å; P748-A750 PolarHBondContact O-N 3.26Å; A750-V752 HydrophobicContact CB-CG2 4.3Å
751	L	98.6	Very high	97	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	105.2	171.1	-173.4	68	0	0	0	108.1	F672 L675 H681 V682 R683 L753 V787 Q856 I857	F672-L751 HydrophobicContact CD1-CD2 3.9Å; F672-L751 HydrophobicContact CE1-CD2 3.84Å; L675-L751 HydrophobicContact CD1-CB 4.37Å; L675-L751 HydrophobicContact CD1-CD2 3.68Å; H681-L751 PolarHBondContact O-N 2.68Å; V682-L751 CarbonylContact C-O 3.53Å; V682-L751 WeakPolarHBondContact CA-O 3.13Å; V682-L751 HydrophobicContact CG1-CB 4.42Å; V682-L751 HydrophobicContact CG1-CD2 4.26Å; V682-L751 HydrophobicContact CG2-CB 4.17Å; V682-L751 HydrophobicContact CG2-CD2 4.47Å; R683-L751 PolarHBondContact N-O 3.33Å; L751-L753 HydrophobicContact CD2-CD1 3.91Å; L751-L753 HydrophobicContact CD2-CD2 4.46Å; L751-L753 HydrophobicContact CD2-CG 4.48Å; L751-L753 HydrophobicContact CG-CD1 3.72Å; L751-L753 HydrophobicContact CG-CG 4.15Å; L751-V787 HydrophobicContact CD1-CG2 3.78Å; L751-Q856 HydrophobicContact CD1-CB 4.05Å; L751-Q856 HydrophobicContact CD1-CG 3.83Å; L751-I857 HydrophobicContact CB-CD1 3.9Å; L751-I857 HydrophobicContact CB-CG1 4.13Å; L751-I857 HydrophobicContact CD1-CD1 4.21Å; L751-I857 HydrophobicContact CD1-CG1 4.23Å
752	V	98.8	Very high	97	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.006	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	119.9	179.8	-176.8	0	0	0	0	108.6	R683 E740 F743 A744 A750 V787	R683-V752 WeakPolarHBondContact O-CA 3.26Å; E740-V752 HydrophobicContact CB-CG1 4.23Å; F743-V752 HydrophobicContact CD1-CG2 3.85Å; F743-V752 HydrophobicContact CE1-CG2 4.45Å; A744-V752 HydrophobicContact CB-CB 3.87Å; A744-V752 HydrophobicContact CB-CG1 4.16Å; A744-V752 HydrophobicContact CB-CG2 4.02Å; A750-V752 HydrophobicContact CB-CG2 4.3Å; V752-V787 PolarHBondContact O-N 3.14Å
753	L	98.9	Very high	97	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	133.3	-176.5	-49.6	100.4	0	0	0	110.5	F672 V682 R683 L684 S685 L751 V787 L789 L853	F672-L753 HydrophobicContact CE1-CD1 4.04Å; F672-L753 HydrophobicContact CE1-CD2 3.91Å; F672-L753 HydrophobicContact CZ-CD1 3.99Å; F672-L753 HydrophobicContact CZ-CD2 3.83Å; V682-L753 HydrophobicContact CG1-CD1 3.86Å; R683-L753 WeakPolarHBondContact O-CD1 3.39Å; R683-L753 PolarHBondContact O-N 3.31Å; L684-L753 HydrophobicContact CD1-CB 3.83Å; S685-L753 PolarHBondContact N-O 3.28Å; L751-L753 HydrophobicContact CD2-CD1 3.91Å; L751-L753 HydrophobicContact CD2-CD2 4.46Å; L751-L753 HydrophobicContact CD2-CG 4.48Å; L751-L753 HydrophobicContact CG-CD1 3.72Å; L751-L753 HydrophobicContact CG-CG 4.15Å; L753-V787 WeakPolarHBondContact CA-O 3.45Å; L753-V787 HydrophobicContact CB-CB 4.34Å; L753-V787 HydrophobicContact CD2-CB 4Å; L753-V787 HydrophobicContact CD2-CG1 4.01Å; L753-V787 HydrophobicContact CD2-CG2 4.44Å; L753-V787 HydrophobicContact CG-CB 3.99Å; L753-V787 HydrophobicContact CG-CG2 4.38Å; L753-L789 HydrophobicContact CB-CD1 4.48Å; L753-L789 HydrophobicContact CD2-CD1 3.95Å; L753-L789 HydrophobicContact CD2-CD2 4.32Å; L753-L789 HydrophobicContact CD2-CG 4.28Å; L753-L853 HydrophobicContact CD2-CD2 3.87Å
754	W	98.9	Very high	97	Very high	4 Å²	4	22.8 Å²	22.8	2%	0.015	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	127	165.3	179	80.9	0	0	0	109.6	S685 E733 L737 E740 A756 N762 V787 L788 L789 L790	S685-W754 CarbonylContact O-C 3.52Å; S685-W754 VanDerWaalsContact O-CA 3.3Å; S685-W754 WeakPolarHBondContact O-CA 3.33Å; E733-W754 HydrophobicContact CB-CZ2 4.05Å; E733-W754 HydrophobicContact CG-CH2 4.45Å; E733-W754 HydrophobicContact CG-CZ2 4Å; L737-W754 HydrophobicContact CB-CD2 4.34Å; L737-W754 HydrophobicContact CD1-CB 3.88Å; L737-W754 HydrophobicContact CD1-CD2 3.77Å; L737-W754 HydrophobicContact CD1-CE3 3.91Å; L737-W754 HydrophobicContact CD1-CG 3.77Å; E740-W754 HydrophobicContact CB-CB 4.37Å; E740-W754 HydrophobicContact CG-CB 4.35Å; W754-A756 HydrophobicContact CH2-CB 3.59Å; W754-A756 HydrophobicContact CZ2-CB 4.3Å; W754-A756 HydrophobicContact CZ3-CB 3.77Å; W754-N762 HydrophobicContact CZ3-CB 4.49Å; W754-V787 PolarHBondContact N-O 3.49Å; W754-L788 HydrophobicContact CE3-CG 4.12Å; W754-L788 WeakPolarHBondContact O-CA 3.47Å; W754-L789 PolarHBondContact O-N 3.4Å; W754-L790 HydrophobicContact CZ3-CD2 3.83Å
755	E	98.9	Very high	97.1	Very high	7 Å²	7	22.6 Å²	22.6	3%	0.033	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	123	176.2	-176.2	172.2	-108.1	0	0	110.9	L684 S685 G686 V689 R697 L789	L684-E755 HydrophobicContact CD1-CB 4.32Å; S685-E755 PolarHBondContact O-N 3.33Å; G686-E755 WeakPolarHBondContact CA-O 3.42Å; V689-E755 HydrophobicContact CG1-CB 3.77Å; V689-E755 HydrophobicContact CG1-CG 4.37Å; R697-E755 IonicContact CZ-OE1 2.72Å; R697-E755 IonicContact CZ-OE2 3.89Å; R697-E755 IonicContact NH1-OE1 3.12Å; R697-E755 IonicContact NH1-OE2 2.76Å; R697-E755 PolarHBondContact NH1-OE2 3.08Å; R697-E755 IonicContact NH2-OE1 3.63Å; R697-E755 PolarHBondContact NH2-OE1 3Å; R697-E755 IonicContact NH2-OE2 3.57Å; R697-E755 PolarHBondContact NH2-OE2 3.26Å; E755-L789 WeakPolarHBondContact CA-O 3.12Å; E755-L789 HydrophobicContact CB-CB 3.92Å; E755-L789 HydrophobicContact CB-CD1 4.3Å; E755-L789 HydrophobicContact CG-CB 3.9Å
756	A	98.8	Very high	97.3	Very high	3 Å²	3	23.5 Å²	23.5	3%	0.025	12%	0.123	C	C	.	.			trans	-75	143.2	168.1	0	0	0	0	0	109.7	W754 F758 L789 L790 P791	W754-A756 HydrophobicContact CH2-CB 3.59Å; W754-A756 HydrophobicContact CZ2-CB 4.3Å; W754-A756 HydrophobicContact CZ3-CB 3.77Å; A756-F758 VanDerWaalsContact C-N 3.31Å; A756-F758 VanDerWaalsContact CB-O 3.26Å; A756-F758 WeakPolarHBondContact CB-O 3.43Å; A756-F758 PolarHBondContact O-N 3.44Å; A756-L789 PolarHBondContact N-O 2.96Å; A756-L790 HydrophobicContact CB-CD2 3.94Å; A756-P791 WeakPolarHBondContact O-CD 3.49Å; A756-P791 WeakPolarHBondContact O-CG 3.21Å
757	Q	98.4	Very high	97.7	Very high	51 Å²	51	23.8 Å²	23.8	24%	0.238	12%	0.124	C	C	.	.	S	Bend	trans	-59.6	-44.7	178.1	-168.2	-177.4	75.4	0	0	111.6	Q687 D688 T693 F761	Q687-Q757 HydrophobicContact CB-CB 4.34Å; D688-Q757 PolarHBondContact OD2-NE2 3.18Å; T693-Q757 HydrophobicContact CG2-CG 3.48Å; T693-Q757 VanDerWaalsContact CG2-CG 3.48Å; T693-Q757 WeakPolarHBondContact OG1-CG 3.19Å; Q757-F761 HydrophobicContact CB-CD2 4.28Å; Q757-F761 HydrophobicContact CB-CE2 4.43Å
758	F	98.7	Very high	98	Very high	15 Å²	15	22.8 Å²	22.8	7%	0.066	12%	0.117	C	C	.	.	S	Bend	trans	-128.8	147.2	159.8	-78.9	-102	0	0	0	107.7	T693 F694 A756 D760 F761 M797 H801 K871	T693-F758 HydrophobicContact CG2-CE2 4.01Å; F694-F758 AromaticContact CE1-CE1 3.85Å; F694-F758 HydrophobicContact CE1-CE1 3.85Å; F694-F758 HydrophobicContact CE1-CE2 4.33Å; F694-F758 AromaticContact CE1-CZ 3.6Å; F694-F758 HydrophobicContact CE1-CZ 3.6Å; F694-F758 HydrophobicContact CZ-CD1 4.33Å; F694-F758 AromaticContact CZ-CE1 3.88Å; F694-F758 HydrophobicContact CZ-CE1 3.88Å; F694-F758 HydrophobicContact CZ-CE2 4.31Å; F694-F758 AromaticContact CZ-CZ 3.85Å; F694-F758 HydrophobicContact CZ-CZ 3.85Å; A756-F758 VanDerWaalsContact C-N 3.31Å; A756-F758 VanDerWaalsContact CB-O 3.26Å; A756-F758 WeakPolarHBondContact CB-O 3.43Å; A756-F758 PolarHBondContact O-N 3.44Å; F758-D760 PolarHBondContact O-N 3.4Å; F758-D760 VanDerWaalsContact O-N 3.08Å; F758-F761 HydrophobicContact CB-CD2 4.11Å; F758-F761 HydrophobicContact CB-CE2 3.91Å; F758-F761 HydrophobicContact CB-CZ 4.49Å; F758-F761 HydrophobicContact CD2-CE2 4.2Å; F758-F761 HydrophobicContact CG-CE2 4.49Å; F758-F761 PolarHBondContact O-N 2.85Å; F758-F761 VanDerWaalsContact O-N 3.14Å; F758-M797 HydrophobicContact CE1-CE 4.09Å; F758-M797 HydrophobicContact CE1-SD 4.38Å; F758-M797 HydrophobicContact CZ-CE 3.98Å; F758-H801 HydrophobicContact CD1-CB 3.88Å; F758-H801 AromaticContact CD1-CD2 3.83Å; F758-H801 AromaticContact CD2-CD2 3.68Å; F758-H801 HydrophobicContact CE1-CB 3.84Å; F758-H801 AromaticContact CE1-CD2 3.74Å; F758-H801 AromaticContact CE2-CD2 3.61Å; F758-H801 AromaticContact CG-CD2 3.8Å; F758-H801 AromaticContact CZ-CD2 3.64Å; F758-K871 HydrophobicContact CD1-CD 3.97Å; F758-K871 HydrophobicContact CE1-CD 3.71Å
759	G	98.6	Very high	98.3	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-56.6	-29.7	-179.6	0	0	0	0	0	112.1	F761 N762 P791	G759-F761 PolarHBondContact O-N 3.4Å; G759-F761 VanDerWaalsContact O-N 3.14Å; G759-N762 PolarHBondContact O-N 3.49Å; G759-N762 PolarHBondContact O-ND2 2.96Å; G759-P791 WeakPolarHBondContact CA-O 3.4Å; G759-P791 PolarHBondContact N-O 3.38Å
760	D	98.8	Very high	98.5	Very high	11 Å²	11	20.7 Å²	20.7	6%	0.059	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-54	-30.7	178.9	-53.1	-115.3	0	0	0	113.7	F758 N762 N763 P799 E800 H801 S802 S803	F758-D760 PolarHBondContact O-N 3.4Å; F758-D760 VanDerWaalsContact O-N 3.08Å; D760-N762 VanDerWaalsContact C-N 3.33Å; D760-N762 PolarHBondContact O-N 2.95Å; D760-N763 PolarHBondContact O-OD1 2.61Å; D760-N763 VanDerWaalsContact O-OD1 3.13Å; D760-P799 VanDerWaalsContact OD1-O 3.14Å; D760-E800 WeakPolarHBondContact CB-O 3.47Å; D760-E800 VanDerWaalsContact CG-O 3.29Å; D760-E800 VanDerWaalsContact OD1-C 3.22Å; D760-H801 PolarHBondContact OD1-N 2.7Å; D760-S802 PolarHBondContact OD1-N 3Å; D760-S802 PolarHBondContact OD2-N 3.11Å; D760-S802 VanDerWaalsContact OD2-N 3.1Å; D760-S803 VanDerWaalsContact CA-O 3.31Å; D760-S803 WeakPolarHBondContact CA-O 3.37Å; D760-S803 PolarHBondContact OD1-N 3.11Å; D760-S803 PolarHBondContact OD2-N 2.86Å
761	F	98.7	Very high	98.6	Very high	52 Å²	52	22.9 Å²	22.9	23%	0.228	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-82.1	-3.9	-175.6	-53.9	-41.7	0	0	0	114.7	Q757 F758 G759 N763 M764 E800	Q757-F761 HydrophobicContact CB-CD2 4.28Å; Q757-F761 HydrophobicContact CB-CE2 4.43Å; F758-F761 HydrophobicContact CB-CD2 4.11Å; F758-F761 HydrophobicContact CB-CE2 3.91Å; F758-F761 HydrophobicContact CB-CZ 4.49Å; F758-F761 HydrophobicContact CD2-CE2 4.2Å; F758-F761 HydrophobicContact CG-CE2 4.49Å; F758-F761 PolarHBondContact O-N 2.85Å; F758-F761 VanDerWaalsContact O-N 3.14Å; G759-F761 PolarHBondContact O-N 3.4Å; G759-F761 VanDerWaalsContact O-N 3.14Å; F761-N763 PolarHBondContact O-N 3.31Å; F761-N763 VanDerWaalsContact O-N 3.09Å; F761-N763 PolarHBondContact O-OD1 3.5Å; F761-M764 WeakPolarHBondContact O-CB 3.46Å; F761-M764 PolarHBondContact O-N 3.16Å; F761-M764 VanDerWaalsContact O-N 3.13Å; F761-E800 HydrophobicContact CE1-CB 4.47Å
762	N	98.4	Very high	98.6	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.005	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-58.2	-26.1	177.3	81.3	84.1	0	0	0	113.3	W754 G759 D760 M764 A765 I769 L790 A804	W754-N762 HydrophobicContact CZ3-CB 4.49Å; G759-N762 PolarHBondContact O-N 3.49Å; G759-N762 PolarHBondContact O-ND2 2.96Å; D760-N762 VanDerWaalsContact C-N 3.33Å; D760-N762 PolarHBondContact O-N 2.95Å; N762-M764 PolarHBondContact O-N 2.88Å; N762-A765 PolarHBondContact O-N 3.38Å; N762-I769 HydrophobicContact CB-CD1 4.31Å; N762-L790 HydrophobicContact CB-CD2 3.9Å; N762-A804 PolarHBondContact ND2-O 2.87Å
763	N	98.1	Very high	98.5	Very high	69 Å²	69	23.8 Å²	23.8	37%	0.369	12%	0.118	S	C	.	.	G	3₁₀ helix	trans	-62.1	-21.5	179	64	-13.2	0	0	0	113.8	D760 F761 A765 Q766	D760-N763 PolarHBondContact O-OD1 2.61Å; D760-N763 VanDerWaalsContact O-OD1 3.13Å; F761-N763 PolarHBondContact O-N 3.31Å; F761-N763 VanDerWaalsContact O-N 3.09Å; F761-N763 PolarHBondContact O-OD1 3.5Å; N763-A765 PolarHBondContact O-N 3.06Å; N763-Q766 WeakPolarHBondContact O-CB 3.47Å; N763-Q766 PolarHBondContact O-N 2.7Å
764	M	98.3	Very high	98.5	Very high	113 Å²	113	24.6 Å²	24.6	56%	0.557	12%	0.124	S	C	*	.	G	3₁₀ helix	trans	-67.1	-24.7	173.8	-66.7	-60	-67.7	0	0	111.8	E733 F761 N762	E733-M764 HydrophobicContact CB-CB 3.77Å; E733-M764 HydrophobicContact CG-CB 4.08Å; F761-M764 WeakPolarHBondContact O-CB 3.46Å; F761-M764 PolarHBondContact O-N 3.16Å; F761-M764 VanDerWaalsContact O-N 3.13Å; N762-M764 PolarHBondContact O-N 2.88Å
765	A	98.4	Very high	98.3	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-105.6	21.6	177.3	0	0	0	0	0	113.3	E733 L737 N762 N763 C767 I768 I769	E733-A765 HydrophobicContact CB-CB 4.14Å; E733-A765 WeakPolarHBondContact O-CB 3.3Å; L737-A765 HydrophobicContact CB-CB 3.96Å; L737-A765 HydrophobicContact CD2-CB 3.57Å; L737-A765 HydrophobicContact CG-CB 4.37Å; N762-A765 PolarHBondContact O-N 3.38Å; N763-A765 PolarHBondContact O-N 3.06Å; A765-C767 PolarHBondContact O-N 3.29Å; A765-C767 VanDerWaalsContact O-N 3.13Å; A765-I768 WeakPolarHBondContact O-CB 3.07Å; A765-I768 PolarHBondContact O-N 3.15Å; A765-I769 PolarHBondContact O-N 3.18Å
766	Q	98.6	Very high	98.1	Very high	28 Å²	28	25.5 Å²	25.5	13%	0.131	13%	0.132	C	C	.	.	H	α-helix	trans	-55.6	-36.2	-173.1	-165.2	70.2	60.5	0	0	112.9	N763 I768 I769 D770 R808	N763-Q766 WeakPolarHBondContact O-CB 3.47Å; N763-Q766 PolarHBondContact O-N 2.7Å; Q766-I768 VanDerWaalsContact C-N 3.31Å; Q766-I768 PolarHBondContact O-N 2.96Å; Q766-I769 PolarHBondContact O-N 2.94Å; Q766-D770 WeakPolarHBondContact CG-OD2 3.42Å; Q766-D770 PolarHBondContact NE2-OD1 3.21Å; Q766-D770 WeakPolarHBondContact O-CB 3.33Å; Q766-D770 VanDerWaalsContact O-CG 3.31Å; Q766-D770 PolarHBondContact O-N 3.37Å; Q766-R808 VanDerWaalsContact OE1-CD 3.3Å
767	C	98.4	Very high	97.7	Very high	23 Å²	23	27.1 Å²	27.1	16%	0.155	14%	0.139	C	C	.	.	H	α-helix	trans	-63.9	-34.1	177.7	-173.5	0	0	0	0	112.8	H387 Y734 A765 Q771	H387-C767 VanDerWaalsContact CB-SG 3.53Å; H387-C767 PolarHBondContact CD2-SG 3.43Å; H387-C767 VanDerWaalsContact CG-SG 3.57Å; Y734-C767 HydrophobicContact CE2-CB 3.76Å; Y734-C767 WeakPolarHBondContact OH-CB 3.34Å; Y734-C767 PolarHBondContact OH-SG 3.24Å; Y734-C767 VanDerWaalsContact OH-SG 3.42Å; A765-C767 PolarHBondContact O-N 3.29Å; A765-C767 VanDerWaalsContact O-N 3.13Å; C767-Q771 WeakPolarHBondContact O-CB 3.44Å; C767-Q771 WeakPolarHBondContact O-CG 3.37Å; C767-Q771 PolarHBondContact O-N 3.4Å; C767-Q771 VanDerWaalsContact O-N 3.08Å
768	I	98.8	Very high	97.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-69.3	-42.9	174.1	-58.6	-60.9	0	0	0	109.9	Y734 L737 L741 A765 Q766 F772 I773	Y734-I768 HydrophobicContact CD2-CD1 4.09Å; Y734-I768 HydrophobicContact CD2-CG1 3.6Å; Y734-I768 HydrophobicContact CE2-CD1 3.74Å; Y734-I768 HydrophobicContact CE2-CG1 3.64Å; L737-I768 HydrophobicContact CD2-CB 4.31Å; L737-I768 HydrophobicContact CD2-CG2 4.23Å; L737-I768 HydrophobicContact CG-CB 4.4Å; L737-I768 HydrophobicContact CG-CG2 3.95Å; L741-I768 HydrophobicContact CB-CG2 4.49Å; L741-I768 HydrophobicContact CD2-CG2 3.91Å; A765-I768 WeakPolarHBondContact O-CB 3.07Å; A765-I768 PolarHBondContact O-N 3.15Å; Q766-I768 VanDerWaalsContact C-N 3.31Å; Q766-I768 PolarHBondContact O-N 2.96Å; I768-F772 HydrophobicContact CD1-CD2 4.17Å; I768-F772 HydrophobicContact CD1-CE2 4.15Å; I768-F772 WeakPolarHBondContact O-CB 3.3Å; I768-F772 PolarHBondContact O-N 3.37Å; I768-F772 VanDerWaalsContact O-N 3.1Å; I768-I773 HydrophobicContact CG2-CD1 3.98Å; I768-I773 HydrophobicContact CG2-CG1 4.13Å; I768-I773 PolarHBondContact O-N 3.32Å
769	I	98.8	Very high	97	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.146	C	C	.	.	I	π-helix	trans	-61.1	-53.6	178.3	-63.1	169.2	0	0	0	110.5	L737 N762 A765 Q766 I773 C774 L788 F809 M812 W838	L737-I769 HydrophobicContact CD2-CD1 4.36Å; L737-I769 HydrophobicContact CD2-CG1 3.9Å; N762-I769 HydrophobicContact CB-CD1 4.31Å; A765-I769 PolarHBondContact O-N 3.18Å; Q766-I769 PolarHBondContact O-N 2.94Å; I769-I773 HydrophobicContact CG1-CD1 4.24Å; I769-I773 PolarHBondContact O-N 3.13Å; I769-C774 VanDerWaalsContact O-CB 3.29Å; I769-C774 WeakPolarHBondContact O-CB 3.41Å; I769-C774 PolarHBondContact O-N 3.16Å; I769-L788 HydrophobicContact CG1-CD2 4.45Å; I769-F809 HydrophobicContact CD1-CE1 4.2Å; I769-F809 HydrophobicContact CD1-CZ 4.05Å; I769-F809 HydrophobicContact CG2-CD1 4.44Å; I769-F809 HydrophobicContact CG2-CE1 3.88Å; I769-M812 HydrophobicContact CG2-CE 4.08Å; I769-W838 HydrophobicContact CG2-CH2 3.89Å; I769-W838 HydrophobicContact CG2-CZ3 4.02Å
770	D	98.5	Very high	96.6	Very high	51 Å²	51	27.6 Å²	27.6	27%	0.273	15%	0.148	S	C	.	.	I	π-helix	trans	-72.5	-36.2	-171.7	-69.4	1	0	0	0	112.4	Q766 P775 M812	Q766-D770 WeakPolarHBondContact CG-OD2 3.42Å; Q766-D770 PolarHBondContact NE2-OD1 3.21Å; Q766-D770 WeakPolarHBondContact O-CB 3.33Å; Q766-D770 VanDerWaalsContact O-CG 3.31Å; Q766-D770 PolarHBondContact O-N 3.37Å; D770-P775 WeakPolarHBondContact O-CD 3.41Å; D770-P775 WeakPolarHBondContact O-CG 3.38Å; D770-M812 VanDerWaalsContact OD1-SD 3.42Å
771	Q	97.9	Very high	96.1	Very high	52 Å²	52	29.1 Å²	29.1	24%	0.243	16%	0.157	C	C	.	.	I	π-helix	trans	-105.2	-17.4	-167.4	-53.7	-55.9	89.7	0	0	114.3	P385 H387 C767 K779 W780	P385-Q771 HydrophobicContact CB-CB 3.83Å; P385-Q771 HydrophobicContact CB-CG 4.38Å; P385-Q771 HydrophobicContact CG-CB 3.82Å; H387-Q771 PolarHBondContact CE1-NE2 2.86Å; H387-Q771 PolarHBondContact ND1-NE2 3.03Å; C767-Q771 WeakPolarHBondContact O-CB 3.44Å; C767-Q771 WeakPolarHBondContact O-CG 3.37Å; C767-Q771 PolarHBondContact O-N 3.4Å; C767-Q771 VanDerWaalsContact O-N 3.08Å; Q771-K779 PolarHBondContact O-NZ 2.62Å; Q771-W780 WeakPolarHBondContact O-CH2 3.18Å
772	F	98.1	Very high	95.6	Very high	12 Å²	12	27.4 Å²	27.4	5%	0.053	15%	0.15	C	C	.	.	I	π-helix	trans	-123	-57	178.7	-63.9	-99.2	0	0	0	113.2	P385 A390 A391 V394 L741 I768 G776 W780	P385-F772 VanDerWaalsContact CD-CE2 3.5Å; P385-F772 HydrophobicContact CG-CD2 4.35Å; P385-F772 HydrophobicContact CG-CE2 3.62Å; P385-F772 HydrophobicContact CG-CZ 3.83Å; A390-F772 HydrophobicContact CB-CE2 4Å; A390-F772 HydrophobicContact CB-CZ 4.5Å; A391-F772 HydrophobicContact CB-CZ 4.18Å; V394-F772 HydrophobicContact CG2-CD1 4.41Å; V394-F772 HydrophobicContact CG2-CE1 4.08Å; V394-F772 HydrophobicContact CG2-CZ 4.17Å; L741-F772 HydrophobicContact CD2-CB 3.32Å; L741-F772 HydrophobicContact CD2-CD1 3.95Å; L741-F772 HydrophobicContact CD2-CG 3.76Å; I768-F772 HydrophobicContact CD1-CD2 4.17Å; I768-F772 HydrophobicContact CD1-CE2 4.15Å; I768-F772 WeakPolarHBondContact O-CB 3.3Å; I768-F772 PolarHBondContact O-N 3.37Å; I768-F772 VanDerWaalsContact O-N 3.1Å; F772-G776 WeakPolarHBondContact O-CA 3.37Å; F772-G776 PolarHBondContact O-N 3.1Å; F772-W780 AromaticContact CD1-CH2 3.8Å; F772-W780 HydrophobicContact CD1-CH2 3.8Å; F772-W780 AromaticContact CD1-CZ3 3.56Å; F772-W780 HydrophobicContact CD1-CZ3 3.56Å; F772-W780 AromaticContact CE1-CH2 3.99Å; F772-W780 HydrophobicContact CE1-CH2 3.99Å; F772-W780 HydrophobicContact CE1-CZ3 4.11Å; F772-W780 HydrophobicContact CG-CH2 4.33Å; F772-W780 HydrophobicContact CG-CZ3 4.2Å
773	I	98.4	Very high	95.2	Very high	7 Å²	7	28.1 Å²	28.1	4%	0.036	15%	0.153	C	C	.	.	I	π-helix	trans	-66.8	-48.5	-173.2	-60	173.4	0	0	0	110.3	L737 L741 I768 I769 I786 L788 W838 P864	L737-I773 HydrophobicContact CD1-CD1 4.08Å; L737-I773 HydrophobicContact CD2-CD1 3.92Å; L737-I773 HydrophobicContact CG-CD1 4.1Å; L741-I773 HydrophobicContact CD1-CG1 4.1Å; I768-I773 HydrophobicContact CG2-CD1 3.98Å; I768-I773 HydrophobicContact CG2-CG1 4.13Å; I768-I773 PolarHBondContact O-N 3.32Å; I769-I773 HydrophobicContact CG1-CD1 4.24Å; I769-I773 PolarHBondContact O-N 3.13Å; I773-I786 HydrophobicContact CG2-CG2 4.37Å; I773-L788 HydrophobicContact CD1-CD1 4.09Å; I773-L788 HydrophobicContact CD1-CD2 4.19Å; I773-W838 HydrophobicContact CB-CZ3 4.4Å; I773-W838 HydrophobicContact CG2-CE3 3.9Å; I773-W838 HydrophobicContact CG2-CZ3 4.01Å; I773-P864 HydrophobicContact CG2-CB 3.52Å; I773-P864 HydrophobicContact CG2-CG 3.7Å
774	C	97.6	Very high	95.1	Very high	18 Å²	18	25.2 Å²	25.2	12%	0.122	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-55	-179.7	-179.6	0	0	0	0	112.6	I769 N837 W838	I769-C774 VanDerWaalsContact O-CB 3.29Å; I769-C774 WeakPolarHBondContact O-CB 3.41Å; I769-C774 PolarHBondContact O-N 3.16Å; C774-N837 PolarHBondContact SG-ND2 2.7Å; C774-W838 HydrophobicContact CB-CE3 3.92Å; C774-W838 HydrophobicContact CB-CH2 3.43Å; C774-W838 VanDerWaalsContact CB-CH2 3.43Å; C774-W838 HydrophobicContact CB-CZ2 4.23Å; C774-W838 HydrophobicContact CB-CZ3 3.25Å
775	P	95.9	Very high	95	Very high	26 Å²	26	20.1 Å²	20.1	17%	0.169	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.5	6.6	-167.9	40.2	-28.8	0	0	0	113.1	D770 Q777 A778 K779	D770-P775 WeakPolarHBondContact O-CD 3.41Å; D770-P775 WeakPolarHBondContact O-CG 3.38Å; P775-Q777 VanDerWaalsContact C-N 3.27Å; P775-Q777 PolarHBondContact O-N 3.17Å; P775-A778 PolarHBondContact O-N 3.18Å; P775-K779 HydrophobicContact CB-CD 3.69Å; P775-K779 HydrophobicContact CB-CG 4.17Å; P775-K779 HydrophobicContact CG-CD 3.67Å; P775-K779 WeakPolarHBondContact O-CB 3.5Å; P775-K779 WeakPolarHBondContact O-CG 3.33Å; P775-K779 PolarHBondContact O-N 2.81Å
776	G	93.8	Very high	95	Very high	4 Å²	4	20.1 Å²	20.1	4%	0.041	11%	0.114	C	C	.	.	H	α-helix	trans	-58.4	-37.6	-172.5	0	0	0	0	0	113.3	F772 W780 R782	F772-G776 WeakPolarHBondContact O-CA 3.37Å; F772-G776 PolarHBondContact O-N 3.1Å; G776-W780 PolarHBondContact O-N 2.78Å; G776-R782 PolarHBondContact O-N 2.75Å
777	Q	91.4	Very high	95	Very high	37 Å²	37	18.8 Å²	18.8	17%	0.173	11%	0.108	C	C	.	.	H	α-helix	trans	-69.7	-46.1	172.9	-174.3	172.1	-11.6	0	0	111.9	P775 K779 V781 R782 Q783 K863	P775-Q777 VanDerWaalsContact C-N 3.27Å; P775-Q777 PolarHBondContact O-N 3.17Å; Q777-K779 VanDerWaalsContact C-N 3.33Å; Q777-K779 PolarHBondContact O-N 2.8Å; Q777-V781 WeakPolarHBondContact O-CA 3.46Å; Q777-V781 PolarHBondContact O-N 2.67Å; Q777-R782 WeakPolarHBondContact CA-O 3.28Å; Q777-R782 PolarHBondContact N-O 2.99Å; Q777-Q783 HydrophobicContact CG-CG 4.49Å; Q777-K863 VanDerWaalsContact CD-NZ 3.33Å
778	A	90.5	Very high	95.1	Very high	43 Å²	43	17.7 Å²	17.7	36%	0.355	10%	0.1	S	C	.	.	H	α-helix	trans	-64.8	-35.8	-179.1	0	0	0	0	0	113	G354 S355 G356 P775	G354-A778 CarbonylContact C-O 3.6Å; G354-A778 VanDerWaalsContact CA-O 3.23Å; G354-A778 WeakPolarHBondContact CA-O 3.25Å; S355-A778 PolarHBondContact N-O 3.39Å; S355-A778 PolarHBondContact OG-O 3.28Å; G356-A778 PolarHBondContact N-O 2.85Å; P775-A778 PolarHBondContact O-N 3.18Å
779	K	91.4	Very high	95.1	Very high	22 Å²	22	17.7 Å²	17.7	10%	0.096	10%	0.1	C	C	.	.	H	α-helix	trans	-83	-39.5	-178.2	-69.5	165.4	61.3	-168	0	113	G356 D357 Q771 P775 Q777	G356-K779 CarbonylContact C-O 3.55Å; G356-K779 WeakPolarHBondContact CA-O 3.25Å; D357-K779 HydrophobicContact CB-CB 4.41Å; D357-K779 VanDerWaalsContact OD2-CE 3.25Å; D357-K779 WeakPolarHBondContact OD2-CE 3.43Å; D357-K779 IonicContact OD2-NZ 2.95Å; Q771-K779 PolarHBondContact O-NZ 2.62Å; P775-K779 HydrophobicContact CB-CD 3.69Å; P775-K779 HydrophobicContact CB-CG 4.17Å; P775-K779 HydrophobicContact CG-CD 3.67Å; P775-K779 WeakPolarHBondContact O-CB 3.5Å; P775-K779 WeakPolarHBondContact O-CG 3.33Å; P775-K779 PolarHBondContact O-N 2.81Å; Q777-K779 VanDerWaalsContact C-N 3.33Å; Q777-K779 PolarHBondContact O-N 2.8Å
780	W	90.1	Very high	95.1	Very high	11 Å²	11	17.7 Å²	17.7	4%	0.042	10%	0.1	C	C	.	.	H	α-helix	trans	-132.5	10.2	-165.6	-48.6	-46.9	0	0	0	114	D357 A383 Q771 F772 G776 R782	D357-W780 PolarHBondContact OD2-NE1 2.69Å; A383-W780 HydrophobicContact CB-CB 4.21Å; A383-W780 HydrophobicContact CB-CD2 3.64Å; A383-W780 HydrophobicContact CB-CE3 4.14Å; A383-W780 HydrophobicContact CB-CG 3.68Å; Q771-W780 WeakPolarHBondContact O-CH2 3.18Å; F772-W780 AromaticContact CD1-CH2 3.8Å; F772-W780 HydrophobicContact CD1-CH2 3.8Å; F772-W780 AromaticContact CD1-CZ3 3.56Å; F772-W780 HydrophobicContact CD1-CZ3 3.56Å; F772-W780 AromaticContact CE1-CH2 3.99Å; F772-W780 HydrophobicContact CE1-CH2 3.99Å; F772-W780 HydrophobicContact CE1-CZ3 4.11Å; F772-W780 HydrophobicContact CG-CH2 4.33Å; F772-W780 HydrophobicContact CG-CZ3 4.2Å; G776-W780 PolarHBondContact O-N 2.78Å; W780-R782 HydrophobicContact CB-CB 4.39Å; W780-R782 PolarHBondContact O-N 3.38Å
781	V	87.2	Confident	95.1	Very high	43 Å²	43	15.3 Å²	15.3	26%	0.261	9%	0.087	S	C	.	.			trans	52.8	29	-175.7	-170.6	0	0	0	0	111.2	I592 L596 Q777 Q783	I592-V781 HydrophobicContact CB-CG2 3.72Å; I592-V781 HydrophobicContact CD1-CG2 4.33Å; I592-V781 HydrophobicContact CG2-CB 4.17Å; I592-V781 HydrophobicContact CG2-CG2 3.51Å; L596-V781 HydrophobicContact CD2-CB 4.18Å; L596-V781 VanDerWaalsContact CD2-O 3.31Å; L596-V781 WeakPolarHBondContact CD2-O 3.31Å; Q777-V781 WeakPolarHBondContact O-CA 3.46Å; Q777-V781 PolarHBondContact O-N 2.67Å; V781-Q783 PolarHBondContact O-N 3.35Å
782	R	87.9	Confident	95.1	Very high	16 Å²	16	13.2 Å²	13.2	6%	0.06	8%	0.077	C	C	.	.			trans	-92.7	100.3	-179.1	-174.7	69	63.6	-115	-34.7	110.2	D597 S598 M745 G776 Q777 W780	D597-R782 VanDerWaalsContact CG-CZ 3.42Å; D597-R782 IonicContact OD1-CZ 3.62Å; D597-R782 IonicContact OD1-NE 3.82Å; D597-R782 PolarHBondContact OD1-NE 3.28Å; D597-R782 IonicContact OD1-NH1 2.7Å; D597-R782 IonicContact OD1-NH2 2.69Å; D597-R782 PolarHBondContact OD1-NH2 2.97Å; D597-R782 VanDerWaalsContact OD1-NH2 3.14Å; D597-R782 IonicContact OD2-CZ 3.43Å; D597-R782 IonicContact OD2-NE 2.7Å; D597-R782 IonicContact OD2-NH2 3.64Å; D597-R782 PolarHBondContact OD2-NH2 3.17Å; S598-R782 VanDerWaalsContact N-NH1 3.16Å; S598-R782 PolarHBondContact O-NH1 2.86Å; M745-R782 HydrophobicContact CE-CG 3.99Å; G776-R782 PolarHBondContact O-N 2.75Å; Q777-R782 WeakPolarHBondContact CA-O 3.28Å; Q777-R782 PolarHBondContact N-O 2.99Å; W780-R782 HydrophobicContact CB-CB 4.39Å; W780-R782 PolarHBondContact O-N 3.38Å
783	Q	91.6	Very high	95.1	Very high	15 Å²	15	12.6 Å²	12.6	7%	0.07	8%	0.075	C	C	.	.			trans	-69	145.6	163.8	-69.5	-168.2	13.8	0	0	110.6	W600 F604 Q777 V781 F861 R862	W600-Q783 HydrophobicContact CH2-CB 4.21Å; W600-Q783 WeakPolarHBondContact CH2-O 3.36Å; W600-Q783 HydrophobicContact CZ3-CB 3.9Å; F604-Q783 HydrophobicContact CZ-CG 4.37Å; F604-Q783 VanDerWaalsContact CZ-OE1 3.26Å; Q777-Q783 HydrophobicContact CG-CG 4.49Å; V781-Q783 PolarHBondContact O-N 3.35Å; Q783-F861 VanDerWaalsContact OE1-CB 3.3Å; Q783-R862 HydrophobicContact CB-CB 4.28Å; Q783-R862 WeakPolarHBondContact CB-O 3.32Å
784	N	95.4	Very high	95.1	Very high	9 Å²	9	12.4 Å²	12.4	5%	0.048	7%	0.074	C	C	.	.			trans	-149.2	138.4	178.4	-167.9	-66.7	0	0	0	109.8	L741 A744 M745 I786 R862 K863 P864	L741-N784 HydrophobicContact CD1-CB 4.45Å; L741-N784 WeakPolarHBondContact CD1-ND2 3.4Å; L741-N784 PolarHBondContact O-ND2 3.22Å; L741-N784 VanDerWaalsContact O-ND2 3.11Å; A744-N784 VanDerWaalsContact CB-OD1 3.31Å; A744-N784 WeakPolarHBondContact CB-OD1 3.32Å; M745-N784 WeakPolarHBondContact CG-ND2 3.4Å; N784-I786 VanDerWaalsContact OD1-CB 3.25Å; N784-I786 WeakPolarHBondContact OD1-CB 3.36Å; N784-I786 WeakPolarHBondContact OD1-CG2 3.39Å; N784-I786 PolarHBondContact OD1-N 2.8Å; N784-R862 CarbonylContact O-C 3.57Å; N784-K863 CarbonylContact O-C 3.5Å; N784-K863 VanDerWaalsContact O-CA 3.31Å; N784-K863 WeakPolarHBondContact O-CA 3.48Å; N784-K863 PolarHBondContact O-N 3.06Å; N784-P864 WeakPolarHBondContact O-CD 3.27Å; N784-P864 VanDerWaalsContact O-N 3.1Å
785	G	96.6	Very high	95	Very high	6 Å²	6	14 Å²	14	6%	0.062	8%	0.08	C	C	.	.			trans	-100.3	13	-175.3	0	0	0	0	0	115.3	Q856	G785-Q856 PolarHBondContact O-NE2 2.92Å
786	I	98.7	Very high	95	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.081	C	C	.	.			trans	-58.3	138.3	-175.6	-167.1	173.1	0	0	0	112.2	L737 E740 L741 A744 I773 N784 L788 P864 L865	L737-I786 HydrophobicContact CD1-CD1 3.76Å; E740-I786 HydrophobicContact CB-CD1 4.13Å; L741-I786 HydrophobicContact CB-CD1 4.28Å; A744-I786 HydrophobicContact CB-CB 4.14Å; I773-I786 HydrophobicContact CG2-CG2 4.37Å; N784-I786 VanDerWaalsContact OD1-CB 3.25Å; N784-I786 WeakPolarHBondContact OD1-CB 3.36Å; N784-I786 WeakPolarHBondContact OD1-CG2 3.39Å; N784-I786 PolarHBondContact OD1-N 2.8Å; I786-L788 HydrophobicContact CD1-CD1 4.07Å; I786-L788 HydrophobicContact CG1-CD1 3.95Å; I786-L788 HydrophobicContact CG2-CD1 4.04Å; I786-P864 HydrophobicContact CG2-CB 4.12Å; I786-P864 HydrophobicContact CG2-CG 4.49Å; I786-P864 WeakPolarHBondContact O-CA 3.47Å; I786-L865 PolarHBondContact O-N 3.44Å
787	V	98.9	Very high	95.2	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	126.2	174.6	-174.1	0	0	0	0	109.7	L751 V752 L753 W754 L789 L853 Q856 L865 V867	L751-V787 HydrophobicContact CD1-CG2 3.78Å; V752-V787 PolarHBondContact O-N 3.14Å; L753-V787 WeakPolarHBondContact CA-O 3.45Å; L753-V787 HydrophobicContact CB-CB 4.34Å; L753-V787 HydrophobicContact CD2-CB 4Å; L753-V787 HydrophobicContact CD2-CG1 4.01Å; L753-V787 HydrophobicContact CD2-CG2 4.44Å; L753-V787 HydrophobicContact CG-CB 3.99Å; L753-V787 HydrophobicContact CG-CG2 4.38Å; W754-V787 PolarHBondContact N-O 3.49Å; V787-L789 HydrophobicContact CG1-CD2 3.76Å; V787-L789 HydrophobicContact CG1-CG 4.41Å; V787-L853 HydrophobicContact CG1-CD2 4.36Å; V787-Q856 HydrophobicContact CG2-CG 3.95Å; V787-L865 CarbonylContact C-O 3.52Å; V787-L865 WeakPolarHBondContact CA-O 3.49Å; V787-L865 HydrophobicContact CG1-CB 4.36Å; V787-L865 HydrophobicContact CG1-CD2 4.03Å; V787-L865 HydrophobicContact CG1-CG 4.23Å; V787-L865 HydrophobicContact CG2-CB 4.23Å; V787-L865 HydrophobicContact CG2-CD2 4.2Å; V787-V867 HydrophobicContact CG1-CG2 4.01Å
788	L	98.9	Very high	95.5	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	114.3	173.8	-82.3	64.6	0	0	0	108.6	L737 W754 I769 I773 I786 L790 F809 L865 I866 V867	L737-L788 HydrophobicContact CD1-CD1 4.19Å; L737-L788 HydrophobicContact CD1-CG 4.29Å; L737-L788 HydrophobicContact CD2-CD2 4.38Å; W754-L788 HydrophobicContact CE3-CG 4.12Å; W754-L788 WeakPolarHBondContact O-CA 3.47Å; I769-L788 HydrophobicContact CG1-CD2 4.45Å; I773-L788 HydrophobicContact CD1-CD1 4.09Å; I773-L788 HydrophobicContact CD1-CD2 4.19Å; I786-L788 HydrophobicContact CD1-CD1 4.07Å; I786-L788 HydrophobicContact CG1-CD1 3.95Å; I786-L788 HydrophobicContact CG2-CD1 4.04Å; L788-L790 HydrophobicContact CB-CD2 4.43Å; L788-L790 HydrophobicContact CB-CG 4.31Å; L788-F809 HydrophobicContact CD2-CE1 4.44Å; L788-L865 PolarHBondContact N-O 3.2Å; L788-I866 HydrophobicContact CB-CD1 4Å; L788-I866 HydrophobicContact CD1-CD1 4.33Å; L788-I866 HydrophobicContact CD2-CD1 3.84Å; L788-I866 HydrophobicContact CG-CD1 4.26Å; L788-V867 PolarHBondContact O-N 2.79Å
789	L	98.9	Very high	95.8	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	111.1	174.1	-56	-177.5	0	0	0	108.8	L684 L753 W754 E755 A756 V787 P791 F849 V867 T869	L684-L789 HydrophobicContact CD1-CD1 4.26Å; L753-L789 HydrophobicContact CB-CD1 4.48Å; L753-L789 HydrophobicContact CD2-CD1 3.95Å; L753-L789 HydrophobicContact CD2-CD2 4.32Å; L753-L789 HydrophobicContact CD2-CG 4.28Å; W754-L789 PolarHBondContact O-N 3.4Å; E755-L789 WeakPolarHBondContact CA-O 3.12Å; E755-L789 HydrophobicContact CB-CB 3.92Å; E755-L789 HydrophobicContact CB-CD1 4.3Å; E755-L789 HydrophobicContact CG-CB 3.9Å; A756-L789 PolarHBondContact N-O 2.96Å; V787-L789 HydrophobicContact CG1-CD2 3.76Å; V787-L789 HydrophobicContact CG1-CG 4.41Å; L789-P791 WeakPolarHBondContact O-CD 3.43Å; L789-F849 HydrophobicContact CD2-CE2 4.09Å; L789-F849 HydrophobicContact CD2-CZ 4.16Å; L789-V867 HydrophobicContact CD2-CB 4.01Å; L789-V867 HydrophobicContact CD2-CG2 4.12Å; L789-T869 HydrophobicContact CB-CG2 3.88Å; L789-T869 HydrophobicContact CD2-CG2 3.83Å; L789-T869 HydrophobicContact CG-CG2 4.36Å
790	L	98.9	Very high	96.1	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.108	C	C	.	.			trans	-120.6	96.2	-171.2	-57.4	-178.7	0	0	0	111	W754 A756 N762 L788 H792 A804 F809 I866 V867 F868 T869	W754-L790 HydrophobicContact CZ3-CD2 3.83Å; A756-L790 HydrophobicContact CB-CD2 3.94Å; N762-L790 HydrophobicContact CB-CD2 3.9Å; L788-L790 HydrophobicContact CB-CD2 4.43Å; L788-L790 HydrophobicContact CB-CG 4.31Å; L790-H792 PolarHBondContact O-N 2.9Å; L790-H792 VanDerWaalsContact O-N 3.17Å; L790-A804 HydrophobicContact CB-CB 3.81Å; L790-A804 HydrophobicContact CD1-CB 4.34Å; L790-F809 HydrophobicContact CD1-CD2 4.49Å; L790-F809 HydrophobicContact CD1-CE1 4.45Å; L790-F809 HydrophobicContact CD1-CE2 3.59Å; L790-F809 HydrophobicContact CD1-CZ 3.57Å; L790-I866 HydrophobicContact CD1-CG2 3.88Å; L790-V867 PolarHBondContact N-O 3.27Å; L790-F868 HydrophobicContact CB-CD1 4.25Å; L790-F868 HydrophobicContact CD1-CD1 4.44Å; L790-F868 HydrophobicContact CD1-CE1 4.08Å; L790-F868 CarbonylContact O-C 3.57Å; L790-F868 WeakPolarHBondContact O-CA 3.27Å; L790-T869 VanDerWaalsContact C-OG1 3.3Å; L790-T869 PolarHBondContact O-N 3.31Å
791	P	98.8	Very high	96.5	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.12	C	C	.	.			trans	-57.6	120.3	-179.2	-27.4	34.3	0	0	0	112.8	F694 A756 G759 L789 T869 K871	F694-P791 HydrophobicContact CE2-CB 3.8Å; F694-P791 HydrophobicContact CE2-CG 3.95Å; F694-P791 HydrophobicContact CZ-CB 3.93Å; F694-P791 HydrophobicContact CZ-CG 4.45Å; A756-P791 WeakPolarHBondContact O-CD 3.49Å; A756-P791 WeakPolarHBondContact O-CG 3.21Å; G759-P791 WeakPolarHBondContact CA-O 3.4Å; G759-P791 PolarHBondContact N-O 3.38Å; L789-P791 WeakPolarHBondContact O-CD 3.43Å; P791-T869 CarbonylContact C-O 3.58Å; P791-T869 VanDerWaalsContact CA-O 3.27Å; P791-T869 WeakPolarHBondContact CA-O 3.43Å; P791-T869 WeakPolarHBondContact CA-OG1 3.42Å; P791-T869 VanDerWaalsContact N-OG1 3.16Å; P791-K871 HydrophobicContact CB-CD 4.35Å; P791-K871 HydrophobicContact CB-CG 4.03Å
792	H	98.8	Very high	97	Very high	8 Å²	8	20.4 Å²	20.4	4%	0.037	11%	0.107	C	C	.	.			trans	-136.3	144.4	-169.4	-178.5	45.1	0	0	0	111.3	L790 S802 A804 F868 T869 E970 Y976	L790-H792 PolarHBondContact O-N 2.9Å; L790-H792 VanDerWaalsContact O-N 3.17Å; H792-S802 PolarHBondContact ND1-O 3.01Å; H792-A804 HydrophobicContact CB-CB 4.07Å; H792-A804 PolarHBondContact ND1-N 2.84Å; H792-F868 HydrophobicContact CB-CB 3.94Å; H792-F868 HydrophobicContact CB-CD1 4.45Å; H792-T869 PolarHBondContact N-O 2.78Å; H792-E970 IonicContact CE1-OE1 3.34Å; H792-E970 PolarHBondContact CE1-OE1 2.91Å; H792-E970 IonicContact NE2-OE1 3.45Å; H792-E970 PolarHBondContact NE2-OE1 3.24Å; H792-Y976 PolarHBondContact CD2-OH 3.36Å; H792-Y976 PolarHBondContact NE2-OH 2.9Å
793	G	97.7	Very high	97.5	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.104	C	C	.	.			trans	153.6	137.2	170.4	0	0	0	0	0	113.4	E795 S802 K871 E969	G793-E795 PolarHBondContact O-N 3.18Å; G793-E795 VanDerWaalsContact O-N 3.17Å; G793-S802 CarbonylContact C-O 3.49Å; G793-S802 PolarHBondContact N-O 3.49Å; G793-S802 WeakPolarHBondContact O-CA 3.46Å; G793-K871 WeakPolarHBondContact O-CE 3.36Å; G793-K871 PolarHBondContact O-NZ 2.97Å; G793-E969 WeakPolarHBondContact CA-OE1 3.37Å
794	M	97.3	Very high	97.9	Very high	3 Å²	3	19 Å²	19	2%	0.015	10%	0.101	C	C	.	.			trans	-80.7	93.8	177.7	-63.9	-72.1	169.2	0	0	110.3	E969 E970 P1005 A1006 H1013	M794-E969 HydrophobicContact CB-CB 4.07Å; M794-E969 HydrophobicContact CB-CG 3.91Å; M794-E969 HydrophobicContact CG-CB 4.08Å; M794-E969 HydrophobicContact CG-CG 3.72Å; M794-E969 PolarHBondContact N-OE1 3.28Å; M794-E970 HydrophobicContact CE-CB 4.21Å; M794-E970 HydrophobicContact CE-CG 3.97Å; M794-P1005 WeakPolarHBondContact CE-O 3.47Å; M794-A1006 HydrophobicContact SD-CB 3.87Å; M794-H1013 PolarHBondContact O-CE1 2.86Å
795	E	96.8	Very high	98	Very high	52 Å²	52	21.3 Å²	21.3	24%	0.243	11%	0.109	C	C	.	.	S	Bend	trans	-120	12.2	-172.6	-62.2	176.4	176.7	0	0	113.3	G793 K871 S872 K918	G793-E795 PolarHBondContact O-N 3.18Å; G793-E795 VanDerWaalsContact O-N 3.17Å; E795-K871 WeakPolarHBondContact OE2-CB 3.47Å; E795-S872 WeakPolarHBondContact OE1-CB 3.49Å; E795-S872 PolarHBondContact OE1-N 3.42Å; E795-S872 PolarHBondContact OE1-OG 2.99Å; E795-K918 HydrophobicContact CG-CD 4.35Å
796	G	96.3	Very high	98.1	Very high	19 Å²	19	21 Å²	21	20%	0.196	11%	0.106	C	C	.	.	S	Bend	trans	76.4	25.8	178	0	0	0	0	0	114.2	H1013	G796-H1013 PolarHBondContact N-CE1 2.94Å
797	M	96.4	Very high	98.1	Very high	93 Å²	93	23 Å²	23	46%	0.458	12%	0.116	S	C	.	.	S	Bend	trans	-92	2.5	179.5	-63.8	-175.3	66.5	0	0	114	F758 H801	F758-M797 HydrophobicContact CE1-CE 4.09Å; F758-M797 HydrophobicContact CE1-SD 4.38Å; F758-M797 HydrophobicContact CZ-CE 3.98Å; M797-H801 HydrophobicContact CB-CB 3.69Å; M797-H801 HydrophobicContact CE-CB 4.31Å
798	G	97.5	Very high	98.1	Very high	7 Å²	7	26.8 Å²	26.8	7%	0.072	13%	0.13	C	C	.	.			trans	91.2	178.5	-178.3	0	0	0	0	0	114.1	E800 H801 S802	G798-E800 PolarHBondContact O-N 2.77Å; G798-H801 PolarHBondContact O-N 3.32Å; G798-S802 PolarHBondContact O-OG 2.67Å
799	P	97.8	Very high	98.1	Very high	30 Å²	30	26.9 Å²	26.9	20%	0.195	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-28	-165.1	12.8	-16.7	0	0	0	115.9	D760 A1004 P1005 A1006	D760-P799 VanDerWaalsContact OD1-O 3.14Å; P799-A1004 HydrophobicContact CB-CB 4.24Å; P799-P1005 WeakPolarHBondContact O-CB 3.44Å; P799-P1005 WeakPolarHBondContact O-CG 3.1Å; P799-A1006 WeakPolarHBondContact CB-O 3.48Å
800	E	98.1	Very high	98.1	Very high	107 Å²	107	27 Å²	27	50%	0.5	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	12.2	-177.7	-65.3	68.5	-146.2	0	0	113.8	D760 F761 G798	D760-E800 WeakPolarHBondContact CB-O 3.47Å; D760-E800 VanDerWaalsContact CG-O 3.29Å; D760-E800 VanDerWaalsContact OD1-C 3.22Å; F761-E800 HydrophobicContact CE1-CB 4.47Å; G798-E800 PolarHBondContact O-N 2.77Å
801	H	98.4	Very high	98.1	Very high	64 Å²	64	34.7 Å²	34.7	30%	0.296	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-137.2	29.2	-179.4	-60.9	87.2	0	0	0	111.7	F758 D760 M797 G798 K871	F758-H801 HydrophobicContact CD1-CB 3.88Å; F758-H801 AromaticContact CD1-CD2 3.83Å; F758-H801 AromaticContact CD2-CD2 3.68Å; F758-H801 HydrophobicContact CE1-CB 3.84Å; F758-H801 AromaticContact CE1-CD2 3.74Å; F758-H801 AromaticContact CE2-CD2 3.61Å; F758-H801 AromaticContact CG-CD2 3.8Å; F758-H801 AromaticContact CZ-CD2 3.64Å; D760-H801 PolarHBondContact OD1-N 2.7Å; M797-H801 HydrophobicContact CB-CB 3.69Å; M797-H801 HydrophobicContact CE-CB 4.31Å; G798-H801 PolarHBondContact O-N 3.32Å; H801-K871 PolarHBondContact O-NZ 3.05Å
802	S	98.3	Very high	98	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.5	-43.9	-170.8	-64.2	0	0	0	0	113.2	D760 H792 G793 G798 A1006	D760-S802 PolarHBondContact OD1-N 3Å; D760-S802 PolarHBondContact OD2-N 3.11Å; D760-S802 VanDerWaalsContact OD2-N 3.1Å; H792-S802 PolarHBondContact ND1-O 3.01Å; G793-S802 CarbonylContact C-O 3.49Å; G793-S802 PolarHBondContact N-O 3.49Å; G793-S802 WeakPolarHBondContact O-CA 3.46Å; G798-S802 PolarHBondContact O-OG 2.67Å; S802-A1006 WeakPolarHBondContact OG-CB 3.35Å
803	S	98.6	Very high	98	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.18	C	C	.	.			trans	-124	118.5	-168.6	-168.4	0	0	0	0	112.7	D760 R805	D760-S803 VanDerWaalsContact CA-O 3.31Å; D760-S803 WeakPolarHBondContact CA-O 3.37Å; D760-S803 PolarHBondContact OD1-N 3.11Å; D760-S803 PolarHBondContact OD2-N 2.86Å; S803-R805 PolarHBondContact O-N 2.94Å; S803-R805 VanDerWaalsContact O-N 3.14Å; S803-R805 PolarHBondContact OG-N 3.2Å
804	A	98.6	Very high	97.8	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.204	C	C	.	.			trans	-70.6	1.7	164.5	0	0	0	0	0	113.3	N762 L790 H792 F868	N762-A804 PolarHBondContact ND2-O 2.87Å; L790-A804 HydrophobicContact CB-CB 3.81Å; L790-A804 HydrophobicContact CD1-CB 4.34Å; H792-A804 HydrophobicContact CB-CB 4.07Å; H792-A804 PolarHBondContact ND1-N 2.84Å; A804-F868 HydrophobicContact CB-CD1 3.52Å; A804-F868 HydrophobicContact CB-CE1 3.73Å
805	R	98.6	Very high	97.5	Very high	59 Å²	59	43.3 Å²	43.3	22%	0.223	21%	0.213	C	C	.	.			trans	55.7	54.8	-174.6	-60.4	-173.7	169.3	-83.4	4.2	112.9	S803 E807 R808	S803-R805 PolarHBondContact O-N 2.94Å; S803-R805 VanDerWaalsContact O-N 3.14Å; S803-R805 PolarHBondContact OG-N 3.2Å; R805-E807 VanDerWaalsContact C-OE2 3.26Å; R805-E807 WeakPolarHBondContact CA-OE1 3.49Å; R805-E807 VanDerWaalsContact CA-OE2 3.31Å; R805-E807 WeakPolarHBondContact CA-OE2 3.32Å; R805-E807 WeakPolarHBondContact CB-OE1 3.4Å; R805-E807 IonicContact NH1-OE1 3.74Å; R805-E807 PolarHBondContact NH1-OE1 3.26Å; R805-E807 PolarHBondContact O-N 3.48Å; R805-R808 HydrophobicContact CB-CB 4.45Å; R805-R808 WeakPolarHBondContact O-CB 3.32Å; R805-R808 PolarHBondContact O-N 2.83Å
806	P	98.6	Very high	97.3	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-53.7	-30	178.8	26.7	-38.1	0	0	0	113.1	R808 F809 L810 F868 Y976	P806-R808 PolarHBondContact O-N 3.01Å; P806-R808 VanDerWaalsContact O-N 3.17Å; P806-F809 PolarHBondContact O-N 3.31Å; P806-L810 WeakPolarHBondContact O-CB 3.48Å; P806-L810 VanDerWaalsContact O-CG 3.3Å; P806-L810 WeakPolarHBondContact O-CG 3.5Å; P806-L810 PolarHBondContact O-N 2.99Å; P806-F868 HydrophobicContact CB-CD1 4.44Å; P806-F868 HydrophobicContact CB-CD2 4.18Å; P806-F868 HydrophobicContact CB-CE1 3.83Å; P806-F868 HydrophobicContact CB-CE2 3.51Å; P806-F868 HydrophobicContact CB-CZ 3.34Å; P806-Y976 HydrophobicContact CB-CD1 3.98Å; P806-Y976 HydrophobicContact CB-CE1 3.29Å; P806-Y976 HydrophobicContact CG-CD1 4.27Å; P806-Y976 HydrophobicContact CG-CE1 3.71Å; P806-Y976 HydrophobicContact CG-CE2 4.2Å
807	E	98.6	Very high	97.3	Very high	41 Å²	41	45.7 Å²	45.7	19%	0.192	23%	0.225	C	C	.	.	H	α-helix	trans	-56.1	-32.9	177.3	67.5	-77.8	178.2	0	0	112.8	R805 Q811 G975	R805-E807 VanDerWaalsContact C-OE2 3.26Å; R805-E807 WeakPolarHBondContact CA-OE1 3.49Å; R805-E807 VanDerWaalsContact CA-OE2 3.31Å; R805-E807 WeakPolarHBondContact CA-OE2 3.32Å; R805-E807 WeakPolarHBondContact CB-OE1 3.4Å; R805-E807 IonicContact NH1-OE1 3.74Å; R805-E807 PolarHBondContact NH1-OE1 3.26Å; R805-E807 PolarHBondContact O-N 3.48Å; E807-Q811 VanDerWaalsContact O-CB 3.26Å; E807-Q811 WeakPolarHBondContact O-CB 3.27Å; E807-Q811 PolarHBondContact O-N 3.49Å; E807-G975 WeakPolarHBondContact CA-O 3.2Å; E807-G975 VanDerWaalsContact CB-O 3.3Å; E807-G975 WeakPolarHBondContact CB-O 3.43Å; E807-G975 PolarHBondContact N-O 3.42Å; E807-G975 PolarHBondContact OE2-N 2.88Å
808	R	98.6	Very high	97.2	Very high	79 Å²	79	46 Å²	46	30%	0.298	23%	0.229	S	C	.	.	H	α-helix	trans	-76.1	-41.3	-178.1	-172.9	178.2	-65	171	-1.4	111.6	Q766 R805 P806 L810 M812	Q766-R808 VanDerWaalsContact OE1-CD 3.3Å; R805-R808 HydrophobicContact CB-CB 4.45Å; R805-R808 WeakPolarHBondContact O-CB 3.32Å; R805-R808 PolarHBondContact O-N 2.83Å; P806-R808 PolarHBondContact O-N 3.01Å; P806-R808 VanDerWaalsContact O-N 3.17Å; R808-L810 VanDerWaalsContact C-N 3.34Å; R808-M812 HydrophobicContact CG-CE 4.16Å; R808-M812 WeakPolarHBondContact O-CE 3.34Å; R808-M812 PolarHBondContact O-N 2.78Å
809	F	98.8	Very high	97	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.009	25%	0.249	C	C	.	.	H	α-helix	trans	-64.5	-42.1	174.2	-68.9	-83.1	0	0	0	111.1	I769 L788 L790 P806 M812 C813 W838 I866 F868	I769-F809 HydrophobicContact CD1-CE1 4.2Å; I769-F809 HydrophobicContact CD1-CZ 4.05Å; I769-F809 HydrophobicContact CG2-CD1 4.44Å; I769-F809 HydrophobicContact CG2-CE1 3.88Å; L788-F809 HydrophobicContact CD2-CE1 4.44Å; L790-F809 HydrophobicContact CD1-CD2 4.49Å; L790-F809 HydrophobicContact CD1-CE1 4.45Å; L790-F809 HydrophobicContact CD1-CE2 3.59Å; L790-F809 HydrophobicContact CD1-CZ 3.57Å; P806-F809 PolarHBondContact O-N 3.31Å; F809-M812 PolarHBondContact O-N 3.36Å; F809-C813 PolarHBondContact O-N 3.3Å; F809-W838 HydrophobicContact CB-CZ2 4.29Å; F809-W838 AromaticContact CD1-CH2 3.95Å; F809-W838 HydrophobicContact CD1-CH2 3.95Å; F809-W838 HydrophobicContact CD1-CZ2 4.03Å; F809-W838 WeakPolarHBondContact O-CZ2 3.46Å; F809-W838 PolarHBondContact O-NE1 3.39Å; F809-I866 HydrophobicContact CD1-CD1 4.06Å; F809-I866 HydrophobicContact CD1-CG1 3.92Å; F809-I866 HydrophobicContact CD1-CG2 3.9Å; F809-I866 HydrophobicContact CD2-CG2 4.32Å; F809-I866 HydrophobicContact CE1-CD1 3.97Å; F809-I866 HydrophobicContact CE1-CG1 4.31Å; F809-I866 HydrophobicContact CE1-CG2 4.08Å; F809-I866 HydrophobicContact CE2-CG2 4.49Å; F809-I866 HydrophobicContact CG-CG2 4.02Å; F809-I866 HydrophobicContact CZ-CG2 4.38Å; F809-F868 HydrophobicContact CB-CZ 4.5Å; F809-F868 HydrophobicContact CD2-CE1 4.12Å; F809-F868 HydrophobicContact CD2-CZ 4.04Å; F809-F868 HydrophobicContact CE2-CE1 4.42Å; F809-F868 HydrophobicContact CG-CZ 4.49Å
810	L	98.6	Very high	96.8	Very high	2 Å²	2	51.9 Å²	51.9	1%	0.01	26%	0.259	C	S	.	.	H	α-helix	trans	-70.4	-34.7	-179.6	-69.5	169.8	0	0	0	113.1	P806 R808 M812 C813 V840 L944 Y976 Y979	P806-L810 WeakPolarHBondContact O-CB 3.48Å; P806-L810 VanDerWaalsContact O-CG 3.3Å; P806-L810 WeakPolarHBondContact O-CG 3.5Å; P806-L810 PolarHBondContact O-N 2.99Å; R808-L810 VanDerWaalsContact C-N 3.34Å; L810-M812 PolarHBondContact O-N 2.95Å; L810-C813 WeakPolarHBondContact O-CB 3.49Å; L810-C813 PolarHBondContact O-N 3.43Å; L810-V840 HydrophobicContact CD2-CB 4.13Å; L810-V840 HydrophobicContact CD2-CG1 3.9Å; L810-V840 HydrophobicContact CD2-CG2 4.37Å; L810-V840 HydrophobicContact CG-CG1 4.41Å; L810-L944 HydrophobicContact CD1-CD1 3.98Å; L810-L944 HydrophobicContact CD2-CB 3.88Å; L810-Y976 HydrophobicContact CD1-CD1 3.53Å; L810-Y976 HydrophobicContact CD1-CE1 4.13Å; L810-Y979 HydrophobicContact CB-CD1 4.44Å; L810-Y979 HydrophobicContact CB-CD2 3.58Å; L810-Y979 HydrophobicContact CB-CE2 4.15Å; L810-Y979 HydrophobicContact CB-CG 3.73Å; L810-Y979 HydrophobicContact CD1-CD1 4.28Å; L810-Y979 HydrophobicContact CD1-CG 4.19Å; L810-Y979 HydrophobicContact CD2-CD1 3.93Å; L810-Y979 HydrophobicContact CD2-CD2 4.12Å; L810-Y979 HydrophobicContact CD2-CE1 3.85Å; L810-Y979 HydrophobicContact CD2-CE2 4Å; L810-Y979 HydrophobicContact CD2-CG 4.06Å; L810-Y979 HydrophobicContact CG-CD1 4.44Å; L810-Y979 HydrophobicContact CG-CD2 4.34Å; L810-Y979 HydrophobicContact CG-CG 4.2Å; L810-Y979 VanDerWaalsContact O-CD2 3.3Å; L810-Y979 WeakPolarHBondContact O-CD2 3.35Å; L810-Y979 WeakPolarHBondContact O-CE2 3.5Å
811	Q	98.2	Very high	96.6	Very high	162 Å²	162	48.8 Å²	48.8	76%	0.757	25%	0.248	S	C	*	.	H	α-helix	trans	-59.7	-29.4	172.7	178	175.2	50.1	0	0	112.6	E807	E807-Q811 VanDerWaalsContact O-CB 3.26Å; E807-Q811 WeakPolarHBondContact O-CB 3.27Å; E807-Q811 PolarHBondContact O-N 3.49Å
812	M	97.8	Very high	96.3	Very high	43 Å²	43	50.6 Å²	50.6	21%	0.212	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	5.5	-178.6	-70.1	-171.6	-72	0	0	113.5	I769 D770 R808 F809 L810 N837 W838	I769-M812 HydrophobicContact CG2-CE 4.08Å; D770-M812 VanDerWaalsContact OD1-SD 3.42Å; R808-M812 HydrophobicContact CG-CE 4.16Å; R808-M812 WeakPolarHBondContact O-CE 3.34Å; R808-M812 PolarHBondContact O-N 2.78Å; F809-M812 PolarHBondContact O-N 3.36Å; L810-M812 PolarHBondContact O-N 2.95Å; M812-N837 PolarHBondContact O-ND2 3.46Å; M812-W838 HydrophobicContact CB-CH2 4.22Å; M812-W838 HydrophobicContact CB-CZ2 3.69Å; M812-W838 HydrophobicContact CE-CH2 3.6Å; M812-W838 HydrophobicContact CE-CZ2 3.94Å; M812-W838 HydrophobicContact SD-CH2 4.33Å
813	C	97.6	Very high	96	Very high	15 Å²	15	53 Å²	53	10%	0.101	27%	0.273	C	S	.	.			trans	-68.2	147.2	169.3	-65.6	0	0	0	0	110.7	F809 L810 D815 N837 W838 S945 Y979	F809-C813 PolarHBondContact O-N 3.3Å; L810-C813 WeakPolarHBondContact O-CB 3.49Å; L810-C813 PolarHBondContact O-N 3.43Å; C813-D815 WeakPolarHBondContact CB-OD1 3.41Å; C813-N837 WeakPolarHBondContact CA-OD1 3.18Å; C813-W838 PolarHBondContact SG-NE1 3.09Å; C813-W838 VanDerWaalsContact SG-NE1 3.41Å; C813-S945 WeakPolarHBondContact SG-CB 3.16Å; C813-S945 PolarHBondContact SG-OG 3.25Å; C813-Y979 HydrophobicContact CB-CE2 3.97Å
814	N	94.3	Very high	95.5	Very high	96 Å²	96	61.3 Å²	61.3	51%	0.513	31%	0.312	S	S	.	.			trans	-94.4	14.7	-175	67.9	-31.8	0	0	0	114.7	D835 C836 N837	N814-D835 PolarHBondContact ND2-O 3.45Å; N814-C836 VanDerWaalsContact OD1-CA 3.29Å; N814-C836 WeakPolarHBondContact OD1-CA 3.42Å; N814-N837 HydrophobicContact CB-CB 4.46Å; N814-N837 PolarHBondContact N-OD1 2.9Å; N814-N837 PolarHBondContact OD1-N 2.88Å; N814-N837 PolarHBondContact OD1-OD1 3.39Å; N814-N837 VanDerWaalsContact OD1-OD1 3.1Å
815	D	90.8	Very high	95.1	Very high	38 Å²	38	65.4 Å²	65.4	20%	0.203	33%	0.331	C	S	.	.			trans	-92.4	141.1	178.5	69.2	-49.4	0	0	0	112.5	C813 Y979 R983	C813-D815 WeakPolarHBondContact CB-OD1 3.41Å; D815-Y979 PolarHBondContact OD1-OH 3.33Å; D815-Y979 PolarHBondContact OD2-OH 2.9Å; D815-R983 PolarHBondContact O-NH2 3.28Å; D815-R983 IonicContact OD1-CZ 2.74Å; D815-R983 IonicContact OD1-NE 3.38Å; D815-R983 IonicContact OD1-NH2 3.02Å; D815-R983 PolarHBondContact OD1-NH2 2.8Å; D815-R983 IonicContact OD2-CZ 3.65Å; D815-R983 VanDerWaalsContact OD2-CZ 3.29Å; D815-R983 IonicContact OD2-NE 3.49Å; D815-R983 PolarHBondContact OD2-NE 3.05Å; D815-R983 IonicContact OD2-NH2 3.99Å; D815-R983 PolarHBondContact OD2-NH2 3.2Å
816	D	93.3	Very high	94.5	Very high	86 Å²	86	69.2 Å²	69.2	46%	0.46	36%	0.356	S	S	.	.			trans	-84.1	119.8	-180	-171.4	-29.9	0	0	0	110.6	D818 V819	D816-D818 VanDerWaalsContact C-N 3.25Å; D816-D818 PolarHBondContact O-N 2.8Å; D816-D818 PolarHBondContact OD1-N 3.23Å; D816-V819 HydrophobicContact CB-CB 4.12Å; D816-V819 HydrophobicContact CB-CG2 3.91Å; D816-V819 PolarHBondContact O-N 3.3Å
817	P	95.5	Very high	93.9	Very high	35 Å²	35	73.5 Å²	73.5	23%	0.227	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-17	-178.4	29.5	-36.5	0	0	0	115	P982 R983 T986	P817-P982 HydrophobicContact CB-CB 3.94Å; P817-P982 HydrophobicContact CB-CG 3.89Å; P817-R983 HydrophobicContact CB-CG 3.9Å; P817-T986 WeakPolarHBondContact O-CB 3.17Å; P817-T986 PolarHBondContact O-OG1 3.44Å
818	D	94.7	Very high	93.6	Very high	100 Å²	100	72.2 Å²	72.2	54%	0.535	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-2.5	-177.6	-71.1	-50.1	0	0	0	112.9	D816 R990	D816-D818 VanDerWaalsContact C-N 3.25Å; D816-D818 PolarHBondContact O-N 2.8Å; D816-D818 PolarHBondContact OD1-N 3.23Å; D818-R990 IonicContact OD1-NH2 2.9Å; D818-R990 PolarHBondContact OD1-NH2 2.96Å
819	V	93.6	Very high	93.2	Very high	82 Å²	82	71.8 Å²	71.8	50%	0.497	38%	0.376	S	S	.	.			trans	-105.3	122.9	178.4	178.7	0	0	0	0	110.2	D816 P821	D816-V819 HydrophobicContact CB-CB 4.12Å; D816-V819 HydrophobicContact CB-CG2 3.91Å; D816-V819 PolarHBondContact O-N 3.3Å; V819-P821 WeakPolarHBondContact O-CD 3.39Å
820	L	93.6	Very high	93	Very high	79 Å²	79	72.1 Å²	72.1	41%	0.414	38%	0.378	S	S	.	.			trans	-83.2	118.4	166.9	-172.3	71.2	0	0	0	108	L823 F949 T986	L820-L823 HydrophobicContact CD1-CD1 4.36Å; L820-F949 HydrophobicContact CD1-CB 4.22Å; L820-F949 HydrophobicContact CD1-CD1 3.71Å; L820-F949 HydrophobicContact CD1-CE1 4.45Å; L820-F949 HydrophobicContact CD1-CG 4.23Å; L820-T986 HydrophobicContact CB-CG2 4.22Å
821	P	93.2	Very high	92.8	Very high	41 Å²	41	73.1 Å²	73.1	27%	0.266	38%	0.383	S	S	.	.			trans	-67.5	162.5	177.1	28.1	-33.6	0	0	0	111.2	V819 L823 F828 F949	V819-P821 WeakPolarHBondContact O-CD 3.39Å; P821-L823 HydrophobicContact CG-CD2 3.97Å; P821-L823 WeakPolarHBondContact O-CG 3.45Å; P821-L823 PolarHBondContact O-N 3.2Å; P821-F828 HydrophobicContact CB-CE2 3.69Å; P821-F828 HydrophobicContact CB-CZ 4.26Å; P821-F828 HydrophobicContact CG-CE2 3.7Å; P821-F828 HydrophobicContact CG-CZ 3.73Å; P821-F949 HydrophobicContact CG-CB 4.32Å; P821-F949 HydrophobicContact CG-CD2 3.72Å; P821-F949 HydrophobicContact CG-CE2 4.28Å; P821-F949 HydrophobicContact CG-CG 4.12Å
822	D	92.4	Very high	92.6	Very high	102 Å²	102	66.5 Å²	66.5	55%	0.545	35%	0.352	S	S	.	.			trans	-69.1	97.2	174.7	-173.7	0.9	0	0	0	110.3	Q824 E825	D822-Q824 PolarHBondContact O-N 3.09Å; D822-Q824 VanDerWaalsContact O-N 3.16Å; D822-Q824 WeakPolarHBondContact OD1-CB 3.28Å; D822-Q824 PolarHBondContact OD1-N 3.3Å; D822-E825 HydrophobicContact CB-CB 4.44Å; D822-E825 VanDerWaalsContact O-CB 3.28Å; D822-E825 WeakPolarHBondContact O-CB 3.36Å; D822-E825 PolarHBondContact O-N 2.75Å; D822-E825 VanDerWaalsContact O-N 3.16Å
823	L	91.5	Very high	92.5	Very high	50 Å²	50	64.6 Å²	64.6	26%	0.262	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-7.4	-178.9	-51	-179.1	0	0	0	113.1	L820 P821 F828 F949 D950 L953	L820-L823 HydrophobicContact CD1-CD1 4.36Å; P821-L823 HydrophobicContact CG-CD2 3.97Å; P821-L823 WeakPolarHBondContact O-CG 3.45Å; P821-L823 PolarHBondContact O-N 3.2Å; L823-F828 HydrophobicContact CD2-CE1 4.17Å; L823-F828 HydrophobicContact CD2-CE2 4.47Å; L823-F828 HydrophobicContact CD2-CZ 4Å; L823-F949 HydrophobicContact CD2-CB 3.79Å; L823-D950 HydrophobicContact CD2-CB 4.13Å; L823-L953 HydrophobicContact CD1-CD2 3.8Å
824	Q	89.1	Confident	92.3	Very high	176 Å²	176	65 Å²	65	82%	0.822	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-2.4	176.1	-58.2	-172.4	5.9	0	0	112.6	D822 D826	D822-Q824 PolarHBondContact O-N 3.09Å; D822-Q824 VanDerWaalsContact O-N 3.16Å; D822-Q824 WeakPolarHBondContact OD1-CB 3.28Å; D822-Q824 PolarHBondContact OD1-N 3.3Å; Q824-D826 PolarHBondContact O-N 3.47Å
825	E	89.8	Confident	92.2	Very high	86 Å²	86	64.8 Å²	64.8	40%	0.402	34%	0.341	S	S	.	.	S	Bend	trans	-59.5	132.5	176.5	-171.8	-173.9	-176.7	0	0	111.4	D822 N827 F828 N831	D822-E825 HydrophobicContact CB-CB 4.44Å; D822-E825 VanDerWaalsContact O-CB 3.28Å; D822-E825 WeakPolarHBondContact O-CB 3.36Å; D822-E825 PolarHBondContact O-N 2.75Å; D822-E825 VanDerWaalsContact O-N 3.16Å; E825-N827 PolarHBondContact O-N 3.47Å; E825-F828 HydrophobicContact CB-CB 4.34Å; E825-F828 WeakPolarHBondContact O-CB 3.48Å; E825-F828 PolarHBondContact O-N 2.97Å; E825-F828 VanDerWaalsContact O-N 3.15Å; E825-N831 VanDerWaalsContact CD-ND2 3.31Å; E825-N831 PolarHBondContact OE1-ND2 3.44Å
826	D	85.3	Confident	92.4	Very high	139 Å²	139	63.3 Å²	63.3	74%	0.743	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	128	174.2	-75.9	-26.8	0	0	0	110.4	Q824 F828 N831	Q824-D826 PolarHBondContact O-N 3.47Å; D826-F828 VanDerWaalsContact C-N 3.27Å; D826-F828 PolarHBondContact O-N 3.23Å; D826-N831 PolarHBondContact O-ND2 3.02Å
827	N	87.2	Confident	92.6	Very high	89 Å²	89	60.1 Å²	60.1	48%	0.476	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.5	29.9	-175	-44.6	-64.7	0	0	0	114.3	E825 D829 I830 N831	E825-N827 PolarHBondContact O-N 3.47Å; N827-D829 PolarHBondContact O-N 3.19Å; N827-I830 PolarHBondContact O-N 2.92Å; N827-N831 PolarHBondContact O-N 2.79Å
828	F	91.6	Very high	92.7	Very high	15 Å²	15	58.5 Å²	58.5	7%	0.066	31%	0.306	C	S	.	.	H	α-helix	trans	-41.6	-41.1	175.2	171	-108.2	0	0	0	113.5	P821 L823 E825 D826 I830 N831 Q832 D950	P821-F828 HydrophobicContact CB-CE2 3.69Å; P821-F828 HydrophobicContact CB-CZ 4.26Å; P821-F828 HydrophobicContact CG-CE2 3.7Å; P821-F828 HydrophobicContact CG-CZ 3.73Å; L823-F828 HydrophobicContact CD2-CE1 4.17Å; L823-F828 HydrophobicContact CD2-CE2 4.47Å; L823-F828 HydrophobicContact CD2-CZ 4Å; E825-F828 HydrophobicContact CB-CB 4.34Å; E825-F828 WeakPolarHBondContact O-CB 3.48Å; E825-F828 PolarHBondContact O-N 2.97Å; E825-F828 VanDerWaalsContact O-N 3.15Å; D826-F828 VanDerWaalsContact C-N 3.27Å; D826-F828 PolarHBondContact O-N 3.23Å; F828-I830 PolarHBondContact O-N 3.18Å; F828-N831 PolarHBondContact O-N 3.24Å; F828-Q832 WeakPolarHBondContact O-CG 3.33Å; F828-Q832 PolarHBondContact O-N 3.46Å; F828-Q832 VanDerWaalsContact O-N 3.11Å; F828-D950 HydrophobicContact CD1-CB 4.17Å; F828-D950 HydrophobicContact CE1-CB 3.92Å
829	D	90.6	Very high	92.9	Very high	69 Å²	69	53.7 Å²	53.7	37%	0.369	28%	0.281	S	S	.	.	H	α-helix	trans	-67.2	-32.5	-177.5	69.7	-39.5	0	0	0	114.6	N827 Q832 L833	N827-D829 PolarHBondContact O-N 3.19Å; D829-Q832 WeakPolarHBondContact O-CG 3.37Å; D829-L833 WeakPolarHBondContact O-CD1 3.19Å; D829-L833 WeakPolarHBondContact O-CG 3.5Å
830	I	94.4	Very high	93.1	Very high	10 Å²	10	49.8 Å²	49.8	5%	0.051	26%	0.257	C	S	.	.	H	α-helix	trans	-85.4	-38.2	175.6	-57.4	-56.5	0	0	0	111.2	M613 C615 N827 F828 Q832 L833 Y834 L859 F861	M613-I830 HydrophobicContact CE-CG2 4.11Å; C615-I830 HydrophobicContact CB-CD1 3.64Å; N827-I830 PolarHBondContact O-N 2.92Å; F828-I830 PolarHBondContact O-N 3.18Å; I830-Q832 PolarHBondContact O-N 3.17Å; I830-L833 HydrophobicContact CD1-CD1 4.39Å; I830-L833 WeakPolarHBondContact O-CB 3.03Å; I830-L833 PolarHBondContact O-N 3.28Å; I830-L833 VanDerWaalsContact O-N 3.13Å; I830-Y834 PolarHBondContact O-N 2.8Å; I830-L859 HydrophobicContact CD1-CD2 4.36Å; I830-F861 HydrophobicContact CG2-CE1 3.93Å; I830-F861 HydrophobicContact CG2-CZ 4.4Å
831	N	93.6	Very high	93.4	Very high	23 Å²	23	46 Å²	46	12%	0.123	24%	0.237	C	C	.	.	H	α-helix	trans	-62.2	-46.2	-179.9	-64.4	-8.1	0	0	0	110.8	M613 E825 D826 N827 F828 L833 Y834 D835	M613-N831 WeakPolarHBondContact CE-OD1 3.17Å; E825-N831 VanDerWaalsContact CD-ND2 3.31Å; E825-N831 PolarHBondContact OE1-ND2 3.44Å; D826-N831 PolarHBondContact O-ND2 3.02Å; N827-N831 PolarHBondContact O-N 2.79Å; F828-N831 PolarHBondContact O-N 3.24Å; N831-L833 PolarHBondContact O-N 3.33Å; N831-L833 VanDerWaalsContact O-N 3.17Å; N831-Y834 WeakPolarHBondContact O-CA 3.39Å; N831-Y834 WeakPolarHBondContact O-CB 3.36Å; N831-Y834 PolarHBondContact O-N 2.95Å; N831-D835 PolarHBondContact O-N 3.43Å
832	Q	94.2	Very high	93.6	Very high	22 Å²	22	44.7 Å²	44.7	10%	0.103	23%	0.228	C	C	.	.	H	α-helix	trans	-60.2	-32.6	175.9	70	179.8	-42.4	0	0	113.2	F828 D829 I830 Y834 C836 P946 F947	F828-Q832 WeakPolarHBondContact O-CG 3.33Å; F828-Q832 PolarHBondContact O-N 3.46Å; F828-Q832 VanDerWaalsContact O-N 3.11Å; D829-Q832 WeakPolarHBondContact O-CG 3.37Å; I830-Q832 PolarHBondContact O-N 3.17Å; Q832-Y834 VanDerWaalsContact C-N 3.35Å; Q832-C836 WeakPolarHBondContact O-CB 3.25Å; Q832-C836 PolarHBondContact O-N 3.06Å; Q832-C836 VanDerWaalsContact O-N 3.13Å; Q832-P946 HydrophobicContact CB-CB 3.93Å; Q832-P946 HydrophobicContact CB-CG 4.2Å; Q832-P946 HydrophobicContact CG-CB 3.76Å; Q832-P946 HydrophobicContact CG-CG 4Å; Q832-P946 WeakPolarHBondContact O-CG 3.35Å; Q832-F947 PolarHBondContact OE1-O 2.67Å
833	L	95.8	Very high	93.9	Very high	3 Å²	3	40 Å²	40	2%	0.016	20%	0.203	C	C	.	.	H	α-helix	trans	-70.9	-33.8	175.2	-70.4	170.6	0	0	0	111.2	D829 I830 N831 C836 I839 L859 F861 K863 P946	D829-L833 WeakPolarHBondContact O-CD1 3.19Å; D829-L833 WeakPolarHBondContact O-CG 3.5Å; I830-L833 HydrophobicContact CD1-CD1 4.39Å; I830-L833 WeakPolarHBondContact O-CB 3.03Å; I830-L833 PolarHBondContact O-N 3.28Å; I830-L833 VanDerWaalsContact O-N 3.13Å; N831-L833 PolarHBondContact O-N 3.33Å; N831-L833 VanDerWaalsContact O-N 3.17Å; L833-C836 PolarHBondContact O-SG 3.13Å; L833-I839 HydrophobicContact CD2-CD1 3.72Å; L833-I839 HydrophobicContact CD2-CG1 3.76Å; L833-I839 HydrophobicContact CD2-CG2 4.41Å; L833-L859 HydrophobicContact CD1-CD2 4.2Å; L833-F861 HydrophobicContact CB-CE2 4.09Å; L833-F861 HydrophobicContact CB-CZ 3.72Å; L833-F861 WeakPolarHBondContact O-CE2 3.25Å; L833-K863 WeakPolarHBondContact O-CE 3.48Å; L833-K863 WeakPolarHBondContact O-CG 3.48Å; L833-P946 HydrophobicContact CD2-CG 4.05Å
834	Y	93.8	Very high	94.2	Very high	23 Å²	23	37.6 Å²	37.6	9%	0.09	19%	0.19	C	C	.	.	H	α-helix	trans	-71.3	-35.9	175.7	-179.3	-100.5	0	0	0	112.3	Q609 P610 M613 I830 N831 Q832 F861 K863	Q609-Y834 PolarHBondContact OE1-OH 3.11Å; Q609-Y834 VanDerWaalsContact OE1-OH 3.06Å; P610-Y834 HydrophobicContact CG-CD2 3.85Å; P610-Y834 HydrophobicContact CG-CE2 3.39Å; M613-Y834 HydrophobicContact CE-CG 4.16Å; I830-Y834 PolarHBondContact O-N 2.8Å; N831-Y834 WeakPolarHBondContact O-CA 3.39Å; N831-Y834 WeakPolarHBondContact O-CB 3.36Å; N831-Y834 PolarHBondContact O-N 2.95Å; Q832-Y834 VanDerWaalsContact C-N 3.35Å; Y834-F861 HydrophobicContact CD2-CB 4.1Å; Y834-F861 AromaticContact CD2-CD1 3.59Å; Y834-F861 HydrophobicContact CD2-CD1 3.59Å; Y834-F861 HydrophobicContact CD2-CD2 4.3Å; Y834-F861 HydrophobicContact CD2-CE1 4.02Å; Y834-F861 AromaticContact CD2-CG 3.75Å; Y834-F861 HydrophobicContact CD2-CG 3.75Å; Y834-F861 HydrophobicContact CE2-CB 4.4Å; Y834-F861 HydrophobicContact CG-CD1 4.36Å; Y834-F861 HydrophobicContact CG-CE1 4.35Å; Y834-F861 VanDerWaalsContact N-CZ 3.32Å; Y834-K863 WeakPolarHBondContact O-CE 3.29Å; Y834-K863 PolarHBondContact O-NZ 3.11Å
835	D	92.3	Very high	94.7	Very high	92 Å²	92	30 Å²	30	49%	0.492	16%	0.156	S	C	.	.	H	α-helix	trans	-83.5	-29.2	-175.1	-62.2	-23	0	0	0	113.3	N814 N831	N814-D835 PolarHBondContact ND2-O 3.45Å; N831-D835 PolarHBondContact O-N 3.43Å
836	C	95.5	Very high	95.1	Very high	7 Å²	7	25.9 Å²	25.9	5%	0.047	14%	0.137	C	C	.	.	S	Bend	trans	-66.1	150.1	-178.2	71.8	0	0	0	0	112.6	N814 Q832 L833 W838 K863 P946	N814-C836 VanDerWaalsContact OD1-CA 3.29Å; N814-C836 WeakPolarHBondContact OD1-CA 3.42Å; Q832-C836 WeakPolarHBondContact O-CB 3.25Å; Q832-C836 PolarHBondContact O-N 3.06Å; Q832-C836 VanDerWaalsContact O-N 3.13Å; L833-C836 PolarHBondContact O-SG 3.13Å; C836-W838 PolarHBondContact SG-O 3.09Å; C836-W838 VanDerWaalsContact SG-O 3.38Å; C836-K863 WeakPolarHBondContact O-CD 3.36Å; C836-K863 WeakPolarHBondContact O-CE 3.38Å; C836-K863 PolarHBondContact O-NZ 3.5Å; C836-P946 HydrophobicContact CB-CG 3.69Å
837	N	96.1	Very high	95.7	Very high	20 Å²	20	19.4 Å²	19.4	11%	0.107	10%	0.102	C	C	.	.	S	Bend	trans	-68	-37	174.5	63	-42.3	0	0	0	112.4	C774 M812 C813 N814	C774-N837 PolarHBondContact SG-ND2 2.7Å; M812-N837 PolarHBondContact O-ND2 3.46Å; C813-N837 WeakPolarHBondContact CA-OD1 3.18Å; N814-N837 HydrophobicContact CB-CB 4.46Å; N814-N837 PolarHBondContact N-OD1 2.9Å; N814-N837 PolarHBondContact OD1-N 2.88Å; N814-N837 PolarHBondContact OD1-OD1 3.39Å; N814-N837 VanDerWaalsContact OD1-OD1 3.1Å
838	W	97.9	Very high	96.3	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.081	C	C	.	.			trans	-156.8	168.4	174.9	54.8	29.6	0	0	0	112.7	I769 I773 C774 F809 M812 C813 C836 P864 I866	I769-W838 HydrophobicContact CG2-CH2 3.89Å; I769-W838 HydrophobicContact CG2-CZ3 4.02Å; I773-W838 HydrophobicContact CB-CZ3 4.4Å; I773-W838 HydrophobicContact CG2-CE3 3.9Å; I773-W838 HydrophobicContact CG2-CZ3 4.01Å; C774-W838 HydrophobicContact CB-CE3 3.92Å; C774-W838 HydrophobicContact CB-CH2 3.43Å; C774-W838 VanDerWaalsContact CB-CH2 3.43Å; C774-W838 HydrophobicContact CB-CZ2 4.23Å; C774-W838 HydrophobicContact CB-CZ3 3.25Å; F809-W838 HydrophobicContact CB-CZ2 4.29Å; F809-W838 AromaticContact CD1-CH2 3.95Å; F809-W838 HydrophobicContact CD1-CH2 3.95Å; F809-W838 HydrophobicContact CD1-CZ2 4.03Å; F809-W838 WeakPolarHBondContact O-CZ2 3.46Å; F809-W838 PolarHBondContact O-NE1 3.39Å; M812-W838 HydrophobicContact CB-CH2 4.22Å; M812-W838 HydrophobicContact CB-CZ2 3.69Å; M812-W838 HydrophobicContact CE-CH2 3.6Å; M812-W838 HydrophobicContact CE-CZ2 3.94Å; M812-W838 HydrophobicContact SD-CH2 4.33Å; C813-W838 PolarHBondContact SG-NE1 3.09Å; C813-W838 VanDerWaalsContact SG-NE1 3.41Å; C836-W838 PolarHBondContact SG-O 3.09Å; C836-W838 VanDerWaalsContact SG-O 3.38Å; W838-P864 HydrophobicContact CB-CB 3.99Å; W838-P864 HydrophobicContact CB-CG 4.39Å; W838-P864 WeakPolarHBondContact CB-O 3.24Å; W838-I866 HydrophobicContact CD2-CG1 4.44Å
839	I	98.7	Very high	96.6	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	132.5	179.1	-55.8	166.1	0	0	0	108.8	L833 V841 L859 K863 P864 L865 I866 S945	L833-I839 HydrophobicContact CD2-CD1 3.72Å; L833-I839 HydrophobicContact CD2-CG1 3.76Å; L833-I839 HydrophobicContact CD2-CG2 4.41Å; I839-V841 HydrophobicContact CG2-CG1 3.99Å; I839-L859 HydrophobicContact CD1-CD1 4.32Å; I839-K863 HydrophobicContact CD1-CB 4.1Å; I839-K863 HydrophobicContact CG1-CB 4.21Å; I839-P864 PolarHBondContact N-O 2.7Å; I839-L865 HydrophobicContact CB-CD1 3.83Å; I839-L865 HydrophobicContact CG2-CD1 3.63Å; I839-I866 PolarHBondContact O-N 3.12Å; I839-S945 WeakPolarHBondContact CA-O 3.38Å
840	V	98.9	Very high	97	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	120.3	179.7	-176.5	0	0	0	0	110	L810 I866 F868 L944 S945	L810-V840 HydrophobicContact CD2-CB 4.13Å; L810-V840 HydrophobicContact CD2-CG1 3.9Å; L810-V840 HydrophobicContact CD2-CG2 4.37Å; L810-V840 HydrophobicContact CG-CG1 4.41Å; V840-I866 HydrophobicContact CG2-CB 4.24Å; V840-I866 HydrophobicContact CG2-CG1 4.28Å; V840-F868 HydrophobicContact CG1-CD2 4.4Å; V840-F868 HydrophobicContact CG1-CE2 3.46Å; V840-F868 VanDerWaalsContact CG1-CE2 3.46Å; V840-F868 HydrophobicContact CG1-CZ 4.07Å; V840-L944 PolarHBondContact O-N 3.17Å; V840-S945 PolarHBondContact N-O 3.15Å; V840-S945 PolarHBondContact O-N 3.24Å
841	V	98.9	Very high	97.2	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	150.1	-178	-54.6	0	0	0	0	112.7	I839 V852 L865 I866 V867 F868 F892 E942 Q943	I839-V841 HydrophobicContact CG2-CG1 3.99Å; V841-V852 HydrophobicContact CG1-CG2 4.23Å; V841-V852 HydrophobicContact CG2-CG2 4.32Å; V841-L865 HydrophobicContact CG1-CD1 4.25Å; V841-L865 HydrophobicContact CG2-CD1 4.04Å; V841-I866 PolarHBondContact N-O 2.85Å; V841-V867 HydrophobicContact CG2-CB 4.17Å; V841-V867 HydrophobicContact CG2-CG1 4.03Å; V841-V867 HydrophobicContact CG2-CG2 3.83Å; V841-F868 WeakPolarHBondContact O-CD2 3.28Å; V841-F868 PolarHBondContact O-N 3.11Å; V841-F892 HydrophobicContact CB-CZ 4.5Å; V841-F892 HydrophobicContact CG1-CZ 3.97Å; V841-E942 CarbonylContact C-O 3.54Å; V841-E942 WeakPolarHBondContact CA-O 3.4Å; V841-E942 WeakPolarHBondContact CB-O 3.38Å; V841-Q943 HydrophobicContact CG1-CB 4.11Å; V841-Q943 HydrophobicContact CG1-CG 4.24Å
842	N	98.8	Very high	97.5	Very high	13 Å²	13	10.4 Å²	10.4	7%	0.07	6%	0.055	C	C	.	.			trans	-134.1	88.3	169.6	-175.9	-6.1	0	0	0	108.5	F868 T916 G917 E942 Y976	N842-F868 HydrophobicContact CB-CB 4.11Å; N842-F868 HydrophobicContact CB-CD2 4.08Å; N842-F868 PolarHBondContact OD1-O 3.02Å; N842-T916 WeakPolarHBondContact CB-OG1 3.48Å; N842-G917 VanDerWaalsContact CG-CA 3.44Å; N842-G917 WeakPolarHBondContact OD1-CA 3.39Å; N842-E942 PolarHBondContact N-O 3.12Å; N842-Y976 PolarHBondContact ND2-OH 3.42Å
843	C	98.6	Very high	97.7	Very high	3 Å²	3	9.3 Å²	9.3	2%	0.02	5%	0.05	C	C	.	.			trans	-72.9	132.5	-172.3	-60.7	0	0	0	0	111.7	F849 E942	C843-F849 HydrophobicContact CB-CB 4.28Å; C843-E942 WeakPolarHBondContact CA-OE2 3.18Å
844	S	98.3	Very high	97.8	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.05	C	C	.	.			trans	-100.3	-7.8	176.3	71.2	0	0	0	0	114.4	W664 Y921 R940 E942	W664-S844 WeakPolarHBondContact CH2-O 3.49Å; W664-S844 WeakPolarHBondContact CZ2-O 3.49Å; S844-Y921 PolarHBondContact O-OH 2.9Å; S844-R940 WeakPolarHBondContact OG-CD 3.32Å; S844-R940 PolarHBondContact OG-NH1 2.91Å; S844-E942 WeakPolarHBondContact CB-OE1 3.2Å; S844-E942 PolarHBondContact N-OE1 2.83Å; S844-E942 PolarHBondContact N-OE2 3.34Å; S844-E942 PolarHBondContact OG-OE1 2.94Å
845	T	98.5	Very high	98	Very high	16 Å²	16	9.3 Å²	9.3	10%	0.098	5%	0.049	C	C	.	.	S	Bend	trans	-129.2	152.6	176.7	74.6	0	0	0	0	112.4	G847 N848 F849 I896	T845-G847 VanDerWaalsContact C-N 3.34Å; T845-G847 PolarHBondContact O-N 3Å; T845-N848 PolarHBondContact O-N 3.36Å; T845-N848 WeakPolarHBondContact OG1-CB 3.42Å; T845-N848 PolarHBondContact OG1-N 2.98Å; T845-F849 PolarHBondContact O-N 2.92Å; T845-I896 HydrophobicContact CG2-CD1 4.33Å
846	P	98.6	Very high	98.3	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-61	-40.7	175.1	-14.3	23.1	0	0	0	112.9	V662 W664 A667 N848 F849 F850 T881	V662-P846 HydrophobicContact CG2-CB 3.98Å; W664-P846 HydrophobicContact CD2-CB 4.41Å; W664-P846 HydrophobicContact CD2-CG 4.09Å; W664-P846 HydrophobicContact CE3-CB 4.24Å; W664-P846 HydrophobicContact CE3-CG 3.49Å; W664-P846 VanDerWaalsContact CE3-CG 3.49Å; W664-P846 HydrophobicContact CH2-CG 4.01Å; W664-P846 HydrophobicContact CZ3-CB 4.47Å; W664-P846 HydrophobicContact CZ3-CG 3.4Å; W664-P846 VanDerWaalsContact CZ3-CG 3.4Å; A667-P846 HydrophobicContact CB-CB 3.58Å; A667-P846 WeakPolarHBondContact CB-O 3.06Å; P846-N848 VanDerWaalsContact C-N 3.33Å; P846-N848 PolarHBondContact O-N 3.28Å; P846-F849 WeakPolarHBondContact O-CB 3.44Å; P846-F849 PolarHBondContact O-N 3.41Å; P846-F850 PolarHBondContact O-N 3.38Å; P846-T881 WeakPolarHBondContact CD-OG1 3.45Å
847	G	98.4	Very high	98.3	Very high	2 Å²	2	5.3 Å²	5.3	2%	0.021	3%	0.027	C	C	.	.	H	α-helix	trans	-60.5	-41.4	179.9	0	0	0	0	0	112.9	T845 F849 F850 H851 T881	T845-G847 VanDerWaalsContact C-N 3.34Å; T845-G847 PolarHBondContact O-N 3Å; G847-F849 VanDerWaalsContact C-N 3.34Å; G847-F849 PolarHBondContact O-N 2.96Å; G847-F850 WeakPolarHBondContact O-CB 3.37Å; G847-F850 PolarHBondContact O-N 2.8Å; G847-H851 PolarHBondContact O-CD2 2.86Å; G847-H851 PolarHBondContact O-N 2.93Å; G847-T881 PolarHBondContact N-OG1 3.49Å
848	N	98.4	Very high	98.3	Very high	5 Å²	5	6.3 Å²	6.3	3%	0.027	3%	0.032	C	C	.	.	H	α-helix	trans	-68.6	-36	177.9	-138.6	26.8	0	0	0	111.7	T845 P846 H851 V852 F892 Q893 E942	T845-N848 PolarHBondContact O-N 3.36Å; T845-N848 WeakPolarHBondContact OG1-CB 3.42Å; T845-N848 PolarHBondContact OG1-N 2.98Å; P846-N848 VanDerWaalsContact C-N 3.33Å; P846-N848 PolarHBondContact O-N 3.28Å; N848-H851 PolarHBondContact O-N 3.08Å; N848-V852 PolarHBondContact O-N 2.87Å; N848-F892 HydrophobicContact CB-CD2 4.36Å; N848-F892 HydrophobicContact CB-CE2 4.32Å; N848-F892 VanDerWaalsContact CG-CD2 3.43Å; N848-F892 VanDerWaalsContact CG-CE2 3.41Å; N848-F892 VanDerWaalsContact ND2-CE2 3.25Å; N848-F892 WeakPolarHBondContact ND2-CE2 3.31Å; N848-F892 WeakPolarHBondContact O-CD2 3.47Å; N848-F892 WeakPolarHBondContact OD1-CA 3.14Å; N848-F892 WeakPolarHBondContact OD1-CD2 3.44Å; N848-F892 WeakPolarHBondContact OD1-CE2 3.4Å; N848-Q893 PolarHBondContact ND2-O 2.76Å; N848-Q893 PolarHBondContact OD1-N 2.92Å; N848-E942 VanDerWaalsContact ND2-CB 3.33Å; N848-E942 WeakPolarHBondContact ND2-CB 3.16Å; N848-E942 VanDerWaalsContact ND2-CG 3.25Å; N848-E942 WeakPolarHBondContact ND2-CG 3.44Å; N848-E942 PolarHBondContact ND2-OE2 3.4Å
849	F	98.8	Very high	98.3	Very high	6 Å²	6	6.5 Å²	6.5	3%	0.026	3%	0.033	C	C	.	.	H	α-helix	trans	-63.4	-42.4	171.7	-175.2	-125.7	0	0	0	112.1	E668 L789 C843 T845 P846 G847 H851 V852 L853 V867 T869	E668-F849 HydrophobicContact CB-CD1 4.45Å; E668-F849 HydrophobicContact CB-CE1 3.88Å; E668-F849 HydrophobicContact CG-CE1 3.95Å; L789-F849 HydrophobicContact CD2-CE2 4.09Å; L789-F849 HydrophobicContact CD2-CZ 4.16Å; C843-F849 HydrophobicContact CB-CB 4.28Å; T845-F849 PolarHBondContact O-N 2.92Å; P846-F849 WeakPolarHBondContact O-CB 3.44Å; P846-F849 PolarHBondContact O-N 3.41Å; G847-F849 VanDerWaalsContact C-N 3.34Å; G847-F849 PolarHBondContact O-N 2.96Å; F849-H851 PolarHBondContact O-N 3.16Å; F849-V852 HydrophobicContact CD2-CG1 4.29Å; F849-V852 WeakPolarHBondContact O-CG1 3.38Å; F849-V852 PolarHBondContact O-N 2.82Å; F849-L853 HydrophobicContact CD1-CD1 4.2Å; F849-L853 HydrophobicContact CD2-CD1 4.33Å; F849-L853 HydrophobicContact CD2-CG 4.37Å; F849-L853 HydrophobicContact CE1-CD1 3.83Å; F849-L853 HydrophobicContact CE2-CD1 3.95Å; F849-L853 HydrophobicContact CE2-CD2 4.18Å; F849-L853 HydrophobicContact CE2-CG 4.07Å; F849-L853 HydrophobicContact CG-CD1 4.45Å; F849-L853 HydrophobicContact CZ-CD1 3.7Å; F849-L853 HydrophobicContact CZ-CD2 4.42Å; F849-L853 HydrophobicContact CZ-CG 4.3Å; F849-L853 VanDerWaalsContact O-CG 3.31Å; F849-L853 WeakPolarHBondContact O-CG 3.38Å; F849-L853 PolarHBondContact O-N 3.42Å; F849-V867 HydrophobicContact CD2-CG1 4.15Å; F849-V867 HydrophobicContact CE2-CG1 3.94Å; F849-T869 HydrophobicContact CE2-CG2 4.34Å; F849-T869 HydrophobicContact CZ-CG2 4.45Å
850	F	98.9	Very high	98	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-57	-47.7	172.6	162.6	-90.4	0	0	0	112.1	L620 L625 A667 M670 A671 P846 G847 R854 M886	L620-F850 HydrophobicContact CD1-CE2 3.74Å; L620-F850 HydrophobicContact CD1-CZ 3.5Å; L620-F850 VanDerWaalsContact CD1-CZ 3.5Å; L620-F850 HydrophobicContact CG-CZ 3.86Å; L625-F850 HydrophobicContact CD2-CE2 4.26Å; L625-F850 HydrophobicContact CD2-CZ 4.32Å; A667-F850 HydrophobicContact CB-CB 4.2Å; M670-F850 HydrophobicContact CB-CD2 4.11Å; M670-F850 HydrophobicContact CB-CE2 4.05Å; A671-F850 HydrophobicContact CB-CD2 3.65Å; A671-F850 HydrophobicContact CB-CE2 4.25Å; A671-F850 HydrophobicContact CB-CG 4.35Å; P846-F850 PolarHBondContact O-N 3.38Å; G847-F850 WeakPolarHBondContact O-CB 3.37Å; G847-F850 PolarHBondContact O-N 2.8Å; F850-R854 PolarHBondContact O-N 3.13Å; F850-M886 HydrophobicContact CB-CE 4.11Å; F850-M886 HydrophobicContact CD1-CB 4.34Å; F850-M886 HydrophobicContact CD1-CE 3.8Å; F850-M886 HydrophobicContact CD1-CG 4Å; F850-M886 HydrophobicContact CD1-SD 4.49Å; F850-M886 HydrophobicContact CD2-CE 3.52Å; F850-M886 HydrophobicContact CE1-CB 4.12Å; F850-M886 HydrophobicContact CE1-CE 4.04Å; F850-M886 HydrophobicContact CE1-CG 4.29Å; F850-M886 HydrophobicContact CE2-CE 3.77Å; F850-M886 HydrophobicContact CG-CE 3.54Å; F850-M886 HydrophobicContact CG-SD 4.46Å; F850-M886 HydrophobicContact CZ-CE 4.02Å
851	H	98.9	Very high	97.8	Very high	5 Å²	5	7.4 Å²	7.4	2%	0.023	4%	0.039	C	C	.	.	H	α-helix	trans	-67.3	-41.1	-178.1	-72.1	-53	0	0	0	113.3	T618 G847 N848 F849 L853 R854 R855 E885 T890 F892	T618-H851 WeakPolarHBondContact CB-ND1 3.48Å; T618-H851 PolarHBondContact OG1-ND1 2.71Å; G847-H851 PolarHBondContact O-CD2 2.86Å; G847-H851 PolarHBondContact O-N 2.93Å; N848-H851 PolarHBondContact O-N 3.08Å; F849-H851 PolarHBondContact O-N 3.16Å; H851-L853 VanDerWaalsContact C-N 3.31Å; H851-L853 PolarHBondContact O-N 3.08Å; H851-R854 PolarHBondContact O-N 2.73Å; H851-R855 VanDerWaalsContact O-CB 3.28Å; H851-R855 WeakPolarHBondContact O-CB 3.2Å; H851-R855 PolarHBondContact O-N 2.95Å; H851-E885 PolarHBondContact NE2-O 3.47Å; H851-T890 PolarHBondContact CE1-OG1 3.37Å; H851-F892 HydrophobicContact CB-CB 3.75Å; H851-F892 HydrophobicContact CB-CD2 4.48Å
852	V	98.8	Very high	97.7	Very high	1 Å²	1	7.6 Å²	7.6	1%	0.006	4%	0.04	C	C	.	.	H	α-helix	trans	-67	-35.2	-177.5	76.5	0	0	0	0	112	V841 N848 F849 R855 Q856 L865 F892	V841-V852 HydrophobicContact CG1-CG2 4.23Å; V841-V852 HydrophobicContact CG2-CG2 4.32Å; N848-V852 PolarHBondContact O-N 2.87Å; F849-V852 HydrophobicContact CD2-CG1 4.29Å; F849-V852 WeakPolarHBondContact O-CG1 3.38Å; F849-V852 PolarHBondContact O-N 2.82Å; V852-R855 PolarHBondContact O-N 3.12Å; V852-Q856 PolarHBondContact O-N 3.21Å; V852-Q856 VanDerWaalsContact O-N 3.15Å; V852-L865 HydrophobicContact CG2-CD1 3.97Å; V852-L865 HydrophobicContact CG2-CD2 3.95Å; V852-F892 HydrophobicContact CB-CD2 3.6Å; V852-F892 HydrophobicContact CB-CE2 3.77Å; V852-F892 HydrophobicContact CB-CG 4.32Å; V852-F892 HydrophobicContact CG2-CD2 4.13Å; V852-F892 HydrophobicContact CG2-CE2 4.07Å; V852-F892 HydrophobicContact CG2-CZ 4.47Å
853	L	98.8	Very high	97.6	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-65.5	-42.6	174.6	-68.7	173.7	0	0	0	112.1	E668 A671 F672 L753 V787 F849 H851 Q856	E668-L853 HydrophobicContact CG-CD1 4.46Å; A671-L853 HydrophobicContact CB-CB 4.05Å; A671-L853 HydrophobicContact CB-CD1 3.99Å; F672-L853 HydrophobicContact CD1-CD1 4.47Å; F672-L853 HydrophobicContact CE1-CD1 3.81Å; F672-L853 HydrophobicContact CE1-CD2 4.44Å; L753-L853 HydrophobicContact CD2-CD2 3.87Å; V787-L853 HydrophobicContact CG1-CD2 4.36Å; F849-L853 HydrophobicContact CD1-CD1 4.2Å; F849-L853 HydrophobicContact CD2-CD1 4.33Å; F849-L853 HydrophobicContact CD2-CG 4.37Å; F849-L853 HydrophobicContact CE1-CD1 3.83Å; F849-L853 HydrophobicContact CE2-CD1 3.95Å; F849-L853 HydrophobicContact CE2-CD2 4.18Å; F849-L853 HydrophobicContact CE2-CG 4.07Å; F849-L853 HydrophobicContact CG-CD1 4.45Å; F849-L853 HydrophobicContact CZ-CD1 3.7Å; F849-L853 HydrophobicContact CZ-CD2 4.42Å; F849-L853 HydrophobicContact CZ-CG 4.3Å; F849-L853 VanDerWaalsContact O-CG 3.31Å; F849-L853 WeakPolarHBondContact O-CG 3.38Å; F849-L853 PolarHBondContact O-N 3.42Å; H851-L853 VanDerWaalsContact C-N 3.31Å; H851-L853 PolarHBondContact O-N 3.08Å; L853-Q856 WeakPolarHBondContact O-CB 3.42Å
854	R	98.6	Very high	97.6	Very high	7 Å²	7	7.4 Å²	7.4	3%	0.026	4%	0.039	C	C	.	.	H	α-helix	trans	-70.1	-39.7	175.6	-72.3	-179.5	57.2	68.3	5.8	112	T618 A671 S674 L675 E678 F850 H851 Q856 I857 L858	T618-R854 HydrophobicContact CG2-CB 4.09Å; T618-R854 WeakPolarHBondContact O-CD 3.35Å; T618-R854 PolarHBondContact O-NE 2.93Å; A671-R854 HydrophobicContact CB-CG 4.31Å; S674-R854 PolarHBondContact OG-NH1 3.28Å; L675-R854 HydrophobicContact CG-CG 4.41Å; E678-R854 IonicContact OE1-CZ 3.74Å; E678-R854 VanDerWaalsContact OE1-CZ 3.27Å; E678-R854 IonicContact OE1-NH1 2.69Å; E678-R854 PolarHBondContact OE1-NH1 2.81Å; E678-R854 IonicContact OE1-NH2 3.05Å; E678-R854 PolarHBondContact OE1-NH2 2.75Å; E678-R854 IonicContact OE2-NH1 3.13Å; E678-R854 IonicContact OE2-NH2 2.62Å; F850-R854 PolarHBondContact O-N 3.13Å; H851-R854 PolarHBondContact O-N 2.73Å; R854-Q856 PolarHBondContact O-N 2.89Å; R854-I857 PolarHBondContact O-N 3.26Å; R854-I857 VanDerWaalsContact O-N 3.08Å; R854-L858 WeakPolarHBondContact O-CG 3.45Å; R854-L858 PolarHBondContact O-N 2.81Å; R854-L858 VanDerWaalsContact O-N 3.09Å
855	R	98.3	Very high	97.7	Very high	19 Å²	19	7.4 Å²	7.4	7%	0.072	4%	0.039	C	C	.	.	H	α-helix	trans	-54.6	-39.6	175.9	-174.9	174.8	67.9	164.7	1.5	111.2	T618 H851 V852 I857 L858 L859 F892	T618-R855 HydrophobicContact CG2-CB 4Å; H851-R855 VanDerWaalsContact O-CB 3.28Å; H851-R855 WeakPolarHBondContact O-CB 3.2Å; H851-R855 PolarHBondContact O-N 2.95Å; V852-R855 PolarHBondContact O-N 3.12Å; R855-I857 PolarHBondContact O-N 3.03Å; R855-I857 VanDerWaalsContact O-N 3.11Å; R855-L858 PolarHBondContact O-N 3.13Å; R855-L859 HydrophobicContact CG-CD1 4.19Å; R855-L859 HydrophobicContact CG-CG 4.08Å; R855-L859 VanDerWaalsContact O-CG 3.25Å; R855-L859 WeakPolarHBondContact O-CG 3.34Å; R855-L859 PolarHBondContact O-N 2.58Å; R855-F892 VanDerWaalsContact NH1-CD1 3.26Å
856	Q	97.3	Very high	97.7	Very high	3 Å²	3	6.7 Å²	6.7	1%	0.014	3%	0.034	C	C	.	.	H	α-helix	trans	-52.8	-34.2	178.7	-171.2	60.7	12.7	0	0	113.8	L751 G785 V787 V852 L853 R854 K863 L865	L751-Q856 HydrophobicContact CD1-CB 4.05Å; L751-Q856 HydrophobicContact CD1-CG 3.83Å; G785-Q856 PolarHBondContact O-NE2 2.92Å; V787-Q856 HydrophobicContact CG2-CG 3.95Å; V852-Q856 PolarHBondContact O-N 3.21Å; V852-Q856 VanDerWaalsContact O-N 3.15Å; L853-Q856 WeakPolarHBondContact O-CB 3.42Å; R854-Q856 PolarHBondContact O-N 2.89Å; Q856-K863 PolarHBondContact NE2-O 3.2Å; Q856-L865 HydrophobicContact CB-CD2 4.49Å
857	I	96.9	Very high	97.7	Very high	12 Å²	12	6.8 Å²	6.8	6%	0.062	4%	0.035	C	C	.	.	H	α-helix	trans	-92.2	-38.6	179.5	-61.5	-59.3	0	0	0	112.2	L675 I680 L751 R854 R855 L859 R862	L675-I857 HydrophobicContact CD1-CG1 3.99Å; L675-I857 HydrophobicContact CD2-CB 3.97Å; L675-I857 HydrophobicContact CD2-CG1 4.08Å; L675-I857 HydrophobicContact CD2-CG2 4.1Å; I680-I857 HydrophobicContact CD1-CG2 3.86Å; I680-I857 HydrophobicContact CG1-CG2 3.91Å; I680-I857 HydrophobicContact CG2-CD1 4.06Å; I680-I857 HydrophobicContact CG2-CG1 4.1Å; I680-I857 HydrophobicContact CG2-CG2 4.06Å; L751-I857 HydrophobicContact CB-CD1 3.9Å; L751-I857 HydrophobicContact CB-CG1 4.13Å; L751-I857 HydrophobicContact CD1-CD1 4.21Å; L751-I857 HydrophobicContact CD1-CG1 4.23Å; R854-I857 PolarHBondContact O-N 3.26Å; R854-I857 VanDerWaalsContact O-N 3.08Å; R855-I857 PolarHBondContact O-N 3.03Å; R855-I857 VanDerWaalsContact O-N 3.11Å; I857-L859 VanDerWaalsContact C-N 3.26Å; I857-L859 PolarHBondContact O-N 2.88Å; I857-R862 PolarHBondContact O-NH1 3.44Å; I857-R862 PolarHBondContact O-NH2 3.24Å
858	L	96.2	Very high	97.7	Very high	41 Å²	41	6.7 Å²	6.7	22%	0.215	3%	0.034	C	C	.	.	H	α-helix	trans	-74.8	-14.5	-177	-64.7	179.1	0	0	0	113.7	P616 T618 R854 R855	P616-L858 HydrophobicContact CG-CB 4.07Å; P616-L858 HydrophobicContact CG-CD1 4.27Å; P616-L858 HydrophobicContact CG-CD2 4.25Å; P616-L858 HydrophobicContact CG-CG 4.43Å; T618-L858 HydrophobicContact CG2-CD1 3.92Å; R854-L858 WeakPolarHBondContact O-CG 3.45Å; R854-L858 PolarHBondContact O-N 2.81Å; R854-L858 VanDerWaalsContact O-N 3.09Å; R855-L858 PolarHBondContact O-N 3.13Å
859	L	96.1	Very high	97.7	Very high	4 Å²	4	7 Å²	7	2%	0.021	4%	0.036	C	C	.	.	S	Bend	trans	-61	145.3	169.4	-77.2	167.8	0	0	0	110.9	C615 I830 L833 I839 R855 I857 F861 R862	C615-L859 HydrophobicContact CB-CD2 4.29Å; I830-L859 HydrophobicContact CD1-CD2 4.36Å; L833-L859 HydrophobicContact CD1-CD2 4.2Å; I839-L859 HydrophobicContact CD1-CD1 4.32Å; R855-L859 HydrophobicContact CG-CD1 4.19Å; R855-L859 HydrophobicContact CG-CG 4.08Å; R855-L859 VanDerWaalsContact O-CG 3.25Å; R855-L859 WeakPolarHBondContact O-CG 3.34Å; R855-L859 PolarHBondContact O-N 2.58Å; I857-L859 VanDerWaalsContact C-N 3.26Å; I857-L859 PolarHBondContact O-N 2.88Å; L859-F861 WeakPolarHBondContact CB-O 3.47Å; L859-F861 HydrophobicContact CD1-CE2 4.22Å; L859-F861 HydrophobicContact CD2-CE1 4.26Å; L859-F861 HydrophobicContact CD2-CE2 4.34Å; L859-F861 HydrophobicContact CD2-CZ 3.88Å; L859-F861 PolarHBondContact O-N 3.23Å; L859-R862 PolarHBondContact O-NH1 3.07Å
860	P	93.9	Very high	97.7	Very high	18 Å²	18	7.3 Å²	7.3	12%	0.117	4%	0.038	C	C	.	.	S	Bend	trans	-80.5	6.3	178.6	31.6	-32.3	0	0	0	113.4	P610 S612	P610-P860 HydrophobicContact CB-CB 4.25Å; S612-P860 VanDerWaalsContact O-CB 3.26Å; S612-P860 WeakPolarHBondContact O-CB 3.42Å; S612-P860 WeakPolarHBondContact O-CG 3.48Å
861	F	94.8	Very high	97.6	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.04	C	C	.	.	S	Bend	trans	-145.2	174.9	177.9	54	-97.8	0	0	0	109.3	P610 Q783 I830 L833 Y834 L859 K863	P610-F861 HydrophobicContact CG-CB 4.38Å; P610-F861 HydrophobicContact CG-CD1 4.36Å; Q783-F861 VanDerWaalsContact OE1-CB 3.3Å; I830-F861 HydrophobicContact CG2-CE1 3.93Å; I830-F861 HydrophobicContact CG2-CZ 4.4Å; L833-F861 HydrophobicContact CB-CE2 4.09Å; L833-F861 HydrophobicContact CB-CZ 3.72Å; L833-F861 WeakPolarHBondContact O-CE2 3.25Å; Y834-F861 HydrophobicContact CD2-CB 4.1Å; Y834-F861 AromaticContact CD2-CD1 3.59Å; Y834-F861 HydrophobicContact CD2-CD1 3.59Å; Y834-F861 HydrophobicContact CD2-CD2 4.3Å; Y834-F861 HydrophobicContact CD2-CE1 4.02Å; Y834-F861 AromaticContact CD2-CG 3.75Å; Y834-F861 HydrophobicContact CD2-CG 3.75Å; Y834-F861 HydrophobicContact CE2-CB 4.4Å; Y834-F861 HydrophobicContact CG-CD1 4.36Å; Y834-F861 HydrophobicContact CG-CE1 4.35Å; Y834-F861 VanDerWaalsContact N-CZ 3.32Å; L859-F861 WeakPolarHBondContact CB-O 3.47Å; L859-F861 HydrophobicContact CD1-CE2 4.22Å; L859-F861 HydrophobicContact CD2-CE1 4.26Å; L859-F861 HydrophobicContact CD2-CE2 4.34Å; L859-F861 HydrophobicContact CD2-CZ 3.88Å; L859-F861 PolarHBondContact O-N 3.23Å; F861-K863 HydrophobicContact CD2-CG 3.96Å; F861-K863 HydrophobicContact CE2-CG 3.92Å
862	R	96	Very high	97.5	Very high	5 Å²	5	9.7 Å²	9.7	2%	0.019	6%	0.055	C	C	.	.			trans	-123.8	129.8	178.1	-63.4	-66.8	174.3	-94.9	2.6	111.6	W600 P748 Q783 N784 I857 L859	W600-R862 HydrophobicContact CH2-CB 3.85Å; W600-R862 HydrophobicContact CH2-CG 3.75Å; W600-R862 HydrophobicContact CZ3-CB 3.96Å; W600-R862 HydrophobicContact CZ3-CG 3.75Å; P748-R862 HydrophobicContact CB-CG 4.41Å; P748-R862 PolarHBondContact O-NE 2.95Å; P748-R862 PolarHBondContact O-NH2 3.37Å; Q783-R862 HydrophobicContact CB-CB 4.28Å; Q783-R862 WeakPolarHBondContact CB-O 3.32Å; N784-R862 CarbonylContact O-C 3.57Å; I857-R862 PolarHBondContact O-NH1 3.44Å; I857-R862 PolarHBondContact O-NH2 3.24Å; L859-R862 PolarHBondContact O-NH1 3.07Å
863	K	97.2	Very high	97.4	Very high	4 Å²	4	9.8 Å²	9.8	2%	0.017	6%	0.055	C	C	.	.			trans	-128.7	145.4	172.3	-66.7	-65	-176.7	167.9	0	109.5	Q777 N784 L833 Y834 C836 I839 Q856 F861	Q777-K863 VanDerWaalsContact CD-NZ 3.33Å; N784-K863 CarbonylContact O-C 3.5Å; N784-K863 VanDerWaalsContact O-CA 3.31Å; N784-K863 WeakPolarHBondContact O-CA 3.48Å; N784-K863 PolarHBondContact O-N 3.06Å; L833-K863 WeakPolarHBondContact O-CE 3.48Å; L833-K863 WeakPolarHBondContact O-CG 3.48Å; Y834-K863 WeakPolarHBondContact O-CE 3.29Å; Y834-K863 PolarHBondContact O-NZ 3.11Å; C836-K863 WeakPolarHBondContact O-CD 3.36Å; C836-K863 WeakPolarHBondContact O-CE 3.38Å; C836-K863 PolarHBondContact O-NZ 3.5Å; I839-K863 HydrophobicContact CD1-CB 4.1Å; I839-K863 HydrophobicContact CG1-CB 4.21Å; Q856-K863 PolarHBondContact NE2-O 3.2Å; F861-K863 HydrophobicContact CD2-CG 3.96Å; F861-K863 HydrophobicContact CE2-CG 3.92Å
864	P	98.7	Very high	97.4	Very high	8 Å²	8	10.3 Å²	10.3	5%	0.052	6%	0.058	C	C	.	.			trans	-57.7	142.8	169.1	-23.3	34	0	0	0	111.1	I773 N784 I786 W838 I839	I773-P864 HydrophobicContact CG2-CB 3.52Å; I773-P864 HydrophobicContact CG2-CG 3.7Å; N784-P864 WeakPolarHBondContact O-CD 3.27Å; N784-P864 VanDerWaalsContact O-N 3.1Å; I786-P864 HydrophobicContact CG2-CB 4.12Å; I786-P864 HydrophobicContact CG2-CG 4.49Å; I786-P864 WeakPolarHBondContact O-CA 3.47Å; W838-P864 HydrophobicContact CB-CB 3.99Å; W838-P864 HydrophobicContact CB-CG 4.39Å; W838-P864 WeakPolarHBondContact CB-O 3.24Å; I839-P864 PolarHBondContact N-O 2.7Å
865	L	98.9	Very high	97.2	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	116.4	178.4	174.6	64.4	0	0	0	109.8	I786 V787 L788 I839 V841 V852 Q856 V867	I786-L865 PolarHBondContact O-N 3.44Å; V787-L865 CarbonylContact C-O 3.52Å; V787-L865 WeakPolarHBondContact CA-O 3.49Å; V787-L865 HydrophobicContact CG1-CB 4.36Å; V787-L865 HydrophobicContact CG1-CD2 4.03Å; V787-L865 HydrophobicContact CG1-CG 4.23Å; V787-L865 HydrophobicContact CG2-CB 4.23Å; V787-L865 HydrophobicContact CG2-CD2 4.2Å; L788-L865 PolarHBondContact N-O 3.2Å; I839-L865 HydrophobicContact CB-CD1 3.83Å; I839-L865 HydrophobicContact CG2-CD1 3.63Å; V841-L865 HydrophobicContact CG1-CD1 4.25Å; V841-L865 HydrophobicContact CG2-CD1 4.04Å; V852-L865 HydrophobicContact CG2-CD1 3.97Å; V852-L865 HydrophobicContact CG2-CD2 3.95Å; Q856-L865 HydrophobicContact CB-CD2 4.49Å; L865-V867 HydrophobicContact CD1-CG2 4.3Å; L865-V867 HydrophobicContact CD2-CG2 3.97Å; L865-V867 HydrophobicContact CG-CG2 3.75Å
866	I	98.9	Very high	97.1	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	116.2	176.1	-46.2	-56.4	0	0	0	108.4	L788 L790 F809 W838 I839 V840 V841 F868	L788-I866 HydrophobicContact CB-CD1 4Å; L788-I866 HydrophobicContact CD1-CD1 4.33Å; L788-I866 HydrophobicContact CD2-CD1 3.84Å; L788-I866 HydrophobicContact CG-CD1 4.26Å; L790-I866 HydrophobicContact CD1-CG2 3.88Å; F809-I866 HydrophobicContact CD1-CD1 4.06Å; F809-I866 HydrophobicContact CD1-CG1 3.92Å; F809-I866 HydrophobicContact CD1-CG2 3.9Å; F809-I866 HydrophobicContact CD2-CG2 4.32Å; F809-I866 HydrophobicContact CE1-CD1 3.97Å; F809-I866 HydrophobicContact CE1-CG1 4.31Å; F809-I866 HydrophobicContact CE1-CG2 4.08Å; F809-I866 HydrophobicContact CE2-CG2 4.49Å; F809-I866 HydrophobicContact CG-CG2 4.02Å; F809-I866 HydrophobicContact CZ-CG2 4.38Å; W838-I866 HydrophobicContact CD2-CG1 4.44Å; I839-I866 PolarHBondContact O-N 3.12Å; V840-I866 HydrophobicContact CG2-CB 4.24Å; V840-I866 HydrophobicContact CG2-CG1 4.28Å; V841-I866 PolarHBondContact N-O 2.85Å; I866-F868 HydrophobicContact CG2-CE1 4.17Å; I866-F868 HydrophobicContact CG2-CZ 3.97Å
867	V	98.9	Very high	97	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.012	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	117.1	-179.9	-170.5	0	0	0	0	109.7	V787 L788 L789 L790 V841 F849 L865 T869	V787-V867 HydrophobicContact CG1-CG2 4.01Å; L788-V867 PolarHBondContact O-N 2.79Å; L789-V867 HydrophobicContact CD2-CB 4.01Å; L789-V867 HydrophobicContact CD2-CG2 4.12Å; L790-V867 PolarHBondContact N-O 3.27Å; V841-V867 HydrophobicContact CG2-CB 4.17Å; V841-V867 HydrophobicContact CG2-CG1 4.03Å; V841-V867 HydrophobicContact CG2-CG2 3.83Å; F849-V867 HydrophobicContact CD2-CG1 4.15Å; F849-V867 HydrophobicContact CE2-CG1 3.94Å; L865-V867 HydrophobicContact CD1-CG2 4.3Å; L865-V867 HydrophobicContact CD2-CG2 3.97Å; L865-V867 HydrophobicContact CG-CG2 3.75Å; V867-T869 HydrophobicContact CB-CG2 4.24Å; V867-T869 HydrophobicContact CG1-CG2 3.77Å; V867-T869 PolarHBondContact O-N 3.17Å; V867-T869 VanDerWaalsContact O-N 3.09Å
868	F	98.9	Very high	96.9	Very high	1 Å²	1	29.1 Å²	29.1	0%	0.004	15%	0.148	C	C	.	.			trans	-78.8	91.7	167.5	-57.1	-61.1	0	0	0	108.9	L790 H792 A804 P806 F809 V840 V841 N842 I866 Y976	L790-F868 HydrophobicContact CB-CD1 4.25Å; L790-F868 HydrophobicContact CD1-CD1 4.44Å; L790-F868 HydrophobicContact CD1-CE1 4.08Å; L790-F868 CarbonylContact O-C 3.57Å; L790-F868 WeakPolarHBondContact O-CA 3.27Å; H792-F868 HydrophobicContact CB-CB 3.94Å; H792-F868 HydrophobicContact CB-CD1 4.45Å; A804-F868 HydrophobicContact CB-CD1 3.52Å; A804-F868 HydrophobicContact CB-CE1 3.73Å; P806-F868 HydrophobicContact CB-CD1 4.44Å; P806-F868 HydrophobicContact CB-CD2 4.18Å; P806-F868 HydrophobicContact CB-CE1 3.83Å; P806-F868 HydrophobicContact CB-CE2 3.51Å; P806-F868 HydrophobicContact CB-CZ 3.34Å; F809-F868 HydrophobicContact CB-CZ 4.5Å; F809-F868 HydrophobicContact CD2-CE1 4.12Å; F809-F868 HydrophobicContact CD2-CZ 4.04Å; F809-F868 HydrophobicContact CE2-CE1 4.42Å; F809-F868 HydrophobicContact CG-CZ 4.49Å; V840-F868 HydrophobicContact CG1-CD2 4.4Å; V840-F868 HydrophobicContact CG1-CE2 3.46Å; V840-F868 VanDerWaalsContact CG1-CE2 3.46Å; V840-F868 HydrophobicContact CG1-CZ 4.07Å; V841-F868 WeakPolarHBondContact O-CD2 3.28Å; V841-F868 PolarHBondContact O-N 3.11Å; N842-F868 HydrophobicContact CB-CB 4.11Å; N842-F868 HydrophobicContact CB-CD2 4.08Å; N842-F868 PolarHBondContact OD1-O 3.02Å; I866-F868 HydrophobicContact CG2-CE1 4.17Å; I866-F868 HydrophobicContact CG2-CZ 3.97Å; F868-Y976 HydrophobicContact CD2-CE1 4.34Å; F868-Y976 HydrophobicContact CE2-CE1 4.23Å
869	T	98.6	Very high	96.9	Very high	11 Å²	11	27.2 Å²	27.2	7%	0.067	14%	0.138	C	C	.	.			trans	-76	150	-176	53.5	0	0	0	0	110.9	L789 L790 P791 H792 F849 V867	L789-T869 HydrophobicContact CB-CG2 3.88Å; L789-T869 HydrophobicContact CD2-CG2 3.83Å; L789-T869 HydrophobicContact CG-CG2 4.36Å; L790-T869 VanDerWaalsContact C-OG1 3.3Å; L790-T869 PolarHBondContact O-N 3.31Å; P791-T869 CarbonylContact C-O 3.58Å; P791-T869 VanDerWaalsContact CA-O 3.27Å; P791-T869 WeakPolarHBondContact CA-O 3.43Å; P791-T869 WeakPolarHBondContact CA-OG1 3.42Å; P791-T869 VanDerWaalsContact N-OG1 3.16Å; H792-T869 PolarHBondContact N-O 2.78Å; F849-T869 HydrophobicContact CE2-CG2 4.34Å; F849-T869 HydrophobicContact CZ-CG2 4.45Å; V867-T869 HydrophobicContact CB-CG2 4.24Å; V867-T869 HydrophobicContact CG1-CG2 3.77Å; V867-T869 PolarHBondContact O-N 3.17Å; V867-T869 VanDerWaalsContact O-N 3.09Å
870	P	97.4	Very high	96.9	Very high	12 Å²	12	33.1 Å²	33.1	8%	0.078	16%	0.16	C	C	.	.			trans	-84.3	167.2	-176.2	34	-36.2	0	0	0	113	W664 L873 L874	W664-P870 VanDerWaalsContact CD1-CG 3.48Å; W664-P870 HydrophobicContact CD2-CG 4.19Å; W664-P870 HydrophobicContact CG-CG 4.09Å; W664-P870 HydrophobicContact CZ2-CG 4.35Å; P870-L873 HydrophobicContact CB-CB 3.59Å; P870-L873 HydrophobicContact CB-CD1 4Å; P870-L873 HydrophobicContact CB-CG 3.87Å; P870-L873 HydrophobicContact CG-CB 3.99Å; P870-L874 HydrophobicContact CG-CD2 4.11Å; P870-L874 HydrophobicContact CG-CG 4.46Å
871	K	97.9	Very high	97.1	Very high	8 Å²	8	32.3 Å²	32.3	4%	0.035	16%	0.155	C	C	.	.	S	Bend	trans	-114.1	-65.3	171.5	-57.6	176.4	-65.3	-157.2	0	111.1	F694 F758 P791 G793 E795 H801 L873 L874	F694-K871 HydrophobicContact CE1-CB 4.11Å; F694-K871 HydrophobicContact CE1-CD 4.03Å; F694-K871 HydrophobicContact CE1-CG 3.86Å; F694-K871 HydrophobicContact CE2-CG 4.04Å; F694-K871 HydrophobicContact CZ-CB 4.22Å; F694-K871 HydrophobicContact CZ-CD 3.81Å; F694-K871 HydrophobicContact CZ-CG 3.52Å; F758-K871 HydrophobicContact CD1-CD 3.97Å; F758-K871 HydrophobicContact CE1-CD 3.71Å; P791-K871 HydrophobicContact CB-CD 4.35Å; P791-K871 HydrophobicContact CB-CG 4.03Å; G793-K871 WeakPolarHBondContact O-CE 3.36Å; G793-K871 PolarHBondContact O-NZ 2.97Å; E795-K871 WeakPolarHBondContact OE2-CB 3.47Å; H801-K871 PolarHBondContact O-NZ 3.05Å; K871-L873 PolarHBondContact O-N 2.92Å; K871-L874 WeakPolarHBondContact O-CB 3.44Å; K871-L874 WeakPolarHBondContact O-CD1 3.46Å; K871-L874 VanDerWaalsContact O-CG 3.28Å; K871-L874 WeakPolarHBondContact O-CG 3.4Å; K871-L874 PolarHBondContact O-N 2.65Å
872	S	96.6	Very high	97.3	Very high	48 Å²	48	35.1 Å²	35.1	34%	0.336	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-65.6	-36	176.6	53	0	0	0	0	113.7	E795 L874 R875 H876	E795-S872 WeakPolarHBondContact OE1-CB 3.49Å; E795-S872 PolarHBondContact OE1-N 3.42Å; E795-S872 PolarHBondContact OE1-OG 2.99Å; S872-L874 PolarHBondContact O-N 3.34Å; S872-L874 VanDerWaalsContact O-N 3.15Å; S872-R875 PolarHBondContact O-N 2.53Å; S872-H876 PolarHBondContact O-N 3.21Å
873	L	97.5	Very high	97.4	Very high	3 Å²	3	35 Å²	35	2%	0.016	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-64.9	-20	-178.6	-52.9	-175.5	0	0	0	113.6	W664 P870 K871 R875 H876 A879 K918 Y921	W664-L873 HydrophobicContact CE3-CB 4.45Å; W664-L873 HydrophobicContact CH2-CB 3.96Å; W664-L873 HydrophobicContact CH2-CD1 4.17Å; W664-L873 HydrophobicContact CZ2-CB 4.06Å; W664-L873 HydrophobicContact CZ2-CD1 4.01Å; W664-L873 HydrophobicContact CZ3-CB 4.17Å; P870-L873 HydrophobicContact CB-CB 3.59Å; P870-L873 HydrophobicContact CB-CD1 4Å; P870-L873 HydrophobicContact CB-CG 3.87Å; P870-L873 HydrophobicContact CG-CB 3.99Å; K871-L873 PolarHBondContact O-N 2.92Å; L873-R875 PolarHBondContact O-N 2.89Å; L873-H876 HydrophobicContact CD2-CB 4.13Å; L873-H876 PolarHBondContact O-N 3.39Å; L873-H876 VanDerWaalsContact O-N 3.17Å; L873-A879 HydrophobicContact CB-CB 4.24Å; L873-A879 HydrophobicContact CD2-CB 4.4Å; L873-K918 HydrophobicContact CD1-CB 3.9Å; L873-K918 HydrophobicContact CD2-CB 4.06Å; L873-K918 HydrophobicContact CG-CB 3.92Å; L873-Y921 HydrophobicContact CD1-CD2 4.18Å; L873-Y921 HydrophobicContact CD1-CE2 3.77Å; L873-Y921 HydrophobicContact CD2-CD2 3.43Å; L873-Y921 VanDerWaalsContact CD2-CD2 3.43Å; L873-Y921 HydrophobicContact CD2-CE2 3.6Å; L873-Y921 HydrophobicContact CD2-CG 4.16Å; L873-Y921 HydrophobicContact CG-CD2 4.46Å; L873-Y921 HydrophobicContact CG-CE2 4.32Å
874	L	97.8	Very high	97.5	Very high	11 Å²	11	39 Å²	39	6%	0.058	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-53.7	-23.1	175.7	-61.9	175.5	0	0	0	113.1	W664 F694 H696 P870 K871 S872	W664-L874 HydrophobicContact CB-CD2 3.66Å; W664-L874 HydrophobicContact CG-CD2 3.97Å; F694-L874 HydrophobicContact CB-CD1 3.65Å; F694-L874 HydrophobicContact CD2-CD1 3.64Å; F694-L874 HydrophobicContact CG-CD1 3.78Å; H696-L874 HydrophobicContact CB-CB 4.5Å; H696-L874 HydrophobicContact CB-CD1 4.21Å; P870-L874 HydrophobicContact CG-CD2 4.11Å; P870-L874 HydrophobicContact CG-CG 4.46Å; K871-L874 WeakPolarHBondContact O-CB 3.44Å; K871-L874 WeakPolarHBondContact O-CD1 3.46Å; K871-L874 VanDerWaalsContact O-CG 3.28Å; K871-L874 WeakPolarHBondContact O-CG 3.4Å; K871-L874 PolarHBondContact O-N 2.65Å; S872-L874 PolarHBondContact O-N 3.34Å; S872-L874 VanDerWaalsContact O-N 3.15Å
875	R	95.3	Very high	97.4	Very high	161 Å²	161	42.8 Å²	42.8	61%	0.608	21%	0.208	S	C	*	.	G	3₁₀ helix	trans	-132	8.1	178.9	-59.3	-176.1	-179	99.7	-0.8	113.7	F694 S695 S872 L873	F694-R875 PolarHBondContact O-NH1 3.19Å; F694-R875 PolarHBondContact O-NH2 3.26Å; S695-R875 PolarHBondContact O-NH2 2.72Å; S872-R875 PolarHBondContact O-N 2.53Å; L873-R875 PolarHBondContact O-N 2.89Å
876	H	96.1	Very high	97.4	Very high	51 Å²	51	42.8 Å²	42.8	24%	0.236	21%	0.208	C	C	.	.			trans	-71.7	129.7	-174.1	-172.8	-80.3	0	0	0	110.2	S872 L873 E878 A879 Y921	S872-H876 PolarHBondContact O-N 3.21Å; L873-H876 HydrophobicContact CD2-CB 4.13Å; L873-H876 PolarHBondContact O-N 3.39Å; L873-H876 VanDerWaalsContact O-N 3.17Å; H876-E878 VanDerWaalsContact C-N 3.34Å; H876-E878 IonicContact CE1-OE2 3.86Å; H876-E878 PolarHBondContact ND1-N 3.11Å; H876-E878 PolarHBondContact O-N 3.38Å; H876-A879 HydrophobicContact CB-CB 3.66Å; H876-A879 WeakPolarHBondContact O-CA 3.48Å; H876-A879 WeakPolarHBondContact O-CB 3.34Å; H876-A879 PolarHBondContact O-N 2.86Å; H876-Y921 AromaticContact CE1-CD1 3.71Å; H876-Y921 AromaticContact ND1-CD1 3.87Å
877	P	93.9	Very high	97.4	Very high	94 Å²	94	44.7 Å²	44.7	61%	0.61	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-35.8	-171.2	-26.3	34.8	0	0	0	115.1
878	E	94.7	Very high	97.4	Very high	129 Å²	129	47.7 Å²	47.7	60%	0.603	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-5.7	176.9	-57.6	-178.2	167.1	0	0	112.7	H876 R880 Y921	H876-E878 VanDerWaalsContact C-N 3.34Å; H876-E878 IonicContact CE1-OE2 3.86Å; H876-E878 PolarHBondContact ND1-N 3.11Å; H876-E878 PolarHBondContact O-N 3.38Å; E878-R880 VanDerWaalsContact C-N 3.33Å; E878-R880 PolarHBondContact O-N 3.42Å; E878-Y921 HydrophobicContact CB-CD1 4.17Å; E878-Y921 HydrophobicContact CB-CE1 3.88Å
879	A	96.4	Very high	97.3	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.008	27%	0.265	C	S	.	.			trans	-96.8	73.8	-179.7	0	0	0	0	0	106.7	W664 L873 H876 Y921	W664-A879 HydrophobicContact CE3-CB 4.26Å; W664-A879 HydrophobicContact CH2-CB 3.54Å; W664-A879 HydrophobicContact CZ3-CB 3.19Å; W664-A879 VanDerWaalsContact CZ3-O 3.24Å; W664-A879 WeakPolarHBondContact CZ3-O 3.39Å; L873-A879 HydrophobicContact CB-CB 4.24Å; L873-A879 HydrophobicContact CD2-CB 4.4Å; H876-A879 HydrophobicContact CB-CB 3.66Å; H876-A879 WeakPolarHBondContact O-CA 3.48Å; H876-A879 WeakPolarHBondContact O-CB 3.34Å; H876-A879 PolarHBondContact O-N 2.86Å; A879-Y921 WeakPolarHBondContact CA-OH 3.39Å; A879-Y921 HydrophobicContact CB-CE1 4.15Å; A879-Y921 HydrophobicContact CB-CE2 4.38Å; A879-Y921 WeakPolarHBondContact CB-OH 3.3Å
880	R	97.1	Very high	97.3	Very high	128 Å²	128	51.1 Å²	51.1	48%	0.483	27%	0.27	S	S	.	.			trans	-143.2	150.5	178.6	-65	-177.7	-177.4	-175.4	0.1	109	V662 E878	V662-R880 VanDerWaalsContact O-CA 3.26Å; V662-R880 WeakPolarHBondContact O-CA 3.49Å; E878-R880 VanDerWaalsContact C-N 3.33Å; E878-R880 PolarHBondContact O-N 3.42Å
881	T	98.2	Very high	97.3	Very high	2 Å²	2	54.9 Å²	54.9	1%	0.012	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	141.1	176.1	-73.2	0	0	0	0	110	T661 V662 P846 G847 E885 M886	T661-T881 CarbonylContact C-O 3.56Å; T661-T881 VanDerWaalsContact CA-O 3.25Å; T661-T881 WeakPolarHBondContact CA-O 3.5Å; V662-T881 HydrophobicContact CG2-CG2 4.38Å; V662-T881 PolarHBondContact N-O 3.1Å; V662-T881 PolarHBondContact O-N 3.49Å; P846-T881 WeakPolarHBondContact CD-OG1 3.45Å; G847-T881 PolarHBondContact N-OG1 3.49Å; T881-E885 HydrophobicContact CG2-CB 3.71Å; T881-E885 HydrophobicContact CG2-CG 4.34Å; T881-M886 HydrophobicContact CG2-CG 4.21Å; T881-M886 HydrophobicContact CG2-SD 4.08Å
882	N	98.3	Very high	97.4	Very high	59 Å²	59	55.4 Å²	55.4	32%	0.316	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	146	169.6	-170	-57.5	0	0	0	110	R660 D884 E885	R660-N882 WeakPolarHBondContact O-CA 3.24Å; N882-D884 PolarHBondContact O-N 2.97Å; N882-D884 VanDerWaalsContact O-N 3.11Å; N882-D884 PolarHBondContact OD1-N 2.75Å; N882-D884 PolarHBondContact OD1-OD1 3.42Å; N882-D884 PolarHBondContact OD1-OD2 2.89Å; N882-E885 PolarHBondContact O-N 3.18Å; N882-E885 VanDerWaalsContact O-N 3.07Å
883	F	98.4	Very high	97.4	Very high	2 Å²	2	57.1 Å²	57.1	1%	0.009	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-52.7	-31.6	175	-79.1	23.4	0	0	0	113	E622 L625 V657 R660 V662 M670 E885 M886 L887	E622-F883 HydrophobicContact CG-CD2 4Å; L625-F883 HydrophobicContact CB-CD2 4.1Å; L625-F883 HydrophobicContact CB-CE2 3.82Å; L625-F883 HydrophobicContact CB-CZ 4.31Å; L625-F883 HydrophobicContact CD1-CB 4.37Å; L625-F883 HydrophobicContact CD1-CD2 4.11Å; L625-F883 HydrophobicContact CD1-CG 4.18Å; V657-F883 HydrophobicContact CG1-CZ 4.47Å; R660-F883 HydrophobicContact CB-CB 4.3Å; R660-F883 HydrophobicContact CB-CD1 4.48Å; R660-F883 HydrophobicContact CB-CD2 4.38Å; R660-F883 HydrophobicContact CB-CG 4.15Å; R660-F883 WeakPolarHBondContact O-CD1 3.38Å; R660-F883 PolarHBondContact O-N 2.94Å; V662-F883 HydrophobicContact CG1-CD1 4.02Å; V662-F883 HydrophobicContact CG1-CE1 3.51Å; M670-F883 HydrophobicContact CE-CE1 3.89Å; M670-F883 HydrophobicContact CE-CZ 3.62Å; F883-E885 PolarHBondContact O-N 3.44Å; F883-E885 VanDerWaalsContact O-N 3.14Å; F883-M886 CarbonylContact O-C 3.5Å; F883-M886 WeakPolarHBondContact O-CA 3.07Å; F883-M886 WeakPolarHBondContact O-CB 3.45Å; F883-M886 PolarHBondContact O-N 3.43Å; F883-L887 WeakPolarHBondContact O-CG 3.39Å; F883-L887 PolarHBondContact O-N 3.12Å
884	D	98.4	Very high	97.5	Very high	87 Å²	87	58.2 Å²	58.2	47%	0.465	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-57.3	-28.7	179.5	-61.6	-15.8	0	0	0	112.8	R660 N882 M886	R660-D884 IonicContact CZ-OD1 3.95Å; R660-D884 IonicContact NH2-OD1 3.07Å; R660-D884 PolarHBondContact NH2-OD1 3.28Å; N882-D884 PolarHBondContact O-N 2.97Å; N882-D884 VanDerWaalsContact O-N 3.11Å; N882-D884 PolarHBondContact OD1-N 2.75Å; N882-D884 PolarHBondContact OD1-OD1 3.42Å; N882-D884 PolarHBondContact OD1-OD2 2.89Å; D884-M886 PolarHBondContact O-N 3.37Å
885	E	98.1	Very high	97.5	Very high	88 Å²	88	58.3 Å²	58.3	41%	0.411	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-79.9	-2.1	174.8	-65.5	173.9	-128.9	0	0	113.1	H851 T881 N882 F883 T890	H851-E885 PolarHBondContact NE2-O 3.47Å; T881-E885 HydrophobicContact CG2-CB 3.71Å; T881-E885 HydrophobicContact CG2-CG 4.34Å; N882-E885 PolarHBondContact O-N 3.18Å; N882-E885 VanDerWaalsContact O-N 3.07Å; F883-E885 PolarHBondContact O-N 3.44Å; F883-E885 VanDerWaalsContact O-N 3.14Å; E885-T890 WeakPolarHBondContact O-CB 3.28Å; E885-T890 PolarHBondContact O-OG1 2.95Å
886	M	98.6	Very high	97.7	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-124	4.4	-177.3	-63	170.4	51.4	0	0	112.9	G619 L620 L625 V662 M670 F850 T881 F883 D884 T890	G619-M886 CarbonylContact C-O 3.56Å; G619-M886 WeakPolarHBondContact CA-O 3.22Å; L620-M886 PolarHBondContact N-O 3.49Å; L625-M886 HydrophobicContact CD1-CB 4.05Å; L625-M886 HydrophobicContact CD1-CE 4.48Å; L625-M886 HydrophobicContact CD2-CE 3.85Å; V662-M886 HydrophobicContact CG1-SD 4.44Å; V662-M886 HydrophobicContact CG2-SD 3.69Å; M670-M886 HydrophobicContact CB-CE 4.44Å; M670-M886 HydrophobicContact SD-CE 3.95Å; F850-M886 HydrophobicContact CB-CE 4.11Å; F850-M886 HydrophobicContact CD1-CB 4.34Å; F850-M886 HydrophobicContact CD1-CE 3.8Å; F850-M886 HydrophobicContact CD1-CG 4Å; F850-M886 HydrophobicContact CD1-SD 4.49Å; F850-M886 HydrophobicContact CD2-CE 3.52Å; F850-M886 HydrophobicContact CE1-CB 4.12Å; F850-M886 HydrophobicContact CE1-CE 4.04Å; F850-M886 HydrophobicContact CE1-CG 4.29Å; F850-M886 HydrophobicContact CE2-CE 3.77Å; F850-M886 HydrophobicContact CG-CE 3.54Å; F850-M886 HydrophobicContact CG-SD 4.46Å; F850-M886 HydrophobicContact CZ-CE 4.02Å; T881-M886 HydrophobicContact CG2-CG 4.21Å; T881-M886 HydrophobicContact CG2-SD 4.08Å; F883-M886 CarbonylContact O-C 3.5Å; F883-M886 WeakPolarHBondContact O-CA 3.07Å; F883-M886 WeakPolarHBondContact O-CB 3.45Å; F883-M886 PolarHBondContact O-N 3.43Å; D884-M886 PolarHBondContact O-N 3.37Å; M886-T890 VanDerWaalsContact C-OG1 3.29Å; M886-T890 WeakPolarHBondContact CA-OG1 3.25Å
887	L	98.6	Very high	97.8	Very high	40 Å²	40	51.4 Å²	51.4	21%	0.209	28%	0.276	C	S	.	.	S	Bend	trans	-77.4	167.5	179.6	-69.8	-172.8	0	0	0	113.1	G619 L620 E622 L625 F883 G889 T890	G619-L887 WeakPolarHBondContact CA-O 3.3Å; L620-L887 WeakPolarHBondContact O-CA 3.38Å; E622-L887 HydrophobicContact CB-CD2 3.8Å; E622-L887 HydrophobicContact CG-CD2 4.26Å; L625-L887 HydrophobicContact CD1-CD2 4.33Å; F883-L887 WeakPolarHBondContact O-CG 3.39Å; F883-L887 PolarHBondContact O-N 3.12Å; L887-G889 PolarHBondContact O-N 2.82Å; L887-T890 PolarHBondContact N-OG1 2.93Å; L887-T890 VanDerWaalsContact O-CB 3.3Å; L887-T890 WeakPolarHBondContact O-CB 3.36Å; L887-T890 VanDerWaalsContact O-CG2 3.24Å; L887-T890 WeakPolarHBondContact O-CG2 3.48Å; L887-T890 PolarHBondContact O-N 3.26Å; L887-T890 VanDerWaalsContact O-N 3.12Å; L887-T890 PolarHBondContact O-OG1 3.16Å
888	P	98.3	Very high	97.8	Very high	66 Å²	66	47.3 Å²	47.3	43%	0.429	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	138.2	-179.2	-22.8	34.5	0	0	0	112.6	L620 E621	L620-P888 VanDerWaalsContact O-CD 3.3Å; L620-P888 WeakPolarHBondContact O-CD 3.43Å; E621-P888 HydrophobicContact CG-CG 4.48Å; E621-P888 WeakPolarHBondContact OE1-CG 3.41Å
889	G	97.5	Very high	97.7	Very high	55 Å²	55	47.5 Å²	47.5	57%	0.567	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	91	-3.1	-173.3	0	0	0	0	0	114.3	S617 L887 H891	S617-G889 PolarHBondContact OG-N 3.49Å; L887-G889 PolarHBondContact O-N 2.82Å; G889-H891 PolarHBondContact O-CD2 3.36Å; G889-H891 VanDerWaalsContact O-CD2 3.23Å
890	T	98.4	Very high	97.6	Very high	29 Å²	29	48.3 Å²	48.3	18%	0.178	26%	0.262	C	S	.	.			trans	-91.9	149.7	174.7	61.9	0	0	0	0	112.4	S617 T618 G619 H851 E885 M886 L887	S617-T890 PolarHBondContact OG-O 3.06Å; T618-T890 PolarHBondContact N-O 3.26Å; T618-T890 PolarHBondContact OG1-O 2.98Å; G619-T890 WeakPolarHBondContact CA-OG1 3.3Å; G619-T890 PolarHBondContact N-O 2.97Å; H851-T890 PolarHBondContact CE1-OG1 3.37Å; E885-T890 WeakPolarHBondContact O-CB 3.28Å; E885-T890 PolarHBondContact O-OG1 2.95Å; M886-T890 VanDerWaalsContact C-OG1 3.29Å; M886-T890 WeakPolarHBondContact CA-OG1 3.25Å; L887-T890 PolarHBondContact N-OG1 2.93Å; L887-T890 VanDerWaalsContact O-CB 3.3Å; L887-T890 WeakPolarHBondContact O-CB 3.36Å; L887-T890 VanDerWaalsContact O-CG2 3.24Å; L887-T890 WeakPolarHBondContact O-CG2 3.48Å; L887-T890 PolarHBondContact O-N 3.26Å; L887-T890 VanDerWaalsContact O-N 3.12Å; L887-T890 PolarHBondContact O-OG1 3.16Å
891	H	98.1	Very high	97.5	Very high	90 Å²	90	44.5 Å²	44.5	42%	0.417	25%	0.254	S	S	.	.			trans	-141.1	160.9	-171.5	-64.9	-96.7	0	0	0	111.3	S617 T618 G889 Q893	S617-H891 WeakPolarHBondContact CA-CE1 3.28Å; T618-H891 WeakPolarHBondContact OG1-CA 3.23Å; G889-H891 PolarHBondContact O-CD2 3.36Å; G889-H891 VanDerWaalsContact O-CD2 3.23Å; H891-Q893 PolarHBondContact O-N 2.83Å
892	F	98.4	Very high	97.3	Very high	19 Å²	19	44.5 Å²	44.5	8%	0.083	25%	0.254	C	S	.	.			trans	-57.6	126.7	167.7	176.4	-98.7	0	0	0	110.7	V841 N848 H851 V852 R855 R894 E942 Q943	V841-F892 HydrophobicContact CB-CZ 4.5Å; V841-F892 HydrophobicContact CG1-CZ 3.97Å; N848-F892 HydrophobicContact CB-CD2 4.36Å; N848-F892 HydrophobicContact CB-CE2 4.32Å; N848-F892 VanDerWaalsContact CG-CD2 3.43Å; N848-F892 VanDerWaalsContact CG-CE2 3.41Å; N848-F892 VanDerWaalsContact ND2-CE2 3.25Å; N848-F892 WeakPolarHBondContact ND2-CE2 3.31Å; N848-F892 WeakPolarHBondContact O-CD2 3.47Å; N848-F892 WeakPolarHBondContact OD1-CA 3.14Å; N848-F892 WeakPolarHBondContact OD1-CD2 3.44Å; N848-F892 WeakPolarHBondContact OD1-CE2 3.4Å; H851-F892 HydrophobicContact CB-CB 3.75Å; H851-F892 HydrophobicContact CB-CD2 4.48Å; V852-F892 HydrophobicContact CB-CD2 3.6Å; V852-F892 HydrophobicContact CB-CE2 3.77Å; V852-F892 HydrophobicContact CB-CG 4.32Å; V852-F892 HydrophobicContact CG2-CD2 4.13Å; V852-F892 HydrophobicContact CG2-CE2 4.07Å; V852-F892 HydrophobicContact CG2-CZ 4.47Å; R855-F892 VanDerWaalsContact NH1-CD1 3.26Å; F892-R894 HydrophobicContact CD1-CG 4.11Å; F892-R894 HydrophobicContact CE1-CB 4.44Å; F892-R894 HydrophobicContact CE1-CG 3.96Å; F892-E942 HydrophobicContact CZ-CB 4.06Å; F892-Q943 HydrophobicContact CE1-CB 3.79Å; F892-Q943 HydrophobicContact CZ-CB 4.11Å
893	Q	98.3	Very high	97.1	Very high	84 Å²	84	42.8 Å²	42.8	39%	0.393	25%	0.248	S	C	.	.			trans	-91.2	109.9	177.1	-61.2	-175.7	36	0	0	109.5	N848 H891 V895 I896 E942	N848-Q893 PolarHBondContact ND2-O 2.76Å; N848-Q893 PolarHBondContact OD1-N 2.92Å; H891-Q893 PolarHBondContact O-N 2.83Å; Q893-V895 VanDerWaalsContact C-N 3.3Å; Q893-V895 PolarHBondContact O-N 2.86Å; Q893-I896 HydrophobicContact CB-CG1 3.99Å; Q893-E942 WeakPolarHBondContact O-CB 3.07Å
894	R	98.3	Very high	97	Very high	26 Å²	26	50.6 Å²	50.6	10%	0.098	28%	0.284	C	S	.	.	S	Bend	trans	-64.7	-34.5	177.5	-67.6	-175	-74.2	124.5	0.9	112.5	F892 E942 Q943 P948 D950 L951	F892-R894 HydrophobicContact CD1-CG 4.11Å; F892-R894 HydrophobicContact CE1-CB 4.44Å; F892-R894 HydrophobicContact CE1-CG 3.96Å; R894-E942 PolarHBondContact O-N 3.33Å; R894-Q943 HydrophobicContact CB-CB 4.18Å; R894-Q943 HydrophobicContact CG-CB 4.17Å; R894-Q943 PolarHBondContact O-N 3.45Å; R894-Q943 VanDerWaalsContact O-N 3.09Å; R894-P948 HydrophobicContact CB-CB 4.26Å; R894-D950 IonicContact CZ-OD1 2.73Å; R894-D950 IonicContact CZ-OD2 3.21Å; R894-D950 IonicContact NH1-OD1 2.71Å; R894-D950 PolarHBondContact NH1-OD1 3.14Å; R894-D950 IonicContact NH1-OD2 2.79Å; R894-D950 IonicContact NH2-OD1 2.81Å; R894-D950 PolarHBondContact NH2-OD1 3Å; R894-D950 IonicContact NH2-OD2 3.28Å; R894-D950 PolarHBondContact NH2-OD2 3.07Å; R894-L951 HydrophobicContact CB-CD1 3.87Å
895	V	98.7	Very high	96.9	Very high	13 Å²	13	50.1 Å²	50.1	8%	0.079	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	135.2	175.6	175.8	0	0	0	0	107.6	Q893 T939 R940 I941 P948 L951 L952	Q893-V895 VanDerWaalsContact C-N 3.3Å; Q893-V895 PolarHBondContact O-N 2.86Å; V895-T939 HydrophobicContact CG1-CG2 3.5Å; V895-R940 CarbonylContact C-O 3.59Å; V895-R940 VanDerWaalsContact CA-O 3.3Å; V895-R940 WeakPolarHBondContact CA-O 3.22Å; V895-R940 WeakPolarHBondContact CG1-O 3.15Å; V895-I941 HydrophobicContact CG2-CG2 4.48Å; V895-P948 HydrophobicContact CG2-CB 3.88Å; V895-P948 HydrophobicContact CG2-CG 3.55Å; V895-L951 HydrophobicContact CB-CB 4.11Å; V895-L951 HydrophobicContact CB-CD1 4Å; V895-L951 HydrophobicContact CG2-CB 3.88Å; V895-L951 HydrophobicContact CG2-CD1 4.05Å; V895-L952 HydrophobicContact CG1-CD2 4.2Å; V895-L952 HydrophobicContact CG2-CD2 3.93Å; V895-L952 HydrophobicContact CG2-CG 4.2Å
896	I	98.4	Very high	96.7	Very high	15 Å²	15	47.4 Å²	47.4	8%	0.077	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	105.3	173.4	-50.7	171.3	0	0	0	108.2	T845 Q893 R940 E942	T845-I896 HydrophobicContact CG2-CD1 4.33Å; Q893-I896 HydrophobicContact CB-CG1 3.99Å; I896-R940 HydrophobicContact CB-CB 4.24Å; I896-R940 PolarHBondContact N-O 3.36Å; I896-R940 PolarHBondContact O-N 3.04Å; I896-E942 HydrophobicContact CD1-CG 3.71Å; I896-E942 HydrophobicContact CG1-CG 3.82Å
897	P	97.6	Very high	96.6	Very high	53 Å²	53	52.2 Å²	52.2	34%	0.344	30%	0.298	S	S	.	.			trans	-73.4	165.3	-176.6	31.5	-36	0	0	0	112.6	E955	P897-E955 WeakPolarHBondContact CB-OE1 3.35Å; P897-E955 WeakPolarHBondContact CB-OE2 3.22Å
898	E	95.4	Very high	96.5	Very high	8 Å²	8	53.6 Å²	53.6	4%	0.037	31%	0.305	C	S	.	.			trans	-63	133	169.7	174.7	64.7	-123	0	0	110.7	G900 A902 A903 R927 A937 I938 E955 K958 Y959	E898-G900 VanDerWaalsContact OE1-CA 3.24Å; E898-G900 WeakPolarHBondContact OE1-CA 3.27Å; E898-G900 PolarHBondContact OE1-N 3.45Å; E898-A902 HydrophobicContact CG-CB 4.03Å; E898-A903 HydrophobicContact CG-CB 4.18Å; E898-A903 WeakPolarHBondContact O-CB 3.27Å; E898-R927 IonicContact OE1-NH1 3.57Å; E898-R927 IonicContact OE1-NH2 3.93Å; E898-R927 IonicContact OE2-CZ 3.39Å; E898-R927 IonicContact OE2-NH1 2.93Å; E898-R927 PolarHBondContact OE2-NH1 3.48Å; E898-R927 IonicContact OE2-NH2 3.13Å; E898-R927 PolarHBondContact OE2-NH2 2.56Å; E898-A937 HydrophobicContact CB-CB 4.02Å; E898-A937 HydrophobicContact CG-CB 4Å; E898-I938 PolarHBondContact OE2-N 3.23Å; E898-E955 PolarHBondContact N-OE1 3.26Å; E898-K958 PolarHBondContact O-NZ 3.13Å; E898-Y959 WeakPolarHBondContact CB-OH 3.35Å
899	N	92.8	Very high	96.5	Very high	133 Å²	133	50.5 Å²	50.5	71%	0.711	29%	0.285	S	S	*	.			trans	-128.4	3.5	179.9	67.6	-6.2	0	0	0	114.4
900	G	92.9	Very high	96.5	Very high	17 Å²	17	52.6 Å²	52.6	18%	0.175	28%	0.278	C	S	.	.	S	Bend	trans	-90	-158	176.5	0	0	0	0	0	114.1	E898 A902 A903	E898-G900 VanDerWaalsContact OE1-CA 3.24Å; E898-G900 WeakPolarHBondContact OE1-CA 3.27Å; E898-G900 PolarHBondContact OE1-N 3.45Å; G900-A902 VanDerWaalsContact C-N 3.33Å; G900-A902 PolarHBondContact O-N 2.86Å; G900-A903 WeakPolarHBondContact O-CB 3.31Å; G900-A903 PolarHBondContact O-N 2.81Å
901	P	94.9	Very high	96.4	Very high	49 Å²	49	51.2 Å²	51.2	32%	0.318	27%	0.27	S	S	.	.	H	α-helix	trans	-53.8	-41.3	-173.8	-28.4	36	0	0	0	114.7	A903 Q904 E933 E934	P901-A903 PolarHBondContact O-N 3.04Å; P901-Q904 WeakPolarHBondContact O-CB 3.49Å; P901-Q904 PolarHBondContact O-N 3.21Å; P901-E933 HydrophobicContact CB-CB 4.44Å; P901-E933 HydrophobicContact CG-CB 4.14Å; P901-E934 HydrophobicContact CB-CG 3.89Å
902	A	94.9	Very high	96.4	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.008	25%	0.25	C	S	.	.	H	α-helix	trans	-57.4	-29.7	176.3	0	0	0	0	0	113.9	E898 G900 Q904 V909 E933 A937	E898-A902 HydrophobicContact CG-CB 4.03Å; G900-A902 VanDerWaalsContact C-N 3.33Å; G900-A902 PolarHBondContact O-N 2.86Å; A902-Q904 VanDerWaalsContact C-N 3.31Å; A902-Q904 PolarHBondContact O-N 2.9Å; A902-V909 HydrophobicContact CB-CG2 3.81Å; A902-V909 VanDerWaalsContact O-CG2 3.23Å; A902-V909 WeakPolarHBondContact O-CG2 3.43Å; A902-E933 VanDerWaalsContact CB-O 3.28Å; A902-E933 WeakPolarHBondContact CB-O 3.46Å; A902-E933 PolarHBondContact N-O 2.81Å; A902-A937 HydrophobicContact CB-CB 4.04Å
903	A	94.4	Very high	96.4	Very high	24 Å²	24	46 Å²	46	20%	0.198	25%	0.246	C	C	.	.	H	α-helix	trans	-76.7	-16.4	177.5	0	0	0	0	0	113.7	E898 G900 P901	E898-A903 HydrophobicContact CG-CB 4.18Å; E898-A903 WeakPolarHBondContact O-CB 3.27Å; G900-A903 WeakPolarHBondContact O-CB 3.31Å; G900-A903 PolarHBondContact O-N 2.81Å; P901-A903 PolarHBondContact O-N 3.04Å
904	Q	95.8	Very high	96.5	Very high	165 Å²	165	42 Å²	42	77%	0.771	23%	0.228	S	C	*	.	H	α-helix	trans	-80.1	-30.7	-179.1	-59.1	-179.5	4.7	0	0	112.3	P901 A902	P901-Q904 WeakPolarHBondContact O-CB 3.49Å; P901-Q904 PolarHBondContact O-N 3.21Å; A902-Q904 VanDerWaalsContact C-N 3.31Å; A902-Q904 PolarHBondContact O-N 2.9Å
905	D	95.4	Very high	96.5	Very high	78 Å²	78	40.8 Å²	40.8	42%	0.417	22%	0.223	S	C	.	.			trans	-130.4	77.7	172.1	-174.5	5.4	0	0	0	111.4	N907 N908	D905-N907 PolarHBondContact O-N 3.16Å; D905-N907 VanDerWaalsContact O-N 3.1Å; D905-N907 PolarHBondContact OD1-N 3.43Å; D905-N908 HydrophobicContact CB-CB 4.31Å; D905-N908 PolarHBondContact O-N 3.3Å; D905-N908 VanDerWaalsContact O-N 3.11Å; D905-N908 VanDerWaalsContact OD2-CB 3.25Å; D905-N908 WeakPolarHBondContact OD2-CB 3.32Å
906	P	95.7	Very high	96.5	Very high	31 Å²	31	40.5 Å²	40.5	20%	0.201	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-21.8	-175.4	-24.1	34.3	0	0	0	114.9	N908 K958 Y959	P906-N908 VanDerWaalsContact C-N 3.35Å; P906-K958 HydrophobicContact CB-CG 4.23Å; P906-K958 WeakPolarHBondContact CB-O 3.38Å; P906-K958 HydrophobicContact CG-CG 4.29Å; P906-Y959 HydrophobicContact CB-CD1 3.68Å; P906-Y959 HydrophobicContact CB-CE1 3.82Å; P906-Y959 HydrophobicContact CG-CE1 4.37Å
907	N	96.1	Very high	96.5	Very high	101 Å²	101	39.8 Å²	39.8	54%	0.54	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-25	179.5	-70.8	-47.6	0	0	0	112.8	D905 N961	D905-N907 PolarHBondContact O-N 3.16Å; D905-N907 VanDerWaalsContact O-N 3.1Å; D905-N907 PolarHBondContact OD1-N 3.43Å; N907-N961 PolarHBondContact O-ND2 3.23Å
908	N	95.6	Very high	96.5	Very high	69 Å²	69	38.3 Å²	38.3	37%	0.369	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-8.1	178.7	-170.5	37.3	0	0	0	112.9	D905 P906 K910	D905-N908 HydrophobicContact CB-CB 4.31Å; D905-N908 PolarHBondContact O-N 3.3Å; D905-N908 VanDerWaalsContact O-N 3.11Å; D905-N908 VanDerWaalsContact OD2-CB 3.25Å; D905-N908 WeakPolarHBondContact OD2-CB 3.32Å; P906-N908 VanDerWaalsContact C-N 3.35Å; N908-K910 PolarHBondContact O-N 2.78Å
909	V	97.9	Very high	96.6	Very high	1 Å²	1	38 Å²	38	1%	0.006	21%	0.205	C	C	.	.			trans	-68.6	122.4	175.2	-179.9	0	0	0	0	109.9	A902 R911 A937 Y959 A962	A902-V909 HydrophobicContact CB-CG2 3.81Å; A902-V909 VanDerWaalsContact O-CG2 3.23Å; A902-V909 WeakPolarHBondContact O-CG2 3.43Å; V909-R911 WeakPolarHBondContact CG1-O 3.43Å; V909-A937 HydrophobicContact CG1-CB 3.91Å; V909-Y959 HydrophobicContact CB-CD1 3.65Å; V909-Y959 HydrophobicContact CB-CE1 4.3Å; V909-Y959 HydrophobicContact CB-CG 4.38Å; V909-Y959 HydrophobicContact CG1-CD1 3.93Å; V909-Y959 HydrophobicContact CG1-CG 4.32Å; V909-Y959 HydrophobicContact CG2-CD1 3.52Å; V909-Y959 HydrophobicContact CG2-CE1 3.68Å; V909-A962 HydrophobicContact CG1-CB 4.09Å
910	K	97.3	Very high	96.9	Very high	98 Å²	98	33.4 Å²	33.4	43%	0.426	18%	0.177	S	C	.	.			trans	-92.6	-26.5	-178.9	-61.9	-179.2	-176.7	168.4	0	112.7	N908 Q935 A962 E963 L1027	N908-K910 PolarHBondContact O-N 2.78Å; K910-Q935 HydrophobicContact CD-CG 4.49Å; K910-Q935 PolarHBondContact N-O 3.37Å; K910-A962 WeakPolarHBondContact O-CA 3.24Å; K910-E963 PolarHBondContact O-N 2.9Å; K910-L1027 HydrophobicContact CB-CD1 4.31Å; K910-L1027 HydrophobicContact CB-CD2 4.17Å; K910-L1027 HydrophobicContact CD-CD1 3.59Å
911	R	97.8	Very high	97.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	136.8	179.3	-173.6	172.1	-69.8	169.6	-1	111.8	V909 L913 Q935 V936 A937 E963 T1023 A1024 D1026 L1027	V909-R911 WeakPolarHBondContact CG1-O 3.43Å; R911-L913 HydrophobicContact CG-CD2 3.72Å; R911-L913 HydrophobicContact CG-CG 4.42Å; R911-Q935 PolarHBondContact N-O 3.44Å; R911-V936 HydrophobicContact CB-CG2 4.39Å; R911-V936 VanDerWaalsContact O-CA 3.32Å; R911-V936 WeakPolarHBondContact O-CA 3.4Å; R911-A937 PolarHBondContact O-N 3.12Å; R911-E963 CarbonylContact C-O 3.6Å; R911-E963 WeakPolarHBondContact CA-O 3.3Å; R911-E963 HydrophobicContact CG-CB 4.38Å; R911-E963 IonicContact CZ-OE2 2.95Å; R911-E963 IonicContact NE-OE2 3.83Å; R911-E963 PolarHBondContact NE-OE2 3.11Å; R911-E963 IonicContact NH2-OE2 2.65Å; R911-E963 PolarHBondContact NH2-OE2 2.86Å; R911-T1023 PolarHBondContact NH1-O 3.17Å; R911-A1024 WeakPolarHBondContact CD-O 3.46Å; R911-A1024 PolarHBondContact NH1-O 3.47Å; R911-D1026 VanDerWaalsContact CZ-O 3.25Å; R911-D1026 PolarHBondContact NH1-O 2.98Å; R911-D1026 PolarHBondContact NH2-O 3.19Å; R911-L1027 HydrophobicContact CB-CD2 4.08Å
912	L	98.3	Very high	97.3	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	115.6	170.9	176.9	61.8	0	0	0	108.7	F914 A937 E955 Y959 A962 E963 L964 A965	L912-F914 HydrophobicContact CD2-CE1 3.96Å; L912-F914 HydrophobicContact CD2-CE2 3.79Å; L912-F914 HydrophobicContact CD2-CZ 3.34Å; L912-F914 HydrophobicContact CG-CE1 4.34Å; L912-F914 HydrophobicContact CG-CE2 4.06Å; L912-F914 HydrophobicContact CG-CZ 3.94Å; L912-A937 HydrophobicContact CD1-CB 3.67Å; L912-E955 HydrophobicContact CD2-CG 4.26Å; L912-Y959 HydrophobicContact CD1-CD2 4Å; L912-Y959 HydrophobicContact CD1-CE2 4.02Å; L912-Y959 HydrophobicContact CD2-CD2 3.93Å; L912-Y959 HydrophobicContact CG-CD2 4.43Å; L912-A962 HydrophobicContact CB-CB 4.17Å; L912-E963 PolarHBondContact N-O 3.07Å; L912-L964 HydrophobicContact CB-CD2 3.98Å; L912-L964 HydrophobicContact CD2-CD2 3.96Å; L912-L964 HydrophobicContact CG-CD2 4.44Å; L912-A965 PolarHBondContact O-N 2.86Å
913	L	98.6	Very high	97.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	117.7	176	-58.1	-174.7	0	0	0	109.5	R911 L923 V936 A937 I938 T939 A965 A1024 F1025	R911-L913 HydrophobicContact CG-CD2 3.72Å; R911-L913 HydrophobicContact CG-CG 4.42Å; L913-L923 HydrophobicContact CD1-CD2 4.28Å; L913-V936 HydrophobicContact CD1-CG1 3.79Å; L913-V936 HydrophobicContact CG-CG1 3.78Å; L913-A937 PolarHBondContact N-O 3.42Å; L913-I938 HydrophobicContact CB-CG1 4.34Å; L913-I938 HydrophobicContact CD1-CG1 4.37Å; L913-I938 WeakPolarHBondContact O-CA 3.39Å; L913-T939 PolarHBondContact O-N 3.04Å; L913-A965 HydrophobicContact CD2-CB 3.82Å; L913-A1024 HydrophobicContact CD1-CB 4.29Å; L913-F1025 HydrophobicContact CD1-CE1 4.06Å; L913-F1025 HydrophobicContact CD1-CZ 3.95Å
914	F	98.8	Very high	97.6	Very high	1 Å²	1	31.2 Å²	31.2	0%	0.004	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	134.3	166.5	-64.1	-74.3	0	0	0	109.6	L912 T939 I941 L952 E955 L964 A965 W966 C967 L984	L912-F914 HydrophobicContact CD2-CE1 3.96Å; L912-F914 HydrophobicContact CD2-CE2 3.79Å; L912-F914 HydrophobicContact CD2-CZ 3.34Å; L912-F914 HydrophobicContact CG-CE1 4.34Å; L912-F914 HydrophobicContact CG-CE2 4.06Å; L912-F914 HydrophobicContact CG-CZ 3.94Å; F914-T939 WeakPolarHBondContact CA-O 3.26Å; F914-T939 HydrophobicContact CD1-CG2 4.19Å; F914-T939 HydrophobicContact CE1-CG2 4.26Å; F914-I941 HydrophobicContact CB-CD1 4.37Å; F914-I941 HydrophobicContact CD1-CD1 4.38Å; F914-I941 HydrophobicContact CD1-CG1 4.49Å; F914-L952 HydrophobicContact CD1-CD2 4.04Å; F914-L952 HydrophobicContact CE1-CD2 3.76Å; F914-E955 HydrophobicContact CE1-CG 4.35Å; F914-L964 HydrophobicContact CE2-CD2 4.27Å; F914-A965 PolarHBondContact N-O 3.27Å; F914-W966 HydrophobicContact CB-CE3 3.66Å; F914-W966 HydrophobicContact CB-CZ3 3.96Å; F914-C967 PolarHBondContact O-N 2.94Å; F914-L984 HydrophobicContact CD2-CD1 4.03Å; F914-L984 HydrophobicContact CE2-CD1 4.48Å; F914-L984 HydrophobicContact CE2-CD2 4.45Å; F914-L984 HydrophobicContact CG-CD1 4.43Å
915	C	98.8	Very high	97.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	175.7	175.1	67.6	0	0	0	0	111.7	V919 L923 T939 R940 I941 C967	C915-V919 HydrophobicContact CB-CG1 3.68Å; C915-L923 HydrophobicContact CB-CD1 3.76Å; C915-T939 PolarHBondContact N-O 3.2Å; C915-R940 CarbonylContact O-C 3.59Å; C915-R940 WeakPolarHBondContact O-CA 3.22Å; C915-I941 PolarHBondContact O-N 3.29Å; C915-C967 WeakPolarHBondContact CA-O 3.31Å; C915-C967 HydrophobicContact CB-CB 4.32Å; C915-C967 WeakPolarHBondContact CB-O 3.37Å
916	T	98.8	Very high	97.8	Very high	6 Å²	6	27.1 Å²	27.1	4%	0.037	13%	0.128	C	C	.	.			trans	-143.3	148.8	174.8	-170.3	0	0	0	0	111.1	N842 V919 I941 L944 W966 Y976	N842-T916 WeakPolarHBondContact CB-OG1 3.48Å; T916-V919 WeakPolarHBondContact O-CG1 3.36Å; T916-I941 WeakPolarHBondContact CB-O 3.28Å; T916-I941 PolarHBondContact OG1-O 3.36Å; T916-L944 HydrophobicContact CG2-CD1 4.41Å; T916-W966 HydrophobicContact CG2-CH2 3.87Å; T916-W966 HydrophobicContact CG2-CZ2 3.97Å; T916-Y976 HydrophobicContact CG2-CD1 4.21Å; T916-Y976 HydrophobicContact CG2-CD2 3.39Å; T916-Y976 HydrophobicContact CG2-CE1 4.12Å; T916-Y976 HydrophobicContact CG2-CE2 3.32Å; T916-Y976 HydrophobicContact CG2-CG 3.84Å
917	G	97.8	Very high	97.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	-148.2	178.3	0	0	0	0	0	115.5	N842 V919 Y920	N842-G917 VanDerWaalsContact CG-CA 3.44Å; N842-G917 WeakPolarHBondContact OD1-CA 3.39Å; G917-V919 VanDerWaalsContact C-N 3.26Å; G917-V919 PolarHBondContact O-N 2.97Å; G917-V919 VanDerWaalsContact O-N 3.17Å; G917-Y920 WeakPolarHBondContact O-CB 3.4Å; G917-Y920 PolarHBondContact O-N 3.42Å
918	K	97.5	Very high	97.9	Very high	23 Å²	23	28.5 Å²	28.5	10%	0.1	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-24.3	-167.7	69.8	149.2	-72.3	-84.8	0	115.6	E795 L873 Y920 Y921 D922 E969	E795-K918 HydrophobicContact CG-CD 4.35Å; L873-K918 HydrophobicContact CD1-CB 3.9Å; L873-K918 HydrophobicContact CD2-CB 4.06Å; L873-K918 HydrophobicContact CG-CB 3.92Å; K918-Y920 PolarHBondContact O-N 3.38Å; K918-Y920 VanDerWaalsContact O-N 3.11Å; K918-Y921 PolarHBondContact O-N 3.38Å; K918-D922 IonicContact NZ-OD2 3.42Å; K918-D922 PolarHBondContact NZ-OD2 3.32Å; K918-E969 WeakPolarHBondContact CD-OE1 3.39Å; K918-E969 WeakPolarHBondContact CG-OE1 3.49Å; K918-E969 IonicContact NZ-OE2 3.26Å; K918-E969 PolarHBondContact NZ-OE2 3.14Å
919	V	98.3	Very high	98.1	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.012	14%	0.14	C	C	.	.	H	α-helix	trans	-61.7	-23.7	-176.7	75.5	0	0	0	0	111.8	C915 T916 G917 Y921 D922 L923 E969 F1020	C915-V919 HydrophobicContact CB-CG1 3.68Å; T916-V919 WeakPolarHBondContact O-CG1 3.36Å; G917-V919 VanDerWaalsContact C-N 3.26Å; G917-V919 PolarHBondContact O-N 2.97Å; G917-V919 VanDerWaalsContact O-N 3.17Å; V919-Y921 PolarHBondContact O-N 2.74Å; V919-D922 PolarHBondContact O-N 3.45Å; V919-L923 HydrophobicContact CG1-CD1 4.39Å; V919-L923 HydrophobicContact CG2-CG 4.39Å; V919-L923 WeakPolarHBondContact O-CG 3.19Å; V919-L923 PolarHBondContact O-N 2.99Å; V919-E969 HydrophobicContact CB-CB 4.39Å; V919-E969 HydrophobicContact CB-CG 4.47Å; V919-E969 HydrophobicContact CG2-CB 4.13Å; V919-F1020 HydrophobicContact CG2-CE2 4.07Å; V919-F1020 HydrophobicContact CG2-CZ 3.92Å
920	Y	98.5	Very high	98	Very high	35 Å²	35	33.1 Å²	33.1	14%	0.137	16%	0.156	C	C	.	.	H	α-helix	trans	-48.6	-45.9	171.5	171.5	-105.4	0	0	0	112.5	G917 K918 D922 L923 T924 I938 R940	G917-Y920 WeakPolarHBondContact O-CB 3.4Å; G917-Y920 PolarHBondContact O-N 3.42Å; K918-Y920 PolarHBondContact O-N 3.38Å; K918-Y920 VanDerWaalsContact O-N 3.11Å; Y920-D922 VanDerWaalsContact C-N 3.33Å; Y920-D922 PolarHBondContact O-N 2.93Å; Y920-L923 PolarHBondContact O-N 3.29Å; Y920-T924 HydrophobicContact CD1-CG2 4.38Å; Y920-T924 HydrophobicContact CD2-CG2 3.95Å; Y920-T924 HydrophobicContact CE1-CG2 3.94Å; Y920-T924 HydrophobicContact CE2-CG2 3.46Å; Y920-T924 VanDerWaalsContact CE2-CG2 3.46Å; Y920-T924 HydrophobicContact CG-CG2 4.39Å; Y920-T924 VanDerWaalsContact CZ-CG2 3.45Å; Y920-T924 WeakPolarHBondContact O-CG2 3.24Å; Y920-T924 PolarHBondContact O-N 3Å; Y920-T924 PolarHBondContact O-OG1 3Å; Y920-I938 HydrophobicContact CD2-CG2 3.75Å; Y920-I938 HydrophobicContact CE2-CG2 4.04Å; Y920-R940 VanDerWaalsContact CD2-CD 3.5Å; Y920-R940 HydrophobicContact CD2-CG 3.5Å; Y920-R940 VanDerWaalsContact CD2-CG 3.5Å; Y920-R940 HydrophobicContact CE2-CG 4.1Å; Y920-R940 VanDerWaalsContact CG-CD 3.49Å; Y920-R940 HydrophobicContact CG-CG 3.83Å
921	Y	98.1	Very high	98	Very high	12 Å²	12	31 Å²	31	5%	0.047	16%	0.162	C	C	.	.	H	α-helix	trans	-70.5	-29	-177.6	-66.2	-83.9	0	0	0	113	S844 L873 H876 E878 A879 K918 V919 T924 R925	S844-Y921 PolarHBondContact O-OH 2.9Å; L873-Y921 HydrophobicContact CD1-CD2 4.18Å; L873-Y921 HydrophobicContact CD1-CE2 3.77Å; L873-Y921 HydrophobicContact CD2-CD2 3.43Å; L873-Y921 VanDerWaalsContact CD2-CD2 3.43Å; L873-Y921 HydrophobicContact CD2-CE2 3.6Å; L873-Y921 HydrophobicContact CD2-CG 4.16Å; L873-Y921 HydrophobicContact CG-CD2 4.46Å; L873-Y921 HydrophobicContact CG-CE2 4.32Å; H876-Y921 AromaticContact CE1-CD1 3.71Å; H876-Y921 AromaticContact ND1-CD1 3.87Å; E878-Y921 HydrophobicContact CB-CD1 4.17Å; E878-Y921 HydrophobicContact CB-CE1 3.88Å; A879-Y921 WeakPolarHBondContact CA-OH 3.39Å; A879-Y921 HydrophobicContact CB-CE1 4.15Å; A879-Y921 HydrophobicContact CB-CE2 4.38Å; A879-Y921 WeakPolarHBondContact CB-OH 3.3Å; K918-Y921 PolarHBondContact O-N 3.38Å; V919-Y921 PolarHBondContact O-N 2.74Å; Y921-T924 PolarHBondContact O-OG1 3.47Å; Y921-R925 WeakPolarHBondContact O-CB 3.24Å; Y921-R925 PolarHBondContact O-N 3.38Å
922	D	97.9	Very high	98	Very high	16 Å²	16	32.1 Å²	32.1	9%	0.086	17%	0.167	C	C	.	.	H	α-helix	trans	-72.8	-40.1	172.3	-69.8	-45.9	0	0	0	110.8	K918 V919 Y920 R925 E926	K918-D922 IonicContact NZ-OD2 3.42Å; K918-D922 PolarHBondContact NZ-OD2 3.32Å; V919-D922 PolarHBondContact O-N 3.45Å; Y920-D922 VanDerWaalsContact C-N 3.33Å; Y920-D922 PolarHBondContact O-N 2.93Å; D922-R925 IonicContact OD1-CZ 2.77Å; D922-R925 VanDerWaalsContact OD1-CZ 3.28Å; D922-R925 IonicContact OD1-NH1 3.03Å; D922-R925 PolarHBondContact OD1-NH1 2.86Å; D922-R925 IonicContact OD1-NH2 3.49Å; D922-R925 PolarHBondContact OD1-NH2 3.42Å; D922-E926 WeakPolarHBondContact O-CB 3.48Å; D922-E926 PolarHBondContact O-N 3.29Å; D922-E926 VanDerWaalsContact O-N 3.08Å
923	L	98.4	Very high	98	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-66.8	-45.2	177.9	-67.3	171.1	0	0	0	112.5	L913 C915 V919 Y920 E926 R927 I938 C967 L1021 A1024 F1025	L913-L923 HydrophobicContact CD1-CD2 4.28Å; C915-L923 HydrophobicContact CB-CD1 3.76Å; V919-L923 HydrophobicContact CG1-CD1 4.39Å; V919-L923 HydrophobicContact CG2-CG 4.39Å; V919-L923 WeakPolarHBondContact O-CG 3.19Å; V919-L923 PolarHBondContact O-N 2.99Å; Y920-L923 PolarHBondContact O-N 3.29Å; L923-E926 PolarHBondContact O-N 3.37Å; L923-R927 VanDerWaalsContact O-CB 3.3Å; L923-R927 WeakPolarHBondContact O-CB 3.42Å; L923-R927 PolarHBondContact O-N 3.13Å; L923-I938 HydrophobicContact CB-CD1 3.88Å; L923-I938 HydrophobicContact CD1-CG2 4.41Å; L923-C967 HydrophobicContact CD1-CB 3.81Å; L923-C967 HydrophobicContact CD2-CB 4.33Å; L923-L1021 HydrophobicContact CD2-CD2 3.89Å; L923-A1024 HydrophobicContact CD2-CB 4.25Å; L923-F1025 HydrophobicContact CB-CZ 4.41Å; L923-F1025 HydrophobicContact CD2-CE2 3.96Å; L923-F1025 HydrophobicContact CD2-CZ 4.31Å; L923-F1025 VanDerWaalsContact O-CZ 3.24Å; L923-F1025 WeakPolarHBondContact O-CZ 3.46Å
924	T	97.6	Very high	97.9	Very high	18 Å²	18	41.4 Å²	41.4	11%	0.11	21%	0.21	C	C	.	.	H	α-helix	trans	-65.4	-41.9	179.9	53	0	0	0	0	111.8	Y920 Y921 R927 K928 I938	Y920-T924 HydrophobicContact CD1-CG2 4.38Å; Y920-T924 HydrophobicContact CD2-CG2 3.95Å; Y920-T924 HydrophobicContact CE1-CG2 3.94Å; Y920-T924 HydrophobicContact CE2-CG2 3.46Å; Y920-T924 VanDerWaalsContact CE2-CG2 3.46Å; Y920-T924 HydrophobicContact CG-CG2 4.39Å; Y920-T924 VanDerWaalsContact CZ-CG2 3.45Å; Y920-T924 WeakPolarHBondContact O-CG2 3.24Å; Y920-T924 PolarHBondContact O-N 3Å; Y920-T924 PolarHBondContact O-OG1 3Å; Y921-T924 PolarHBondContact O-OG1 3.47Å; T924-R927 PolarHBondContact O-N 3.45Å; T924-K928 WeakPolarHBondContact O-CB 3.37Å; T924-K928 PolarHBondContact O-N 2.82Å; T924-I938 HydrophobicContact CG2-CD1 4.05Å
925	R	97.4	Very high	97.8	Very high	127 Å²	127	44 Å²	44	48%	0.479	22%	0.223	S	C	.	.	H	α-helix	trans	-59.3	-47.5	174.8	-175.1	-178.9	67.9	-123.5	-4.1	111.2	Y921 D922 K928 A929	Y921-R925 WeakPolarHBondContact O-CB 3.24Å; Y921-R925 PolarHBondContact O-N 3.38Å; D922-R925 IonicContact OD1-CZ 2.77Å; D922-R925 VanDerWaalsContact OD1-CZ 3.28Å; D922-R925 IonicContact OD1-NH1 3.03Å; D922-R925 PolarHBondContact OD1-NH1 2.86Å; D922-R925 IonicContact OD1-NH2 3.49Å; D922-R925 PolarHBondContact OD1-NH2 3.42Å; R925-K928 PolarHBondContact O-N 3.3Å; R925-A929 WeakPolarHBondContact O-CB 3.34Å; R925-A929 PolarHBondContact O-N 3.16Å
926	E	98.1	Very high	97.8	Very high	29 Å²	29	44 Å²	44	14%	0.136	22%	0.223	C	C	.	.	H	α-helix	trans	-66.6	-43.3	179.2	-171.5	66.4	-164.6	0	0	112	D922 L923 K928 A929 R930 L1021 F1025	D922-E926 WeakPolarHBondContact O-CB 3.48Å; D922-E926 PolarHBondContact O-N 3.29Å; D922-E926 VanDerWaalsContact O-N 3.08Å; L923-E926 PolarHBondContact O-N 3.37Å; E926-K928 VanDerWaalsContact C-N 3.3Å; E926-K928 PolarHBondContact O-N 3.23Å; E926-A929 PolarHBondContact O-N 2.95Å; E926-A929 VanDerWaalsContact O-N 3.16Å; E926-R930 WeakPolarHBondContact O-CG 3.38Å; E926-R930 PolarHBondContact O-N 3.04Å; E926-R930 IonicContact OE1-CZ 2.84Å; E926-R930 IonicContact OE1-NE 3.99Å; E926-R930 PolarHBondContact OE1-NE 3.45Å; E926-R930 IonicContact OE1-NH2 3.08Å; E926-R930 PolarHBondContact OE1-NH2 3.25Å; E926-L1021 HydrophobicContact CB-CD1 4.44Å; E926-L1021 HydrophobicContact CB-CD2 4.07Å; E926-L1021 HydrophobicContact CG-CB 4.16Å; E926-L1021 HydrophobicContact CG-CD1 4.4Å; E926-L1021 HydrophobicContact CG-CD2 4.26Å; E926-F1025 HydrophobicContact CB-CD2 4.14Å; E926-F1025 HydrophobicContact CB-CE2 3.73Å; E926-F1025 HydrophobicContact CB-CZ 4.5Å; E926-F1025 HydrophobicContact CG-CD2 3.61Å; E926-F1025 HydrophobicContact CG-CE2 3.75Å
927	R	98.1	Very high	97.7	Very high	15 Å²	15	43.8 Å²	43.8	6%	0.057	22%	0.221	C	C	.	.	H	α-helix	trans	-54.9	-46.6	176.2	-175.8	176.9	67.3	178.4	-2.5	111.7	E898 L923 T924 R930 G931 M932 E933 V936 I938 F1025	E898-R927 IonicContact OE1-NH1 3.57Å; E898-R927 IonicContact OE1-NH2 3.93Å; E898-R927 IonicContact OE2-CZ 3.39Å; E898-R927 IonicContact OE2-NH1 2.93Å; E898-R927 PolarHBondContact OE2-NH1 3.48Å; E898-R927 IonicContact OE2-NH2 3.13Å; E898-R927 PolarHBondContact OE2-NH2 2.56Å; L923-R927 VanDerWaalsContact O-CB 3.3Å; L923-R927 WeakPolarHBondContact O-CB 3.42Å; L923-R927 PolarHBondContact O-N 3.13Å; T924-R927 PolarHBondContact O-N 3.45Å; R927-R930 PolarHBondContact O-N 3.42Å; R927-G931 PolarHBondContact O-N 3.03Å; R927-M932 HydrophobicContact CG-CB 4.17Å; R927-M932 PolarHBondContact O-N 2.83Å; R927-E933 HydrophobicContact CG-CG 4.35Å; R927-V936 WeakPolarHBondContact CD-O 3.41Å; R927-V936 PolarHBondContact NH1-O 3.49Å; R927-I938 HydrophobicContact CB-CD1 4.26Å; R927-F1025 HydrophobicContact CB-CD1 4.47Å; R927-F1025 HydrophobicContact CB-CE1 3.5Å; R927-F1025 VanDerWaalsContact CB-CE1 3.5Å; R927-F1025 HydrophobicContact CB-CZ 3.64Å; R927-F1025 HydrophobicContact CG-CE1 3.83Å; R927-F1025 HydrophobicContact CG-CZ 4.45Å
928	K	97.3	Very high	97.8	Very high	146 Å²	146	43.9 Å²	43.9	64%	0.635	22%	0.222	S	C	*	.	H	α-helix	trans	-65.8	-43.2	178.2	-175.7	175.9	-177.6	175.3	0	111.4	T924 R925 E926 R930 G931	T924-K928 WeakPolarHBondContact O-CB 3.37Å; T924-K928 PolarHBondContact O-N 2.82Å; R925-K928 PolarHBondContact O-N 3.3Å; E926-K928 VanDerWaalsContact C-N 3.3Å; E926-K928 PolarHBondContact O-N 3.23Å; K928-R930 PolarHBondContact O-N 3.04Å; K928-G931 PolarHBondContact O-N 3.42Å
929	A	97.8	Very high	97.8	Very high	82 Å²	82	42.8 Å²	42.8	68%	0.678	22%	0.217	S	C	*	.	H	α-helix	trans	-60.2	-30.8	177.5	0	0	0	0	0	112.8	R925 E926	R925-A929 WeakPolarHBondContact O-CB 3.34Å; R925-A929 PolarHBondContact O-N 3.16Å; E926-A929 PolarHBondContact O-N 2.95Å; E926-A929 VanDerWaalsContact O-N 3.16Å
930	R	97.5	Very high	97.9	Very high	86 Å²	86	43.7 Å²	43.7	33%	0.325	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-3	176.4	-62.4	-175.5	-171.4	-148.2	-0.5	114.5	E926 R927 K928 M932 D1022	E926-R930 WeakPolarHBondContact O-CG 3.38Å; E926-R930 PolarHBondContact O-N 3.04Å; E926-R930 IonicContact OE1-CZ 2.84Å; E926-R930 IonicContact OE1-NE 3.99Å; E926-R930 PolarHBondContact OE1-NE 3.45Å; E926-R930 IonicContact OE1-NH2 3.08Å; E926-R930 PolarHBondContact OE1-NH2 3.25Å; R927-R930 PolarHBondContact O-N 3.42Å; K928-R930 PolarHBondContact O-N 3.04Å; R930-M932 VanDerWaalsContact C-N 3.32Å; R930-M932 HydrophobicContact CB-CG 3.8Å; R930-M932 HydrophobicContact CB-SD 3.87Å; R930-M932 PolarHBondContact O-N 2.76Å; R930-D1022 IonicContact CZ-OD1 3.66Å; R930-D1022 IonicContact NH2-OD1 3.85Å; R930-D1022 PolarHBondContact NH2-OD1 3.37Å
931	G	97.3	Very high	97.9	Very high	54 Å²	54	42 Å²	42	56%	0.557	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.7	33.7	-177.3	0	0	0	0	0	113.7	R927 K928	R927-G931 PolarHBondContact O-N 3.03Å; K928-G931 PolarHBondContact O-N 3.42Å
932	M	97.6	Very high	97.9	Very high	22 Å²	22	41.4 Å²	41.4	11%	0.108	21%	0.211	C	C	.	.			trans	-104.9	19.8	-173.2	-62.9	-177.8	78.2	0	0	113.7	R927 R930 E934 Q935 V936 F1025 L1027	R927-M932 HydrophobicContact CG-CB 4.17Å; R927-M932 PolarHBondContact O-N 2.83Å; R930-M932 VanDerWaalsContact C-N 3.32Å; R930-M932 HydrophobicContact CB-CG 3.8Å; R930-M932 HydrophobicContact CB-SD 3.87Å; R930-M932 PolarHBondContact O-N 2.76Å; M932-E934 PolarHBondContact O-N 3.16Å; M932-Q935 PolarHBondContact O-N 3.34Å; M932-Q935 VanDerWaalsContact O-N 3.13Å; M932-V936 HydrophobicContact CB-CG2 4.22Å; M932-V936 HydrophobicContact CE-CG2 3.8Å; M932-V936 PolarHBondContact O-N 3.02Å; M932-F1025 WeakPolarHBondContact CE-O 3.36Å; M932-F1025 HydrophobicContact SD-CB 4.05Å; M932-F1025 HydrophobicContact SD-CD1 4.09Å; M932-F1025 HydrophobicContact SD-CG 4.5Å; M932-L1027 HydrophobicContact CE-CD1 3.85Å; M932-L1027 HydrophobicContact CE-CD2 4.1Å; M932-L1027 HydrophobicContact CE-CG 3.77Å
933	E	97.1	Very high	97.9	Very high	71 Å²	71	40.7 Å²	40.7	33%	0.332	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-25.6	-173	-65.3	170.8	115.8	0	0	114	P901 A902 R927	P901-E933 HydrophobicContact CB-CB 4.44Å; P901-E933 HydrophobicContact CG-CB 4.14Å; A902-E933 VanDerWaalsContact CB-O 3.28Å; A902-E933 WeakPolarHBondContact CB-O 3.46Å; A902-E933 PolarHBondContact N-O 2.81Å; R927-E933 HydrophobicContact CG-CG 4.35Å
934	E	96.6	Very high	97.9	Very high	124 Å²	124	40.7 Å²	40.7	58%	0.579	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-28.8	174.9	-64.4	176.9	-179.1	0	0	113	P901 M932	P901-E934 HydrophobicContact CB-CG 3.89Å; M932-E934 PolarHBondContact O-N 3.16Å
935	Q	97.1	Very high	97.9	Very high	57 Å²	57	39.8 Å²	39.8	27%	0.266	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-21.9	-171.2	-65.7	179.8	53.9	0	0	113.2	K910 R911 M932	K910-Q935 HydrophobicContact CD-CG 4.49Å; K910-Q935 PolarHBondContact N-O 3.37Å; R911-Q935 PolarHBondContact N-O 3.44Å; M932-Q935 PolarHBondContact O-N 3.34Å; M932-Q935 VanDerWaalsContact O-N 3.13Å
936	V	98.3	Very high	97.9	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	115.9	-176	-177.4	0	0	0	0	110.2	R911 L913 R927 M932 F1025 L1027	R911-V936 HydrophobicContact CB-CG2 4.39Å; R911-V936 VanDerWaalsContact O-CA 3.32Å; R911-V936 WeakPolarHBondContact O-CA 3.4Å; L913-V936 HydrophobicContact CD1-CG1 3.79Å; L913-V936 HydrophobicContact CG-CG1 3.78Å; R927-V936 WeakPolarHBondContact CD-O 3.41Å; R927-V936 PolarHBondContact NH1-O 3.49Å; M932-V936 HydrophobicContact CB-CG2 4.22Å; M932-V936 HydrophobicContact CE-CG2 3.8Å; M932-V936 PolarHBondContact O-N 3.02Å; V936-F1025 HydrophobicContact CB-CE1 4.3Å; V936-F1025 HydrophobicContact CG1-CD1 4.35Å; V936-F1025 HydrophobicContact CG1-CE1 3.9Å; V936-F1025 HydrophobicContact CG2-CD1 4.27Å; V936-L1027 HydrophobicContact CG2-CD2 4.42Å
937	A	98.4	Very high	97.9	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	143.7	171.1	0	0	0	0	0	110.4	E898 A902 V909 R911 L912 L913 Y959	E898-A937 HydrophobicContact CB-CB 4.02Å; E898-A937 HydrophobicContact CG-CB 4Å; A902-A937 HydrophobicContact CB-CB 4.04Å; V909-A937 HydrophobicContact CG1-CB 3.91Å; R911-A937 PolarHBondContact O-N 3.12Å; L912-A937 HydrophobicContact CD1-CB 3.67Å; L913-A937 PolarHBondContact N-O 3.42Å; A937-Y959 HydrophobicContact CB-CE1 4.1Å; A937-Y959 HydrophobicContact CB-CE2 4.03Å
938	I	98.6	Very high	97.9	Very high	2 Å²	2	32 Å²	32	1%	0.01	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	120.8	176.5	-56.5	169.3	0	0	0	109	E898 L913 Y920 L923 T924 R927 F1025	E898-I938 PolarHBondContact OE2-N 3.23Å; L913-I938 HydrophobicContact CB-CG1 4.34Å; L913-I938 HydrophobicContact CD1-CG1 4.37Å; L913-I938 WeakPolarHBondContact O-CA 3.39Å; Y920-I938 HydrophobicContact CD2-CG2 3.75Å; Y920-I938 HydrophobicContact CE2-CG2 4.04Å; L923-I938 HydrophobicContact CB-CD1 3.88Å; L923-I938 HydrophobicContact CD1-CG2 4.41Å; T924-I938 HydrophobicContact CG2-CD1 4.05Å; R927-I938 HydrophobicContact CB-CD1 4.26Å; I938-F1025 HydrophobicContact CD1-CZ 4.46Å
939	T	98.6	Very high	97.8	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	133.1	-179.6	-63.5	0	0	0	0	110.7	V895 L913 F914 C915 E955	V895-T939 HydrophobicContact CG1-CG2 3.5Å; L913-T939 PolarHBondContact O-N 3.04Å; F914-T939 WeakPolarHBondContact CA-O 3.26Å; F914-T939 HydrophobicContact CD1-CG2 4.19Å; F914-T939 HydrophobicContact CE1-CG2 4.26Å; C915-T939 PolarHBondContact N-O 3.2Å; T939-E955 HydrophobicContact CG2-CG 3.99Å; T939-E955 PolarHBondContact OG1-OE1 2.99Å
940	R	98.7	Very high	97.8	Very high	21 Å²	21	22.6 Å²	22.6	8%	0.079	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	131.4	-179.5	-67.3	169.1	-86	174.8	-3.6	111	S844 V895 I896 C915 Y920	S844-R940 WeakPolarHBondContact OG-CD 3.32Å; S844-R940 PolarHBondContact OG-NH1 2.91Å; V895-R940 CarbonylContact C-O 3.59Å; V895-R940 VanDerWaalsContact CA-O 3.3Å; V895-R940 WeakPolarHBondContact CA-O 3.22Å; V895-R940 WeakPolarHBondContact CG1-O 3.15Å; I896-R940 HydrophobicContact CB-CB 4.24Å; I896-R940 PolarHBondContact N-O 3.36Å; I896-R940 PolarHBondContact O-N 3.04Å; C915-R940 CarbonylContact O-C 3.59Å; C915-R940 WeakPolarHBondContact O-CA 3.22Å; Y920-R940 VanDerWaalsContact CD2-CD 3.5Å; Y920-R940 HydrophobicContact CD2-CG 3.5Å; Y920-R940 VanDerWaalsContact CD2-CG 3.5Å; Y920-R940 HydrophobicContact CE2-CG 4.1Å; Y920-R940 VanDerWaalsContact CG-CD 3.49Å; Y920-R940 HydrophobicContact CG-CG 3.83Å
941	I	98.8	Very high	97.7	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	108	169.1	-44.8	-171.4	0	0	0	107.2	V895 F914 C915 T916 Q943 L944 P948 L952 W966 V980	V895-I941 HydrophobicContact CG2-CG2 4.48Å; F914-I941 HydrophobicContact CB-CD1 4.37Å; F914-I941 HydrophobicContact CD1-CD1 4.38Å; F914-I941 HydrophobicContact CD1-CG1 4.49Å; C915-I941 PolarHBondContact O-N 3.29Å; T916-I941 WeakPolarHBondContact CB-O 3.28Å; T916-I941 PolarHBondContact OG1-O 3.36Å; I941-Q943 WeakPolarHBondContact CG2-O 3.49Å; I941-L944 HydrophobicContact CB-CD2 3.8Å; I941-L944 HydrophobicContact CG2-CD2 3.46Å; I941-L944 VanDerWaalsContact CG2-CD2 3.46Å; I941-L944 WeakPolarHBondContact O-CD2 3.46Å; I941-P948 HydrophobicContact CG2-CG 3.92Å; I941-L952 HydrophobicContact CD1-CD1 3.84Å; I941-L952 HydrophobicContact CD1-CD2 3.85Å; I941-L952 HydrophobicContact CG1-CD2 4.02Å; I941-W966 HydrophobicContact CD1-CE3 4.44Å; I941-W966 HydrophobicContact CD1-CH2 4.45Å; I941-W966 HydrophobicContact CD1-CZ3 3.63Å; I941-W966 HydrophobicContact CG1-CZ3 4.13Å; I941-V980 HydrophobicContact CD1-CG1 4.46Å
942	E	98.8	Very high	97.7	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.087	C	C	.	.			trans	-91.7	-35.8	-174.6	-61.7	-83.9	127.3	0	0	111.1	V841 N842 C843 S844 N848 F892 Q893 R894 I896	V841-E942 CarbonylContact C-O 3.54Å; V841-E942 WeakPolarHBondContact CA-O 3.4Å; V841-E942 WeakPolarHBondContact CB-O 3.38Å; N842-E942 PolarHBondContact N-O 3.12Å; C843-E942 WeakPolarHBondContact CA-OE2 3.18Å; S844-E942 WeakPolarHBondContact CB-OE1 3.2Å; S844-E942 PolarHBondContact N-OE1 2.83Å; S844-E942 PolarHBondContact N-OE2 3.34Å; S844-E942 PolarHBondContact OG-OE1 2.94Å; N848-E942 VanDerWaalsContact ND2-CB 3.33Å; N848-E942 WeakPolarHBondContact ND2-CB 3.16Å; N848-E942 VanDerWaalsContact ND2-CG 3.25Å; N848-E942 WeakPolarHBondContact ND2-CG 3.44Å; N848-E942 PolarHBondContact ND2-OE2 3.4Å; F892-E942 HydrophobicContact CZ-CB 4.06Å; Q893-E942 WeakPolarHBondContact O-CB 3.07Å; R894-E942 PolarHBondContact O-N 3.33Å; I896-E942 HydrophobicContact CD1-CG 3.71Å; I896-E942 HydrophobicContact CG1-CG 3.82Å
943	Q	98.7	Very high	97.7	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	118.5	170.6	178.7	-179.5	-62.3	0	0	109.9	V841 F892 R894 I941 S945 P946 P948	V841-Q943 HydrophobicContact CG1-CB 4.11Å; V841-Q943 HydrophobicContact CG1-CG 4.24Å; F892-Q943 HydrophobicContact CE1-CB 3.79Å; F892-Q943 HydrophobicContact CZ-CB 4.11Å; R894-Q943 HydrophobicContact CB-CB 4.18Å; R894-Q943 HydrophobicContact CG-CB 4.17Å; R894-Q943 PolarHBondContact O-N 3.45Å; R894-Q943 VanDerWaalsContact O-N 3.09Å; I941-Q943 WeakPolarHBondContact CG2-O 3.49Å; Q943-S945 WeakPolarHBondContact CG-O 3.08Å; Q943-P946 PolarHBondContact NE2-O 2.93Å; Q943-P946 VanDerWaalsContact NE2-O 3.08Å; Q943-P948 VanDerWaalsContact O-CD 3.31Å; Q943-P948 WeakPolarHBondContact O-CD 3.47Å
944	L	98.3	Very high	97.6	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	-37.8	-179.2	-60.9	-143.6	0	0	0	111.9	L810 V840 T916 I941 F947 Y976 Y979 V980	L810-L944 HydrophobicContact CD1-CD1 3.98Å; L810-L944 HydrophobicContact CD2-CB 3.88Å; V840-L944 PolarHBondContact O-N 3.17Å; T916-L944 HydrophobicContact CG2-CD1 4.41Å; I941-L944 HydrophobicContact CB-CD2 3.8Å; I941-L944 HydrophobicContact CG2-CD2 3.46Å; I941-L944 VanDerWaalsContact CG2-CD2 3.46Å; I941-L944 WeakPolarHBondContact O-CD2 3.46Å; L944-F947 VanDerWaalsContact O-CA 3.29Å; L944-F947 WeakPolarHBondContact O-CA 3.42Å; L944-F947 PolarHBondContact O-N 2.96Å; L944-Y976 HydrophobicContact CD1-CD1 3.06Å; L944-Y976 HydrophobicContact CD1-CE1 3.5Å; L944-Y976 VanDerWaalsContact CD1-CE1 3.5Å; L944-Y976 HydrophobicContact CD1-CG 3.81Å; L944-Y976 HydrophobicContact CG-CD1 4.43Å; L944-Y979 WeakPolarHBondContact O-CE1 3.31Å; L944-Y979 PolarHBondContact O-OH 3.24Å; L944-Y979 VanDerWaalsContact O-OH 3.05Å; L944-V980 HydrophobicContact CD1-CG2 4.42Å
945	S	97.9	Very high	97.7	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	131.8	172.2	-174.1	0	0	0	0	109.9	C813 I839 V840 Q943 Y979	C813-S945 WeakPolarHBondContact SG-CB 3.16Å; C813-S945 PolarHBondContact SG-OG 3.25Å; I839-S945 WeakPolarHBondContact CA-O 3.38Å; V840-S945 PolarHBondContact N-O 3.15Å; V840-S945 PolarHBondContact O-N 3.24Å; Q943-S945 WeakPolarHBondContact CG-O 3.08Å; S945-Y979 WeakPolarHBondContact CB-OH 3.22Å
946	P	97.4	Very high	97.6	Very high	6 Å²	6	14.9 Å²	14.9	4%	0.039	7%	0.072	C	C	.	.	S	Bend	cis	-56.3	146.1	-14.2	-24.6	33.8	0	0	0	112.6	Q832 L833 C836 Q943	Q832-P946 HydrophobicContact CB-CB 3.93Å; Q832-P946 HydrophobicContact CB-CG 4.2Å; Q832-P946 HydrophobicContact CG-CB 3.76Å; Q832-P946 HydrophobicContact CG-CG 4Å; Q832-P946 WeakPolarHBondContact O-CG 3.35Å; L833-P946 HydrophobicContact CD2-CG 4.05Å; C836-P946 HydrophobicContact CB-CG 3.69Å; Q943-P946 PolarHBondContact NE2-O 2.93Å; Q943-P946 VanDerWaalsContact NE2-O 3.08Å
947	F	97.9	Very high	97.5	Very high	2 Å²	2	21 Å²	21	1%	0.009	10%	0.101	C	C	.	.			trans	-73.3	129.7	-175.1	-170.1	-102	0	0	0	111.9	Q832 L944 F949 L952 Y979 V980 R983 L984	Q832-F947 PolarHBondContact OE1-O 2.67Å; L944-F947 VanDerWaalsContact O-CA 3.29Å; L944-F947 WeakPolarHBondContact O-CA 3.42Å; L944-F947 PolarHBondContact O-N 2.96Å; F947-F949 VanDerWaalsContact C-N 3.29Å; F947-F949 HydrophobicContact CB-CD2 4.19Å; F947-F949 HydrophobicContact CB-CE2 3.81Å; F947-F949 HydrophobicContact CB-CZ 4.35Å; F947-F949 AromaticContact CD1-CD1 3.9Å; F947-F949 HydrophobicContact CD1-CD1 3.9Å; F947-F949 AromaticContact CD1-CD2 3.83Å; F947-F949 HydrophobicContact CD1-CD2 3.83Å; F947-F949 AromaticContact CD1-CE1 3.81Å; F947-F949 HydrophobicContact CD1-CE1 3.81Å; F947-F949 AromaticContact CD1-CE2 3.75Å; F947-F949 HydrophobicContact CD1-CE2 3.75Å; F947-F949 AromaticContact CD1-CG 3.89Å; F947-F949 HydrophobicContact CD1-CG 3.89Å; F947-F949 AromaticContact CD1-CZ 3.74Å; F947-F949 HydrophobicContact CD1-CZ 3.74Å; F947-F949 HydrophobicContact CE1-CD1 4.24Å; F947-F949 HydrophobicContact CE1-CE1 4.24Å; F947-F949 HydrophobicContact CG-CE2 4.26Å; F947-F949 HydrophobicContact CG-CZ 4.44Å; F947-F949 WeakPolarHBondContact O-CD2 3.26Å; F947-F949 PolarHBondContact O-N 3.37Å; F947-L952 HydrophobicContact CD1-CD1 4.32Å; F947-L952 HydrophobicContact CE1-CD1 3.48Å; F947-L952 VanDerWaalsContact CE1-CD1 3.48Å; F947-L952 HydrophobicContact CE2-CD1 3.85Å; F947-L952 HydrophobicContact CZ-CD1 3.19Å; F947-Y979 HydrophobicContact CD2-CE1 4.04Å; F947-V980 HydrophobicContact CE2-CB 4.48Å; F947-V980 HydrophobicContact CE2-CG1 4.08Å; F947-V980 HydrophobicContact CE2-CG2 4.3Å; F947-V980 HydrophobicContact CZ-CG1 4.36Å; F947-R983 HydrophobicContact CD1-CB 3.63Å; F947-R983 HydrophobicContact CD1-CG 4.36Å; F947-R983 HydrophobicContact CD2-CB 4.21Å; F947-R983 HydrophobicContact CE1-CB 3.55Å; F947-R983 HydrophobicContact CE2-CB 4.16Å; F947-R983 HydrophobicContact CG-CB 3.96Å; F947-R983 HydrophobicContact CG-CG 4.33Å; F947-R983 HydrophobicContact CZ-CB 3.83Å; F947-L984 HydrophobicContact CZ-CD2 3.93Å; F947-L984 HydrophobicContact CZ-CG 3.9Å
948	P	96.9	Very high	97.4	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.116	C	C	.	.			trans	-83.6	64.6	-170.9	33.1	-34.9	0	0	0	113	R894 V895 I941 Q943 D950 L951 L952	R894-P948 HydrophobicContact CB-CB 4.26Å; V895-P948 HydrophobicContact CG2-CB 3.88Å; V895-P948 HydrophobicContact CG2-CG 3.55Å; I941-P948 HydrophobicContact CG2-CG 3.92Å; Q943-P948 VanDerWaalsContact O-CD 3.31Å; Q943-P948 WeakPolarHBondContact O-CD 3.47Å; P948-D950 VanDerWaalsContact C-N 3.29Å; P948-D950 PolarHBondContact O-N 3.41Å; P948-L951 HydrophobicContact CB-CB 4.48Å; P948-L951 PolarHBondContact O-N 3.23Å; P948-L952 HydrophobicContact CG-CD1 3.9Å; P948-L952 HydrophobicContact CG-CG 4.17Å; P948-L952 WeakPolarHBondContact O-CG 3.46Å; P948-L952 PolarHBondContact O-N 2.95Å
949	F	96.8	Very high	97.3	Very high	9 Å²	9	24.4 Å²	24.4	4%	0.039	12%	0.115	C	C	.	.	H	α-helix	trans	-51.5	-45.2	-179.8	-70.9	-85.5	0	0	0	113	L820 P821 L823 F947 L951 L952 L953 R983 T987	L820-F949 HydrophobicContact CD1-CB 4.22Å; L820-F949 HydrophobicContact CD1-CD1 3.71Å; L820-F949 HydrophobicContact CD1-CE1 4.45Å; L820-F949 HydrophobicContact CD1-CG 4.23Å; P821-F949 HydrophobicContact CG-CB 4.32Å; P821-F949 HydrophobicContact CG-CD2 3.72Å; P821-F949 HydrophobicContact CG-CE2 4.28Å; P821-F949 HydrophobicContact CG-CG 4.12Å; L823-F949 HydrophobicContact CD2-CB 3.79Å; F947-F949 VanDerWaalsContact C-N 3.29Å; F947-F949 HydrophobicContact CB-CD2 4.19Å; F947-F949 HydrophobicContact CB-CE2 3.81Å; F947-F949 HydrophobicContact CB-CZ 4.35Å; F947-F949 AromaticContact CD1-CD1 3.9Å; F947-F949 HydrophobicContact CD1-CD1 3.9Å; F947-F949 AromaticContact CD1-CD2 3.83Å; F947-F949 HydrophobicContact CD1-CD2 3.83Å; F947-F949 AromaticContact CD1-CE1 3.81Å; F947-F949 HydrophobicContact CD1-CE1 3.81Å; F947-F949 AromaticContact CD1-CE2 3.75Å; F947-F949 HydrophobicContact CD1-CE2 3.75Å; F947-F949 AromaticContact CD1-CG 3.89Å; F947-F949 HydrophobicContact CD1-CG 3.89Å; F947-F949 AromaticContact CD1-CZ 3.74Å; F947-F949 HydrophobicContact CD1-CZ 3.74Å; F947-F949 HydrophobicContact CE1-CD1 4.24Å; F947-F949 HydrophobicContact CE1-CE1 4.24Å; F947-F949 HydrophobicContact CG-CE2 4.26Å; F947-F949 HydrophobicContact CG-CZ 4.44Å; F947-F949 WeakPolarHBondContact O-CD2 3.26Å; F947-F949 PolarHBondContact O-N 3.37Å; F949-L951 VanDerWaalsContact C-N 3.34Å; F949-L951 PolarHBondContact O-N 3.05Å; F949-L952 PolarHBondContact O-N 3.27Å; F949-L953 WeakPolarHBondContact O-CB 3.41Å; F949-L953 PolarHBondContact O-N 3.02Å; F949-R983 HydrophobicContact CE1-CB 4.16Å; F949-R983 HydrophobicContact CZ-CB 4.1Å; F949-R983 HydrophobicContact CZ-CG 4.11Å; F949-T987 WeakPolarHBondContact CD1-OG1 3.45Å; F949-T987 WeakPolarHBondContact O-CG2 3.37Å
950	D	95.9	Very high	97.2	Very high	21 Å²	21	27.3 Å²	27.3	11%	0.112	13%	0.134	C	C	.	.	H	α-helix	trans	-60.7	-37.8	-177.9	64.3	-48.9	0	0	0	113.6	L823 F828 R894 P948 K954	L823-D950 HydrophobicContact CD2-CB 4.13Å; F828-D950 HydrophobicContact CD1-CB 4.17Å; F828-D950 HydrophobicContact CE1-CB 3.92Å; R894-D950 IonicContact CZ-OD1 2.73Å; R894-D950 IonicContact CZ-OD2 3.21Å; R894-D950 IonicContact NH1-OD1 2.71Å; R894-D950 PolarHBondContact NH1-OD1 3.14Å; R894-D950 IonicContact NH1-OD2 2.79Å; R894-D950 IonicContact NH2-OD1 2.81Å; R894-D950 PolarHBondContact NH2-OD1 3Å; R894-D950 IonicContact NH2-OD2 3.28Å; R894-D950 PolarHBondContact NH2-OD2 3.07Å; P948-D950 VanDerWaalsContact C-N 3.29Å; P948-D950 PolarHBondContact O-N 3.41Å; D950-K954 WeakPolarHBondContact O-CD 3.46Å; D950-K954 WeakPolarHBondContact O-CG 3.49Å
951	L	97.3	Very high	97	Very high	49 Å²	49	31.6 Å²	31.6	26%	0.257	16%	0.159	S	C	.	.	H	α-helix	trans	-84.8	-38.3	-179.1	-60.2	-178.1	0	0	0	111.7	R894 V895 P948 F949 K954 E955	R894-L951 HydrophobicContact CB-CD1 3.87Å; V895-L951 HydrophobicContact CB-CB 4.11Å; V895-L951 HydrophobicContact CB-CD1 4Å; V895-L951 HydrophobicContact CG2-CB 3.88Å; V895-L951 HydrophobicContact CG2-CD1 4.05Å; P948-L951 HydrophobicContact CB-CB 4.48Å; P948-L951 PolarHBondContact O-N 3.23Å; F949-L951 VanDerWaalsContact C-N 3.34Å; F949-L951 PolarHBondContact O-N 3.05Å; L951-K954 PolarHBondContact O-N 3.37Å; L951-E955 PolarHBondContact O-N 2.89Å
952	L	97.2	Very high	96.9	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-72.4	-31.2	-178.8	-65.2	172.5	0	0	0	112.4	V895 F914 I941 F947 P948 F949 E955 A956 L984 T987	V895-L952 HydrophobicContact CG1-CD2 4.2Å; V895-L952 HydrophobicContact CG2-CD2 3.93Å; V895-L952 HydrophobicContact CG2-CG 4.2Å; F914-L952 HydrophobicContact CD1-CD2 4.04Å; F914-L952 HydrophobicContact CE1-CD2 3.76Å; I941-L952 HydrophobicContact CD1-CD1 3.84Å; I941-L952 HydrophobicContact CD1-CD2 3.85Å; I941-L952 HydrophobicContact CG1-CD2 4.02Å; F947-L952 HydrophobicContact CD1-CD1 4.32Å; F947-L952 HydrophobicContact CE1-CD1 3.48Å; F947-L952 VanDerWaalsContact CE1-CD1 3.48Å; F947-L952 HydrophobicContact CE2-CD1 3.85Å; F947-L952 HydrophobicContact CZ-CD1 3.19Å; P948-L952 HydrophobicContact CG-CD1 3.9Å; P948-L952 HydrophobicContact CG-CG 4.17Å; P948-L952 WeakPolarHBondContact O-CG 3.46Å; P948-L952 PolarHBondContact O-N 2.95Å; F949-L952 PolarHBondContact O-N 3.27Å; L952-E955 PolarHBondContact O-N 3.11Å; L952-A956 VanDerWaalsContact O-CB 3.3Å; L952-A956 WeakPolarHBondContact O-CB 3.33Å; L952-A956 PolarHBondContact O-N 2.94Å; L952-L984 HydrophobicContact CB-CD2 4.24Å; L952-L984 HydrophobicContact CD1-CD2 3.83Å; L952-L984 HydrophobicContact CG-CD2 4.46Å; L952-T987 HydrophobicContact CB-CG2 4.26Å
953	L	96.4	Very high	96.7	Very high	38 Å²	38	34 Å²	34	20%	0.199	17%	0.17	C	C	.	.	H	α-helix	trans	-60.7	-49.7	171	179.3	54.2	0	0	0	111	L823 F949 E955 A956 Q957 T987	L823-L953 HydrophobicContact CD1-CD2 3.8Å; F949-L953 WeakPolarHBondContact O-CB 3.41Å; F949-L953 PolarHBondContact O-N 3.02Å; L953-E955 VanDerWaalsContact C-N 3.32Å; L953-E955 PolarHBondContact O-N 2.94Å; L953-A956 PolarHBondContact O-N 3.01Å; L953-Q957 HydrophobicContact CD1-CG 4.15Å; L953-Q957 WeakPolarHBondContact O-CB 3.47Å; L953-Q957 VanDerWaalsContact O-CG 3.27Å; L953-Q957 WeakPolarHBondContact O-CG 3.38Å; L953-Q957 PolarHBondContact O-N 3.35Å; L953-T987 HydrophobicContact CB-CG2 3.69Å; L953-T987 WeakPolarHBondContact CD1-O 3.38Å
954	K	96.3	Very high	96.7	Very high	134 Å²	134	34.2 Å²	34.2	58%	0.583	17%	0.172	S	C	*	.	H	α-helix	trans	-60.2	-43.8	178.3	-68.5	171.1	-173.9	170.7	0	111.3	D950 L951 Q957 K958	D950-K954 WeakPolarHBondContact O-CD 3.46Å; D950-K954 WeakPolarHBondContact O-CG 3.49Å; L951-K954 PolarHBondContact O-N 3.37Å; K954-Q957 PolarHBondContact O-N 3.44Å; K954-K958 PolarHBondContact O-N 3.41Å
955	E	97.1	Very high	96.6	Very high	16 Å²	16	34.2 Å²	34.2	8%	0.075	17%	0.172	C	C	.	.	H	α-helix	trans	-67	-43.5	179.5	-171.1	73.8	168.1	0	0	112.3	P897 E898 L912 F914 T939 L951 L952 L953 Q957 K958 Y959	P897-E955 WeakPolarHBondContact CB-OE1 3.35Å; P897-E955 WeakPolarHBondContact CB-OE2 3.22Å; E898-E955 PolarHBondContact N-OE1 3.26Å; L912-E955 HydrophobicContact CD2-CG 4.26Å; F914-E955 HydrophobicContact CE1-CG 4.35Å; T939-E955 HydrophobicContact CG2-CG 3.99Å; T939-E955 PolarHBondContact OG1-OE1 2.99Å; L951-E955 PolarHBondContact O-N 2.89Å; L952-E955 PolarHBondContact O-N 3.11Å; L953-E955 VanDerWaalsContact C-N 3.32Å; L953-E955 PolarHBondContact O-N 2.94Å; E955-Q957 VanDerWaalsContact C-N 3.3Å; E955-Q957 PolarHBondContact O-N 2.92Å; E955-K958 WeakPolarHBondContact O-CB 3.46Å; E955-K958 PolarHBondContact O-N 3.01Å; E955-Y959 HydrophobicContact CG-CE2 4.43Å; E955-Y959 WeakPolarHBondContact O-CD2 3.24Å
956	A	95.9	Very high	96.7	Very high	13 Å²	13	34.2 Å²	34.2	11%	0.107	17%	0.172	C	C	.	.	H	α-helix	trans	-63.6	-37.3	177.1	0	0	0	0	0	112	L952 L953 K958 Y959 I988	L952-A956 VanDerWaalsContact O-CB 3.3Å; L952-A956 WeakPolarHBondContact O-CB 3.33Å; L952-A956 PolarHBondContact O-N 2.94Å; L953-A956 PolarHBondContact O-N 3.01Å; A956-K958 VanDerWaalsContact C-N 3.34Å; A956-Y959 PolarHBondContact O-N 3.06Å; A956-I988 HydrophobicContact CB-CG2 3.81Å
957	Q	95.8	Very high	96.7	Very high	130 Å²	130	34 Å²	34	61%	0.607	17%	0.17	S	C	*	.	H	α-helix	trans	-69.9	-28.9	176.7	-74	174.9	-11	0	0	113.2	L953 K954 E955 Y959	L953-Q957 HydrophobicContact CD1-CG 4.15Å; L953-Q957 WeakPolarHBondContact O-CB 3.47Å; L953-Q957 VanDerWaalsContact O-CG 3.27Å; L953-Q957 WeakPolarHBondContact O-CG 3.38Å; L953-Q957 PolarHBondContact O-N 3.35Å; K954-Q957 PolarHBondContact O-N 3.44Å; E955-Q957 VanDerWaalsContact C-N 3.3Å; E955-Q957 PolarHBondContact O-N 2.92Å; Q957-Y959 PolarHBondContact O-N 2.95Å
958	K	96.9	Very high	96.7	Very high	72 Å²	72	33.9 Å²	33.9	31%	0.313	17%	0.17	S	C	.	.	H	α-helix	trans	-58.7	-33.1	176.2	-174.8	-179	174.9	-169.9	0	112.1	E898 P906 K954 E955 A956 P960	E898-K958 PolarHBondContact O-NZ 3.13Å; P906-K958 HydrophobicContact CB-CG 4.23Å; P906-K958 WeakPolarHBondContact CB-O 3.38Å; P906-K958 HydrophobicContact CG-CG 4.29Å; K954-K958 PolarHBondContact O-N 3.41Å; E955-K958 WeakPolarHBondContact O-CB 3.46Å; E955-K958 PolarHBondContact O-N 3.01Å; A956-K958 VanDerWaalsContact C-N 3.34Å; K958-P960 VanDerWaalsContact C-CD 3.49Å; K958-P960 WeakPolarHBondContact O-CD 3.26Å
959	Y	97.1	Very high	96.8	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.171	C	C	.	.			trans	-115.4	73.1	-177.3	-53.7	-74.5	0	0	0	111.8	E898 P906 V909 L912 A937 E955 A956 Q957 N961 A962	E898-Y959 WeakPolarHBondContact CB-OH 3.35Å; P906-Y959 HydrophobicContact CB-CD1 3.68Å; P906-Y959 HydrophobicContact CB-CE1 3.82Å; P906-Y959 HydrophobicContact CG-CE1 4.37Å; V909-Y959 HydrophobicContact CB-CD1 3.65Å; V909-Y959 HydrophobicContact CB-CE1 4.3Å; V909-Y959 HydrophobicContact CB-CG 4.38Å; V909-Y959 HydrophobicContact CG1-CD1 3.93Å; V909-Y959 HydrophobicContact CG1-CG 4.32Å; V909-Y959 HydrophobicContact CG2-CD1 3.52Å; V909-Y959 HydrophobicContact CG2-CE1 3.68Å; L912-Y959 HydrophobicContact CD1-CD2 4Å; L912-Y959 HydrophobicContact CD1-CE2 4.02Å; L912-Y959 HydrophobicContact CD2-CD2 3.93Å; L912-Y959 HydrophobicContact CG-CD2 4.43Å; A937-Y959 HydrophobicContact CB-CE1 4.1Å; A937-Y959 HydrophobicContact CB-CE2 4.03Å; E955-Y959 HydrophobicContact CG-CE2 4.43Å; E955-Y959 WeakPolarHBondContact O-CD2 3.24Å; A956-Y959 PolarHBondContact O-N 3.06Å; Q957-Y959 PolarHBondContact O-N 2.95Å; Y959-N961 VanDerWaalsContact C-N 3.26Å; Y959-N961 PolarHBondContact O-N 2.7Å; Y959-A962 PolarHBondContact O-N 2.8Å; Y959-A962 VanDerWaalsContact O-N 3.16Å
960	P	94.8	Very high	96.9	Very high	61 Å²	61	34 Å²	34	40%	0.396	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-23	-169	27.1	-36.5	0	0	0	114.1	K958 K992	K958-P960 VanDerWaalsContact C-CD 3.49Å; K958-P960 WeakPolarHBondContact O-CD 3.26Å; P960-K992 PolarHBondContact O-NZ 2.8Å
961	N	94.6	Very high	97	Very high	111 Å²	111	33.3 Å²	33.3	59%	0.594	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.8	-7.6	179.9	-62.9	-34.2	0	0	0	113.6	N907 Y959	N907-N961 PolarHBondContact O-ND2 3.23Å; Y959-N961 VanDerWaalsContact C-N 3.26Å; Y959-N961 PolarHBondContact O-N 2.7Å
962	A	96.3	Very high	97	Very high	2 Å²	2	34.9 Å²	34.9	2%	0.017	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-76.9	143.7	-173.6	0	0	0	0	0	112.6	V909 K910 L912 Y959 K992	V909-A962 HydrophobicContact CG1-CB 4.09Å; K910-A962 WeakPolarHBondContact O-CA 3.24Å; L912-A962 HydrophobicContact CB-CB 4.17Å; Y959-A962 PolarHBondContact O-N 2.8Å; Y959-A962 VanDerWaalsContact O-N 3.16Å; A962-K992 PolarHBondContact O-NZ 2.89Å; A962-K992 VanDerWaalsContact O-NZ 3.11Å
963	E	96.1	Very high	97	Very high	48 Å²	48	38.3 Å²	38.3	22%	0.224	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	141.1	158.8	-65.6	-179.5	164.9	0	0	109.9	K910 R911 L912	K910-E963 PolarHBondContact O-N 2.9Å; R911-E963 CarbonylContact C-O 3.6Å; R911-E963 WeakPolarHBondContact CA-O 3.3Å; R911-E963 HydrophobicContact CG-CB 4.38Å; R911-E963 IonicContact CZ-OE2 2.95Å; R911-E963 IonicContact NE-OE2 3.83Å; R911-E963 PolarHBondContact NE-OE2 3.11Å; R911-E963 IonicContact NH2-OE2 2.65Å; R911-E963 PolarHBondContact NH2-OE2 2.86Å; L912-E963 PolarHBondContact N-O 3.07Å
964	L	97.3	Very high	97.1	Very high	6 Å²	6	36.9 Å²	36.9	3%	0.031	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	128.9	178.4	-52.7	-175.9	0	0	0	110	L912 F914 I988 V994 W995	L912-L964 HydrophobicContact CB-CD2 3.98Å; L912-L964 HydrophobicContact CD2-CD2 3.96Å; L912-L964 HydrophobicContact CG-CD2 4.44Å; F914-L964 HydrophobicContact CE2-CD2 4.27Å; L964-I988 HydrophobicContact CD1-CD1 3.52Å; L964-I988 HydrophobicContact CD1-CG2 4.35Å; L964-V994 HydrophobicContact CB-CG2 4.47Å; L964-W995 PolarHBondContact O-N 3.41Å
965	A	97.6	Very high	97.2	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	140	174.9	0	0	0	0	0	111.9	L912 L913 F914 W995 F1030	L912-A965 PolarHBondContact O-N 2.86Å; L913-A965 HydrophobicContact CD2-CB 3.82Å; F914-A965 PolarHBondContact N-O 3.27Å; A965-W995 WeakPolarHBondContact CA-O 3.26Å; A965-W995 HydrophobicContact CB-CB 4.1Å; A965-F1030 HydrophobicContact CB-CE2 4.41Å
966	W	98.4	Very high	97.3	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	121.5	167	178	-101.6	0	0	0	109.6	F914 T916 I941 Y976 Y977 V980 W995 A997	F914-W966 HydrophobicContact CB-CE3 3.66Å; F914-W966 HydrophobicContact CB-CZ3 3.96Å; T916-W966 HydrophobicContact CG2-CH2 3.87Å; T916-W966 HydrophobicContact CG2-CZ2 3.97Å; I941-W966 HydrophobicContact CD1-CE3 4.44Å; I941-W966 HydrophobicContact CD1-CH2 4.45Å; I941-W966 HydrophobicContact CD1-CZ3 3.63Å; I941-W966 HydrophobicContact CG1-CZ3 4.13Å; W966-Y976 HydrophobicContact CZ2-CD2 4.05Å; W966-Y976 AromaticContact CZ2-CG 3.92Å; W966-Y976 HydrophobicContact CZ2-CG 3.92Å; W966-Y977 HydrophobicContact CB-CD2 4.29Å; W966-Y977 AromaticContact CD1-CD2 3.71Å; W966-Y977 HydrophobicContact CG-CD2 4.24Å; W966-V980 HydrophobicContact CD2-CB 4.4Å; W966-V980 HydrophobicContact CD2-CG1 4.05Å; W966-V980 HydrophobicContact CE3-CB 4.39Å; W966-V980 HydrophobicContact CE3-CG1 3.64Å; W966-V980 HydrophobicContact CH2-CG2 4.14Å; W966-V980 HydrophobicContact CZ2-CG2 4.29Å; W966-V980 HydrophobicContact CZ3-CG1 3.9Å; W966-V980 HydrophobicContact CZ3-CG2 4.32Å; W966-W995 PolarHBondContact N-O 3.25Å; W966-A997 PolarHBondContact O-N 3.41Å
967	C	98.6	Very high	97.4	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	126.4	177.6	-74.4	0	0	0	0	111	F914 C915 L923 A997	F914-C967 PolarHBondContact O-N 2.94Å; C915-C967 WeakPolarHBondContact CA-O 3.31Å; C915-C967 HydrophobicContact CB-CB 4.32Å; C915-C967 WeakPolarHBondContact CB-O 3.37Å; L923-C967 HydrophobicContact CD1-CB 3.81Å; L923-C967 HydrophobicContact CD2-CB 4.33Å; C967-A997 VanDerWaalsContact CA-O 3.27Å; C967-A997 WeakPolarHBondContact CA-O 3.49Å
968	Q	98.3	Very high	97.4	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	154.7	176.3	77.2	176.1	41.2	0	0	111.5	E970 H971 Q974 Y996 A997 G998	Q968-E970 WeakPolarHBondContact CB-OE2 3.45Å; Q968-E970 PolarHBondContact NE2-O 3.41Å; Q968-H971 PolarHBondContact NE2-O 2.79Å; Q968-H971 VanDerWaalsContact NE2-O 3.13Å; Q968-Q974 PolarHBondContact NE2-O 2.99Å; Q968-Y996 HydrophobicContact CG-CE2 3.92Å; Q968-A997 PolarHBondContact N-O 3.44Å; Q968-G998 VanDerWaalsContact O-CA 3.23Å; Q968-G998 WeakPolarHBondContact O-CA 3.4Å
969	E	97.8	Very high	97.5	Very high	5 Å²	5	26.1 Å²	26.1	2%	0.023	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	-23.1	175.7	61.7	179.3	-164.3	0	0	112.5	G793 M794 K918 V919 R999 F1020	G793-E969 WeakPolarHBondContact CA-OE1 3.37Å; M794-E969 HydrophobicContact CB-CB 4.07Å; M794-E969 HydrophobicContact CB-CG 3.91Å; M794-E969 HydrophobicContact CG-CB 4.08Å; M794-E969 HydrophobicContact CG-CG 3.72Å; M794-E969 PolarHBondContact N-OE1 3.28Å; K918-E969 WeakPolarHBondContact CD-OE1 3.39Å; K918-E969 WeakPolarHBondContact CG-OE1 3.49Å; K918-E969 IonicContact NZ-OE2 3.26Å; K918-E969 PolarHBondContact NZ-OE2 3.14Å; V919-E969 HydrophobicContact CB-CB 4.39Å; V919-E969 HydrophobicContact CB-CG 4.47Å; V919-E969 HydrophobicContact CG2-CB 4.13Å; E969-R999 VanDerWaalsContact O-CD 3.23Å; E969-R999 WeakPolarHBondContact O-CD 3.24Å; E969-R999 WeakPolarHBondContact O-CG 3.41Å; E969-R999 PolarHBondContact O-NH1 3Å; E969-F1020 HydrophobicContact CB-CE1 4.48Å; E969-F1020 HydrophobicContact CB-CZ 4.42Å
970	E	98.5	Very high	97.5	Very high	5 Å²	5	26.1 Å²	26.1	2%	0.023	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	155.9	178.7	-54.7	70.9	-152.3	0	0	111.6	H792 M794 Q968 Q974 Y996	H792-E970 IonicContact CE1-OE1 3.34Å; H792-E970 PolarHBondContact CE1-OE1 2.91Å; H792-E970 IonicContact NE2-OE1 3.45Å; H792-E970 PolarHBondContact NE2-OE1 3.24Å; M794-E970 HydrophobicContact CE-CB 4.21Å; M794-E970 HydrophobicContact CE-CG 3.97Å; Q968-E970 WeakPolarHBondContact CB-OE2 3.45Å; Q968-E970 PolarHBondContact NE2-O 3.41Å; E970-Q974 HydrophobicContact CB-CB 4.3Å; E970-Y996 PolarHBondContact O-OH 2.9Å
971	H	98.3	Very high	97.6	Very high	7 Å²	7	26.5 Å²	26.5	3%	0.032	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.2	147.5	171.5	-65.5	91.2	0	0	0	110.9	Q968 N973 Q974 D1000 A1002 P1005	Q968-H971 PolarHBondContact NE2-O 2.79Å; Q968-H971 VanDerWaalsContact NE2-O 3.13Å; H971-N973 PolarHBondContact O-N 2.8Å; H971-N973 VanDerWaalsContact O-N 3.09Å; H971-Q974 HydrophobicContact CB-CB 4.42Å; H971-Q974 HydrophobicContact CB-CG 4.28Å; H971-Q974 CarbonylContact O-C 3.52Å; H971-Q974 WeakPolarHBondContact O-CA 3.48Å; H971-Q974 WeakPolarHBondContact O-CB 3.17Å; H971-Q974 PolarHBondContact O-N 3.28Å; H971-D1000 WeakPolarHBondContact CA-O 3.47Å; H971-D1000 WeakPolarHBondContact CB-O 3.31Å; H971-D1000 PolarHBondContact CD2-O 3.02Å; H971-A1002 HydrophobicContact CB-CB 4.24Å; H971-A1002 WeakPolarHBondContact CD2-CB 3.43Å; H971-A1002 WeakPolarHBondContact NE2-CB 3.42Å; H971-P1005 PolarHBondContact CE1-O 3.11Å; H971-P1005 PolarHBondContact ND1-O 3.23Å
972	K	98.1	Very high	97.7	Very high	82 Å²	82	22.9 Å²	22.9	36%	0.357	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-31.9	-173.1	-174.5	176	-178.5	178.2	0	115.2	Q974 Y977 Y996 R999 D1000 P1001	K972-Q974 VanDerWaalsContact C-N 3.28Å; K972-Y977 HydrophobicContact CG-CD1 4Å; K972-Y977 HydrophobicContact CG-CE1 4.24Å; K972-Y996 VanDerWaalsContact CA-OH 3.24Å; K972-Y996 WeakPolarHBondContact CA-OH 3.39Å; K972-Y996 HydrophobicContact CB-CE1 3.71Å; K972-Y996 HydrophobicContact CB-CE2 4.3Å; K972-Y996 HydrophobicContact CD-CD1 3.9Å; K972-Y996 HydrophobicContact CD-CE1 3.89Å; K972-Y996 HydrophobicContact CD-CG 4.43Å; K972-Y996 HydrophobicContact CG-CD1 4.11Å; K972-Y996 HydrophobicContact CG-CD2 4.44Å; K972-Y996 HydrophobicContact CG-CE1 3.79Å; K972-Y996 HydrophobicContact CG-CE2 4.13Å; K972-Y996 HydrophobicContact CG-CG 4.42Å; K972-Y996 PolarHBondContact N-OH 3.36Å; K972-R999 PolarHBondContact N-O 3.32Å; K972-D1000 PolarHBondContact N-O 3.09Å; K972-P1001 HydrophobicContact CB-CG 4.06Å; K972-P1001 HydrophobicContact CD-CG 4.41Å
973	N	97.9	Very high	97.8	Very high	73 Å²	73	23.4 Å²	23.4	39%	0.39	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	11.5	176.9	66.8	-48.1	0	0	0	113.6	H971 P1001 A1002	H971-N973 PolarHBondContact O-N 2.8Å; H971-N973 VanDerWaalsContact O-N 3.09Å; N973-P1001 HydrophobicContact CB-CB 4.3Å; N973-P1001 VanDerWaalsContact OD1-CA 3.27Å; N973-P1001 WeakPolarHBondContact OD1-CA 3.35Å; N973-A1002 PolarHBondContact ND2-O 2.88Å; N973-A1002 PolarHBondContact OD1-N 3.46Å; N973-A1002 PolarHBondContact OD1-O 3.43Å
974	Q	98.4	Very high	97.9	Very high	8 Å²	8	21.4 Å²	21.4	4%	0.037	11%	0.106	C	C	.	.	S	Bend	trans	-136.7	-178	-179.3	-58.5	172.8	21.9	0	0	108	Q968 E970 H971 K972 Y976 A1002 A1004 P1005	Q968-Q974 PolarHBondContact NE2-O 2.99Å; E970-Q974 HydrophobicContact CB-CB 4.3Å; H971-Q974 HydrophobicContact CB-CB 4.42Å; H971-Q974 HydrophobicContact CB-CG 4.28Å; H971-Q974 CarbonylContact O-C 3.52Å; H971-Q974 WeakPolarHBondContact O-CA 3.48Å; H971-Q974 WeakPolarHBondContact O-CB 3.17Å; H971-Q974 PolarHBondContact O-N 3.28Å; K972-Q974 VanDerWaalsContact C-N 3.28Å; Q974-Y976 PolarHBondContact O-N 3.28Å; Q974-A1002 PolarHBondContact NE2-O 2.94Å; Q974-A1002 VanDerWaalsContact NE2-O 3.1Å; Q974-A1004 PolarHBondContact NE2-O 3.07Å; Q974-P1005 PolarHBondContact OE1-O 3.1Å
975	G	97.6	Very high	97.9	Very high	2 Å²	2	25.3 Å²	25.3	2%	0.021	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.1	-129	177	0	0	0	0	0	110.9	E807	E807-G975 WeakPolarHBondContact CA-O 3.2Å; E807-G975 VanDerWaalsContact CB-O 3.3Å; E807-G975 WeakPolarHBondContact CB-O 3.43Å; E807-G975 PolarHBondContact N-O 3.42Å; E807-G975 PolarHBondContact OE2-N 2.88Å
976	Y	98.3	Very high	97.8	Very high	1 Å²	1	26 Å²	26	0%	0.004	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.6	-18.2	-161.4	-55.4	-69.1	0	0	0	112.9	H792 P806 L810 N842 F868 T916 L944 W966 Q974 D978 Y979 V980	H792-Y976 PolarHBondContact CD2-OH 3.36Å; H792-Y976 PolarHBondContact NE2-OH 2.9Å; P806-Y976 HydrophobicContact CB-CD1 3.98Å; P806-Y976 HydrophobicContact CB-CE1 3.29Å; P806-Y976 HydrophobicContact CG-CD1 4.27Å; P806-Y976 HydrophobicContact CG-CE1 3.71Å; P806-Y976 HydrophobicContact CG-CE2 4.2Å; L810-Y976 HydrophobicContact CD1-CD1 3.53Å; L810-Y976 HydrophobicContact CD1-CE1 4.13Å; N842-Y976 PolarHBondContact ND2-OH 3.42Å; F868-Y976 HydrophobicContact CD2-CE1 4.34Å; F868-Y976 HydrophobicContact CE2-CE1 4.23Å; T916-Y976 HydrophobicContact CG2-CD1 4.21Å; T916-Y976 HydrophobicContact CG2-CD2 3.39Å; T916-Y976 HydrophobicContact CG2-CE1 4.12Å; T916-Y976 HydrophobicContact CG2-CE2 3.32Å; T916-Y976 HydrophobicContact CG2-CG 3.84Å; L944-Y976 HydrophobicContact CD1-CD1 3.06Å; L944-Y976 HydrophobicContact CD1-CE1 3.5Å; L944-Y976 VanDerWaalsContact CD1-CE1 3.5Å; L944-Y976 HydrophobicContact CD1-CG 3.81Å; L944-Y976 HydrophobicContact CG-CD1 4.43Å; W966-Y976 HydrophobicContact CZ2-CD2 4.05Å; W966-Y976 AromaticContact CZ2-CG 3.92Å; W966-Y976 HydrophobicContact CZ2-CG 3.92Å; Q974-Y976 PolarHBondContact O-N 3.28Å; Y976-D978 PolarHBondContact O-N 2.77Å; Y976-Y979 PolarHBondContact O-N 3.01Å; Y976-Y979 VanDerWaalsContact O-N 3.15Å; Y976-V980 WeakPolarHBondContact O-CB 3.48Å; Y976-V980 WeakPolarHBondContact O-CG2 3.25Å; Y976-V980 PolarHBondContact O-N 3.45Å
977	Y	97.8	Very high	97.7	Very high	11 Å²	11	26.3 Å²	26.3	4%	0.043	13%	0.126	C	C	.	.	H	α-helix	trans	-55.9	-50.3	-166.9	179	-117.9	0	0	0	113.8	W966 K972 Y979 V980 K981 Y996	W966-Y977 HydrophobicContact CB-CD2 4.29Å; W966-Y977 AromaticContact CD1-CD2 3.71Å; W966-Y977 HydrophobicContact CG-CD2 4.24Å; K972-Y977 HydrophobicContact CG-CD1 4Å; K972-Y977 HydrophobicContact CG-CE1 4.24Å; Y977-Y979 PolarHBondContact O-N 2.96Å; Y977-V980 PolarHBondContact O-N 3Å; Y977-K981 HydrophobicContact CD2-CB 4.21Å; Y977-K981 HydrophobicContact CE1-CD 4.13Å; Y977-K981 HydrophobicContact CE2-CB 4Å; Y977-K981 HydrophobicContact CE2-CD 3.97Å; Y977-K981 HydrophobicContact CE2-CG 4.15Å; Y977-K981 WeakPolarHBondContact O-CB 3.47Å; Y977-K981 PolarHBondContact O-N 2.89Å; Y977-K981 WeakPolarHBondContact OH-CD 3.4Å; Y977-K981 WeakPolarHBondContact OH-CE 3.28Å; Y977-K981 PolarHBondContact OH-NZ 3.43Å; Y977-Y996 HydrophobicContact CD1-CD2 4.01Å; Y977-Y996 HydrophobicContact CD1-CE2 4.37Å; Y977-Y996 AromaticContact CD2-CD2 3.41Å; Y977-Y996 HydrophobicContact CD2-CD2 3.41Å; Y977-Y996 VanDerWaalsContact CD2-CD2 3.41Å; Y977-Y996 HydrophobicContact CD2-CE2 4.14Å; Y977-Y996 HydrophobicContact CD2-CG 4.27Å; Y977-Y996 HydrophobicContact CE1-CD2 4.24Å; Y977-Y996 HydrophobicContact CE1-CG 4.47Å; Y977-Y996 AromaticContact CE2-CD2 3.65Å; Y977-Y996 HydrophobicContact CE2-CD2 3.65Å; Y977-Y996 HydrophobicContact CE2-CG 4.07Å; Y977-Y996 AromaticContact CG-CD2 3.57Å; Y977-Y996 HydrophobicContact CG-CD2 3.57Å; Y977-Y996 AromaticContact CG-CE2 3.91Å; Y977-Y996 HydrophobicContact CG-CE2 3.91Å
978	D	97	Very high	97.6	Very high	109 Å²	109	27.3 Å²	27.3	58%	0.583	13%	0.131	S	C	*	.	H	α-helix	trans	-68.9	-24.7	-175.8	-72.5	-25	0	0	0	112.7	Y976 P982	Y976-D978 PolarHBondContact O-N 2.77Å; D978-P982 WeakPolarHBondContact O-CD 3.4Å; D978-P982 WeakPolarHBondContact O-CG 3.3Å
979	Y	98.2	Very high	97.5	Very high	17 Å²	17	34 Å²	34	7%	0.067	17%	0.167	C	C	.	.	H	α-helix	trans	-80.3	-47.8	173.3	176.8	-88.8	0	0	0	112	L810 C813 D815 L944 S945 F947 Y976 Y977 P982 R983	L810-Y979 HydrophobicContact CB-CD1 4.44Å; L810-Y979 HydrophobicContact CB-CD2 3.58Å; L810-Y979 HydrophobicContact CB-CE2 4.15Å; L810-Y979 HydrophobicContact CB-CG 3.73Å; L810-Y979 HydrophobicContact CD1-CD1 4.28Å; L810-Y979 HydrophobicContact CD1-CG 4.19Å; L810-Y979 HydrophobicContact CD2-CD1 3.93Å; L810-Y979 HydrophobicContact CD2-CD2 4.12Å; L810-Y979 HydrophobicContact CD2-CE1 3.85Å; L810-Y979 HydrophobicContact CD2-CE2 4Å; L810-Y979 HydrophobicContact CD2-CG 4.06Å; L810-Y979 HydrophobicContact CG-CD1 4.44Å; L810-Y979 HydrophobicContact CG-CD2 4.34Å; L810-Y979 HydrophobicContact CG-CG 4.2Å; L810-Y979 VanDerWaalsContact O-CD2 3.3Å; L810-Y979 WeakPolarHBondContact O-CD2 3.35Å; L810-Y979 WeakPolarHBondContact O-CE2 3.5Å; C813-Y979 HydrophobicContact CB-CE2 3.97Å; D815-Y979 PolarHBondContact OD1-OH 3.33Å; D815-Y979 PolarHBondContact OD2-OH 2.9Å; L944-Y979 WeakPolarHBondContact O-CE1 3.31Å; L944-Y979 PolarHBondContact O-OH 3.24Å; L944-Y979 VanDerWaalsContact O-OH 3.05Å; S945-Y979 WeakPolarHBondContact CB-OH 3.22Å; F947-Y979 HydrophobicContact CD2-CE1 4.04Å; Y976-Y979 PolarHBondContact O-N 3.01Å; Y976-Y979 VanDerWaalsContact O-N 3.15Å; Y977-Y979 PolarHBondContact O-N 2.96Å; Y979-P982 WeakPolarHBondContact O-CD 3.4Å; Y979-R983 VanDerWaalsContact CD2-CZ 3.43Å; Y979-R983 VanDerWaalsContact CD2-NH1 3.29Å; Y979-R983 VanDerWaalsContact CZ-NE 3.25Å; Y979-R983 WeakPolarHBondContact O-CD 3.11Å; Y979-R983 PolarHBondContact O-NH1 3.18Å
980	V	97.9	Very high	97.3	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-75.7	-40.4	-172.2	172.5	0	0	0	0	112.2	I941 L944 F947 W966 Y976 Y977 R983 L984	I941-V980 HydrophobicContact CD1-CG1 4.46Å; L944-V980 HydrophobicContact CD1-CG2 4.42Å; F947-V980 HydrophobicContact CE2-CB 4.48Å; F947-V980 HydrophobicContact CE2-CG1 4.08Å; F947-V980 HydrophobicContact CE2-CG2 4.3Å; F947-V980 HydrophobicContact CZ-CG1 4.36Å; W966-V980 HydrophobicContact CD2-CB 4.4Å; W966-V980 HydrophobicContact CD2-CG1 4.05Å; W966-V980 HydrophobicContact CE3-CB 4.39Å; W966-V980 HydrophobicContact CE3-CG1 3.64Å; W966-V980 HydrophobicContact CH2-CG2 4.14Å; W966-V980 HydrophobicContact CZ2-CG2 4.29Å; W966-V980 HydrophobicContact CZ3-CG1 3.9Å; W966-V980 HydrophobicContact CZ3-CG2 4.32Å; Y976-V980 WeakPolarHBondContact O-CB 3.48Å; Y976-V980 WeakPolarHBondContact O-CG2 3.25Å; Y976-V980 PolarHBondContact O-N 3.45Å; Y977-V980 PolarHBondContact O-N 3Å; V980-R983 PolarHBondContact O-N 2.77Å; V980-L984 HydrophobicContact CG1-CD1 3.51Å; V980-L984 HydrophobicContact CG1-CG 3.75Å; V980-L984 WeakPolarHBondContact O-CB 3.35Å; V980-L984 PolarHBondContact O-N 2.81Å
981	K	97	Very high	97.1	Very high	68 Å²	68	43.3 Å²	43.3	30%	0.296	22%	0.22	S	C	.	.	H	α-helix	trans	-55	-54.5	-175.2	179.8	-162.7	-171.2	168.5	0	113.5	Y977 R983 R985	Y977-K981 HydrophobicContact CD2-CB 4.21Å; Y977-K981 HydrophobicContact CE1-CD 4.13Å; Y977-K981 HydrophobicContact CE2-CB 4Å; Y977-K981 HydrophobicContact CE2-CD 3.97Å; Y977-K981 HydrophobicContact CE2-CG 4.15Å; Y977-K981 WeakPolarHBondContact O-CB 3.47Å; Y977-K981 PolarHBondContact O-N 2.89Å; Y977-K981 WeakPolarHBondContact OH-CD 3.4Å; Y977-K981 WeakPolarHBondContact OH-CE 3.28Å; Y977-K981 PolarHBondContact OH-NZ 3.43Å; K981-R983 VanDerWaalsContact C-N 3.33Å; K981-R983 PolarHBondContact O-N 3.46Å; K981-R985 VanDerWaalsContact O-CG 3.31Å; K981-R985 WeakPolarHBondContact O-CG 3.27Å; K981-R985 PolarHBondContact O-N 2.97Å
982	P	97.3	Very high	96.7	Very high	35 Å²	35	46.3 Å²	46.3	23%	0.227	23%	0.232	C	C	.	.	H	α-helix	trans	-65	-39.3	-177.4	28.5	-36.6	0	0	0	111.3	P817 D978 Y979 R985 T986	P817-P982 HydrophobicContact CB-CB 3.94Å; P817-P982 HydrophobicContact CB-CG 3.89Å; D978-P982 WeakPolarHBondContact O-CD 3.4Å; D978-P982 WeakPolarHBondContact O-CG 3.3Å; Y979-P982 WeakPolarHBondContact O-CD 3.4Å; P982-R985 WeakPolarHBondContact O-CB 3.4Å; P982-R985 PolarHBondContact O-N 3.32Å; P982-T986 PolarHBondContact O-N 2.69Å; P982-T986 PolarHBondContact O-OG1 2.99Å; P982-T986 VanDerWaalsContact O-OG1 3.11Å
983	R	97.8	Very high	96.5	Very high	14 Å²	14	45.3 Å²	45.3	5%	0.053	23%	0.234	C	C	.	.	H	α-helix	trans	-63.8	-44.6	177.6	-67.5	169.9	173.6	68.4	6.1	113.3	D815 P817 F947 F949 Y979 V980 K981 R985 T986 T987	D815-R983 PolarHBondContact O-NH2 3.28Å; D815-R983 IonicContact OD1-CZ 2.74Å; D815-R983 IonicContact OD1-NE 3.38Å; D815-R983 IonicContact OD1-NH2 3.02Å; D815-R983 PolarHBondContact OD1-NH2 2.8Å; D815-R983 IonicContact OD2-CZ 3.65Å; D815-R983 VanDerWaalsContact OD2-CZ 3.29Å; D815-R983 IonicContact OD2-NE 3.49Å; D815-R983 PolarHBondContact OD2-NE 3.05Å; D815-R983 IonicContact OD2-NH2 3.99Å; D815-R983 PolarHBondContact OD2-NH2 3.2Å; P817-R983 HydrophobicContact CB-CG 3.9Å; F947-R983 HydrophobicContact CD1-CB 3.63Å; F947-R983 HydrophobicContact CD1-CG 4.36Å; F947-R983 HydrophobicContact CD2-CB 4.21Å; F947-R983 HydrophobicContact CE1-CB 3.55Å; F947-R983 HydrophobicContact CE2-CB 4.16Å; F947-R983 HydrophobicContact CG-CB 3.96Å; F947-R983 HydrophobicContact CG-CG 4.33Å; F947-R983 HydrophobicContact CZ-CB 3.83Å; F949-R983 HydrophobicContact CE1-CB 4.16Å; F949-R983 HydrophobicContact CZ-CB 4.1Å; F949-R983 HydrophobicContact CZ-CG 4.11Å; Y979-R983 VanDerWaalsContact CD2-CZ 3.43Å; Y979-R983 VanDerWaalsContact CD2-NH1 3.29Å; Y979-R983 VanDerWaalsContact CZ-NE 3.25Å; Y979-R983 WeakPolarHBondContact O-CD 3.11Å; Y979-R983 PolarHBondContact O-NH1 3.18Å; V980-R983 PolarHBondContact O-N 2.77Å; K981-R983 VanDerWaalsContact C-N 3.33Å; K981-R983 PolarHBondContact O-N 3.46Å; R983-R985 VanDerWaalsContact C-N 3.31Å; R983-R985 PolarHBondContact O-N 2.93Å; R983-T986 PolarHBondContact O-N 3.16Å; R983-T987 PolarHBondContact O-N 3.03Å; R983-T987 PolarHBondContact O-OG1 3.13Å
984	L	97.1	Very high	96.4	Very high	5 Å²	5	42.2 Å²	42.2	3%	0.026	22%	0.218	C	C	.	.	H	α-helix	trans	-60.3	-41.9	172.8	-83.9	-179.7	0	0	0	111.5	F914 F947 L952 V980 T986 T987 I988 V994	F914-L984 HydrophobicContact CD2-CD1 4.03Å; F914-L984 HydrophobicContact CE2-CD1 4.48Å; F914-L984 HydrophobicContact CE2-CD2 4.45Å; F914-L984 HydrophobicContact CG-CD1 4.43Å; F947-L984 HydrophobicContact CZ-CD2 3.93Å; F947-L984 HydrophobicContact CZ-CG 3.9Å; L952-L984 HydrophobicContact CB-CD2 4.24Å; L952-L984 HydrophobicContact CD1-CD2 3.83Å; L952-L984 HydrophobicContact CG-CD2 4.46Å; V980-L984 HydrophobicContact CG1-CD1 3.51Å; V980-L984 HydrophobicContact CG1-CG 3.75Å; V980-L984 WeakPolarHBondContact O-CB 3.35Å; V980-L984 PolarHBondContact O-N 2.81Å; L984-T986 VanDerWaalsContact C-N 3.34Å; L984-T987 WeakPolarHBondContact O-CB 3.05Å; L984-T987 PolarHBondContact O-N 2.73Å; L984-I988 WeakPolarHBondContact O-CG1 3.26Å; L984-I988 PolarHBondContact O-N 3.23Å; L984-V994 HydrophobicContact CB-CG2 4.15Å; L984-V994 HydrophobicContact CD1-CG1 3.99Å
985	R	97.2	Very high	96.3	Very high	88 Å²	88	43.9 Å²	43.9	33%	0.332	22%	0.224	S	C	.	.	H	α-helix	trans	-63.3	-40.8	177.1	-74.5	-174.2	73.5	-172.7	4.8	111.7	K981 P982 R983 D989 R990 V994	K981-R985 VanDerWaalsContact O-CG 3.31Å; K981-R985 WeakPolarHBondContact O-CG 3.27Å; K981-R985 PolarHBondContact O-N 2.97Å; P982-R985 WeakPolarHBondContact O-CB 3.4Å; P982-R985 PolarHBondContact O-N 3.32Å; R983-R985 VanDerWaalsContact C-N 3.31Å; R983-R985 PolarHBondContact O-N 2.93Å; R985-D989 PolarHBondContact O-N 2.94Å; R985-R990 HydrophobicContact CB-CG 4.32Å; R985-R990 WeakPolarHBondContact O-CA 3.4Å; R985-R990 PolarHBondContact O-N 2.81Å; R985-V994 HydrophobicContact CG-CB 4.4Å; R985-V994 HydrophobicContact CG-CG2 3.93Å
986	T	97.1	Very high	96.3	Very high	16 Å²	16	45.1 Å²	45.1	10%	0.098	23%	0.228	C	C	.	.	H	α-helix	trans	-64.8	-41.5	174.1	-59.9	0	0	0	0	111.3	P817 L820 P982 R983 L984 I988 D989	P817-T986 WeakPolarHBondContact O-CB 3.17Å; P817-T986 PolarHBondContact O-OG1 3.44Å; L820-T986 HydrophobicContact CB-CG2 4.22Å; P982-T986 PolarHBondContact O-N 2.69Å; P982-T986 PolarHBondContact O-OG1 2.99Å; P982-T986 VanDerWaalsContact O-OG1 3.11Å; R983-T986 PolarHBondContact O-N 3.16Å; L984-T986 VanDerWaalsContact C-N 3.34Å; T986-I988 VanDerWaalsContact C-N 3.28Å; T986-I988 PolarHBondContact O-N 3.07Å; T986-D989 PolarHBondContact O-N 3.25Å; T986-D989 VanDerWaalsContact O-N 3.11Å
987	T	96.5	Very high	96.3	Very high	5 Å²	5	45.1 Å²	45.1	3%	0.031	23%	0.228	C	C	.	.	H	α-helix	trans	-55.3	-42.6	178.5	-54.4	0	0	0	0	112	F949 L952 L953 R983 L984	F949-T987 WeakPolarHBondContact CD1-OG1 3.45Å; F949-T987 WeakPolarHBondContact O-CG2 3.37Å; L952-T987 HydrophobicContact CB-CG2 4.26Å; L953-T987 HydrophobicContact CB-CG2 3.69Å; L953-T987 WeakPolarHBondContact CD1-O 3.38Å; R983-T987 PolarHBondContact O-N 3.03Å; R983-T987 PolarHBondContact O-OG1 3.13Å; L984-T987 WeakPolarHBondContact O-CB 3.05Å; L984-T987 PolarHBondContact O-N 2.73Å
988	I	95.4	Very high	96.3	Very high	22 Å²	22	45 Å²	45	11%	0.113	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	17.3	-177.3	68.4	-177.1	0	0	0	113.6	A956 L964 L984 T986 R990 A991 K992 V994	A956-I988 HydrophobicContact CB-CG2 3.81Å; L964-I988 HydrophobicContact CD1-CD1 3.52Å; L964-I988 HydrophobicContact CD1-CG2 4.35Å; L984-I988 WeakPolarHBondContact O-CG1 3.26Å; L984-I988 PolarHBondContact O-N 3.23Å; T986-I988 VanDerWaalsContact C-N 3.28Å; T986-I988 PolarHBondContact O-N 3.07Å; I988-R990 PolarHBondContact O-N 3.05Å; I988-R990 VanDerWaalsContact O-N 3.07Å; I988-A991 WeakPolarHBondContact O-CB 3.47Å; I988-A991 PolarHBondContact O-N 3.38Å; I988-K992 HydrophobicContact CD1-CB 4.37Å; I988-V994 HydrophobicContact CD1-CG2 4.14Å
989	D	95.4	Very high	96.3	Very high	142 Å²	142	40 Å²	40	76%	0.759	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.5	37.5	-174.8	-169.3	30.5	0	0	0	113.2	R985 T986 A991	R985-D989 PolarHBondContact O-N 2.94Å; T986-D989 PolarHBondContact O-N 3.25Å; T986-D989 VanDerWaalsContact O-N 3.11Å; D989-A991 PolarHBondContact O-N 2.89Å
990	R	94.8	Very high	96.2	Very high	123 Å²	123	43.2 Å²	43.2	46%	0.464	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	20.3	-179.2	-54.4	176.8	176.5	-121	-6.7	113.6	D818 R985 I988 K992	D818-R990 IonicContact OD1-NH2 2.9Å; D818-R990 PolarHBondContact OD1-NH2 2.96Å; R985-R990 HydrophobicContact CB-CG 4.32Å; R985-R990 WeakPolarHBondContact O-CA 3.4Å; R985-R990 PolarHBondContact O-N 2.81Å; I988-R990 PolarHBondContact O-N 3.05Å; I988-R990 VanDerWaalsContact O-N 3.07Å; R990-K992 PolarHBondContact O-N 3.49Å; R990-K992 VanDerWaalsContact O-N 3.1Å
991	A	93	Very high	96.2	Very high	82 Å²	82	47.2 Å²	47.2	68%	0.678	25%	0.248	S	C	*	.			trans	-60.3	-25.8	-175	0	0	0	0	0	113.3	I988 D989	I988-A991 WeakPolarHBondContact O-CB 3.47Å; I988-A991 PolarHBondContact O-N 3.38Å; D989-A991 PolarHBondContact O-N 2.89Å
992	K	91.1	Very high	96.2	Very high	69 Å²	69	45.4 Å²	45.4	30%	0.3	25%	0.245	S	C	.	.	S	Bend	trans	-141.4	155	178.9	-60.5	-177.4	177.5	-179.4	0	111.3	P960 A962 I988 R990	P960-K992 PolarHBondContact O-NZ 2.8Å; A962-K992 PolarHBondContact O-NZ 2.89Å; A962-K992 VanDerWaalsContact O-NZ 3.11Å; I988-K992 HydrophobicContact CD1-CB 4.37Å; R990-K992 PolarHBondContact O-N 3.49Å; R990-K992 VanDerWaalsContact O-N 3.1Å
993	P	93.9	Very high	96.2	Very high	61 Å²	61	48.5 Å²	48.5	40%	0.396	27%	0.274	S	S	.	.			trans	-65.4	148.3	168.4	28.2	-33.7	0	0	0	111.2	W995	P993-W995 HydrophobicContact CB-CD2 4.37Å; P993-W995 HydrophobicContact CB-CH2 4.21Å; P993-W995 HydrophobicContact CB-CZ2 3.72Å; P993-W995 HydrophobicContact CG-CH2 4.4Å; P993-W995 HydrophobicContact CG-CZ2 3.52Å
994	V	95.8	Very high	96.2	Very high	8 Å²	8	50.1 Å²	50.1	5%	0.048	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	107.8	168.6	-179.1	0	0	0	0	107.6	L964 L984 R985 I988	L964-V994 HydrophobicContact CB-CG2 4.47Å; L984-V994 HydrophobicContact CB-CG2 4.15Å; L984-V994 HydrophobicContact CD1-CG1 3.99Å; R985-V994 HydrophobicContact CG-CB 4.4Å; R985-V994 HydrophobicContact CG-CG2 3.93Å; I988-V994 HydrophobicContact CD1-CG2 4.14Å
995	W	96.9	Very high	96.2	Very high	43 Å²	43	50.3 Å²	50.3	16%	0.163	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	163.3	-175.9	-60.6	114.1	0	0	0	112.4	L964 A965 W966 P993 F1030 F1033	L964-W995 PolarHBondContact O-N 3.41Å; A965-W995 WeakPolarHBondContact CA-O 3.26Å; A965-W995 HydrophobicContact CB-CB 4.1Å; W966-W995 PolarHBondContact N-O 3.25Å; P993-W995 HydrophobicContact CB-CD2 4.37Å; P993-W995 HydrophobicContact CB-CH2 4.21Å; P993-W995 HydrophobicContact CB-CZ2 3.72Å; P993-W995 HydrophobicContact CG-CH2 4.4Å; P993-W995 HydrophobicContact CG-CZ2 3.52Å; W995-F1030 HydrophobicContact CB-CD1 3.96Å; W995-F1030 HydrophobicContact CB-CD2 3.7Å; W995-F1030 HydrophobicContact CB-CE1 3.8Å; W995-F1030 HydrophobicContact CB-CE2 3.52Å; W995-F1030 HydrophobicContact CB-CG 3.93Å; W995-F1030 HydrophobicContact CB-CZ 3.58Å; W995-F1030 AromaticContact CD1-CD2 3.52Å; W995-F1030 AromaticContact CD1-CG 3.74Å; W995-F1030 HydrophobicContact CD2-CB 3.72Å; W995-F1030 AromaticContact CD2-CD1 3.78Å; W995-F1030 HydrophobicContact CD2-CD1 3.78Å; W995-F1030 HydrophobicContact CD2-CD2 4.13Å; W995-F1030 HydrophobicContact CD2-CE1 4.47Å; W995-F1030 AromaticContact CD2-CG 3.59Å; W995-F1030 HydrophobicContact CD2-CG 3.59Å; W995-F1030 AromaticContact CE2-CG 3.98Å; W995-F1030 HydrophobicContact CE3-CB 4.27Å; W995-F1030 AromaticContact CE3-CD1 3.84Å; W995-F1030 HydrophobicContact CE3-CD1 3.84Å; W995-F1030 HydrophobicContact CE3-CE1 4.49Å; W995-F1030 HydrophobicContact CE3-CG 4.12Å; W995-F1030 HydrophobicContact CG-CB 3.99Å; W995-F1030 AromaticContact CG-CD1 3.83Å; W995-F1030 HydrophobicContact CG-CD1 3.83Å; W995-F1030 AromaticContact CG-CD2 3.5Å; W995-F1030 HydrophobicContact CG-CD2 3.5Å; W995-F1030 VanDerWaalsContact CG-CD2 3.5Å; W995-F1030 HydrophobicContact CG-CE1 4.2Å; W995-F1030 AromaticContact CG-CE2 3.89Å; W995-F1030 HydrophobicContact CG-CE2 3.89Å; W995-F1030 AromaticContact CG-CG 3.47Å; W995-F1030 HydrophobicContact CG-CG 3.47Å; W995-F1030 VanDerWaalsContact CG-CG 3.47Å; W995-F1030 HydrophobicContact CG-CZ 4.23Å; W995-F1030 HydrophobicContact CZ2-CB 4.04Å; W995-F1030 AromaticContact NE1-CG 3.99Å; W995-F1033 HydrophobicContact CH2-CB 3.42Å; W995-F1033 VanDerWaalsContact CH2-CB 3.42Å; W995-F1033 HydrophobicContact CZ2-CB 4.4Å; W995-F1033 HydrophobicContact CZ3-CB 3.66Å; W995-F1033 HydrophobicContact CZ3-CG 4.45Å
996	Y	97.4	Very high	96.3	Very high	29 Å²	29	46.4 Å²	46.4	11%	0.114	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	131.3	177.5	177.2	-103.6	0	0	0	110.1	Q968 E970 K972 Y977 G998 R999	Q968-Y996 HydrophobicContact CG-CE2 3.92Å; E970-Y996 PolarHBondContact O-OH 2.9Å; K972-Y996 VanDerWaalsContact CA-OH 3.24Å; K972-Y996 WeakPolarHBondContact CA-OH 3.39Å; K972-Y996 HydrophobicContact CB-CE1 3.71Å; K972-Y996 HydrophobicContact CB-CE2 4.3Å; K972-Y996 HydrophobicContact CD-CD1 3.9Å; K972-Y996 HydrophobicContact CD-CE1 3.89Å; K972-Y996 HydrophobicContact CD-CG 4.43Å; K972-Y996 HydrophobicContact CG-CD1 4.11Å; K972-Y996 HydrophobicContact CG-CD2 4.44Å; K972-Y996 HydrophobicContact CG-CE1 3.79Å; K972-Y996 HydrophobicContact CG-CE2 4.13Å; K972-Y996 HydrophobicContact CG-CG 4.42Å; K972-Y996 PolarHBondContact N-OH 3.36Å; Y977-Y996 HydrophobicContact CD1-CD2 4.01Å; Y977-Y996 HydrophobicContact CD1-CE2 4.37Å; Y977-Y996 AromaticContact CD2-CD2 3.41Å; Y977-Y996 HydrophobicContact CD2-CD2 3.41Å; Y977-Y996 VanDerWaalsContact CD2-CD2 3.41Å; Y977-Y996 HydrophobicContact CD2-CE2 4.14Å; Y977-Y996 HydrophobicContact CD2-CG 4.27Å; Y977-Y996 HydrophobicContact CE1-CD2 4.24Å; Y977-Y996 HydrophobicContact CE1-CG 4.47Å; Y977-Y996 AromaticContact CE2-CD2 3.65Å; Y977-Y996 HydrophobicContact CE2-CD2 3.65Å; Y977-Y996 HydrophobicContact CE2-CG 4.07Å; Y977-Y996 AromaticContact CG-CD2 3.57Å; Y977-Y996 HydrophobicContact CG-CD2 3.57Å; Y977-Y996 AromaticContact CG-CE2 3.91Å; Y977-Y996 HydrophobicContact CG-CE2 3.91Å; Y996-G998 VanDerWaalsContact OH-CA 3.3Å; Y996-G998 WeakPolarHBondContact OH-CA 3.49Å; Y996-R999 PolarHBondContact OH-N 2.91Å; Y996-R999 PolarHBondContact OH-O 3.24Å
997	A	97.4	Very high	96.3	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	105.9	167	0	0	0	0	0	109.5	W966 C967 Q968 T1023 A1024	W966-A997 PolarHBondContact O-N 3.41Å; C967-A997 VanDerWaalsContact CA-O 3.27Å; C967-A997 WeakPolarHBondContact CA-O 3.49Å; Q968-A997 PolarHBondContact N-O 3.44Å; A997-T1023 HydrophobicContact CB-CG2 4.26Å; A997-A1024 HydrophobicContact CB-CB 3.98Å
998	G	97	Very high	96.3	Very high	9 Å²	9	50.1 Å²	50.1	9%	0.093	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.7	-166.1	-179.8	0	0	0	0	0	111.4	Q968 Y996 F1020	Q968-G998 VanDerWaalsContact O-CA 3.23Å; Q968-G998 WeakPolarHBondContact O-CA 3.4Å; Y996-G998 VanDerWaalsContact OH-CA 3.3Å; Y996-G998 WeakPolarHBondContact OH-CA 3.49Å; G998-F1020 VanDerWaalsContact C-CB 3.49Å; G998-F1020 WeakPolarHBondContact O-CB 3.49Å
999	R	98.1	Very high	96.4	Very high	3 Å²	3	53 Å²	53	1%	0.011	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	154.5	177.4	-68.7	-172.6	166.2	76.3	7.2	111.2	E969 K972 Y996 H1013 E1016 F1020	E969-R999 VanDerWaalsContact O-CD 3.23Å; E969-R999 WeakPolarHBondContact O-CD 3.24Å; E969-R999 WeakPolarHBondContact O-CG 3.41Å; E969-R999 PolarHBondContact O-NH1 3Å; K972-R999 PolarHBondContact N-O 3.32Å; Y996-R999 PolarHBondContact OH-N 2.91Å; Y996-R999 PolarHBondContact OH-O 3.24Å; R999-H1013 PolarHBondContact NH2-CE1 3.43Å; R999-H1013 PolarHBondContact NH2-ND1 2.92Å; R999-H1013 VanDerWaalsContact NH2-ND1 3.13Å; R999-H1013 PolarHBondContact NH2-O 2.79Å; R999-H1013 VanDerWaalsContact NH2-O 3.16Å; R999-E1016 WeakPolarHBondContact CD-OE2 3.21Å; R999-E1016 HydrophobicContact CG-CB 4.11Å; R999-E1016 IonicContact CZ-OE2 3.53Å; R999-E1016 IonicContact NE-OE2 3.73Å; R999-E1016 PolarHBondContact NE-OE2 3.14Å; R999-F1020 HydrophobicContact CG-CD1 4.36Å
1000	D	96.7	Very high	96.4	Very high	85 Å²	85	53.3 Å²	53.3	46%	0.455	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-63.5	169.7	174.8	-76	-24.4	0	0	0	110.9	H971 K972 R1019	H971-D1000 WeakPolarHBondContact CA-O 3.47Å; H971-D1000 WeakPolarHBondContact CB-O 3.31Å; H971-D1000 PolarHBondContact CD2-O 3.02Å; K972-D1000 PolarHBondContact N-O 3.09Å; D1000-R1019 IonicContact OD1-NH2 2.75Å; D1000-R1019 IonicContact OD2-CZ 3.3Å; D1000-R1019 IonicContact OD2-NH1 2.77Å; D1000-R1019 PolarHBondContact OD2-NH1 3.22Å; D1000-R1019 IonicContact OD2-NH2 3.6Å; D1000-R1019 PolarHBondContact OD2-NH2 3.05Å
1001	P	97.6	Very high	96.6	Very high	84 Å²	84	55.2 Å²	55.2	55%	0.545	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-60	141.1	168.8	-21.7	31.9	0	0	0	112.3	K972 N973	K972-P1001 HydrophobicContact CB-CG 4.06Å; K972-P1001 HydrophobicContact CD-CG 4.41Å; N973-P1001 HydrophobicContact CB-CB 4.3Å; N973-P1001 VanDerWaalsContact OD1-CA 3.27Å; N973-P1001 WeakPolarHBondContact OD1-CA 3.35Å
1002	A	97.1	Very high	96.8	Very high	30 Å²	30	54 Å²	54	25%	0.248	32%	0.321	C	S	.	.			trans	-144.3	154.6	172.1	0	0	0	0	0	112.5	H971 N973 Q974	H971-A1002 HydrophobicContact CB-CB 4.24Å; H971-A1002 WeakPolarHBondContact CD2-CB 3.43Å; H971-A1002 WeakPolarHBondContact NE2-CB 3.42Å; N973-A1002 PolarHBondContact ND2-O 2.88Å; N973-A1002 PolarHBondContact OD1-N 3.46Å; N973-A1002 PolarHBondContact OD1-O 3.43Å; Q974-A1002 PolarHBondContact NE2-O 2.94Å; Q974-A1002 VanDerWaalsContact NE2-O 3.1Å
1003	A	96.9	Very high	97.1	Very high	100 Å²	100	51.3 Å²	51.3	83%	0.826	31%	0.31	S	S	*	.	S	Bend	trans	-76.4	-45	174.5	0	0	0	0	0	112
1004	A	97.7	Very high	97.3	Very high	48 Å²	48	52.8 Å²	52.8	40%	0.397	31%	0.314	S	S	.	.	S	Bend	trans	-79.7	150.3	175.3	0	0	0	0	0	110.7	P799 Q974 A1006	P799-A1004 HydrophobicContact CB-CB 4.24Å; Q974-A1004 PolarHBondContact NE2-O 3.07Å; A1004-A1006 VanDerWaalsContact C-N 3.32Å; A1004-A1006 PolarHBondContact O-N 2.72Å
1005	P	97.7	Very high	97.4	Very high	9 Å²	9	56.4 Å²	56.4	6%	0.058	34%	0.336	C	S	.	.	S	Bend	trans	-61.7	-37.9	177.6	-25.8	34.8	0	0	0	114.3	M794 P799 H971 Q974	M794-P1005 WeakPolarHBondContact CE-O 3.47Å; P799-P1005 WeakPolarHBondContact O-CB 3.44Å; P799-P1005 WeakPolarHBondContact O-CG 3.1Å; H971-P1005 PolarHBondContact CE1-O 3.11Å; H971-P1005 PolarHBondContact ND1-O 3.23Å; Q974-P1005 PolarHBondContact OE1-O 3.1Å
1006	A	98.3	Very high	97.5	Very high	6 Å²	6	55.8 Å²	55.8	5%	0.05	34%	0.335	C	S	.	.	S	Bend	trans	-148.1	157.3	179.5	0	0	0	0	0	111.5	M794 P799 S802 A1004	M794-A1006 HydrophobicContact SD-CB 3.87Å; P799-A1006 WeakPolarHBondContact CB-O 3.48Å; S802-A1006 WeakPolarHBondContact OG-CB 3.35Å; A1004-A1006 VanDerWaalsContact C-N 3.32Å; A1004-A1006 PolarHBondContact O-N 2.72Å
1007	T	97.3	Very high	97.5	Very high	31 Å²	31	55.5 Å²	55.5	19%	0.19	34%	0.335	C	S	.	.			trans	-70.8	139.9	169.3	-179	0	0	0	0	111.4	N1009 T1012 H1013	T1007-N1009 PolarHBondContact O-N 2.64Å; T1007-N1009 PolarHBondContact OG1-N 3.11Å; T1007-T1012 HydrophobicContact CG2-CG2 4.1Å; T1007-H1013 HydrophobicContact CG2-CB 3.67Å
1008	G	97	Very high	97.5	Very high	68 Å²	68	59.4 Å²	59.4	70%	0.701	35%	0.353	S	S	*	.	S	Bend	trans	-77.2	-3.8	170.5	0	0	0	0	0	113.9
1009	N	97.5	Very high	97.5	Very high	83 Å²	83	63.8 Å²	63.8	44%	0.444	37%	0.367	S	S	.	.			trans	-107	114.9	-177.7	-177.7	-80.2	0	0	0	111.7	T1007 K1011 T1012 H1013	T1007-N1009 PolarHBondContact O-N 2.64Å; T1007-N1009 PolarHBondContact OG1-N 3.11Å; N1009-K1011 VanDerWaalsContact C-N 3.34Å; N1009-K1011 PolarHBondContact O-N 2.95Å; N1009-K1011 WeakPolarHBondContact OD1-CB 3.43Å; N1009-K1011 PolarHBondContact OD1-N 3.36Å; N1009-K1011 VanDerWaalsContact OD1-N 3.13Å; N1009-T1012 WeakPolarHBondContact O-CB 3.37Å; N1009-T1012 PolarHBondContact O-N 3.18Å; N1009-T1012 VanDerWaalsContact O-N 3.08Å; N1009-T1012 PolarHBondContact OD1-N 3.24Å; N1009-T1012 PolarHBondContact OD1-OG1 3.49Å; N1009-H1013 PolarHBondContact O-N 3.25Å
1010	K	96.3	Very high	97.4	Very high	149 Å²	149	63.7 Å²	63.7	65%	0.648	37%	0.367	S	S	*	.	H	α-helix	trans	-57.4	-38.9	-177.4	-172	171	-175.9	172.2	0	114.3	T1012 H1013 L1014	K1010-T1012 VanDerWaalsContact C-N 3.35Å; K1010-H1013 WeakPolarHBondContact O-CB 3.35Å; K1010-H1013 PolarHBondContact O-N 2.8Å; K1010-L1014 WeakPolarHBondContact O-CG 3.36Å; K1010-L1014 PolarHBondContact O-N 3.04Å; K1010-L1014 VanDerWaalsContact O-N 3.08Å
1011	K	97.4	Very high	97.4	Very high	162 Å²	162	59.7 Å²	59.7	70%	0.704	35%	0.345	S	S	*	.	H	α-helix	trans	-65.8	-40.9	177.9	-178.2	178.9	178.7	-179.8	0	111.2	N1009 L1014 T1015	N1009-K1011 VanDerWaalsContact C-N 3.34Å; N1009-K1011 PolarHBondContact O-N 2.95Å; N1009-K1011 WeakPolarHBondContact OD1-CB 3.43Å; N1009-K1011 PolarHBondContact OD1-N 3.36Å; N1009-K1011 VanDerWaalsContact OD1-N 3.13Å; K1011-L1014 PolarHBondContact O-N 3.41Å; K1011-T1015 WeakPolarHBondContact O-CB 3.48Å; K1011-T1015 PolarHBondContact O-N 2.88Å; K1011-T1015 PolarHBondContact O-OG1 3.4Å
1012	T	97.6	Very high	97.4	Very high	57 Å²	57	58.9 Å²	58.9	35%	0.35	34%	0.336	S	S	.	.	H	α-helix	trans	-63.2	-46	175.8	-53.6	0	0	0	0	110.2	T1007 N1009 K1010 L1014 T1015 E1016	T1007-T1012 HydrophobicContact CG2-CG2 4.1Å; N1009-T1012 WeakPolarHBondContact O-CB 3.37Å; N1009-T1012 PolarHBondContact O-N 3.18Å; N1009-T1012 VanDerWaalsContact O-N 3.08Å; N1009-T1012 PolarHBondContact OD1-N 3.24Å; N1009-T1012 PolarHBondContact OD1-OG1 3.49Å; K1010-T1012 VanDerWaalsContact C-N 3.35Å; T1012-L1014 VanDerWaalsContact C-N 3.32Å; T1012-L1014 PolarHBondContact O-N 3.42Å; T1012-T1015 WeakPolarHBondContact O-CB 3.5Å; T1012-T1015 PolarHBondContact O-N 3.06Å; T1012-E1016 HydrophobicContact CG2-CG 4.42Å; T1012-E1016 WeakPolarHBondContact O-CG 3.36Å; T1012-E1016 PolarHBondContact O-N 3.37Å
1013	H	98	Very high	97.4	Very high	13 Å²	13	59.8 Å²	59.8	6%	0.06	34%	0.339	C	S	.	.	H	α-helix	trans	-54.6	-45.7	176.2	166.7	75.7	0	0	0	112.8	M794 G796 R999 T1007 N1009 K1010 L1017	M794-H1013 PolarHBondContact O-CE1 2.86Å; G796-H1013 PolarHBondContact N-CE1 2.94Å; R999-H1013 PolarHBondContact NH2-CE1 3.43Å; R999-H1013 PolarHBondContact NH2-ND1 2.92Å; R999-H1013 VanDerWaalsContact NH2-ND1 3.13Å; R999-H1013 PolarHBondContact NH2-O 2.79Å; R999-H1013 VanDerWaalsContact NH2-O 3.16Å; T1007-H1013 HydrophobicContact CG2-CB 3.67Å; N1009-H1013 PolarHBondContact O-N 3.25Å; K1010-H1013 WeakPolarHBondContact O-CB 3.35Å; K1010-H1013 PolarHBondContact O-N 2.8Å; H1013-L1017 WeakPolarHBondContact O-CB 3.37Å; H1013-L1017 PolarHBondContact O-N 3.16Å
1014	L	98.1	Very high	97.5	Very high	92 Å²	92	55 Å²	55	48%	0.482	30%	0.3	S	S	.	.	H	α-helix	trans	-68.1	-36.8	177	-68.1	174.3	0	0	0	112.4	K1010 K1011 T1012 L1017 Q1018	K1010-L1014 WeakPolarHBondContact O-CG 3.36Å; K1010-L1014 PolarHBondContact O-N 3.04Å; K1010-L1014 VanDerWaalsContact O-N 3.08Å; K1011-L1014 PolarHBondContact O-N 3.41Å; T1012-L1014 VanDerWaalsContact C-N 3.32Å; T1012-L1014 PolarHBondContact O-N 3.42Å; L1014-L1017 PolarHBondContact O-N 3.22Å; L1014-Q1018 WeakPolarHBondContact O-CB 3.44Å; L1014-Q1018 PolarHBondContact O-N 3.34Å
1015	T	98.1	Very high	97.5	Very high	83 Å²	83	53 Å²	53	51%	0.509	28%	0.282	S	S	.	.	H	α-helix	trans	-65.4	-43.2	176.7	-55.4	0	0	0	0	110.8	K1011 T1012 Q1018 R1019	K1011-T1015 WeakPolarHBondContact O-CB 3.48Å; K1011-T1015 PolarHBondContact O-N 2.88Å; K1011-T1015 PolarHBondContact O-OG1 3.4Å; T1012-T1015 WeakPolarHBondContact O-CB 3.5Å; T1012-T1015 PolarHBondContact O-N 3.06Å; T1015-Q1018 PolarHBondContact O-N 3.39Å; T1015-R1019 WeakPolarHBondContact O-CB 3.46Å; T1015-R1019 PolarHBondContact O-N 2.98Å
1016	E	97.6	Very high	97.4	Very high	31 Å²	31	56 Å²	56	15%	0.145	30%	0.297	C	S	.	.	H	α-helix	trans	-62.4	-44	174.5	-71.8	167	177.6	0	0	112	R999 T1012 R1019 F1020	R999-E1016 WeakPolarHBondContact CD-OE2 3.21Å; R999-E1016 HydrophobicContact CG-CB 4.11Å; R999-E1016 IonicContact CZ-OE2 3.53Å; R999-E1016 IonicContact NE-OE2 3.73Å; R999-E1016 PolarHBondContact NE-OE2 3.14Å; T1012-E1016 HydrophobicContact CG2-CG 4.42Å; T1012-E1016 WeakPolarHBondContact O-CG 3.36Å; T1012-E1016 PolarHBondContact O-N 3.37Å; E1016-R1019 PolarHBondContact O-N 3.35Å; E1016-F1020 WeakPolarHBondContact O-CD1 3.42Å; E1016-F1020 PolarHBondContact O-N 3.47Å; E1016-F1020 VanDerWaalsContact O-N 3.11Å
1017	L	97.4	Very high	97.2	Very high	22 Å²	22	57.1 Å²	57.1	12%	0.115	30%	0.302	C	S	.	.	H	α-helix	trans	-57.7	-53.3	175.7	173.4	57.8	0	0	0	110.8	H1013 L1014 R1019 F1020 L1021	H1013-L1017 WeakPolarHBondContact O-CB 3.37Å; H1013-L1017 PolarHBondContact O-N 3.16Å; L1014-L1017 PolarHBondContact O-N 3.22Å; L1017-R1019 VanDerWaalsContact C-N 3.32Å; L1017-R1019 PolarHBondContact O-N 3.02Å; L1017-F1020 HydrophobicContact CB-CE1 4.23Å; L1017-F1020 HydrophobicContact CD1-CD1 4.23Å; L1017-F1020 HydrophobicContact CD1-CE1 3.26Å; L1017-F1020 HydrophobicContact CD1-CE2 4.25Å; L1017-F1020 HydrophobicContact CD1-CZ 3.26Å; L1017-F1020 HydrophobicContact CG-CE1 4.31Å; L1017-F1020 WeakPolarHBondContact O-CD1 3.33Å; L1017-F1020 PolarHBondContact O-N 3.21Å; L1017-L1021 HydrophobicContact CD1-CD1 3.81Å; L1017-L1021 HydrophobicContact CD1-CG 4.06Å; L1017-L1021 HydrophobicContact CG-CD1 3.98Å; L1017-L1021 WeakPolarHBondContact O-CB 3.29Å; L1017-L1021 WeakPolarHBondContact O-CG 3.44Å; L1017-L1021 PolarHBondContact O-N 3.03Å
1018	Q	98	Very high	97	Very high	83 Å²	83	60.9 Å²	60.9	39%	0.388	32%	0.318	S	S	.	.	H	α-helix	trans	-59.2	-44.5	179.5	-172	61.1	50.4	0	0	111.6	L1014 T1015 F1020 L1021 D1022	L1014-Q1018 WeakPolarHBondContact O-CB 3.44Å; L1014-Q1018 PolarHBondContact O-N 3.34Å; T1015-Q1018 PolarHBondContact O-N 3.39Å; Q1018-F1020 VanDerWaalsContact C-N 3.35Å; Q1018-F1020 PolarHBondContact O-N 2.92Å; Q1018-L1021 WeakPolarHBondContact O-CB 3.48Å; Q1018-L1021 PolarHBondContact O-N 2.86Å; Q1018-D1022 PolarHBondContact NE2-OD1 3.26Å; Q1018-D1022 WeakPolarHBondContact O-CB 3.41Å; Q1018-D1022 PolarHBondContact O-N 3.19Å
1019	R	97.1	Very high	96.8	Very high	100 Å²	100	58.8 Å²	58.8	38%	0.377	29%	0.294	S	S	.	.	H	α-helix	trans	-60.9	-41.2	-178.7	-175.6	-178	65	165	4	112.8	D1000 T1015 E1016 L1017 T1023	D1000-R1019 IonicContact OD1-NH2 2.75Å; D1000-R1019 IonicContact OD2-CZ 3.3Å; D1000-R1019 IonicContact OD2-NH1 2.77Å; D1000-R1019 PolarHBondContact OD2-NH1 3.22Å; D1000-R1019 IonicContact OD2-NH2 3.6Å; D1000-R1019 PolarHBondContact OD2-NH2 3.05Å; T1015-R1019 WeakPolarHBondContact O-CB 3.46Å; T1015-R1019 PolarHBondContact O-N 2.98Å; E1016-R1019 PolarHBondContact O-N 3.35Å; L1017-R1019 VanDerWaalsContact C-N 3.32Å; L1017-R1019 PolarHBondContact O-N 3.02Å; R1019-T1023 PolarHBondContact O-N 3.4Å; R1019-T1023 VanDerWaalsContact O-N 3.15Å; R1019-T1023 PolarHBondContact O-OG1 3.12Å
1020	F	95.4	Very high	96.4	Very high	1 Å²	1	55.5 Å²	55.5	0%	0.004	28%	0.276	C	S	.	.	H	α-helix	trans	-75.1	-34.1	178.1	86.8	-113.2	0	0	0	111.9	V919 E969 G998 R999 E1016 L1017 Q1018 D1022 T1023 A1024	V919-F1020 HydrophobicContact CG2-CE2 4.07Å; V919-F1020 HydrophobicContact CG2-CZ 3.92Å; E969-F1020 HydrophobicContact CB-CE1 4.48Å; E969-F1020 HydrophobicContact CB-CZ 4.42Å; G998-F1020 VanDerWaalsContact C-CB 3.49Å; G998-F1020 WeakPolarHBondContact O-CB 3.49Å; R999-F1020 HydrophobicContact CG-CD1 4.36Å; E1016-F1020 WeakPolarHBondContact O-CD1 3.42Å; E1016-F1020 PolarHBondContact O-N 3.47Å; E1016-F1020 VanDerWaalsContact O-N 3.11Å; L1017-F1020 HydrophobicContact CB-CE1 4.23Å; L1017-F1020 HydrophobicContact CD1-CD1 4.23Å; L1017-F1020 HydrophobicContact CD1-CE1 3.26Å; L1017-F1020 HydrophobicContact CD1-CE2 4.25Å; L1017-F1020 HydrophobicContact CD1-CZ 3.26Å; L1017-F1020 HydrophobicContact CG-CE1 4.31Å; L1017-F1020 WeakPolarHBondContact O-CD1 3.33Å; L1017-F1020 PolarHBondContact O-N 3.21Å; Q1018-F1020 VanDerWaalsContact C-N 3.35Å; Q1018-F1020 PolarHBondContact O-N 2.92Å; F1020-D1022 VanDerWaalsContact C-N 3.33Å; F1020-T1023 WeakPolarHBondContact O-CB 3.47Å; F1020-T1023 PolarHBondContact O-N 3.02Å; F1020-A1024 WeakPolarHBondContact O-CB 3.4Å; F1020-A1024 PolarHBondContact O-N 2.88Å
1021	L	98.1	Very high	95.8	Very high	2 Å²	2	53.4 Å²	53.4	1%	0.01	27%	0.267	C	S	.	.	H	α-helix	trans	-61.2	-42.7	172.2	-74.4	175	0	0	0	111.1	L923 E926 L1017 Q1018 T1023 A1024 F1025	L923-L1021 HydrophobicContact CD2-CD2 3.89Å; E926-L1021 HydrophobicContact CB-CD1 4.44Å; E926-L1021 HydrophobicContact CB-CD2 4.07Å; E926-L1021 HydrophobicContact CG-CB 4.16Å; E926-L1021 HydrophobicContact CG-CD1 4.4Å; E926-L1021 HydrophobicContact CG-CD2 4.26Å; L1017-L1021 HydrophobicContact CD1-CD1 3.81Å; L1017-L1021 HydrophobicContact CD1-CG 4.06Å; L1017-L1021 HydrophobicContact CG-CD1 3.98Å; L1017-L1021 WeakPolarHBondContact O-CB 3.29Å; L1017-L1021 WeakPolarHBondContact O-CG 3.44Å; L1017-L1021 PolarHBondContact O-N 3.03Å; Q1018-L1021 WeakPolarHBondContact O-CB 3.48Å; Q1018-L1021 PolarHBondContact O-N 2.86Å; L1021-T1023 VanDerWaalsContact C-N 3.3Å; L1021-T1023 PolarHBondContact O-N 3.46Å; L1021-A1024 PolarHBondContact O-N 3.12Å; L1021-F1025 HydrophobicContact CD2-CE2 4.42Å; L1021-F1025 WeakPolarHBondContact O-CD2 3.48Å; L1021-F1025 PolarHBondContact O-N 3Å; L1021-F1025 VanDerWaalsContact O-N 3.12Å
1022	D	97.7	Very high	94.7	Very high	67 Å²	67	55 Å²	55	36%	0.358	27%	0.274	S	S	.	.	H	α-helix	trans	-57.5	-44.6	174.1	-67.3	-22.6	0	0	0	111.2	R930 Q1018 F1020 D1026	R930-D1022 IonicContact CZ-OD1 3.66Å; R930-D1022 IonicContact NH2-OD1 3.85Å; R930-D1022 PolarHBondContact NH2-OD1 3.37Å; Q1018-D1022 PolarHBondContact NE2-OD1 3.26Å; Q1018-D1022 WeakPolarHBondContact O-CB 3.41Å; Q1018-D1022 PolarHBondContact O-N 3.19Å; F1020-D1022 VanDerWaalsContact C-N 3.33Å; D1022-D1026 WeakPolarHBondContact O-CB 3.5Å; D1022-D1026 PolarHBondContact O-N 3.33Å
1023	T	96.8	Very high	93.4	Very high	48 Å²	48	59.4 Å²	59.4	29%	0.294	29%	0.288	S	S	.	.	H	α-helix	trans	-65.5	-42.3	176.9	-53.4	0	0	0	0	111.9	R911 A997 R1019 F1020 L1021 F1025 A1029 F1030	R911-T1023 PolarHBondContact NH1-O 3.17Å; A997-T1023 HydrophobicContact CB-CG2 4.26Å; R1019-T1023 PolarHBondContact O-N 3.4Å; R1019-T1023 VanDerWaalsContact O-N 3.15Å; R1019-T1023 PolarHBondContact O-OG1 3.12Å; F1020-T1023 WeakPolarHBondContact O-CB 3.47Å; F1020-T1023 PolarHBondContact O-N 3.02Å; L1021-T1023 VanDerWaalsContact C-N 3.3Å; L1021-T1023 PolarHBondContact O-N 3.46Å; T1023-F1025 VanDerWaalsContact C-N 3.3Å; T1023-F1025 PolarHBondContact O-N 3.04Å; T1023-A1029 HydrophobicContact CG2-CB 4.4Å; T1023-F1030 HydrophobicContact CG2-CE1 4.28Å; T1023-F1030 HydrophobicContact CG2-CZ 4.11Å
1024	A	97.5	Very high	91.4	Very high	1 Å²	1	65.1 Å²	65.1	1%	0.008	33%	0.329	C	S	.	.	H	α-helix	trans	-62.7	-35.4	-178.4	0	0	0	0	0	112.6	R911 L913 L923 A997 F1020 L1021	R911-A1024 WeakPolarHBondContact CD-O 3.46Å; R911-A1024 PolarHBondContact NH1-O 3.47Å; L913-A1024 HydrophobicContact CD1-CB 4.29Å; L923-A1024 HydrophobicContact CD2-CB 4.25Å; A997-A1024 HydrophobicContact CB-CB 3.98Å; F1020-A1024 WeakPolarHBondContact O-CB 3.4Å; F1020-A1024 PolarHBondContact O-N 2.88Å; L1021-A1024 PolarHBondContact O-N 3.12Å
1025	F	97.8	Very high	91.1	Very high	5 Å²	5	63.8 Å²	63.8	2%	0.022	32%	0.322	C	S	.	.	H	α-helix	trans	-106	-1.3	-176.6	-68.7	-74.3	0	0	0	115	L913 L923 E926 R927 M932 V936 I938 L1021 T1023 L1027	L913-F1025 HydrophobicContact CD1-CE1 4.06Å; L913-F1025 HydrophobicContact CD1-CZ 3.95Å; L923-F1025 HydrophobicContact CB-CZ 4.41Å; L923-F1025 HydrophobicContact CD2-CE2 3.96Å; L923-F1025 HydrophobicContact CD2-CZ 4.31Å; L923-F1025 VanDerWaalsContact O-CZ 3.24Å; L923-F1025 WeakPolarHBondContact O-CZ 3.46Å; E926-F1025 HydrophobicContact CB-CD2 4.14Å; E926-F1025 HydrophobicContact CB-CE2 3.73Å; E926-F1025 HydrophobicContact CB-CZ 4.5Å; E926-F1025 HydrophobicContact CG-CD2 3.61Å; E926-F1025 HydrophobicContact CG-CE2 3.75Å; R927-F1025 HydrophobicContact CB-CD1 4.47Å; R927-F1025 HydrophobicContact CB-CE1 3.5Å; R927-F1025 VanDerWaalsContact CB-CE1 3.5Å; R927-F1025 HydrophobicContact CB-CZ 3.64Å; R927-F1025 HydrophobicContact CG-CE1 3.83Å; R927-F1025 HydrophobicContact CG-CZ 4.45Å; M932-F1025 WeakPolarHBondContact CE-O 3.36Å; M932-F1025 HydrophobicContact SD-CB 4.05Å; M932-F1025 HydrophobicContact SD-CD1 4.09Å; M932-F1025 HydrophobicContact SD-CG 4.5Å; V936-F1025 HydrophobicContact CB-CE1 4.3Å; V936-F1025 HydrophobicContact CG1-CD1 4.35Å; V936-F1025 HydrophobicContact CG1-CE1 3.9Å; V936-F1025 HydrophobicContact CG2-CD1 4.27Å; I938-F1025 HydrophobicContact CD1-CZ 4.46Å; L1021-F1025 HydrophobicContact CD2-CE2 4.42Å; L1021-F1025 WeakPolarHBondContact O-CD2 3.48Å; L1021-F1025 PolarHBondContact O-N 3Å; L1021-F1025 VanDerWaalsContact O-N 3.12Å; T1023-F1025 VanDerWaalsContact C-N 3.3Å; T1023-F1025 PolarHBondContact O-N 3.04Å; F1025-L1027 PolarHBondContact O-N 3.42Å
1026	D	96.3	Very high	90.7	Very high	72 Å²	72	62.7 Å²	62.7	39%	0.385	31%	0.312	S	S	.	.			trans	-81.3	105.5	168.3	176.3	13.6	0	0	0	110.5	R911 D1022 E1028 A1029	R911-D1026 VanDerWaalsContact CZ-O 3.25Å; R911-D1026 PolarHBondContact NH1-O 2.98Å; R911-D1026 PolarHBondContact NH2-O 3.19Å; D1022-D1026 WeakPolarHBondContact O-CB 3.5Å; D1022-D1026 PolarHBondContact O-N 3.33Å; D1026-E1028 PolarHBondContact O-N 3.2Å; D1026-E1028 WeakPolarHBondContact OD1-CB 3.39Å; D1026-E1028 PolarHBondContact OD1-N 3.4Å; D1026-A1029 HydrophobicContact CB-CB 4.05Å; D1026-A1029 VanDerWaalsContact O-CB 3.26Å; D1026-A1029 WeakPolarHBondContact O-CB 3.39Å; D1026-A1029 PolarHBondContact O-N 3.31Å; D1026-A1029 VanDerWaalsContact O-N 3.16Å; D1026-A1029 PolarHBondContact OD2-N 3.16Å
1027	L	93.6	Very high	90.3	Very high	29 Å²	29	64.5 Å²	64.5	15%	0.152	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-10.5	178.8	-62.3	179.3	0	0	0	113.6	K910 R911 M932 V936 F1025	K910-L1027 HydrophobicContact CB-CD1 4.31Å; K910-L1027 HydrophobicContact CB-CD2 4.17Å; K910-L1027 HydrophobicContact CD-CD1 3.59Å; R911-L1027 HydrophobicContact CB-CD2 4.08Å; M932-L1027 HydrophobicContact CE-CD1 3.85Å; M932-L1027 HydrophobicContact CE-CD2 4.1Å; M932-L1027 HydrophobicContact CE-CG 3.77Å; V936-L1027 HydrophobicContact CG2-CD2 4.42Å; F1025-L1027 PolarHBondContact O-N 3.42Å
1028	E	93.8	Very high	89.9	Confident	110 Å²	110	67 Å²	67	51%	0.514	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-10	176.4	-54.8	-62.2	130.6	0	0	112.7	D1026 F1030 K1031	D1026-E1028 PolarHBondContact O-N 3.2Å; D1026-E1028 WeakPolarHBondContact OD1-CB 3.39Å; D1026-E1028 PolarHBondContact OD1-N 3.4Å; E1028-F1030 PolarHBondContact O-N 2.98Å; E1028-K1031 VanDerWaalsContact CD-CE 3.43Å; E1028-K1031 PolarHBondContact O-N 2.97Å; E1028-K1031 VanDerWaalsContact OE1-CE 3.27Å; E1028-K1031 WeakPolarHBondContact OE1-CE 3.47Å; E1028-K1031 IonicContact OE1-NZ 3.86Å; E1028-K1031 PolarHBondContact OE1-NZ 3.03Å; E1028-K1031 WeakPolarHBondContact OE2-CD 3.26Å; E1028-K1031 WeakPolarHBondContact OE2-CE 3.43Å; E1028-K1031 IonicContact OE2-NZ 2.89Å; E1028-K1031 PolarHBondContact OE2-NZ 3.2Å
1029	A	91.8	Very high	89.4	Confident	25 Å²	25	66 Å²	66	21%	0.207	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-32.5	-170.7	0	0	0	0	0	114.2	T1023 D1026	T1023-A1029 HydrophobicContact CG2-CB 4.4Å; D1026-A1029 HydrophobicContact CB-CB 4.05Å; D1026-A1029 VanDerWaalsContact O-CB 3.26Å; D1026-A1029 WeakPolarHBondContact O-CB 3.39Å; D1026-A1029 PolarHBondContact O-N 3.31Å; D1026-A1029 VanDerWaalsContact O-N 3.16Å; D1026-A1029 PolarHBondContact OD2-N 3.16Å
1030	F	90.8	Very high	88.9	Confident	14 Å²	14	63.7 Å²	63.7	6%	0.061	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	-6.9	-173.4	-53.6	-53.3	0	0	0	114.8	A965 W995 T1023 E1028 K1032 F1033 S1034	A965-F1030 HydrophobicContact CB-CE2 4.41Å; W995-F1030 HydrophobicContact CB-CD1 3.96Å; W995-F1030 HydrophobicContact CB-CD2 3.7Å; W995-F1030 HydrophobicContact CB-CE1 3.8Å; W995-F1030 HydrophobicContact CB-CE2 3.52Å; W995-F1030 HydrophobicContact CB-CG 3.93Å; W995-F1030 HydrophobicContact CB-CZ 3.58Å; W995-F1030 AromaticContact CD1-CD2 3.52Å; W995-F1030 AromaticContact CD1-CG 3.74Å; W995-F1030 HydrophobicContact CD2-CB 3.72Å; W995-F1030 AromaticContact CD2-CD1 3.78Å; W995-F1030 HydrophobicContact CD2-CD1 3.78Å; W995-F1030 HydrophobicContact CD2-CD2 4.13Å; W995-F1030 HydrophobicContact CD2-CE1 4.47Å; W995-F1030 AromaticContact CD2-CG 3.59Å; W995-F1030 HydrophobicContact CD2-CG 3.59Å; W995-F1030 AromaticContact CE2-CG 3.98Å; W995-F1030 HydrophobicContact CE3-CB 4.27Å; W995-F1030 AromaticContact CE3-CD1 3.84Å; W995-F1030 HydrophobicContact CE3-CD1 3.84Å; W995-F1030 HydrophobicContact CE3-CE1 4.49Å; W995-F1030 HydrophobicContact CE3-CG 4.12Å; W995-F1030 HydrophobicContact CG-CB 3.99Å; W995-F1030 AromaticContact CG-CD1 3.83Å; W995-F1030 HydrophobicContact CG-CD1 3.83Å; W995-F1030 AromaticContact CG-CD2 3.5Å; W995-F1030 HydrophobicContact CG-CD2 3.5Å; W995-F1030 VanDerWaalsContact CG-CD2 3.5Å; W995-F1030 HydrophobicContact CG-CE1 4.2Å; W995-F1030 AromaticContact CG-CE2 3.89Å; W995-F1030 HydrophobicContact CG-CE2 3.89Å; W995-F1030 AromaticContact CG-CG 3.47Å; W995-F1030 HydrophobicContact CG-CG 3.47Å; W995-F1030 VanDerWaalsContact CG-CG 3.47Å; W995-F1030 HydrophobicContact CG-CZ 4.23Å; W995-F1030 HydrophobicContact CZ2-CB 4.04Å; W995-F1030 AromaticContact NE1-CG 3.99Å; T1023-F1030 HydrophobicContact CG2-CE1 4.28Å; T1023-F1030 HydrophobicContact CG2-CZ 4.11Å; E1028-F1030 PolarHBondContact O-N 2.98Å; F1030-K1032 PolarHBondContact O-N 3.02Å; F1030-K1032 VanDerWaalsContact O-N 3.09Å; F1030-F1033 PolarHBondContact O-N 3.13Å; F1030-S1034 PolarHBondContact O-N 3.39Å
1031	K	83.2	Confident	88.4	Confident	105 Å²	105	68.2 Å²	68.2	46%	0.457	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-19.7	-175.9	-67.4	-162.9	-168.7	167.8	0	115.1	E1028 F1033 S1034	E1028-K1031 VanDerWaalsContact CD-CE 3.43Å; E1028-K1031 PolarHBondContact O-N 2.97Å; E1028-K1031 VanDerWaalsContact OE1-CE 3.27Å; E1028-K1031 WeakPolarHBondContact OE1-CE 3.47Å; E1028-K1031 IonicContact OE1-NZ 3.86Å; E1028-K1031 PolarHBondContact OE1-NZ 3.03Å; E1028-K1031 WeakPolarHBondContact OE2-CD 3.26Å; E1028-K1031 WeakPolarHBondContact OE2-CE 3.43Å; E1028-K1031 IonicContact OE2-NZ 2.89Å; E1028-K1031 PolarHBondContact OE2-NZ 3.2Å; K1031-F1033 VanDerWaalsContact C-N 3.26Å; K1031-S1034 PolarHBondContact O-OG 3.37Å; K1031-S1034 VanDerWaalsContact O-OG 3.05Å
1032	K	74.1	Confident	87.7	Confident	195 Å²	195	73.3 Å²	73.3	85%	0.848	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-11.1	175.4	-66.8	-179.5	-178.3	173.8	0	113.2	F1030	F1030-K1032 PolarHBondContact O-N 3.02Å; F1030-K1032 VanDerWaalsContact O-N 3.09Å
1033	F	70.5	Confident	86.9	Confident	150 Å²	150	73.8 Å²	73.8	66%	0.658	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.5	-10.8	-175.3	-55.6	-77.4	0	0	0	112.9	W995 F1030 K1031	W995-F1033 HydrophobicContact CH2-CB 3.42Å; W995-F1033 VanDerWaalsContact CH2-CB 3.42Å; W995-F1033 HydrophobicContact CZ2-CB 4.4Å; W995-F1033 HydrophobicContact CZ3-CB 3.66Å; W995-F1033 HydrophobicContact CZ3-CG 4.45Å; F1030-F1033 PolarHBondContact O-N 3.13Å; K1031-F1033 VanDerWaalsContact C-N 3.26Å
1034	S	56.3	Low	86	Confident	132 Å²	132	76.2 Å²	76.2	92%	0.923	39%	0.385	S	S	*	.			trans	-75.6	0	178.2	59.6	0	0	0	0	113.4	F1030 K1031	F1030-S1034 PolarHBondContact O-N 3.39Å; K1031-S1034 PolarHBondContact O-OG 3.37Å; K1031-S1034 VanDerWaalsContact O-OG 3.05Å

Retrieved 1,034 of 1,034 residues in 1327.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).