Z4YJV4_MOUSE Loading...

2-oxoglutarate dehydrogenase complex component E1

AlphaFold DB , UniProt , Accession Z4YJV4, Species MOUSE (Mus musculus, Mouse), Gene Ogdh, Length 1,019 aa.

						>Z4YJV4_MOUSE|Z4YJV4|Ogdh
MFHLRTCAAKLRPLTASQTVKTFSQNKPAAIRTFQQIRCYSAPVAAEPFLSGTSSNYVEEMYCAWLENPKSVHKSWDIFFRNTNAGAPPGTAYQSPLSLSRSSLATMAHAQSLVEAQPNVDKLVEDHLAVQSLIRAYQVRGHHIAKLDPLGISCVNFDDAPVTVSSNVGFYGLHESDLDKVFHLPTTTFIGGQEPALPLREIIRRLEMAYCQHIGVEFMFINDLEQCQWIRQKFETPGIMQFTNEEKRTLLARLVRSTRFEEFLQRKWSSEKRFGLEGCEVLIPALKTIIDMSSANGVDYVIMGMPHRGRLNVLANVIRKELEQIFCQFDSKLEAADEGSGDMKYHLGMYHRRINRVTDRNITLSLVANPSHLEAADPVVMGKTKAEQFYCGDTEGKKVMSILLHGDAAFAGQGIVYETFHLSDLPSYTTHGTVHVVVNNQIGFTTDPRMARSSPYPTDVARVVNAPIFHVNSDDPEAVMYVCKVAAEWRNTFHKDVVVDLVCYRRNGHNEMDEPMFTQPLMYKQIRKQKPVLQKYAELLVSQGVVNQPEYEEEISKYDKICEEAFTRSKDEKILHIKHWLDSPWPGFFTLDGQPRSMTCPSTGLEEDVLFHIGKVASSVPVENFTIHGGLSRILKTRRELVTNRTVDWALAEYMAFGSLLKEGIHVRLSGQDVERGTFSHRHHVLHDQNVDKRTCIPMNHLWPNQAPYTVCNSSLSEYGVLGFELGFAMASPNALVLWEAQFGDFNNMAQCIIDQFICPGQAKWVRQNGIVLLLPHGMEGMGPEHSSARPERFLQMCNDDPDVLPDLQEENFDINQLYDCNWIVVNCSTPGNFFHVLRRQILLPFRKPLIVFTPKSLLRHPEARTSFDEMLPGTHFQRVIPENGPAAQDPHKVKRLLFCTGKVYYDLTRERKARNMEEEVAITRIEQLSPFPFDLLLKEAQKYPNAELAWCQEEHKNQGYYDYVKPRLRTTIDRAKPVWYAGRDPAAAPATGNKKTHLTELQRFLDTAFDLDAFKKFS
					

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	30.2	Very low	25.1	Very low	231 Å²	231	160.2 Å²	160.2	100%	1.138	85%	0.849	S	S	*	*				0	151.6	0	-73	176.8	-177.4	0	0	108.7
2	F	25.1	Very low	25	Very low	176 Å²	176	166.5 Å²	166.5	77%	0.772	85%	0.852	S	S	*	*			trans	16.1	134.2	150.1	-66.4	-88.5	0	0	0	120.2
3	H	25.1	Very low	25.3	Very low	153 Å²	153	162.3 Å²	162.3	71%	0.708	84%	0.843	S	S	*	*			cis	-164.3	169.5	-5.6	-139.8	14	0	0	0	111.9
4	L	23.5	Very low	25.2	Very low	145 Å²	145	161.6 Å²	161.6	76%	0.759	84%	0.839	S	S	*	*			trans	-88.6	158.8	169.9	-65.5	91.3	0	0	0	111.9
5	R	25.4	Very low	25.3	Very low	223 Å²	223	159.2 Å²	159.2	84%	0.842	84%	0.835	S	S	*	*				170.7	112	126.5	-91.7	163.7	-178.7	-167.7	0.4	110.5
6	T	25.3	Very low	25.3	Very low	114 Å²	114	155.4 Å²	155.4	70%	0.699	83%	0.833	S	S	*	*				55.9	115.7	89.3	65.5	0	0	0	0	116
7	C	24.1	Very low	25.4	Very low	133 Å²	133	152.7 Å²	152.7	90%	0.899	83%	0.83	S	S	*	*				-175.2	164.3	103.4	-103.2	0	0	0	0	112
8	A	23.6	Very low	25.4	Very low	103 Å²	103	153.9 Å²	153.9	85%	0.851	83%	0.829	S	S	*	*			trans	-121.1	151.6	179.4	0	0	0	0	0	111.7
9	A	24.5	Very low	25.5	Very low	105 Å²	105	151.7 Å²	151.7	87%	0.868	82%	0.822	S	S	*	*			trans	-146.4	144	168.9	0	0	0	0	0	110.7
10	K	24.8	Very low	25.6	Very low	206 Å²	206	149.9 Å²	149.9	90%	0.896	82%	0.815	S	S	*	*			trans	-95.7	146.3	178.4	-64.4	173.5	177.9	174.6	0	110.6
11	L	24.3	Very low	25.5	Very low	173 Å²	173	152.8 Å²	152.8	91%	0.906	82%	0.82	S	S	*	*			trans	-139.8	135.7	163.7	-79.4	175.1	0	0	0	113
12	R	24	Very low	25.3	Very low	236 Å²	236	147.1 Å²	147.1	89%	0.891	80%	0.799	S	S	*	*			trans	-155.2	132.7	160.8	-96.1	-169	174.7	-168.9	-0.1	106.1
13	P	28.6	Very low	25.2	Very low	112 Å²	112	148.5 Å²	148.5	73%	0.727	81%	0.805	S	S	*	*				-124.2	164.9	101	3.2	19.9	0	0	0	111.1
14	L	24.4	Very low	25.4	Very low	152 Å²	152	145.2 Å²	145.2	80%	0.796	80%	0.799	S	S	*	*				61.8	129.3	58.3	-52.8	172.2	0	0	0	112.7
15	T	26.6	Very low	25.7	Very low	126 Å²	126	145.4 Å²	145.4	77%	0.773	80%	0.796	S	S	*	*			cis	-166.5	165.2	-2.5	2.3	0	0	0	0	111.9
16	A	25.4	Very low	25.6	Very low	98 Å²	98	139.7 Å²	139.7	81%	0.81	78%	0.782	S	S	*	*			trans	71.5	162.8	153	0	0	0	0	0	120
17	S	26.2	Very low	25.7	Very low	110 Å²	110	142.9 Å²	142.9	77%	0.769	79%	0.786	S	S	*	*			cis	-176	-179.9	-33.2	-168.6	0	0	0	0	110.1
18	Q	26.8	Very low	26.2	Very low	174 Å²	174	142.4 Å²	142.4	81%	0.813	78%	0.782	S	S	*	*			trans	86.1	143.4	171.1	-54.6	-170.4	2.9	0	0	117.5
19	T	27	Very low	26.8	Very low	113 Å²	113	142.5 Å²	142.5	69%	0.693	78%	0.783	S	S	*	*			cis	-155.9	131.2	-10.3	10.7	0	0	0	0	113.9
20	V	27.1	Very low	27	Very low	115 Å²	115	141.6 Å²	141.6	70%	0.697	78%	0.775	S	S	*	*				39.8	131.8	123.8	-178.6	0	0	0	0	122.2	T22	V20-T22 HydrophobicContact CG1-CG2 3.87Å
21	K	23.7	Very low	27.1	Very low	210 Å²	210	139.4 Å²	139.4	91%	0.913	77%	0.771	S	S	*	*			trans	-139.3	156.9	135.8	-107.3	-178.1	-179.5	178.5	0	110.6
22	T	26.1	Very low	27.8	Very low	113 Å²	113	142.9 Å²	142.9	69%	0.693	77%	0.772	S	S	*	*			trans	-150	149.3	-160	38.6	0	0	0	0	115.1	V20	V20-T22 HydrophobicContact CG1-CG2 3.87Å
23	F	23.7	Very low	28.1	Very low	204 Å²	204	138.1 Å²	138.1	90%	0.895	77%	0.77	S	S	*	*			trans	-143.7	126.2	143.4	-86.1	-91	0	0	0	106
24	S	27.7	Very low	28.7	Very low	84 Å²	84	143 Å²	143	59%	0.587	78%	0.78	S	S	*	*				73.7	125.6	60.6	173.7	0	0	0	0	112.1
25	Q	29.7	Very low	29	Very low	149 Å²	149	144.7 Å²	144.7	70%	0.696	78%	0.784	S	S	*	*			cis	-158.6	176.6	0.8	-110.5	173.5	100.3	0	0	107
26	N	24.1	Very low	29.1	Very low	104 Å²	104	147.2 Å²	147.2	56%	0.556	79%	0.787	S	S	*	*			cis	-153.8	148.9	8.8	-116.1	-26.9	0	0	0	108.2
27	K	28.3	Very low	29.3	Very low	180 Å²	180	149.7 Å²	149.7	78%	0.783	79%	0.785	S	S	*	*				64.4	152.8	83.4	-77.7	-168.4	-172.5	173.1	0	117.8
28	P	33.3	Very low	29.6	Very low	124 Å²	124	153.1 Å²	153.1	81%	0.805	78%	0.781	S	S	*	*			cis	-124	175.1	-5.9	38.7	-24.1	0	0	0	114.7
29	A	36.3	Very low	29.8	Very low	105 Å²	105	149.8 Å²	149.8	87%	0.868	78%	0.776	S	S	*	*			trans	-126.1	152.5	164.5	0	0	0	0	0	110.3
30	A	29.8	Very low	30.5	Very low	85 Å²	85	152.1 Å²	152.1	70%	0.702	77%	0.773	S	S	*	*			trans	-145.9	116.5	171.3	0	0	0	0	0	109.1
31	I	27	Very low	31.2	Very low	161 Å²	161	152 Å²	152	83%	0.826	78%	0.777	S	S	*	*				82.8	128.8	101.7	-68.8	168.7	0	0	0	113.7
32	R	38.7	Very low	32.4	Very low	245 Å²	245	143.8 Å²	143.8	93%	0.925	75%	0.749	S	S	*	*			trans	-85.5	137.1	174.6	-69.4	175	170.2	174.1	-4.9	111.1
33	T	29	Very low	33.5	Very low	137 Å²	137	142.9 Å²	142.9	84%	0.84	74%	0.744	S	S	*	*			trans	-145.4	153.9	153.2	15.8	0	0	0	0	109.6
34	F	41.7	Very low	35	Very low	213 Å²	213	138 Å²	138	93%	0.934	73%	0.732	S	S	*	*			trans	-71.5	138	-172	-82.9	-110.8	0	0	0	113.4
35	Q	29.9	Very low	36.5	Very low	189 Å²	189	138.5 Å²	138.5	88%	0.883	74%	0.74	S	S	*	*			trans	-135.1	157.2	146.4	-82.5	-170.3	-24.2	0	0	109.4	I37	Q35-I37 PolarHBondContact O-N 3.38Å
36	Q	29.3	Very low	38.1	Very low	178 Å²	178	133.3 Å²	133.3	83%	0.832	72%	0.723	S	S	*	*			trans	-72.6	124.3	-169	-67.2	173.1	-37	0	0	112.3	R38	Q36-R38 PolarHBondContact O-N 3.43Å
37	I	29.5	Very low	40.4	Very low	151 Å²	151	128.9 Å²	128.9	77%	0.774	70%	0.699	S	S	*	*			trans	-73.7	108.6	160.5	-57	177.2	0	0	0	107.4	Q35 C39	Q35-I37 PolarHBondContact O-N 3.38Å; I37-C39 PolarHBondContact O-N 3.22Å
38	R	33.6	Very low	42.3	Very low	182 Å²	182	124.2 Å²	124.2	69%	0.687	69%	0.687	S	S	*	*			trans	-76.3	98.3	162.4	-75.8	-167.7	179.9	-171.7	3.5	108.6	Q36 Y40	Q36-R38 PolarHBondContact O-N 3.43Å; R38-Y40 HydrophobicContact CB-CD2 4.11Å; R38-Y40 HydrophobicContact CB-CE2 3.92Å; R38-Y40 PolarHBondContact NH1-OH 3.14Å; R38-Y40 PolarHBondContact O-N 2.69Å
39	C	30.9	Very low	44.2	Very low	104 Å²	104	120.4 Å²	120.4	70%	0.703	66%	0.658	S	S	*	*			trans	-70.7	90.6	173	-66.4	0	0	0	0	111	I37 S41	I37-C39 PolarHBondContact O-N 3.22Å; C39-S41 VanDerWaalsContact C-N 3.29Å; C39-S41 PolarHBondContact O-N 2.58Å
40	Y	40.3	Very low	45.8	Very low	162 Å²	162	118.9 Å²	118.9	64%	0.635	63%	0.634	S	S	*	*			trans	-87.9	71.5	160.3	-70.4	-76.5	0	0	0	109.4	R38 A42	R38-Y40 HydrophobicContact CB-CD2 4.11Å; R38-Y40 HydrophobicContact CB-CE2 3.92Å; R38-Y40 PolarHBondContact NH1-OH 3.14Å; R38-Y40 PolarHBondContact O-N 2.69Å; Y40-A42 VanDerWaalsContact C-N 3.31Å; Y40-A42 PolarHBondContact O-N 2.87Å
41	S	41.6	Very low	47.8	Very low	112 Å²	112	116.6 Å²	116.6	78%	0.783	61%	0.613	S	S	*	*			trans	-79.7	76.5	178.2	56.2	0	0	0	0	111.2	C39	C39-S41 VanDerWaalsContact C-N 3.29Å; C39-S41 PolarHBondContact O-N 2.58Å
42	A	49.3	Very low	49.9	Very low	38 Å²	38	112.5 Å²	112.5	31%	0.314	61%	0.611	S	S	.	*			trans	-83.7	141.9	163.1	0	0	0	0	0	110.1	Y40 V44 P89	Y40-A42 VanDerWaalsContact C-N 3.31Å; Y40-A42 PolarHBondContact O-N 2.87Å; A42-V44 PolarHBondContact O-N 2.74Å; A42-P89 HydrophobicContact CB-CB 3.83Å; A42-P89 VanDerWaalsContact CB-O 3.23Å; A42-P89 WeakPolarHBondContact CB-O 3.3Å
43	P	49.9	Very low	51.4	Low	93 Å²	93	107.3 Å²	107.3	60%	0.604	61%	0.607	S	S	*	*			trans	-74.2	127.4	177.6	29.7	-33.1	0	0	0	110.9	A45 A46	P43-A45 PolarHBondContact O-N 3.48Å; P43-A46 PolarHBondContact O-N 3.21Å; P43-A46 VanDerWaalsContact O-N 3.1Å
44	V	55.5	Low	53.8	Low	103 Å²	103	102.5 Å²	102.5	62%	0.624	58%	0.579	S	S	*	*	G	3₁₀ helix	trans	-53.4	-23.8	177.3	-179.3	0	0	0	0	112.7	A42 A46 E47 P48	A42-V44 PolarHBondContact O-N 2.74Å; V44-A46 PolarHBondContact O-N 3.4Å; V44-A46 VanDerWaalsContact O-N 3.16Å; V44-E47 CarbonylContact O-C 3.57Å; V44-E47 PolarHBondContact O-N 3.24Å; V44-P48 VanDerWaalsContact O-CA 3.3Å; V44-P48 WeakPolarHBondContact O-CA 3.13Å
45	A	59.6	Low	55.6	Low	93 Å²	93	95.1 Å²	95.1	77%	0.769	55%	0.554	S	S	*	*	G	3₁₀ helix	trans	-56.8	-25.3	176.2	0	0	0	0	0	115.1	P43	P43-A45 PolarHBondContact O-N 3.48Å
46	A	62.8	Low	58.1	Low	40 Å²	40	91.9 Å²	91.9	33%	0.331	54%	0.542	S	S	.	.	G	3₁₀ helix	trans	-83.5	-32.6	179.2	0	0	0	0	0	113.2	P43 V44 P48 G90	P43-A46 PolarHBondContact O-N 3.21Å; P43-A46 VanDerWaalsContact O-N 3.1Å; V44-A46 PolarHBondContact O-N 3.4Å; V44-A46 VanDerWaalsContact O-N 3.16Å; A46-P48 VanDerWaalsContact C-CD 3.48Å; A46-G90 WeakPolarHBondContact CB-O 3.25Å
47	E	72.6	Confident	60.7	Low	12 Å²	12	89.3 Å²	89.3	6%	0.056	53%	0.526	C	S	.	.	S	Bend	trans	-131.2	61.2	-176.6	-73.3	174.4	168.6	0	0	110	V44 F49 L50 G90 T91 A92 Y93	V44-E47 CarbonylContact O-C 3.57Å; V44-E47 PolarHBondContact O-N 3.24Å; E47-F49 HydrophobicContact CB-CE1 4.21Å; E47-F49 HydrophobicContact CB-CZ 4.3Å; E47-F49 HydrophobicContact CG-CE1 4.38Å; E47-F49 HydrophobicContact CG-CZ 4.34Å; E47-F49 PolarHBondContact O-N 3.08Å; E47-L50 HydrophobicContact CB-CB 4.47Å; E47-L50 HydrophobicContact CB-CD1 3.75Å; E47-L50 HydrophobicContact CB-CG 4.03Å; E47-L50 HydrophobicContact CG-CD1 4.35Å; E47-L50 WeakPolarHBondContact O-CB 3.4Å; E47-L50 PolarHBondContact O-N 3.14Å; E47-L50 WeakPolarHBondContact OE2-CD1 3.4Å; E47-G90 VanDerWaalsContact CD-N 3.27Å; E47-G90 WeakPolarHBondContact OE2-CA 3.42Å; E47-G90 PolarHBondContact OE2-N 3.24Å; E47-T91 PolarHBondContact OE1-N 3.17Å; E47-A92 PolarHBondContact OE1-N 3.4Å; E47-Y93 PolarHBondContact OE1-N 3.03Å
48	P	67.8	Low	63.4	Low	81 Å²	81	83.2 Å²	83.2	53%	0.526	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-13.5	-166.4	26.9	-36.7	0	0	0	114.5	V44 A46	V44-P48 VanDerWaalsContact O-CA 3.3Å; V44-P48 WeakPolarHBondContact O-CA 3.13Å; A46-P48 VanDerWaalsContact C-CD 3.48Å
49	F	72.7	Confident	66	Low	44 Å²	44	80.7 Å²	80.7	19%	0.193	49%	0.492	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-14.8	172.8	60.4	-89.1	0	0	0	113.1	E47 S51 S54 W76 F79 Y93	E47-F49 HydrophobicContact CB-CE1 4.21Å; E47-F49 HydrophobicContact CB-CZ 4.3Å; E47-F49 HydrophobicContact CG-CE1 4.38Å; E47-F49 HydrophobicContact CG-CZ 4.34Å; E47-F49 PolarHBondContact O-N 3.08Å; F49-S51 PolarHBondContact O-N 2.82Å; F49-S54 WeakPolarHBondContact O-CB 3.49Å; F49-S54 PolarHBondContact O-OG 3.38Å; F49-W76 AromaticContact CD2-CH2 3.49Å; F49-W76 HydrophobicContact CD2-CH2 3.49Å; F49-W76 VanDerWaalsContact CD2-CH2 3.49Å; F49-W76 AromaticContact CD2-CZ3 3.9Å; F49-W76 HydrophobicContact CD2-CZ3 3.9Å; F49-W76 AromaticContact CE2-CH2 3.75Å; F49-W76 HydrophobicContact CE2-CH2 3.75Å; F49-W76 AromaticContact CE2-CZ3 3.64Å; F49-W76 HydrophobicContact CE2-CZ3 3.64Å; F49-W76 HydrophobicContact CG-CH2 4.37Å; F49-F79 HydrophobicContact CE2-CD2 4.33Å; F49-F79 HydrophobicContact CE2-CE1 4.29Å; F49-F79 HydrophobicContact CE2-CE2 4.07Å; F49-F79 HydrophobicContact CE2-CZ 4.06Å; F49-F79 AromaticContact CZ-CD2 3.88Å; F49-F79 HydrophobicContact CZ-CD2 3.88Å; F49-F79 AromaticContact CZ-CE2 3.82Å; F49-F79 HydrophobicContact CZ-CE2 3.82Å; F49-F79 HydrophobicContact CZ-CG 4.4Å; F49-F79 HydrophobicContact CZ-CZ 4.29Å; F49-Y93 AromaticContact CE1-CD1 3.98Å; F49-Y93 HydrophobicContact CE1-CD1 3.98Å; F49-Y93 AromaticContact CE1-CD2 3.46Å; F49-Y93 HydrophobicContact CE1-CD2 3.46Å; F49-Y93 VanDerWaalsContact CE1-CD2 3.46Å; F49-Y93 HydrophobicContact CE1-CE1 4.34Å; F49-Y93 AromaticContact CE1-CE2 3.87Å; F49-Y93 HydrophobicContact CE1-CE2 3.87Å; F49-Y93 AromaticContact CE1-CG 3.52Å; F49-Y93 HydrophobicContact CE1-CG 3.52Å; F49-Y93 AromaticContact CZ-CD2 3.75Å; F49-Y93 HydrophobicContact CZ-CD2 3.75Å; F49-Y93 HydrophobicContact CZ-CE2 4.46Å; F49-Y93 AromaticContact CZ-CG 3.94Å; F49-Y93 HydrophobicContact CZ-CG 3.94Å
50	L	71.2	Confident	68.9	Low	73 Å²	73	81.6 Å²	81.6	38%	0.382	49%	0.486	S	S	.	.			trans	-80.7	49.3	173.5	-61	-177.6	0	0	0	111.4	E47 V58 F79	E47-L50 HydrophobicContact CB-CB 4.47Å; E47-L50 HydrophobicContact CB-CD1 3.75Å; E47-L50 HydrophobicContact CB-CG 4.03Å; E47-L50 HydrophobicContact CG-CD1 4.35Å; E47-L50 WeakPolarHBondContact O-CB 3.4Å; E47-L50 PolarHBondContact O-N 3.14Å; E47-L50 WeakPolarHBondContact OE2-CD1 3.4Å; L50-V58 HydrophobicContact CD2-CG1 4.1Å; L50-V58 HydrophobicContact CD2-CG2 4.17Å; L50-F79 HydrophobicContact CD1-CE2 4.12Å; L50-F79 HydrophobicContact CD1-CZ 3.83Å; L50-F79 HydrophobicContact CD2-CE1 4.38Å; L50-F79 HydrophobicContact CD2-CZ 3.89Å; L50-F79 HydrophobicContact CG-CZ 4.31Å
51	S	71.4	Confident	71.4	Confident	37 Å²	37	75.4 Å²	75.4	26%	0.259	46%	0.463	S	S	.	.	S	Bend	trans	-91.8	153.4	176.2	79.5	0	0	0	0	111	F49 T53 S54	F49-S51 PolarHBondContact O-N 2.82Å; S51-T53 PolarHBondContact O-N 3.16Å; S51-T53 VanDerWaalsContact O-N 3.11Å; S51-T53 PolarHBondContact OG-OG1 3.26Å; S51-S54 PolarHBondContact O-N 3.24Å; S51-S54 PolarHBondContact OG-OG 3.42Å
52	G	69.6	Low	73.7	Confident	76 Å²	76	73.6 Å²	73.6	78%	0.784	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-17.7	176.8	0	0	0	0	0	114.3	S54	G52-S54 VanDerWaalsContact C-N 3.33Å
53	T	72	Confident	75.8	Confident	135 Å²	135	75 Å²	75	83%	0.828	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-9.4	172.5	34.1	0	0	0	0	114	S51	S51-T53 PolarHBondContact O-N 3.16Å; S51-T53 VanDerWaalsContact O-N 3.11Å; S51-T53 PolarHBondContact OG-OG1 3.26Å
54	S	78.2	Confident	77.7	Confident	37 Å²	37	72 Å²	72	26%	0.259	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.5	-3	-175.1	-54.9	0	0	0	0	113.7	F49 S51 G52 N56 Y57 V58	F49-S54 WeakPolarHBondContact O-CB 3.49Å; F49-S54 PolarHBondContact O-OG 3.38Å; S51-S54 PolarHBondContact O-N 3.24Å; S51-S54 PolarHBondContact OG-OG 3.42Å; G52-S54 VanDerWaalsContact C-N 3.33Å; S54-N56 PolarHBondContact O-N 2.88Å; S54-Y57 PolarHBondContact O-N 2.86Å; S54-Y57 VanDerWaalsContact O-N 3.13Å; S54-V58 PolarHBondContact O-N 3.23Å; S54-V58 VanDerWaalsContact O-N 3.12Å
55	S	79.8	Confident	79.6	Confident	58 Å²	58	68.1 Å²	68.1	41%	0.406	40%	0.403	S	S	.	.	H	α-helix	trans	-48.9	-51.6	-171	51.3	0	0	0	0	113.6	Y57 V58 E59	S55-Y57 VanDerWaalsContact C-N 3.28Å; S55-Y57 PolarHBondContact O-N 3.45Å; S55-V58 PolarHBondContact O-N 2.97Å; S55-V58 VanDerWaalsContact O-N 3.15Å; S55-E59 WeakPolarHBondContact O-CB 3.16Å; S55-E59 PolarHBondContact O-N 3.45Å
56	N	82.3	Confident	81.2	Confident	120 Å²	120	68.4 Å²	68.4	64%	0.642	39%	0.391	S	S	*	.	H	α-helix	trans	-65.3	-33.9	-173.1	-57.2	17.7	0	0	0	111.7	S54 E60	S54-N56 PolarHBondContact O-N 2.88Å; N56-E60 VanDerWaalsContact O-CB 3.32Å; N56-E60 WeakPolarHBondContact O-CB 3.46Å; N56-E60 PolarHBondContact O-N 3.02Å
57	Y	83.3	Confident	82.5	Confident	124 Å²	124	74.9 Å²	74.9	49%	0.486	42%	0.415	S	S	.	.	H	α-helix	trans	-73.6	-38	176.7	-180	-110.6	0	0	0	111.8	S54 S55 E59 M61 W76	S54-Y57 PolarHBondContact O-N 2.86Å; S54-Y57 VanDerWaalsContact O-N 3.13Å; S55-Y57 VanDerWaalsContact C-N 3.28Å; S55-Y57 PolarHBondContact O-N 3.45Å; Y57-E59 VanDerWaalsContact C-N 3.33Å; Y57-M61 HydrophobicContact CD1-CG 4.48Å; Y57-M61 HydrophobicContact CD2-CG 4.41Å; Y57-M61 HydrophobicContact CE1-CG 4.12Å; Y57-M61 HydrophobicContact CE2-CE 3.95Å; Y57-M61 HydrophobicContact CE2-CG 4.03Å; Y57-M61 HydrophobicContact CE2-SD 4.13Å; Y57-M61 WeakPolarHBondContact O-CB 3.44Å; Y57-M61 WeakPolarHBondContact O-CG 3.49Å; Y57-M61 PolarHBondContact O-N 2.98Å; Y57-W76 HydrophobicContact CD1-CZ2 4.35Å; Y57-W76 AromaticContact CE1-CZ2 3.89Å; Y57-W76 HydrophobicContact CE1-CZ2 3.89Å
58	V	87.4	Confident	83.4	Confident	23 Å²	23	78.2 Å²	78.2	14%	0.139	43%	0.433	C	S	.	.	H	α-helix	trans	-64.6	-40.1	173.5	-179.4	0	0	0	0	110.8	L50 S54 S55 Y62 W76 F80	L50-V58 HydrophobicContact CD2-CG1 4.1Å; L50-V58 HydrophobicContact CD2-CG2 4.17Å; S54-V58 PolarHBondContact O-N 3.23Å; S54-V58 VanDerWaalsContact O-N 3.12Å; S55-V58 PolarHBondContact O-N 2.97Å; S55-V58 VanDerWaalsContact O-N 3.15Å; V58-Y62 WeakPolarHBondContact O-CB 3.31Å; V58-Y62 PolarHBondContact O-N 3.21Å; V58-W76 HydrophobicContact CG1-CZ3 4.27Å; V58-W76 HydrophobicContact CG2-CH2 3.97Å; V58-W76 HydrophobicContact CG2-CZ3 4.37Å; V58-F80 HydrophobicContact CG1-CE1 4.29Å; V58-F80 HydrophobicContact CG1-CZ 4.48Å
59	E	88.6	Confident	84.4	Confident	129 Å²	129	76.6 Å²	76.6	60%	0.603	42%	0.423	S	S	*	.	H	α-helix	trans	-67.1	-45.1	177.2	-171	165.9	-149.2	0	0	111.9	S55 Y57 M61 Y62 C63	S55-E59 WeakPolarHBondContact O-CB 3.16Å; S55-E59 PolarHBondContact O-N 3.45Å; Y57-E59 VanDerWaalsContact C-N 3.33Å; E59-M61 PolarHBondContact O-N 2.91Å; E59-Y62 PolarHBondContact O-N 3.32Å; E59-Y62 VanDerWaalsContact O-N 3.14Å; E59-C63 PolarHBondContact O-N 3.29Å; E59-C63 PolarHBondContact O-SG 3.1Å
60	E	90.4	Very high	85.2	Confident	123 Å²	123	83.5 Å²	83.5	58%	0.575	45%	0.453	S	S	*	.	H	α-helix	trans	-59.2	-45.7	173.5	-176.3	177	-157.4	0	0	112	N56 Y62 C63 A64	N56-E60 VanDerWaalsContact O-CB 3.32Å; N56-E60 WeakPolarHBondContact O-CB 3.46Å; N56-E60 PolarHBondContact O-N 3.02Å; E60-Y62 VanDerWaalsContact C-N 3.33Å; E60-Y62 PolarHBondContact O-N 2.94Å; E60-C63 PolarHBondContact O-N 3.05Å; E60-A64 WeakPolarHBondContact O-CB 3.45Å; E60-A64 PolarHBondContact O-N 2.84Å
61	M	92.9	Very high	86.2	Confident	33 Å²	33	83.1 Å²	83.1	16%	0.163	46%	0.456	C	S	.	.	H	α-helix	trans	-64.2	-35.3	174.4	-67.7	-62.1	95.9	0	0	112.2	Y57 E59 W65 V72 W76 F80	Y57-M61 HydrophobicContact CD1-CG 4.48Å; Y57-M61 HydrophobicContact CD2-CG 4.41Å; Y57-M61 HydrophobicContact CE1-CG 4.12Å; Y57-M61 HydrophobicContact CE2-CE 3.95Å; Y57-M61 HydrophobicContact CE2-CG 4.03Å; Y57-M61 HydrophobicContact CE2-SD 4.13Å; Y57-M61 WeakPolarHBondContact O-CB 3.44Å; Y57-M61 WeakPolarHBondContact O-CG 3.49Å; Y57-M61 PolarHBondContact O-N 2.98Å; E59-M61 PolarHBondContact O-N 2.91Å; M61-W65 VanDerWaalsContact O-CB 3.24Å; M61-W65 WeakPolarHBondContact O-CB 3.42Å; M61-W65 PolarHBondContact O-N 3.08Å; M61-V72 HydrophobicContact CB-CG1 4.26Å; M61-V72 WeakPolarHBondContact O-CG1 3.23Å; M61-V72 HydrophobicContact SD-CB 4.49Å; M61-V72 HydrophobicContact SD-CG1 3.86Å; M61-W76 HydrophobicContact CB-CD2 4.32Å; M61-W76 HydrophobicContact CB-CG 4.47Å; M61-W76 HydrophobicContact CG-CD2 4.44Å; M61-F80 HydrophobicContact CB-CE2 4Å; M61-F80 HydrophobicContact CB-CZ 4.03Å; M61-F80 WeakPolarHBondContact O-CE2 3.44Å
62	Y	91.3	Very high	87	Confident	73 Å²	73	82.1 Å²	82.1	29%	0.286	45%	0.448	S	S	.	.	H	α-helix	trans	-69.5	-43	177.2	-173.4	-122.8	0	0	0	111.9	V58 E59 E60 W65 L66 F80 N84	V58-Y62 WeakPolarHBondContact O-CB 3.31Å; V58-Y62 PolarHBondContact O-N 3.21Å; E59-Y62 PolarHBondContact O-N 3.32Å; E59-Y62 VanDerWaalsContact O-N 3.14Å; E60-Y62 VanDerWaalsContact C-N 3.33Å; E60-Y62 PolarHBondContact O-N 2.94Å; Y62-W65 AromaticContact CD2-CE3 3.84Å; Y62-W65 HydrophobicContact CD2-CE3 3.84Å; Y62-W65 HydrophobicContact CD2-CZ3 4.3Å; Y62-W65 AromaticContact CE2-CE3 3.63Å; Y62-W65 HydrophobicContact CE2-CE3 3.63Å; Y62-W65 AromaticContact CE2-CZ3 3.62Å; Y62-W65 HydrophobicContact CE2-CZ3 3.62Å; Y62-W65 PolarHBondContact O-N 2.82Å; Y62-L66 HydrophobicContact CD1-CD1 3.98Å; Y62-L66 HydrophobicContact CE1-CD1 3.63Å; Y62-L66 HydrophobicContact CE1-CG 4.2Å; Y62-L66 HydrophobicContact CE2-CD2 4.31Å; Y62-L66 HydrophobicContact CE2-CG 4.24Å; Y62-L66 WeakPolarHBondContact O-CG 3.47Å; Y62-L66 PolarHBondContact O-N 3.39Å; Y62-F80 HydrophobicContact CD2-CB 4.17Å; Y62-F80 AromaticContact CD2-CD1 3.43Å; Y62-F80 HydrophobicContact CD2-CD1 3.43Å; Y62-F80 VanDerWaalsContact CD2-CD1 3.43Å; Y62-F80 HydrophobicContact CD2-CD2 4.16Å; Y62-F80 AromaticContact CD2-CE1 3.73Å; Y62-F80 HydrophobicContact CD2-CE1 3.73Å; Y62-F80 HydrophobicContact CD2-CE2 4.41Å; Y62-F80 AromaticContact CD2-CG 3.68Å; Y62-F80 HydrophobicContact CD2-CG 3.68Å; Y62-F80 HydrophobicContact CD2-CZ 4.22Å; Y62-F80 HydrophobicContact CE2-CB 4.29Å; Y62-F80 HydrophobicContact CE2-CD1 4.12Å; Y62-F80 HydrophobicContact CE2-CG 4.28Å; Y62-F80 HydrophobicContact CG-CD1 4.27Å; Y62-F80 HydrophobicContact CG-CE1 4.12Å; Y62-F80 HydrophobicContact CG-CZ 4.45Å; Y62-N84 PolarHBondContact OH-ND2 2.98Å; Y62-N84 PolarHBondContact OH-OD1 2.99Å
63	C	93.1	Very high	87.8	Confident	69 Å²	69	84.4 Å²	84.4	47%	0.466	44%	0.438	S	S	.	.	H	α-helix	trans	-59.8	-48.6	173.9	-72.7	0	0	0	0	111.7	E59 E60 W65 L66 E67	E59-C63 PolarHBondContact O-N 3.29Å; E59-C63 PolarHBondContact O-SG 3.1Å; E60-C63 PolarHBondContact O-N 3.05Å; C63-W65 VanDerWaalsContact C-N 3.28Å; C63-W65 PolarHBondContact O-N 3.02Å; C63-L66 PolarHBondContact O-N 3.17Å; C63-E67 PolarHBondContact O-N 3.35Å
64	A	90.3	Very high	88.3	Confident	29 Å²	29	85.2 Å²	85.2	24%	0.24	43%	0.43	C	S	.	.	H	α-helix	trans	-61	-36.8	176.8	0	0	0	0	0	112.6	E60 N68 S71 V72	E60-A64 WeakPolarHBondContact O-CB 3.45Å; E60-A64 PolarHBondContact O-N 2.84Å; A64-N68 PolarHBondContact O-N 3.26Å; A64-N68 VanDerWaalsContact O-N 3.11Å; A64-S71 PolarHBondContact O-OG 2.81Å; A64-V72 HydrophobicContact CB-CG1 3.99Å
65	W	94.7	Very high	88.6	Confident	21 Å²	21	84.5 Å²	84.5	8%	0.08	43%	0.425	C	S	.	.	H	α-helix	trans	-69.8	-37.1	176.4	176.6	83.9	0	0	0	112.9	M61 Y62 C63 N68 P69 V72 D77 F80 R81 N84	M61-W65 VanDerWaalsContact O-CB 3.24Å; M61-W65 WeakPolarHBondContact O-CB 3.42Å; M61-W65 PolarHBondContact O-N 3.08Å; Y62-W65 AromaticContact CD2-CE3 3.84Å; Y62-W65 HydrophobicContact CD2-CE3 3.84Å; Y62-W65 HydrophobicContact CD2-CZ3 4.3Å; Y62-W65 AromaticContact CE2-CE3 3.63Å; Y62-W65 HydrophobicContact CE2-CE3 3.63Å; Y62-W65 AromaticContact CE2-CZ3 3.62Å; Y62-W65 HydrophobicContact CE2-CZ3 3.62Å; Y62-W65 PolarHBondContact O-N 2.82Å; C63-W65 VanDerWaalsContact C-N 3.28Å; C63-W65 PolarHBondContact O-N 3.02Å; W65-N68 CarbonylContact O-C 3.42Å; W65-N68 PolarHBondContact O-N 3.49Å; W65-P69 VanDerWaalsContact O-CD 3.29Å; W65-P69 WeakPolarHBondContact O-CD 3.36Å; W65-P69 VanDerWaalsContact O-N 3.12Å; W65-V72 HydrophobicContact CB-CG1 4.27Å; W65-V72 HydrophobicContact CB-CG2 3.9Å; W65-V72 HydrophobicContact CG-CG2 4.19Å; W65-D77 PolarHBondContact NE1-OD1 3.27Å; W65-F80 HydrophobicContact CB-CD2 3.74Å; W65-F80 HydrophobicContact CB-CE2 4.12Å; W65-F80 HydrophobicContact CD2-CB 3.6Å; W65-F80 AromaticContact CD2-CD2 3.96Å; W65-F80 HydrophobicContact CD2-CD2 3.96Å; W65-F80 HydrophobicContact CD2-CG 4.16Å; W65-F80 HydrophobicContact CE3-CB 3.72Å; W65-F80 HydrophobicContact CE3-CD2 4.38Å; W65-F80 HydrophobicContact CE3-CG 4.28Å; W65-F80 HydrophobicContact CG-CB 4.17Å; W65-F80 AromaticContact CG-CD2 3.64Å; W65-F80 HydrophobicContact CG-CD2 3.64Å; W65-F80 HydrophobicContact CG-CE2 4.49Å; W65-F80 HydrophobicContact CG-CG 4.33Å; W65-F80 HydrophobicContact CH2-CB 4.09Å; W65-F80 HydrophobicContact CZ2-CB 3.99Å; W65-F80 HydrophobicContact CZ3-CB 3.96Å; W65-R81 HydrophobicContact CZ2-CG 3.79Å; W65-N84 WeakPolarHBondContact CZ3-ND2 3.44Å
66	L	92.4	Very high	89	Confident	99 Å²	99	83.2 Å²	83.2	52%	0.518	41%	0.412	S	S	.	.	H	α-helix	trans	-64.5	-37.8	175.6	-76.5	174	0	0	0	112.5	Y62 C63	Y62-L66 HydrophobicContact CD1-CD1 3.98Å; Y62-L66 HydrophobicContact CE1-CD1 3.63Å; Y62-L66 HydrophobicContact CE1-CG 4.2Å; Y62-L66 HydrophobicContact CE2-CD2 4.31Å; Y62-L66 HydrophobicContact CE2-CG 4.24Å; Y62-L66 WeakPolarHBondContact O-CG 3.47Å; Y62-L66 PolarHBondContact O-N 3.39Å; C63-L66 PolarHBondContact O-N 3.17Å
67	E	91.7	Very high	89.3	Confident	176 Å²	176	78.5 Å²	78.5	82%	0.822	39%	0.387	S	S	*	.	H	α-helix	trans	-70.2	-42.4	174.3	-67.6	-173.3	168.4	0	0	112.1	C63	C63-E67 PolarHBondContact O-N 3.35Å
68	N	89.9	Confident	89.4	Confident	82 Å²	82	75.2 Å²	75.2	44%	0.439	38%	0.377	S	S	.	.			trans	-156.5	111.4	177.4	176.2	3.6	0	0	0	110.9	A64 W65 K70 S71	A64-N68 PolarHBondContact O-N 3.26Å; A64-N68 VanDerWaalsContact O-N 3.11Å; W65-N68 CarbonylContact O-C 3.42Å; W65-N68 PolarHBondContact O-N 3.49Å; N68-K70 PolarHBondContact O-N 3.26Å; N68-K70 WeakPolarHBondContact OD1-CB 3.23Å; N68-K70 PolarHBondContact OD1-N 3.45Å; N68-S71 WeakPolarHBondContact O-CB 3.35Å; N68-S71 PolarHBondContact O-N 3.47Å; N68-S71 PolarHBondContact O-OG 2.91Å
69	P	89.3	Confident	89.4	Confident	48 Å²	48	74.7 Å²	74.7	31%	0.312	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-11.7	179.1	-31.8	38.4	0	0	0	116.6	W65	W65-P69 VanDerWaalsContact O-CD 3.29Å; W65-P69 WeakPolarHBondContact O-CD 3.36Å; W65-P69 VanDerWaalsContact O-N 3.12Å
70	K	90.1	Very high	89.5	Confident	188 Å²	188	68.8 Å²	68.8	82%	0.817	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-2.2	175	-58.2	-179.1	-179.2	176.9	0	114.4	N68	N68-K70 PolarHBondContact O-N 3.26Å; N68-K70 WeakPolarHBondContact OD1-CB 3.23Å; N68-K70 PolarHBondContact OD1-N 3.45Å
71	S	90.8	Very high	89.4	Confident	66 Å²	66	69.2 Å²	69.2	46%	0.462	34%	0.342	S	S	.	.	S	Bend	trans	-72.2	-33.9	177.6	65.8	0	0	0	0	112.1	A64 N68	A64-S71 PolarHBondContact O-OG 2.81Å; N68-S71 WeakPolarHBondContact O-CB 3.35Å; N68-S71 PolarHBondContact O-N 3.47Å; N68-S71 PolarHBondContact O-OG 2.91Å
72	V	88.9	Confident	89.1	Confident	15 Å²	15	69.8 Å²	69.8	9%	0.091	35%	0.345	C	S	.	.	S	Bend	trans	-95.8	161.3	-179	-62.5	0	0	0	0	112.4	M61 A64 W65 W76	M61-V72 HydrophobicContact CB-CG1 4.26Å; M61-V72 WeakPolarHBondContact O-CG1 3.23Å; M61-V72 HydrophobicContact SD-CB 4.49Å; M61-V72 HydrophobicContact SD-CG1 3.86Å; A64-V72 HydrophobicContact CB-CG1 3.99Å; W65-V72 HydrophobicContact CB-CG1 4.27Å; W65-V72 HydrophobicContact CB-CG2 3.9Å; W65-V72 HydrophobicContact CG-CG2 4.19Å; V72-W76 HydrophobicContact CB-CB 3.93Å; V72-W76 HydrophobicContact CG2-CB 3.74Å
73	H	86.9	Confident	88.7	Confident	124 Å²	124	69.2 Å²	69.2	57%	0.574	35%	0.349	S	S	*	.			trans	-60.4	147	173.7	-174.9	-108.5	0	0	0	111.8	S75 W76 D77	H73-S75 PolarHBondContact ND1-OG 2.86Å; H73-S75 PolarHBondContact O-N 3.48Å; H73-W76 WeakPolarHBondContact O-CA 3.25Å; H73-W76 WeakPolarHBondContact O-CB 3.37Å; H73-W76 PolarHBondContact O-N 3.33Å; H73-D77 PolarHBondContact O-N 3.41Å
74	K	83	Confident	88.3	Confident	152 Å²	152	70.3 Å²	70.3	66%	0.661	35%	0.35	S	S	*	.	H	α-helix	trans	-58.4	-24.5	-171.9	-168.8	174.7	-180	-178.4	0	114.5	D77 I78	K74-D77 PolarHBondContact O-N 3.15Å; K74-I78 HydrophobicContact CG-CD1 4.22Å; K74-I78 WeakPolarHBondContact O-CG1 3.42Å; K74-I78 PolarHBondContact O-N 2.95Å; K74-I78 VanDerWaalsContact O-N 3.09Å
75	S	83.3	Confident	87.9	Confident	22 Å²	22	73.1 Å²	73.1	15%	0.154	37%	0.374	C	S	.	.	H	α-helix	trans	-64.8	-39.3	171.8	54.5	0	0	0	0	112.8	H73 F79	H73-S75 PolarHBondContact ND1-OG 2.86Å; H73-S75 PolarHBondContact O-N 3.48Å; S75-F79 VanDerWaalsContact O-CB 3.26Å; S75-F79 WeakPolarHBondContact O-CB 3.41Å; S75-F79 PolarHBondContact O-N 3.3Å
76	W	88.7	Confident	87.1	Confident	31 Å²	31	75.1 Å²	75.1	12%	0.117	40%	0.401	C	S	.	.	H	α-helix	trans	-69.7	-41.1	174.9	-70	120	0	0	0	111.3	F49 Y57 V58 M61 V72 H73 I78 F79 F80	F49-W76 AromaticContact CD2-CH2 3.49Å; F49-W76 HydrophobicContact CD2-CH2 3.49Å; F49-W76 VanDerWaalsContact CD2-CH2 3.49Å; F49-W76 AromaticContact CD2-CZ3 3.9Å; F49-W76 HydrophobicContact CD2-CZ3 3.9Å; F49-W76 AromaticContact CE2-CH2 3.75Å; F49-W76 HydrophobicContact CE2-CH2 3.75Å; F49-W76 AromaticContact CE2-CZ3 3.64Å; F49-W76 HydrophobicContact CE2-CZ3 3.64Å; F49-W76 HydrophobicContact CG-CH2 4.37Å; Y57-W76 HydrophobicContact CD1-CZ2 4.35Å; Y57-W76 AromaticContact CE1-CZ2 3.89Å; Y57-W76 HydrophobicContact CE1-CZ2 3.89Å; V58-W76 HydrophobicContact CG1-CZ3 4.27Å; V58-W76 HydrophobicContact CG2-CH2 3.97Å; V58-W76 HydrophobicContact CG2-CZ3 4.37Å; M61-W76 HydrophobicContact CB-CD2 4.32Å; M61-W76 HydrophobicContact CB-CG 4.47Å; M61-W76 HydrophobicContact CG-CD2 4.44Å; V72-W76 HydrophobicContact CB-CB 3.93Å; V72-W76 HydrophobicContact CG2-CB 3.74Å; H73-W76 WeakPolarHBondContact O-CA 3.25Å; H73-W76 WeakPolarHBondContact O-CB 3.37Å; H73-W76 PolarHBondContact O-N 3.33Å; W76-I78 VanDerWaalsContact C-N 3.33Å; W76-I78 PolarHBondContact O-N 2.99Å; W76-F79 AromaticContact CE3-CD1 3.86Å; W76-F79 HydrophobicContact CE3-CD1 3.86Å; W76-F79 HydrophobicContact CE3-CG 4.5Å; W76-F79 AromaticContact CZ3-CD1 3.95Å; W76-F79 HydrophobicContact CZ3-CD1 3.95Å; W76-F79 HydrophobicContact CZ3-CE1 4.2Å; W76-F79 PolarHBondContact O-N 2.9Å; W76-F80 HydrophobicContact CB-CD2 4.09Å; W76-F80 HydrophobicContact CB-CE2 3.82Å; W76-F80 HydrophobicContact CD2-CE2 4.28Å; W76-F80 HydrophobicContact CD2-CZ 4.36Å; W76-F80 HydrophobicContact CE3-CE1 4.2Å; W76-F80 AromaticContact CE3-CE2 3.83Å; W76-F80 HydrophobicContact CE3-CE2 3.83Å; W76-F80 AromaticContact CE3-CZ 3.57Å; W76-F80 HydrophobicContact CE3-CZ 3.57Å; W76-F80 HydrophobicContact CG-CE2 4.32Å; W76-F80 HydrophobicContact CZ3-CE1 4.5Å; W76-F80 HydrophobicContact CZ3-CZ 4.09Å; W76-F80 WeakPolarHBondContact O-CB 3.47Å; W76-F80 WeakPolarHBondContact O-CD2 3.46Å; W76-F80 WeakPolarHBondContact O-CG 3.26Å; W76-F80 PolarHBondContact O-N 2.72Å
77	D	89.1	Confident	86.5	Confident	22 Å²	22	71.9 Å²	71.9	12%	0.118	39%	0.389	C	S	.	.	H	α-helix	trans	-58	-44.1	174.6	-178.1	36.9	0	0	0	112.3	W65 H73 K74 R81	W65-D77 PolarHBondContact NE1-OD1 3.27Å; H73-D77 PolarHBondContact O-N 3.41Å; K74-D77 PolarHBondContact O-N 3.15Å; D77-R81 VanDerWaalsContact CG-NE 3.32Å; D77-R81 VanDerWaalsContact CG-NH2 3.3Å; D77-R81 WeakPolarHBondContact O-CB 3.47Å; D77-R81 WeakPolarHBondContact O-CG 3.18Å; D77-R81 PolarHBondContact O-N 3.27Å; D77-R81 VanDerWaalsContact O-N 3.11Å; D77-R81 IonicContact OD1-CZ 3.16Å; D77-R81 VanDerWaalsContact OD1-CZ 3.27Å; D77-R81 IonicContact OD1-NE 3.29Å; D77-R81 PolarHBondContact OD1-NE 2.96Å; D77-R81 IonicContact OD1-NH2 2.65Å; D77-R81 PolarHBondContact OD1-NH2 3.34Å; D77-R81 IonicContact OD2-CZ 3.46Å; D77-R81 IonicContact OD2-NE 2.81Å; D77-R81 PolarHBondContact OD2-NE 3.07Å; D77-R81 IonicContact OD2-NH2 3.39Å; D77-R81 PolarHBondContact OD2-NH2 3.18Å
78	I	84.4	Confident	85.7	Confident	54 Å²	54	67.5 Å²	67.5	28%	0.277	38%	0.375	S	S	.	.	H	α-helix	trans	-66.9	-46.7	175.5	-67.5	165.9	0	0	0	111	K74 W76 R81 N82 Q94	K74-I78 HydrophobicContact CG-CD1 4.22Å; K74-I78 WeakPolarHBondContact O-CG1 3.42Å; K74-I78 PolarHBondContact O-N 2.95Å; K74-I78 VanDerWaalsContact O-N 3.09Å; W76-I78 VanDerWaalsContact C-N 3.33Å; W76-I78 PolarHBondContact O-N 2.99Å; I78-R81 PolarHBondContact O-N 3.44Å; I78-N82 WeakPolarHBondContact O-CB 3.14Å; I78-N82 PolarHBondContact O-N 3.48Å; I78-N82 PolarHBondContact O-ND2 2.66Å; I78-Q94 HydrophobicContact CG2-CB 4.42Å
79	F	87.7	Confident	84.7	Confident	12 Å²	12	67 Å²	67	5%	0.053	38%	0.377	C	S	.	.	H	α-helix	trans	-59	-49.3	179.9	173.1	-102	0	0	0	112.6	F49 L50 S75 W76 N82 T83 A92	F49-F79 HydrophobicContact CE2-CD2 4.33Å; F49-F79 HydrophobicContact CE2-CE1 4.29Å; F49-F79 HydrophobicContact CE2-CE2 4.07Å; F49-F79 HydrophobicContact CE2-CZ 4.06Å; F49-F79 AromaticContact CZ-CD2 3.88Å; F49-F79 HydrophobicContact CZ-CD2 3.88Å; F49-F79 AromaticContact CZ-CE2 3.82Å; F49-F79 HydrophobicContact CZ-CE2 3.82Å; F49-F79 HydrophobicContact CZ-CG 4.4Å; F49-F79 HydrophobicContact CZ-CZ 4.29Å; L50-F79 HydrophobicContact CD1-CE2 4.12Å; L50-F79 HydrophobicContact CD1-CZ 3.83Å; L50-F79 HydrophobicContact CD2-CE1 4.38Å; L50-F79 HydrophobicContact CD2-CZ 3.89Å; L50-F79 HydrophobicContact CG-CZ 4.31Å; S75-F79 VanDerWaalsContact O-CB 3.26Å; S75-F79 WeakPolarHBondContact O-CB 3.41Å; S75-F79 PolarHBondContact O-N 3.3Å; W76-F79 AromaticContact CE3-CD1 3.86Å; W76-F79 HydrophobicContact CE3-CD1 3.86Å; W76-F79 HydrophobicContact CE3-CG 4.5Å; W76-F79 AromaticContact CZ3-CD1 3.95Å; W76-F79 HydrophobicContact CZ3-CD1 3.95Å; W76-F79 HydrophobicContact CZ3-CE1 4.2Å; W76-F79 PolarHBondContact O-N 2.9Å; F79-N82 PolarHBondContact O-N 2.69Å; F79-T83 WeakPolarHBondContact O-CB 3.37Å; F79-T83 PolarHBondContact O-N 2.79Å; F79-T83 PolarHBondContact O-OG1 2.98Å; F79-A92 HydrophobicContact CD2-CB 3.76Å; F79-A92 HydrophobicContact CE2-CB 3.74Å
80	F	91.1	Very high	83.7	Confident	6 Å²	6	65.6 Å²	65.6	3%	0.026	37%	0.371	C	S	.	.	H	α-helix	trans	-71	-34.4	-179.6	-63.3	-48	0	0	0	112.8	V58 M61 Y62 W65 W76 T83 N84	V58-F80 HydrophobicContact CG1-CE1 4.29Å; V58-F80 HydrophobicContact CG1-CZ 4.48Å; M61-F80 HydrophobicContact CB-CE2 4Å; M61-F80 HydrophobicContact CB-CZ 4.03Å; M61-F80 WeakPolarHBondContact O-CE2 3.44Å; Y62-F80 HydrophobicContact CD2-CB 4.17Å; Y62-F80 AromaticContact CD2-CD1 3.43Å; Y62-F80 HydrophobicContact CD2-CD1 3.43Å; Y62-F80 VanDerWaalsContact CD2-CD1 3.43Å; Y62-F80 HydrophobicContact CD2-CD2 4.16Å; Y62-F80 AromaticContact CD2-CE1 3.73Å; Y62-F80 HydrophobicContact CD2-CE1 3.73Å; Y62-F80 HydrophobicContact CD2-CE2 4.41Å; Y62-F80 AromaticContact CD2-CG 3.68Å; Y62-F80 HydrophobicContact CD2-CG 3.68Å; Y62-F80 HydrophobicContact CD2-CZ 4.22Å; Y62-F80 HydrophobicContact CE2-CB 4.29Å; Y62-F80 HydrophobicContact CE2-CD1 4.12Å; Y62-F80 HydrophobicContact CE2-CG 4.28Å; Y62-F80 HydrophobicContact CG-CD1 4.27Å; Y62-F80 HydrophobicContact CG-CE1 4.12Å; Y62-F80 HydrophobicContact CG-CZ 4.45Å; W65-F80 HydrophobicContact CB-CD2 3.74Å; W65-F80 HydrophobicContact CB-CE2 4.12Å; W65-F80 HydrophobicContact CD2-CB 3.6Å; W65-F80 AromaticContact CD2-CD2 3.96Å; W65-F80 HydrophobicContact CD2-CD2 3.96Å; W65-F80 HydrophobicContact CD2-CG 4.16Å; W65-F80 HydrophobicContact CE3-CB 3.72Å; W65-F80 HydrophobicContact CE3-CD2 4.38Å; W65-F80 HydrophobicContact CE3-CG 4.28Å; W65-F80 HydrophobicContact CG-CB 4.17Å; W65-F80 AromaticContact CG-CD2 3.64Å; W65-F80 HydrophobicContact CG-CD2 3.64Å; W65-F80 HydrophobicContact CG-CE2 4.49Å; W65-F80 HydrophobicContact CG-CG 4.33Å; W65-F80 HydrophobicContact CH2-CB 4.09Å; W65-F80 HydrophobicContact CZ2-CB 3.99Å; W65-F80 HydrophobicContact CZ3-CB 3.96Å; W76-F80 HydrophobicContact CB-CD2 4.09Å; W76-F80 HydrophobicContact CB-CE2 3.82Å; W76-F80 HydrophobicContact CD2-CE2 4.28Å; W76-F80 HydrophobicContact CD2-CZ 4.36Å; W76-F80 HydrophobicContact CE3-CE1 4.2Å; W76-F80 AromaticContact CE3-CE2 3.83Å; W76-F80 HydrophobicContact CE3-CE2 3.83Å; W76-F80 AromaticContact CE3-CZ 3.57Å; W76-F80 HydrophobicContact CE3-CZ 3.57Å; W76-F80 HydrophobicContact CG-CE2 4.32Å; W76-F80 HydrophobicContact CZ3-CE1 4.5Å; W76-F80 HydrophobicContact CZ3-CZ 4.09Å; W76-F80 WeakPolarHBondContact O-CB 3.47Å; W76-F80 WeakPolarHBondContact O-CD2 3.46Å; W76-F80 WeakPolarHBondContact O-CG 3.26Å; W76-F80 PolarHBondContact O-N 2.72Å; F80-T83 PolarHBondContact O-N 2.76Å; F80-N84 WeakPolarHBondContact O-CB 3.42Å; F80-N84 PolarHBondContact O-N 2.9Å
81	R	88.8	Confident	82.9	Confident	132 Å²	132	60.4 Å²	60.4	50%	0.498	36%	0.355	S	S	.	.	H	α-helix	trans	-61.4	-47.3	169.8	-76.1	178.6	-155.9	-125.5	6.7	112.2	W65 D77 I78 T83 N84 A85	W65-R81 HydrophobicContact CZ2-CG 3.79Å; D77-R81 VanDerWaalsContact CG-NE 3.32Å; D77-R81 VanDerWaalsContact CG-NH2 3.3Å; D77-R81 WeakPolarHBondContact O-CB 3.47Å; D77-R81 WeakPolarHBondContact O-CG 3.18Å; D77-R81 PolarHBondContact O-N 3.27Å; D77-R81 VanDerWaalsContact O-N 3.11Å; D77-R81 IonicContact OD1-CZ 3.16Å; D77-R81 VanDerWaalsContact OD1-CZ 3.27Å; D77-R81 IonicContact OD1-NE 3.29Å; D77-R81 PolarHBondContact OD1-NE 2.96Å; D77-R81 IonicContact OD1-NH2 2.65Å; D77-R81 PolarHBondContact OD1-NH2 3.34Å; D77-R81 IonicContact OD2-CZ 3.46Å; D77-R81 IonicContact OD2-NE 2.81Å; D77-R81 PolarHBondContact OD2-NE 3.07Å; D77-R81 IonicContact OD2-NH2 3.39Å; D77-R81 PolarHBondContact OD2-NH2 3.18Å; I78-R81 PolarHBondContact O-N 3.44Å; R81-T83 VanDerWaalsContact C-N 3.32Å; R81-T83 PolarHBondContact O-N 3.45Å; R81-N84 PolarHBondContact O-N 2.89Å; R81-A85 VanDerWaalsContact O-CB 3.27Å; R81-A85 WeakPolarHBondContact O-CB 3.4Å; R81-A85 PolarHBondContact O-N 3.11Å
82	N	84.9	Confident	82.2	Confident	45 Å²	45	57.4 Å²	57.4	24%	0.241	33%	0.334	C	S	.	.	H	α-helix	trans	-63.7	-41.3	179.8	-68	-17.4	0	0	0	110.7	I78 F79 A85 G86 A87 A92	I78-N82 WeakPolarHBondContact O-CB 3.14Å; I78-N82 PolarHBondContact O-N 3.48Å; I78-N82 PolarHBondContact O-ND2 2.66Å; F79-N82 PolarHBondContact O-N 2.69Å; N82-A85 PolarHBondContact O-N 3.33Å; N82-G86 PolarHBondContact O-N 3.48Å; N82-A87 HydrophobicContact CB-CB 4.14Å; N82-A87 WeakPolarHBondContact O-CB 3.45Å; N82-A87 PolarHBondContact O-N 3.3Å; N82-A92 HydrophobicContact CB-CB 3.96Å; N82-A92 PolarHBondContact ND2-O 3.16Å
83	T	83.8	Confident	81.6	Confident	60 Å²	60	60.3 Å²	60.3	37%	0.368	34%	0.344	S	S	.	.	H	α-helix	trans	-60.7	-49.6	175.3	-55.3	0	0	0	0	111.4	F79 F80 R81 A85 G86 A92	F79-T83 WeakPolarHBondContact O-CB 3.37Å; F79-T83 PolarHBondContact O-N 2.79Å; F79-T83 PolarHBondContact O-OG1 2.98Å; F80-T83 PolarHBondContact O-N 2.76Å; R81-T83 VanDerWaalsContact C-N 3.32Å; R81-T83 PolarHBondContact O-N 3.45Å; T83-A85 VanDerWaalsContact C-N 3.27Å; T83-A85 PolarHBondContact O-N 2.98Å; T83-G86 PolarHBondContact O-N 3.45Å; T83-A92 WeakPolarHBondContact OG1-CB 3.46Å
84	N	84	Confident	80.5	Confident	92 Å²	92	60.3 Å²	60.3	49%	0.492	34%	0.344	S	S	.	.	H	α-helix	trans	-70.2	-21	178.1	-77.6	7.2	0	0	0	113.6	Y62 W65 F80 R81 G86	Y62-N84 PolarHBondContact OH-ND2 2.98Å; Y62-N84 PolarHBondContact OH-OD1 2.99Å; W65-N84 WeakPolarHBondContact CZ3-ND2 3.44Å; F80-N84 WeakPolarHBondContact O-CB 3.42Å; F80-N84 PolarHBondContact O-N 2.9Å; R81-N84 PolarHBondContact O-N 2.89Å; N84-G86 PolarHBondContact O-N 3.24Å
85	A	82.6	Confident	79.3	Confident	89 Å²	89	57.1 Å²	57.1	74%	0.736	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-0.5	169	0	0	0	0	0	113.4	R81 N82 T83	R81-A85 VanDerWaalsContact O-CB 3.27Å; R81-A85 WeakPolarHBondContact O-CB 3.4Å; R81-A85 PolarHBondContact O-N 3.11Å; N82-A85 PolarHBondContact O-N 3.33Å; T83-A85 VanDerWaalsContact C-N 3.27Å; T83-A85 PolarHBondContact O-N 2.98Å
86	G	78.8	Confident	77.8	Confident	63 Å²	63	59.2 Å²	59.2	65%	0.649	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	84	22.9	177.6	0	0	0	0	0	114.7	N82 T83 N84	N82-G86 PolarHBondContact O-N 3.48Å; T83-G86 PolarHBondContact O-N 3.45Å; N84-G86 PolarHBondContact O-N 3.24Å
87	A	78.8	Confident	75.7	Confident	31 Å²	31	64.4 Å²	64.4	26%	0.256	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-58.7	137.1	173.9	0	0	0	0	0	111.2	N82 A92	N82-A87 HydrophobicContact CB-CB 4.14Å; N82-A87 WeakPolarHBondContact O-CB 3.45Å; N82-A87 PolarHBondContact O-N 3.3Å; A87-A92 HydrophobicContact CB-CB 4.22Å
88	P	74.4	Confident	73.2	Confident	84 Å²	84	67.5 Å²	67.5	55%	0.545	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-56.2	144.1	172.7	-26.8	34.7	0	0	0	112.6	G90 T91	P88-G90 PolarHBondContact O-N 3.07Å; P88-T91 HydrophobicContact CB-CG2 4.46Å; P88-T91 WeakPolarHBondContact CD-OG1 3.37Å; P88-T91 WeakPolarHBondContact O-CB 3.2Å; P88-T91 PolarHBondContact O-N 3.44Å; P88-T91 PolarHBondContact O-OG1 3.4Å
89	P	69.1	Low	71.2	Confident	71 Å²	71	73 Å²	73	46%	0.461	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	140.3	171.8	-25.1	34.6	0	0	0	111.5	A42 T91	A42-P89 HydrophobicContact CB-CB 3.83Å; A42-P89 VanDerWaalsContact CB-O 3.23Å; A42-P89 WeakPolarHBondContact CB-O 3.3Å; P89-T91 VanDerWaalsContact C-N 3.34Å
90	G	69.7	Low	69.2	Low	19 Å²	19	76.3 Å²	76.3	20%	0.196	46%	0.461	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.6	4.4	-170.3	0	0	0	0	0	115	A46 E47 P88	A46-G90 WeakPolarHBondContact CB-O 3.25Å; E47-G90 VanDerWaalsContact CD-N 3.27Å; E47-G90 WeakPolarHBondContact OE2-CA 3.42Å; E47-G90 PolarHBondContact OE2-N 3.24Å; P88-G90 PolarHBondContact O-N 3.07Å
91	T	72.3	Confident	66.6	Low	79 Å²	79	85 Å²	85	49%	0.485	49%	0.493	S	S	.	.	S	Bend	trans	-132.7	-2.6	178.2	72.2	0	0	0	0	114.5	E47 P88 P89	E47-T91 PolarHBondContact OE1-N 3.17Å; P88-T91 HydrophobicContact CB-CG2 4.46Å; P88-T91 WeakPolarHBondContact CD-OG1 3.37Å; P88-T91 WeakPolarHBondContact O-CB 3.2Å; P88-T91 PolarHBondContact O-N 3.44Å; P88-T91 PolarHBondContact O-OG1 3.4Å; P89-T91 VanDerWaalsContact C-N 3.34Å
92	A	75.9	Confident	63.8	Low	3 Å²	3	82 Å²	82	3%	0.025	49%	0.493	C	S	.	.	S	Bend	trans	-76.9	-33.6	177.5	0	0	0	0	0	111	E47 F79 N82 T83 A87 Q94	E47-A92 PolarHBondContact OE1-N 3.4Å; F79-A92 HydrophobicContact CD2-CB 3.76Å; F79-A92 HydrophobicContact CE2-CB 3.74Å; N82-A92 HydrophobicContact CB-CB 3.96Å; N82-A92 PolarHBondContact ND2-O 3.16Å; T83-A92 WeakPolarHBondContact OG1-CB 3.46Å; A87-A92 HydrophobicContact CB-CB 4.22Å; A92-Q94 PolarHBondContact O-N 2.86Å
93	Y	75.6	Confident	61.4	Low	76 Å²	76	83.5 Å²	83.5	30%	0.298	51%	0.507	S	S	.	.			trans	-75.5	122.5	175.1	-177.6	-115.7	0	0	0	111.8	E47 F49 P96	E47-Y93 PolarHBondContact OE1-N 3.03Å; F49-Y93 AromaticContact CE1-CD1 3.98Å; F49-Y93 HydrophobicContact CE1-CD1 3.98Å; F49-Y93 AromaticContact CE1-CD2 3.46Å; F49-Y93 HydrophobicContact CE1-CD2 3.46Å; F49-Y93 VanDerWaalsContact CE1-CD2 3.46Å; F49-Y93 HydrophobicContact CE1-CE1 4.34Å; F49-Y93 AromaticContact CE1-CE2 3.87Å; F49-Y93 HydrophobicContact CE1-CE2 3.87Å; F49-Y93 AromaticContact CE1-CG 3.52Å; F49-Y93 HydrophobicContact CE1-CG 3.52Å; F49-Y93 AromaticContact CZ-CD2 3.75Å; F49-Y93 HydrophobicContact CZ-CD2 3.75Å; F49-Y93 HydrophobicContact CZ-CE2 4.46Å; F49-Y93 AromaticContact CZ-CG 3.94Å; F49-Y93 HydrophobicContact CZ-CG 3.94Å; Y93-P96 WeakPolarHBondContact OH-CD 3.39Å
94	Q	64.9	Low	59.3	Low	123 Å²	123	85.5 Å²	85.5	58%	0.575	52%	0.515	S	S	*	.			trans	-106.9	122.9	158.2	-67	-177.3	-6.6	0	0	107.6	I78 A92	I78-Q94 HydrophobicContact CG2-CB 4.42Å; A92-Q94 PolarHBondContact O-N 2.86Å
95	S	58	Low	56.9	Low	85 Å²	85	84.8 Å²	84.8	59%	0.594	52%	0.521	S	S	*	.			trans	-53	136.4	170.8	-178.9	0	0	0	0	109.6	L97	S95-L97 PolarHBondContact O-N 2.81Å
96	P	50.9	Low	54.6	Low	67 Å²	67	86.2 Å²	86.2	44%	0.435	52%	0.521	S	S	.	.			trans	-47.3	142.6	161.5	-25.7	34.6	0	0	0	110	Y93 S98	Y93-P96 WeakPolarHBondContact OH-CD 3.39Å; P96-S98 PolarHBondContact O-N 3.08Å
97	L	45.4	Very low	52.6	Low	140 Å²	140	88.4 Å²	88.4	73%	0.733	52%	0.516	S	S	*	.			trans	-58.4	111.2	176.8	-77.6	166.4	0	0	0	109.1	S95 R101	S95-L97 PolarHBondContact O-N 2.81Å; L97-R101 HydrophobicContact CD2-CB 4.41Å
98	S	36.4	Very low	50.4	Low	87 Å²	87	89.5 Å²	89.5	61%	0.608	53%	0.525	S	S	*	.			trans	-53.7	149.8	162.2	177.9	0	0	0	0	109.4	P96 S100	P96-S98 PolarHBondContact O-N 3.08Å; S98-S100 PolarHBondContact O-N 3.31Å
99	L	43.2	Very low	48.5	Very low	170 Å²	170	94.2 Å²	94.2	89%	0.89	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	48.6	177.6	-76.5	163.5	0	0	0	112.1
100	S	44.4	Very low	46.9	Very low	81 Å²	81	93.2 Å²	93.2	57%	0.566	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137	-7.9	-172.2	162.5	0	0	0	0	112.3	S98	S98-S100 PolarHBondContact O-N 3.31Å
101	R	36.9	Very low	45.1	Very low	187 Å²	187	99.4 Å²	99.4	71%	0.706	56%	0.561	S	S	*	*	S	Bend	trans	-129.2	-13.3	179.1	-79	-172.8	168.4	171.4	-2.9	117	L97 S103 L104	L97-R101 HydrophobicContact CD2-CB 4.41Å; R101-S103 VanDerWaalsContact C-N 3.32Å; R101-S103 PolarHBondContact O-N 2.99Å; R101-L104 HydrophobicContact CG-CD1 4.41Å; R101-L104 PolarHBondContact O-N 3.33Å
102	S	30.5	Very low	43.4	Very low	70 Å²	70	100.5 Å²	100.5	49%	0.49	57%	0.572	S	S	.	*	H	α-helix	trans	-74.3	-19.7	177	42.4	0	0	0	0	113.9	L104	S102-L104 VanDerWaalsContact C-N 3.3Å; S102-L104 PolarHBondContact O-N 3.39Å
103	S	34.6	Very low	41.6	Very low	76 Å²	76	108 Å²	108	53%	0.531	61%	0.611	S	S	.	*	H	α-helix	trans	-71.1	-19.3	172.4	46.3	0	0	0	0	114.1	R101	R101-S103 VanDerWaalsContact C-N 3.32Å; R101-S103 PolarHBondContact O-N 2.99Å
104	L	39.8	Very low	39.8	Very low	102 Å²	102	109.4 Å²	109.4	53%	0.534	63%	0.627	S	S	.	*	H	α-helix	trans	-83.7	-26.2	-177.3	-72.2	163.1	0	0	0	113.1	R101 S102 M107	R101-L104 HydrophobicContact CG-CD1 4.41Å; R101-L104 PolarHBondContact O-N 3.33Å; S102-L104 VanDerWaalsContact C-N 3.3Å; S102-L104 PolarHBondContact O-N 3.39Å; L104-M107 PolarHBondContact O-N 2.93Å
105	A	33.5	Very low	38.8	Very low	77 Å²	77	113.2 Å²	113.2	64%	0.636	65%	0.645	S	S	*	*	H	α-helix	trans	-70.3	-35.2	-176.5	0	0	0	0	0	113.1	M107 A108	A105-M107 VanDerWaalsContact C-N 3.3Å; A105-M107 PolarHBondContact O-N 3.27Å; A105-A108 PolarHBondContact O-N 3.47Å
106	T	33.8	Very low	38.1	Very low	120 Å²	120	112.5 Å²	112.5	74%	0.736	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.9	-11.3	175.7	38.2	0	0	0	0	113.7
107	M	35.8	Very low	37.7	Very low	108 Å²	108	115.4 Å²	115.4	53%	0.532	65%	0.652	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.6	-15.3	172.1	-62.4	-157.9	76.6	0	0	113.4	L104 A105 H109 A110 Q111	L104-M107 PolarHBondContact O-N 2.93Å; A105-M107 VanDerWaalsContact C-N 3.3Å; A105-M107 PolarHBondContact O-N 3.27Å; M107-H109 PolarHBondContact O-N 2.98Å; M107-A110 PolarHBondContact O-N 3.17Å; M107-Q111 PolarHBondContact O-N 3.07Å
108	A	34.2	Very low	38	Very low	54 Å²	54	114.8 Å²	114.8	45%	0.446	66%	0.656	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.7	-0.3	-179.7	0	0	0	0	0	115.1	A105	A105-A108 PolarHBondContact O-N 3.47Å
109	H	33	Very low	39.2	Very low	183 Å²	183	116 Å²	116	85%	0.847	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.3	7.5	167.3	-86.5	16.4	0	0	0	113.8	M107	M107-H109 PolarHBondContact O-N 2.98Å
110	A	35.3	Very low	40.6	Very low	51 Å²	51	111.8 Å²	111.8	42%	0.421	64%	0.637	S	S	.	*	T	Hydrogen-bonded Turn	trans	-100	-14.2	162.9	0	0	0	0	0	112.4	M107 S112 L113	M107-A110 PolarHBondContact O-N 3.17Å; A110-S112 PolarHBondContact O-N 2.99Å; A110-S112 VanDerWaalsContact O-N 3.12Å; A110-L113 PolarHBondContact O-N 2.91Å
111	Q	32.8	Very low	42.1	Very low	148 Å²	148	113.5 Å²	113.5	69%	0.692	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	11.7	-176.4	-79	179	-39.8	0	0	115.9	M107	M107-Q111 PolarHBondContact O-N 3.07Å
112	S	36.9	Very low	44.2	Very low	102 Å²	102	108.3 Å²	108.3	71%	0.713	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.8	4.2	170.8	57.4	0	0	0	0	114.1	A110	A110-S112 PolarHBondContact O-N 2.99Å; A110-S112 VanDerWaalsContact O-N 3.12Å
113	L	38.3	Very low	46.6	Very low	160 Å²	160	109.6 Å²	109.6	84%	0.838	62%	0.623	S	S	*	*	S	Bend	trans	-135.7	11.6	-177.9	-73.5	175.6	0	0	0	114.7	A110	A110-L113 PolarHBondContact O-N 2.91Å
114	V	38.1	Very low	48.9	Very low	106 Å²	106	109.4 Å²	109.4	64%	0.642	62%	0.619	S	S	*	*			trans	-134.9	67.6	-179.8	-167.1	0	0	0	0	111.6	A116	V114-A116 VanDerWaalsContact C-N 3.26Å; V114-A116 WeakPolarHBondContact CG1-O 3.41Å; V114-A116 PolarHBondContact O-N 2.89Å
115	E	43.1	Very low	51.1	Low	204 Å²	204	110.8 Å²	110.8	95%	0.953	62%	0.622	S	S	*	*			trans	-87	58.7	165.1	-70.5	-168	125.2	0	0	111.2
116	A	43.7	Very low	53.6	Low	70 Å²	70	107.7 Å²	107.7	58%	0.579	60%	0.595	S	S	*	*			trans	-169.6	136.9	173.3	0	0	0	0	0	109.3	V114	V114-A116 VanDerWaalsContact C-N 3.26Å; V114-A116 WeakPolarHBondContact CG1-O 3.41Å; V114-A116 PolarHBondContact O-N 2.89Å
117	Q	41.6	Very low	56.3	Low	128 Å²	128	104.6 Å²	104.6	60%	0.598	57%	0.572	S	S	*	*			cis	-140.5	145	6.6	-59.2	177.9	-6.5	0	0	110.4	N119	Q117-N119 PolarHBondContact O-N 3.38Å
118	P	51.4	Low	58.7	Low	126 Å²	126	104 Å²	104	82%	0.818	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.9	1.1	176.3	-22.4	34	0	0	0	116.6
119	N	62.6	Low	61.4	Low	112 Å²	112	101.9 Å²	101.9	60%	0.599	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.9	-13.2	-169.2	-152.4	31.8	0	0	0	113.3	Q117 L123	Q117-N119 PolarHBondContact O-N 3.38Å; N119-L123 WeakPolarHBondContact O-CB 3.29Å; N119-L123 PolarHBondContact O-N 3.44Å
120	V	71.9	Confident	64.1	Low	82 Å²	82	93.3 Å²	93.3	50%	0.497	51%	0.514	S	S	.	.	H	α-helix	trans	-81.3	-47	-177.1	-178.7	0	0	0	0	111.1	K122 L123 V124	V120-K122 PolarHBondContact O-N 2.77Å; V120-L123 PolarHBondContact O-N 3.31Å; V120-L123 VanDerWaalsContact O-N 3.09Å; V120-V124 PolarHBondContact O-N 3.34Å
121	D	76.6	Confident	66.8	Low	117 Å²	117	95.2 Å²	95.2	63%	0.626	51%	0.514	S	S	*	.	H	α-helix	trans	-59.8	-47.5	-179.6	-59.8	-43.3	0	0	0	111	L123 V124 E125	D121-L123 VanDerWaalsContact C-N 3.3Å; D121-L123 PolarHBondContact O-N 2.78Å; D121-V124 WeakPolarHBondContact O-CB 3.25Å; D121-V124 PolarHBondContact O-N 3.45Å; D121-V124 VanDerWaalsContact O-N 3.09Å; D121-E125 WeakPolarHBondContact O-CG 3.36Å; D121-E125 PolarHBondContact O-N 2.76Å
122	K	79.8	Confident	69.5	Low	79 Å²	79	91 Å²	91	34%	0.343	50%	0.501	S	S	.	.	H	α-helix	trans	-61.6	-35.5	175	178.3	158.1	-179.3	140.1	0	112.9	V120 V124 E125 D126	V120-K122 PolarHBondContact O-N 2.77Å; K122-V124 VanDerWaalsContact C-N 3.32Å; K122-V124 PolarHBondContact O-N 2.73Å; K122-E125 PolarHBondContact O-N 2.83Å; K122-D126 WeakPolarHBondContact CE-OD1 3.36Å; K122-D126 WeakPolarHBondContact O-CB 3.38Å; K122-D126 VanDerWaalsContact O-CG 3.25Å; K122-D126 PolarHBondContact O-N 3.14Å
123	L	81	Confident	72.1	Confident	96 Å²	96	86.4 Å²	86.4	50%	0.503	47%	0.468	S	S	.	.	H	α-helix	trans	-66.8	-35.6	175.7	-177	142.8	0	0	0	111.6	N119 V120 D121 H127	N119-L123 WeakPolarHBondContact O-CB 3.29Å; N119-L123 PolarHBondContact O-N 3.44Å; V120-L123 PolarHBondContact O-N 3.31Å; V120-L123 VanDerWaalsContact O-N 3.09Å; D121-L123 VanDerWaalsContact C-N 3.3Å; D121-L123 PolarHBondContact O-N 2.78Å; L123-H127 WeakPolarHBondContact O-CB 3.31Å; L123-H127 PolarHBondContact O-CD2 2.99Å; L123-H127 VanDerWaalsContact O-CD2 3.26Å; L123-H127 PolarHBondContact O-N 3.31Å
124	V	84.5	Confident	74.7	Confident	73 Å²	73	78.8 Å²	78.8	44%	0.442	43%	0.429	S	S	.	.	H	α-helix	trans	-68.2	-41.5	172.3	175.3	0	0	0	0	111.3	V120 D121 K122 H127 L128	V120-V124 PolarHBondContact O-N 3.34Å; D121-V124 WeakPolarHBondContact O-CB 3.25Å; D121-V124 PolarHBondContact O-N 3.45Å; D121-V124 VanDerWaalsContact O-N 3.09Å; K122-V124 VanDerWaalsContact C-N 3.32Å; K122-V124 PolarHBondContact O-N 2.73Å; V124-H127 PolarHBondContact O-N 3.26Å; V124-L128 HydrophobicContact CG1-CD1 4Å; V124-L128 HydrophobicContact CG1-CG 4.46Å; V124-L128 WeakPolarHBondContact O-CG 3.43Å; V124-L128 PolarHBondContact O-N 2.84Å
125	E	85.4	Confident	77.3	Confident	130 Å²	130	80 Å²	80	61%	0.607	42%	0.422	S	S	*	.	H	α-helix	trans	-60.7	-50.4	174.1	-70.2	178	155.7	0	0	111.9	D121 K122 H127 L128 A129	D121-E125 WeakPolarHBondContact O-CG 3.36Å; D121-E125 PolarHBondContact O-N 2.76Å; K122-E125 PolarHBondContact O-N 2.83Å; E125-H127 VanDerWaalsContact C-N 3.28Å; E125-H127 PolarHBondContact O-N 3.12Å; E125-L128 PolarHBondContact O-N 3.46Å; E125-A129 WeakPolarHBondContact O-CB 3.47Å; E125-A129 PolarHBondContact O-N 3.31Å
126	D	86.8	Confident	79.5	Confident	12 Å²	12	70.8 Å²	70.8	6%	0.064	38%	0.38	C	S	.	.	H	α-helix	trans	-57	-41.5	176.4	-69.9	-5.6	0	0	0	110.6	K122 A129 V130 L173 K180 F182	K122-D126 WeakPolarHBondContact CE-OD1 3.36Å; K122-D126 WeakPolarHBondContact O-CB 3.38Å; K122-D126 VanDerWaalsContact O-CG 3.25Å; K122-D126 PolarHBondContact O-N 3.14Å; D126-A129 WeakPolarHBondContact O-CB 3.43Å; D126-A129 PolarHBondContact O-N 3.36Å; D126-V130 WeakPolarHBondContact O-CG2 3.48Å; D126-V130 PolarHBondContact O-N 3.01Å; D126-L173 HydrophobicContact CB-CD2 4.36Å; D126-K180 IonicContact OD2-NZ 3.6Å; D126-K180 PolarHBondContact OD2-NZ 3.48Å; D126-F182 HydrophobicContact CB-CE1 3.64Å; D126-F182 HydrophobicContact CB-CZ 3.92Å
127	H	88.6	Confident	81.8	Confident	56 Å²	56	67.5 Å²	67.5	26%	0.259	35%	0.353	S	S	.	.	H	α-helix	trans	-65.3	-43.2	176.1	-97	-78.9	0	0	0	113.4	L123 V124 E125 A129 V130 Q131 F182 H183	L123-H127 WeakPolarHBondContact O-CB 3.31Å; L123-H127 PolarHBondContact O-CD2 2.99Å; L123-H127 VanDerWaalsContact O-CD2 3.26Å; L123-H127 PolarHBondContact O-N 3.31Å; V124-H127 PolarHBondContact O-N 3.26Å; E125-H127 VanDerWaalsContact C-N 3.28Å; E125-H127 PolarHBondContact O-N 3.12Å; H127-A129 VanDerWaalsContact C-N 3.31Å; H127-V130 PolarHBondContact O-N 2.66Å; H127-Q131 PolarHBondContact O-N 3.44Å; H127-F182 AromaticContact CE1-CD1 3.96Å; H127-F182 AromaticContact ND1-CD1 3.98Å; H127-F182 AromaticContact NE2-CD1 3.99Å; H127-H183 PolarHBondContact CE1-N 2.98Å
128	L	88.1	Confident	84.4	Confident	94 Å²	94	61.7 Å²	61.7	49%	0.492	33%	0.326	S	S	.	.	H	α-helix	trans	-67.7	-33	176.7	-71.5	170.9	0	0	0	111.8	V124 E125 S132	V124-L128 HydrophobicContact CG1-CD1 4Å; V124-L128 HydrophobicContact CG1-CG 4.46Å; V124-L128 WeakPolarHBondContact O-CG 3.43Å; V124-L128 PolarHBondContact O-N 2.84Å; E125-L128 PolarHBondContact O-N 3.46Å; L128-S132 WeakPolarHBondContact O-CB 3.43Å; L128-S132 PolarHBondContact O-N 2.89Å; L128-S132 PolarHBondContact O-OG 2.96Å
129	A	89.2	Confident	86.4	Confident	11 Å²	11	58.3 Å²	58.3	9%	0.091	30%	0.302	C	S	.	.	H	α-helix	trans	-62.9	-45.7	170.5	0	0	0	0	0	111.6	E125 D126 H127 S132 L133 Y171 L173	E125-A129 WeakPolarHBondContact O-CB 3.47Å; E125-A129 PolarHBondContact O-N 3.31Å; D126-A129 WeakPolarHBondContact O-CB 3.43Å; D126-A129 PolarHBondContact O-N 3.36Å; H127-A129 VanDerWaalsContact C-N 3.31Å; A129-S132 WeakPolarHBondContact O-CB 3.32Å; A129-S132 PolarHBondContact O-N 2.92Å; A129-L133 WeakPolarHBondContact O-CB 3.24Å; A129-L133 PolarHBondContact O-N 3.34Å; A129-Y171 WeakPolarHBondContact CB-O 3.49Å; A129-L173 HydrophobicContact CB-CD1 4.07Å; A129-L173 HydrophobicContact CB-CD2 4.08Å; A129-L173 HydrophobicContact CB-CG 3.89Å
130	V	90.6	Very high	87.7	Confident	2 Å²	2	56.1 Å²	56.1	1%	0.012	29%	0.286	C	S	.	.	H	α-helix	trans	-64.5	-39.8	176.1	172.3	0	0	0	0	112.2	D126 H127 S132 L133 I134 L173 F182 L199 I202	D126-V130 WeakPolarHBondContact O-CG2 3.48Å; D126-V130 PolarHBondContact O-N 3.01Å; H127-V130 PolarHBondContact O-N 2.66Å; V130-S132 VanDerWaalsContact C-N 3.32Å; V130-S132 PolarHBondContact O-N 2.81Å; V130-L133 WeakPolarHBondContact O-CB 3.3Å; V130-L133 PolarHBondContact O-N 3.08Å; V130-I134 HydrophobicContact CG1-CD1 4.06Å; V130-I134 WeakPolarHBondContact O-CD1 3.41Å; V130-I134 WeakPolarHBondContact O-CG1 2.77Å; V130-I134 PolarHBondContact O-N 3.1Å; V130-L173 HydrophobicContact CG2-CD1 4.13Å; V130-L173 HydrophobicContact CG2-CD2 4.5Å; V130-F182 HydrophobicContact CB-CG 4.49Å; V130-F182 HydrophobicContact CG1-CB 4.28Å; V130-F182 HydrophobicContact CG1-CG 4.48Å; V130-F182 HydrophobicContact CG2-CD1 4.04Å; V130-F182 HydrophobicContact CG2-CD2 3.9Å; V130-F182 HydrophobicContact CG2-CE1 4.17Å; V130-F182 HydrophobicContact CG2-CE2 4.01Å; V130-F182 HydrophobicContact CG2-CG 3.9Å; V130-F182 HydrophobicContact CG2-CZ 4.15Å; V130-L199 HydrophobicContact CG2-CD1 3.96Å; V130-I202 HydrophobicContact CG1-CD1 3.83Å; V130-I202 HydrophobicContact CG1-CG2 4.45Å
131	Q	91.3	Very high	88.6	Confident	92 Å²	92	52.2 Å²	52.2	43%	0.43	26%	0.262	S	S	.	.	H	α-helix	trans	-63	-39.8	172.7	-175.3	177.3	-0.4	0	0	111.9	H127 R135 P185	H127-Q131 PolarHBondContact O-N 3.44Å; Q131-R135 WeakPolarHBondContact O-CB 3.37Å; Q131-R135 PolarHBondContact O-N 3.36Å; Q131-P185 HydrophobicContact CG-CG 4.39Å
132	S	90.2	Very high	89.4	Confident	59 Å²	59	47 Å²	47	41%	0.413	23%	0.234	S	C	.	.	H	α-helix	trans	-67.2	-36.6	176.9	-59.7	0	0	0	0	112.1	L128 A129 V130 R135 A136	L128-S132 WeakPolarHBondContact O-CB 3.43Å; L128-S132 PolarHBondContact O-N 2.89Å; L128-S132 PolarHBondContact O-OG 2.96Å; A129-S132 WeakPolarHBondContact O-CB 3.32Å; A129-S132 PolarHBondContact O-N 2.92Å; V130-S132 VanDerWaalsContact C-N 3.32Å; V130-S132 PolarHBondContact O-N 2.81Å; S132-R135 PolarHBondContact O-N 2.91Å; S132-A136 WeakPolarHBondContact O-CB 3.35Å; S132-A136 PolarHBondContact O-N 3.29Å
133	L	90.6	Very high	89.9	Confident	5 Å²	5	45.6 Å²	45.6	3%	0.026	23%	0.229	C	C	.	.	H	α-helix	trans	-64.3	-50.3	174.8	-175.1	65.7	0	0	0	111.4	A129 V130 R135 A136 Y137 V164 Y171 L173 L199 I203	A129-L133 WeakPolarHBondContact O-CB 3.24Å; A129-L133 PolarHBondContact O-N 3.34Å; V130-L133 WeakPolarHBondContact O-CB 3.3Å; V130-L133 PolarHBondContact O-N 3.08Å; L133-R135 VanDerWaalsContact C-N 3.3Å; L133-R135 PolarHBondContact O-N 3.01Å; L133-A136 WeakPolarHBondContact O-CB 3.09Å; L133-A136 PolarHBondContact O-N 2.7Å; L133-Y137 HydrophobicContact CD1-CD2 4.24Å; L133-Y137 HydrophobicContact CD1-CE2 3.9Å; L133-Y137 HydrophobicContact CG-CD2 4.35Å; L133-Y137 HydrophobicContact CG-CE2 4.24Å; L133-Y137 WeakPolarHBondContact O-CD2 3.18Å; L133-Y137 PolarHBondContact O-N 2.69Å; L133-Y137 VanDerWaalsContact O-N 3.07Å; L133-V164 HydrophobicContact CD1-CG2 3.81Å; L133-Y171 HydrophobicContact CD1-CD2 4.13Å; L133-Y171 HydrophobicContact CD1-CE2 4.15Å; L133-L173 HydrophobicContact CD2-CD1 4.45Å; L133-L199 HydrophobicContact CD2-CD1 3.89Å; L133-I203 HydrophobicContact CD2-CG1 3.97Å
134	I	93.2	Very high	90.2	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-54.2	-48.3	174	-69.9	160.1	0	0	0	110.2	V130 A136 Y137 Q138 P185 T188 I190 I202 L206	V130-I134 HydrophobicContact CG1-CD1 4.06Å; V130-I134 WeakPolarHBondContact O-CD1 3.41Å; V130-I134 WeakPolarHBondContact O-CG1 2.77Å; V130-I134 PolarHBondContact O-N 3.1Å; I134-A136 VanDerWaalsContact C-N 3.31Å; I134-A136 PolarHBondContact O-N 3.33Å; I134-Y137 PolarHBondContact O-N 2.87Å; I134-Q138 WeakPolarHBondContact O-CG 3.26Å; I134-Q138 PolarHBondContact O-N 3.1Å; I134-P185 HydrophobicContact CD1-CG 3.9Å; I134-T188 HydrophobicContact CD1-CG2 4.19Å; I134-T188 HydrophobicContact CG2-CG2 4.28Å; I134-I190 HydrophobicContact CG1-CD1 4.48Å; I134-I202 HydrophobicContact CD1-CG2 4.41Å; I134-I202 HydrophobicContact CG1-CG2 4.13Å; I134-L206 HydrophobicContact CB-CD1 4.45Å; I134-L206 HydrophobicContact CG1-CD1 3.9Å; I134-L206 HydrophobicContact CG1-CD2 4.4Å; I134-L206 HydrophobicContact CG2-CD2 4.34Å
135	R	92.4	Very high	90.6	Very high	132 Å²	132	40.8 Å²	40.8	50%	0.498	20%	0.203	S	C	.	.	H	α-helix	trans	-62	-35.6	177.2	-178.4	63.9	-174.3	-145	7.6	112.5	Q131 S132 L133 Q138 V139	Q131-R135 WeakPolarHBondContact O-CB 3.37Å; Q131-R135 PolarHBondContact O-N 3.36Å; S132-R135 PolarHBondContact O-N 2.91Å; L133-R135 VanDerWaalsContact C-N 3.3Å; L133-R135 PolarHBondContact O-N 3.01Å; R135-Q138 PolarHBondContact O-N 2.88Å; R135-V139 HydrophobicContact CG-CG2 4.29Å; R135-V139 VanDerWaalsContact NE-CG2 3.3Å; R135-V139 WeakPolarHBondContact O-CB 3.18Å; R135-V139 WeakPolarHBondContact O-CG2 3.43Å; R135-V139 PolarHBondContact O-N 3.43Å
136	A	90.9	Very high	91.1	Very high	10 Å²	10	40.1 Å²	40.1	8%	0.083	20%	0.198	C	C	.	.	H	α-helix	trans	-67	-41.8	178.3	0	0	0	0	0	112.4	S132 L133 I134 V139 R140 Y171	S132-A136 WeakPolarHBondContact O-CB 3.35Å; S132-A136 PolarHBondContact O-N 3.29Å; L133-A136 WeakPolarHBondContact O-CB 3.09Å; L133-A136 PolarHBondContact O-N 2.7Å; I134-A136 VanDerWaalsContact C-N 3.31Å; I134-A136 PolarHBondContact O-N 3.33Å; A136-V139 PolarHBondContact O-N 3.24Å; A136-R140 WeakPolarHBondContact O-CB 3.3Å; A136-R140 PolarHBondContact O-N 3.38Å; A136-Y171 VanDerWaalsContact CB-OH 3.3Å; A136-Y171 WeakPolarHBondContact CB-OH 2.9Å
137	Y	92.1	Very high	91.5	Very high	1 Å²	1	40.3 Å²	40.3	0%	0.004	20%	0.199	C	C	.	.	H	α-helix	trans	-65	-44.9	172.9	-84.6	-92.2	0	0	0	111.8	L133 I134 V139 R140 G141 V164 L206 E207 C211	L133-Y137 HydrophobicContact CD1-CD2 4.24Å; L133-Y137 HydrophobicContact CD1-CE2 3.9Å; L133-Y137 HydrophobicContact CG-CD2 4.35Å; L133-Y137 HydrophobicContact CG-CE2 4.24Å; L133-Y137 WeakPolarHBondContact O-CD2 3.18Å; L133-Y137 PolarHBondContact O-N 2.69Å; L133-Y137 VanDerWaalsContact O-N 3.07Å; I134-Y137 PolarHBondContact O-N 2.87Å; Y137-V139 VanDerWaalsContact C-N 3.27Å; Y137-V139 PolarHBondContact O-N 2.92Å; Y137-R140 PolarHBondContact O-N 3.02Å; Y137-G141 WeakPolarHBondContact O-CA 3.43Å; Y137-G141 PolarHBondContact O-N 3.21Å; Y137-V164 HydrophobicContact CE2-CG2 3.88Å; Y137-V164 VanDerWaalsContact OH-CG2 3.3Å; Y137-V164 WeakPolarHBondContact OH-CG2 3.38Å; Y137-L206 HydrophobicContact CD1-CB 3.8Å; Y137-L206 HydrophobicContact CD2-CB 4.05Å; Y137-L206 HydrophobicContact CD2-CD1 3.79Å; Y137-L206 HydrophobicContact CD2-CG 4.48Å; Y137-L206 HydrophobicContact CE1-CB 4.23Å; Y137-L206 HydrophobicContact CE2-CB 4.45Å; Y137-L206 HydrophobicContact CE2-CD1 4.33Å; Y137-L206 HydrophobicContact CG-CB 3.7Å; Y137-L206 HydrophobicContact CG-CD1 4.14Å; Y137-L206 HydrophobicContact CG-CG 4.36Å; Y137-E207 HydrophobicContact CE1-CG 3.62Å; Y137-E207 WeakPolarHBondContact OH-CG 3.28Å; Y137-E207 PolarHBondContact OH-OE1 2.94Å; Y137-C211 VanDerWaalsContact CD1-SG 3.6Å
138	Q	94.8	Very high	91.8	Very high	5 Å²	5	38.7 Å²	38.7	2%	0.023	19%	0.192	C	C	.	.	H	α-helix	trans	-59.7	-35	176.7	-70.9	177.5	-5	0	0	113.2	I134 R135 T187 Y210 F218 M219 E235	I134-Q138 WeakPolarHBondContact O-CG 3.26Å; I134-Q138 PolarHBondContact O-N 3.1Å; R135-Q138 PolarHBondContact O-N 2.88Å; Q138-T187 PolarHBondContact NE2-O 3.43Å; Q138-Y210 HydrophobicContact CB-CE2 4.48Å; Q138-Y210 HydrophobicContact CG-CE2 3.8Å; Q138-F218 HydrophobicContact CB-CZ 4.44Å; Q138-M219 HydrophobicContact CB-CE 3.76Å; Q138-M219 HydrophobicContact CB-CG 4.26Å; Q138-M219 HydrophobicContact CB-SD 4.13Å; Q138-M219 WeakPolarHBondContact O-CG 3.4Å; Q138-E235 WeakPolarHBondContact CG-OE1 3.3Å; Q138-E235 PolarHBondContact NE2-OE1 2.71Å
139	V	92.9	Very high	92.2	Very high	55 Å²	55	35 Å²	35	33%	0.333	17%	0.173	S	C	.	.	H	α-helix	trans	-91.6	-25.9	-176.3	178	0	0	0	0	113.4	R135 A136 Y137 H142 M219	R135-V139 HydrophobicContact CG-CG2 4.29Å; R135-V139 VanDerWaalsContact NE-CG2 3.3Å; R135-V139 WeakPolarHBondContact O-CB 3.18Å; R135-V139 WeakPolarHBondContact O-CG2 3.43Å; R135-V139 PolarHBondContact O-N 3.43Å; A136-V139 PolarHBondContact O-N 3.24Å; Y137-V139 VanDerWaalsContact C-N 3.27Å; Y137-V139 PolarHBondContact O-N 2.92Å; V139-H142 PolarHBondContact O-NE2 2.96Å; V139-H142 VanDerWaalsContact O-NE2 3.13Å; V139-M219 HydrophobicContact CG2-CB 3.86Å; V139-M219 HydrophobicContact CG2-CE 3.73Å; V139-M219 HydrophobicContact CG2-CG 3.91Å
140	R	91	Very high	92.5	Very high	67 Å²	67	34.5 Å²	34.5	25%	0.253	17%	0.169	S	C	.	.	H	α-helix	trans	-139.3	1.5	-170.1	-55.7	-170.9	-64.3	-160.9	1.2	115.3	A136 Y137 H142 H143 P161 V162	A136-R140 WeakPolarHBondContact O-CB 3.3Å; A136-R140 PolarHBondContact O-N 3.38Å; Y137-R140 PolarHBondContact O-N 3.02Å; R140-H142 PolarHBondContact O-N 3.46Å; R140-H143 VanDerWaalsContact O-CB 3.27Å; R140-H143 WeakPolarHBondContact O-CB 3.31Å; R140-H143 PolarHBondContact O-N 3.13Å; R140-P161 PolarHBondContact NH2-O 2.91Å; R140-V162 HydrophobicContact CB-CG2 3.57Å
141	G	91.6	Very high	92.5	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-59.3	-33.6	-178	0	0	0	0	0	113.2	Y137 H143 I144 A145 Y210 C211	Y137-G141 WeakPolarHBondContact O-CA 3.43Å; Y137-G141 PolarHBondContact O-N 3.21Å; G141-H143 PolarHBondContact O-N 3.18Å; G141-I144 CarbonylContact O-C 3.32Å; G141-I144 VanDerWaalsContact O-CG1 3.25Å; G141-I144 WeakPolarHBondContact O-CG1 3.43Å; G141-I144 PolarHBondContact O-N 3.22Å; G141-A145 PolarHBondContact O-N 2.9Å; G141-Y210 CarbonylContact C-O 3.59Å; G141-Y210 VanDerWaalsContact O-O 3.1Å; G141-C211 PolarHBondContact O-SG 3.12Å
142	H	92.7	Very high	92.4	Very high	8 Å²	8	36.3 Å²	36.3	4%	0.037	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-60.8	-21.7	174.2	64.5	94	0	0	0	114.3	V139 R140 I144 Y210 E217 Y456	V139-H142 PolarHBondContact O-NE2 2.96Å; V139-H142 VanDerWaalsContact O-NE2 3.13Å; R140-H142 PolarHBondContact O-N 3.46Å; H142-I144 PolarHBondContact O-N 3.35Å; H142-Y210 PolarHBondContact N-O 2.98Å; H142-E217 HydrophobicContact CB-CG 4.48Å; H142-E217 IonicContact CE1-OE2 3.81Å; H142-E217 PolarHBondContact CE1-OE2 3.48Å; H142-E217 WeakPolarHBondContact ND1-CG 3.48Å; H142-E217 IonicContact ND1-OE2 2.78Å; H142-E217 IonicContact NE2-OE2 3.01Å; H142-Y456 AromaticContact ND1-CE2 3.61Å; H142-Y456 AromaticContact ND1-CZ 3.65Å; H142-Y456 PolarHBondContact ND1-OH 3.39Å; H142-Y456 PolarHBondContact O-OH 3.36Å; H142-Y456 VanDerWaalsContact O-OH 3.05Å
143	H	89.5	Confident	91.7	Very high	49 Å²	49	37 Å²	37	23%	0.227	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-65.2	-29.5	171.9	-66.7	178.8	0	0	0	112.4	R140 G141 F157	R140-H143 VanDerWaalsContact O-CB 3.27Å; R140-H143 WeakPolarHBondContact O-CB 3.31Å; R140-H143 PolarHBondContact O-N 3.13Å; G141-H143 PolarHBondContact O-N 3.18Å; H143-F157 HydrophobicContact CB-CB 4.27Å; H143-F157 HydrophobicContact CB-CD1 4.17Å; H143-F157 HydrophobicContact CB-CD2 3.65Å; H143-F157 HydrophobicContact CB-CE1 4.32Å; H143-F157 HydrophobicContact CB-CE2 3.82Å; H143-F157 HydrophobicContact CB-CG 3.82Å; H143-F157 HydrophobicContact CB-CZ 4.14Å; H143-F157 AromaticContact CD2-CD1 3.73Å; H143-F157 AromaticContact CD2-CE1 3.28Å; H143-F157 WeakPolarHBondContact CD2-CE1 3.23Å; H143-F157 AromaticContact CD2-CZ 3.45Å; H143-F157 VanDerWaalsContact CD2-CZ 3.45Å; H143-F157 WeakPolarHBondContact CD2-CZ 3.43Å; H143-F157 AromaticContact CE1-CD1 3.77Å; H143-F157 AromaticContact CE1-CE1 3.89Å; H143-F157 AromaticContact CG-CD1 3.64Å; H143-F157 AromaticContact CG-CE1 3.68Å; H143-F157 AromaticContact CG-CG 3.81Å; H143-F157 AromaticContact CG-CZ 3.88Å; H143-F157 AromaticContact ND1-CD1 3.66Å; H143-F157 AromaticContact ND1-CG 3.99Å; H143-F157 AromaticContact NE2-CD1 3.83Å; H143-F157 AromaticContact NE2-CE1 3.46Å; H143-F157 WeakPolarHBondContact NE2-CE1 3.46Å; H143-F157 WeakPolarHBondContact O-CD2 3.49Å; H143-F157 WeakPolarHBondContact O-CE2 3.3Å
144	I	88.5	Confident	90.3	Very high	52 Å²	52	39.4 Å²	39.4	27%	0.267	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-113.2	11.7	-176.3	66.3	165.6	0	0	0	112.4	G141 H142 V162 T163 C211	G141-I144 CarbonylContact O-C 3.32Å; G141-I144 VanDerWaalsContact O-CG1 3.25Å; G141-I144 WeakPolarHBondContact O-CG1 3.43Å; G141-I144 PolarHBondContact O-N 3.22Å; H142-I144 PolarHBondContact O-N 3.35Å; I144-V162 HydrophobicContact CD1-CB 4.01Å; I144-V162 HydrophobicContact CD1-CG1 3.72Å; I144-V162 HydrophobicContact CG1-CB 4.47Å; I144-V162 HydrophobicContact CG1-CG1 4.18Å; I144-V162 HydrophobicContact CG2-CB 4.44Å; I144-T163 HydrophobicContact CD1-CG2 4.03Å; I144-T163 HydrophobicContact CG2-CG2 4.22Å; I144-C211 HydrophobicContact CD1-CB 4.39Å; I144-C211 HydrophobicContact CG1-CB 4.15Å; I144-C211 VanDerWaalsContact CG1-SG 3.59Å
145	A	92.7	Very high	88.9	Confident	16 Å²	16	41.5 Å²	41.5	13%	0.132	23%	0.231	C	C	.	.	S	Bend	trans	-71	145.4	173.7	0	0	0	0	0	111.6	G141 L147 Q212	G141-A145 PolarHBondContact O-N 2.9Å; A145-L147 HydrophobicContact CB-CD1 4.17Å; A145-L147 HydrophobicContact CB-CD2 4.01Å; A145-L147 HydrophobicContact CB-CG 3.73Å; A145-L147 PolarHBondContact O-N 2.89Å; A145-Q212 CarbonylContact C-O 3.58Å
146	K	94.6	Very high	87.5	Confident	115 Å²	115	40.5 Å²	40.5	50%	0.5	24%	0.236	S	C	.	.			trans	-81.2	52.8	-176.8	-61.5	170	-172.2	167.2	0	111	Q212 N472	K146-Q212 PolarHBondContact N-O 2.87Å; K146-N472 PolarHBondContact O-ND2 3.36Å
147	L	95.8	Very high	86.4	Confident	17 Å²	17	42.1 Å²	42.1	9%	0.089	24%	0.241	C	C	.	.			trans	-74.5	-38	-169.7	-62.6	173.7	0	0	0	113.4	A145 P149 Y456 H470 N472 V502	A145-L147 HydrophobicContact CB-CD1 4.17Å; A145-L147 HydrophobicContact CB-CD2 4.01Å; A145-L147 HydrophobicContact CB-CG 3.73Å; A145-L147 PolarHBondContact O-N 2.89Å; L147-P149 VanDerWaalsContact O-CD 3.29Å; L147-P149 WeakPolarHBondContact O-CD 3.43Å; L147-Y456 HydrophobicContact CD1-CE1 4.33Å; L147-H470 HydrophobicContact CD1-CB 3.6Å; L147-H470 HydrophobicContact CD2-CB 3.62Å; L147-H470 WeakPolarHBondContact CD2-O 3.26Å; L147-H470 HydrophobicContact CG-CB 4.22Å; L147-N472 VanDerWaalsContact O-CA 3.28Å; L147-N472 WeakPolarHBondContact O-CA 3.37Å; L147-N472 VanDerWaalsContact O-CB 3.26Å; L147-N472 WeakPolarHBondContact O-CB 3.45Å; L147-N472 PolarHBondContact O-ND2 3.33Å; L147-V502 HydrophobicContact CB-CB 4.45Å; L147-V502 HydrophobicContact CB-CG1 4.45Å; L147-V502 HydrophobicContact CB-CG2 4.22Å; L147-V502 WeakPolarHBondContact O-CB 3.47Å; L147-V502 WeakPolarHBondContact O-CG1 3.2Å
148	D	95.9	Very high	84.5	Confident	22 Å²	22	48.5 Å²	48.5	12%	0.118	28%	0.275	C	S	.	.			trans	-82	115.4	-174.6	171.8	26.5	0	0	0	111.9	L150 G151 I152 S153 Q441	D148-L150 PolarHBondContact O-N 3.29Å; D148-L150 VanDerWaalsContact OD1-CB 3.3Å; D148-L150 WeakPolarHBondContact OD1-CB 3.22Å; D148-L150 PolarHBondContact OD1-N 3.45Å; D148-G151 PolarHBondContact O-N 3.06Å; D148-G151 WeakPolarHBondContact OD2-CA 3.41Å; D148-G151 PolarHBondContact OD2-N 2.86Å; D148-I152 PolarHBondContact OD2-N 2.86Å; D148-S153 PolarHBondContact OD2-N 3Å; D148-Q441 PolarHBondContact OD1-NE2 2.95Å
149	P	95.8	Very high	82.4	Confident	15 Å²	15	56 Å²	56	10%	0.097	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-24.8	175.1	23.1	-32.6	0	0	0	113.7	L147 N472 D474 Y504 Q529	L147-P149 VanDerWaalsContact O-CD 3.29Å; L147-P149 WeakPolarHBondContact O-CD 3.43Å; P149-N472 WeakPolarHBondContact CB-OD1 3.34Å; P149-D474 HydrophobicContact CB-CB 4.08Å; P149-D474 WeakPolarHBondContact CB-OD2 3.23Å; P149-Y504 HydrophobicContact CB-CD1 4.29Å; P149-Y504 HydrophobicContact CB-CE1 4.38Å; P149-Y504 HydrophobicContact CG-CD1 3.86Å; P149-Y504 HydrophobicContact CG-CE1 4.39Å; P149-Q529 PolarHBondContact O-NE2 2.89Å
150	L	95.1	Very high	80.3	Confident	2 Å²	2	54.4 Å²	54.4	1%	0.01	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-28.5	-176.2	-57.8	-174.6	0	0	0	113	D148 I152 Y504 M522 Q525 I526 Q529	D148-L150 PolarHBondContact O-N 3.29Å; D148-L150 VanDerWaalsContact OD1-CB 3.3Å; D148-L150 WeakPolarHBondContact OD1-CB 3.22Å; D148-L150 PolarHBondContact OD1-N 3.45Å; L150-I152 VanDerWaalsContact C-N 3.34Å; L150-I152 HydrophobicContact CB-CB 4.49Å; L150-I152 HydrophobicContact CB-CD1 4.09Å; L150-I152 HydrophobicContact CB-CG1 3.85Å; L150-I152 HydrophobicContact CB-CG2 4.14Å; L150-I152 HydrophobicContact CD1-CD1 3.62Å; L150-I152 HydrophobicContact CD1-CG1 4.21Å; L150-Y504 HydrophobicContact CD2-CD1 3.86Å; L150-Y504 HydrophobicContact CD2-CE1 4.49Å; L150-Y504 HydrophobicContact CD2-CG 3.89Å; L150-Y504 HydrophobicContact CG-CD1 4.5Å; L150-M522 HydrophobicContact CD1-CE 4.14Å; L150-M522 HydrophobicContact CD1-CG 4Å; L150-Q525 HydrophobicContact CB-CG 4.27Å; L150-Q525 VanDerWaalsContact O-CG 3.26Å; L150-Q525 WeakPolarHBondContact O-CG 3.47Å; L150-Q525 PolarHBondContact O-NE2 3.06Å; L150-I526 HydrophobicContact CD1-CD1 4.13Å; L150-I526 HydrophobicContact CD1-CG1 3.87Å; L150-I526 HydrophobicContact CD2-CG1 3.67Å; L150-I526 HydrophobicContact CG-CG1 4.46Å; L150-Q529 HydrophobicContact CD2-CG 3.66Å
151	G	91.9	Very high	78.3	Confident	67 Å²	67	52.8 Å²	52.8	69%	0.691	31%	0.306	S	S	*	.	S	Bend	trans	68.2	32.8	-172.1	0	0	0	0	0	113.1	D148	D148-G151 PolarHBondContact O-N 3.06Å; D148-G151 WeakPolarHBondContact OD2-CA 3.41Å; D148-G151 PolarHBondContact OD2-N 2.86Å
152	I	87.4	Confident	76.5	Confident	65 Å²	65	53 Å²	53	33%	0.333	31%	0.308	S	S	.	.			trans	-117.9	-1.6	178.3	73.2	178.7	0	0	0	113.2	D148 L150 C154 M522 Q525	D148-I152 PolarHBondContact OD2-N 2.86Å; L150-I152 VanDerWaalsContact C-N 3.34Å; L150-I152 HydrophobicContact CB-CB 4.49Å; L150-I152 HydrophobicContact CB-CD1 4.09Å; L150-I152 HydrophobicContact CB-CG1 3.85Å; L150-I152 HydrophobicContact CB-CG2 4.14Å; L150-I152 HydrophobicContact CD1-CD1 3.62Å; L150-I152 HydrophobicContact CD1-CG1 4.21Å; I152-C154 PolarHBondContact O-N 3.44Å; I152-M522 HydrophobicContact CD1-CB 3.71Å; I152-M522 HydrophobicContact CD1-CG 3.66Å; I152-Q525 HydrophobicContact CG2-CB 4.24Å; I152-Q525 HydrophobicContact CG2-CG 4.05Å
153	S	75.4	Confident	74.5	Confident	72 Å²	72	55.6 Å²	55.6	50%	0.503	32%	0.324	S	S	.	.			trans	-44.3	126.7	-179.5	-176.5	0	0	0	0	111.7	D148	D148-S153 PolarHBondContact OD2-N 3Å
154	C	61.7	Low	72.5	Confident	56 Å²	56	54 Å²	54	38%	0.378	32%	0.317	S	S	.	.			trans	-112	15.5	-175.4	52.5	0	0	0	0	112.2	I152 N156 R449	I152-C154 PolarHBondContact O-N 3.44Å; C154-N156 PolarHBondContact O-N 3.46Å; C154-N156 VanDerWaalsContact O-N 3.13Å; C154-R449 WeakPolarHBondContact SG-CD 3.34Å; C154-R449 VanDerWaalsContact SG-CG 3.58Å; C154-R449 PolarHBondContact SG-NE 3.09Å
155	V	65.1	Low	70.4	Confident	46 Å²	46	56.8 Å²	56.8	28%	0.279	34%	0.342	S	S	.	.			trans	-72.9	102.3	173	-171.2	0	0	0	0	107.9	F157 P455	V155-F157 HydrophobicContact CB-CE2 4.04Å; V155-F157 HydrophobicContact CB-CZ 4.39Å; V155-F157 HydrophobicContact CG1-CD1 4.36Å; V155-F157 HydrophobicContact CG1-CD2 3.99Å; V155-F157 HydrophobicContact CG1-CE1 3.83Å; V155-F157 HydrophobicContact CG1-CE2 3.42Å; V155-F157 VanDerWaalsContact CG1-CE2 3.42Å; V155-F157 HydrophobicContact CG1-CG 4.44Å; V155-F157 HydrophobicContact CG1-CZ 3.35Å; V155-P455 HydrophobicContact CG1-CB 3.89Å
156	N	62.7	Low	68.1	Low	110 Å²	110	60.4 Å²	60.4	59%	0.588	37%	0.366	S	S	*	.			trans	-79.5	123.1	177.9	-172.5	-64.4	0	0	0	109.4	C154 D158	C154-N156 PolarHBondContact O-N 3.46Å; C154-N156 VanDerWaalsContact O-N 3.13Å; N156-D158 VanDerWaalsContact CG-CG 3.48Å; N156-D158 PolarHBondContact ND2-OD1 3.48Å; N156-D158 PolarHBondContact ND2-OD2 3.44Å; N156-D158 WeakPolarHBondContact OD1-CB 3.36Å; N156-D158 PolarHBondContact OD1-N 2.77Å; N156-D158 PolarHBondContact OD1-OD1 3.26Å; N156-D158 PolarHBondContact OD1-OD2 2.88Å
157	F	66.8	Low	66.1	Low	44 Å²	44	57 Å²	57	19%	0.193	35%	0.354	C	S	.	.			trans	-122.8	28.2	175.4	-63.9	-70	0	0	0	110.5	H143 V155 D159 A160 P455 Y456	H143-F157 HydrophobicContact CB-CB 4.27Å; H143-F157 HydrophobicContact CB-CD1 4.17Å; H143-F157 HydrophobicContact CB-CD2 3.65Å; H143-F157 HydrophobicContact CB-CE1 4.32Å; H143-F157 HydrophobicContact CB-CE2 3.82Å; H143-F157 HydrophobicContact CB-CG 3.82Å; H143-F157 HydrophobicContact CB-CZ 4.14Å; H143-F157 AromaticContact CD2-CD1 3.73Å; H143-F157 AromaticContact CD2-CE1 3.28Å; H143-F157 WeakPolarHBondContact CD2-CE1 3.23Å; H143-F157 AromaticContact CD2-CZ 3.45Å; H143-F157 VanDerWaalsContact CD2-CZ 3.45Å; H143-F157 WeakPolarHBondContact CD2-CZ 3.43Å; H143-F157 AromaticContact CE1-CD1 3.77Å; H143-F157 AromaticContact CE1-CE1 3.89Å; H143-F157 AromaticContact CG-CD1 3.64Å; H143-F157 AromaticContact CG-CE1 3.68Å; H143-F157 AromaticContact CG-CG 3.81Å; H143-F157 AromaticContact CG-CZ 3.88Å; H143-F157 AromaticContact ND1-CD1 3.66Å; H143-F157 AromaticContact ND1-CG 3.99Å; H143-F157 AromaticContact NE2-CD1 3.83Å; H143-F157 AromaticContact NE2-CE1 3.46Å; H143-F157 WeakPolarHBondContact NE2-CE1 3.46Å; H143-F157 WeakPolarHBondContact O-CD2 3.49Å; H143-F157 WeakPolarHBondContact O-CE2 3.3Å; V155-F157 HydrophobicContact CB-CE2 4.04Å; V155-F157 HydrophobicContact CB-CZ 4.39Å; V155-F157 HydrophobicContact CG1-CD1 4.36Å; V155-F157 HydrophobicContact CG1-CD2 3.99Å; V155-F157 HydrophobicContact CG1-CE1 3.83Å; V155-F157 HydrophobicContact CG1-CE2 3.42Å; V155-F157 VanDerWaalsContact CG1-CE2 3.42Å; V155-F157 HydrophobicContact CG1-CG 4.44Å; V155-F157 HydrophobicContact CG1-CZ 3.35Å; F157-D159 PolarHBondContact O-N 3.37Å; F157-A160 HydrophobicContact CB-CB 4.35Å; F157-A160 WeakPolarHBondContact O-CB 3.34Å; F157-A160 PolarHBondContact O-N 2.88Å; F157-P455 HydrophobicContact CE1-CB 3.9Å; F157-P455 HydrophobicContact CE1-CG 4.14Å; F157-P455 HydrophobicContact CZ-CB 4.04Å; F157-Y456 HydrophobicContact CZ-CE2 4.26Å; F157-Y456 AromaticContact CZ-CZ 3.98Å
158	D	51.8	Low	63.9	Low	135 Å²	135	57.5 Å²	57.5	72%	0.722	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-18.3	-162	-65.8	-4.5	0	0	0	114.2	N156 A160	N156-D158 VanDerWaalsContact CG-CG 3.48Å; N156-D158 PolarHBondContact ND2-OD1 3.48Å; N156-D158 PolarHBondContact ND2-OD2 3.44Å; N156-D158 WeakPolarHBondContact OD1-CB 3.36Å; N156-D158 PolarHBondContact OD1-N 2.77Å; N156-D158 PolarHBondContact OD1-OD1 3.26Å; N156-D158 PolarHBondContact OD1-OD2 2.88Å; D158-A160 VanDerWaalsContact C-N 3.29Å; D158-A160 PolarHBondContact O-N 2.93Å
159	D	50.7	Low	61.7	Low	163 Å²	163	58.9 Å²	58.9	87%	0.872	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	1.5	171.3	-70.3	-43	0	0	0	114.3	F157 P161	F157-D159 PolarHBondContact O-N 3.37Å; D159-P161 WeakPolarHBondContact O-CD 3.42Å
160	A	50.3	Low	59.8	Low	22 Å²	22	64.6 Å²	64.6	18%	0.182	40%	0.4	C	S	.	.			trans	-104.9	94.6	-174.1	0	0	0	0	0	113.4	F157 D158 V162	F157-A160 HydrophobicContact CB-CB 4.35Å; F157-A160 WeakPolarHBondContact O-CB 3.34Å; F157-A160 PolarHBondContact O-N 2.88Å; D158-A160 VanDerWaalsContact C-N 3.29Å; D158-A160 PolarHBondContact O-N 2.93Å; A160-V162 HydrophobicContact CB-CG2 4.41Å; A160-V162 PolarHBondContact O-N 3.2Å
161	P	48.7	Very low	58.6	Low	32 Å²	32	67.6 Å²	67.6	21%	0.208	41%	0.412	C	S	.	.			trans	-69.3	102	174	26.7	-33.4	0	0	0	110.9	R140 D159 F170	R140-P161 PolarHBondContact NH2-O 2.91Å; D159-P161 WeakPolarHBondContact O-CD 3.42Å; P161-F170 HydrophobicContact CB-CD1 4.34Å; P161-F170 HydrophobicContact CB-CD2 4.45Å; P161-F170 HydrophobicContact CB-CE1 4.34Å; P161-F170 HydrophobicContact CB-CE2 4.45Å; P161-F170 HydrophobicContact CB-CG 4.39Å; P161-F170 HydrophobicContact CB-CZ 4.4Å; P161-F170 HydrophobicContact CG-CD1 4.41Å; P161-F170 HydrophobicContact CG-CE1 4.17Å; P161-F170 HydrophobicContact CG-CZ 4.47Å
162	V	52.8	Low	57.5	Low	6 Å²	6	66.6 Å²	66.6	4%	0.036	40%	0.401	C	S	.	.			trans	-134.7	-29.3	175.1	-164.7	0	0	0	0	111.7	R140 I144 A160 V164	R140-V162 HydrophobicContact CB-CG2 3.57Å; I144-V162 HydrophobicContact CD1-CB 4.01Å; I144-V162 HydrophobicContact CD1-CG1 3.72Å; I144-V162 HydrophobicContact CG1-CB 4.47Å; I144-V162 HydrophobicContact CG1-CG1 4.18Å; I144-V162 HydrophobicContact CG2-CB 4.44Å; A160-V162 HydrophobicContact CB-CG2 4.41Å; A160-V162 PolarHBondContact O-N 3.2Å; V162-V164 PolarHBondContact O-N 3.29Å; V162-V164 VanDerWaalsContact O-N 3.11Å
163	T	51.1	Low	57.2	Low	61 Å²	61	63.7 Å²	63.7	37%	0.374	39%	0.386	S	S	.	.			trans	-71.3	100.8	175.8	35.9	0	0	0	0	111.7	I144 S165 N167	I144-T163 HydrophobicContact CD1-CG2 4.03Å; I144-T163 HydrophobicContact CG2-CG2 4.22Å; T163-S165 VanDerWaalsContact C-N 3.35Å; T163-S165 PolarHBondContact O-N 3.43Å; T163-N167 WeakPolarHBondContact O-CB 3.47Å; T163-N167 PolarHBondContact O-ND2 3.05Å
164	V	46.8	Very low	57.4	Low	15 Å²	15	64.9 Å²	64.9	9%	0.091	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-69.5	-28.2	-175.5	177.2	0	0	0	0	113.3	L133 Y137 V162 S166 N167 V168 I203	L133-V164 HydrophobicContact CD1-CG2 3.81Å; Y137-V164 HydrophobicContact CE2-CG2 3.88Å; Y137-V164 VanDerWaalsContact OH-CG2 3.3Å; Y137-V164 WeakPolarHBondContact OH-CG2 3.38Å; V162-V164 PolarHBondContact O-N 3.29Å; V162-V164 VanDerWaalsContact O-N 3.11Å; V164-S166 PolarHBondContact O-N 3.1Å; V164-N167 CarbonylContact O-C 3.6Å; V164-N167 PolarHBondContact O-N 2.95Å; V164-V168 HydrophobicContact CG1-CG2 4.07Å; V164-V168 WeakPolarHBondContact O-CG2 3.47Å; V164-V168 PolarHBondContact O-N 3.14Å; V164-V168 VanDerWaalsContact O-N 3.14Å; V164-I203 HydrophobicContact CG1-CD1 4Å
165	S	46.3	Very low	58.3	Low	112 Å²	112	69.3 Å²	69.3	78%	0.783	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-59.8	-16.8	-175.3	54.4	0	0	0	0	115.6	T163	T163-S165 VanDerWaalsContact C-N 3.35Å; T163-S165 PolarHBondContact O-N 3.43Å
166	S	44.3	Very low	59.1	Low	92 Å²	92	71.6 Å²	71.6	64%	0.643	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-120.8	0.7	169.1	59.3	0	0	0	0	113.8	V164	V164-S166 PolarHBondContact O-N 3.1Å
167	N	51.2	Low	60.2	Low	44 Å²	44	66.7 Å²	66.7	24%	0.235	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-133.6	22.7	-166.4	-66	-58.8	0	0	0	114.3	T163 V164 G169 F170	T163-N167 WeakPolarHBondContact O-CB 3.47Å; T163-N167 PolarHBondContact O-ND2 3.05Å; V164-N167 CarbonylContact O-C 3.6Å; V164-N167 PolarHBondContact O-N 2.95Å; N167-G169 PolarHBondContact O-N 3.29Å; N167-G169 VanDerWaalsContact O-N 3.13Å; N167-F170 HydrophobicContact CB-CB 4.29Å; N167-F170 HydrophobicContact CB-CD2 4.18Å; N167-F170 WeakPolarHBondContact O-CB 3.34Å; N167-F170 PolarHBondContact O-N 3.32Å
168	V	50.1	Low	61.2	Low	27 Å²	27	65.9 Å²	65.9	16%	0.164	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	-50.7	-42.2	179	-162.6	0	0	0	0	111.6	V164 F170 L173 E175	V164-V168 HydrophobicContact CG1-CG2 4.07Å; V164-V168 WeakPolarHBondContact O-CG2 3.47Å; V164-V168 PolarHBondContact O-N 3.14Å; V164-V168 VanDerWaalsContact O-N 3.14Å; V168-F170 VanDerWaalsContact C-N 3.27Å; V168-F170 PolarHBondContact O-N 2.66Å; V168-L173 CarbonylContact C-O 3.54Å; V168-L173 HydrophobicContact CG1-CB 4.16Å; V168-E175 HydrophobicContact CG2-CG 4.45Å
169	G	50	Low	63	Low	51 Å²	51	64.5 Å²	64.5	53%	0.526	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-66.7	-11	178.1	0	0	0	0	0	116.8	N167 Y171 G172 L173	N167-G169 PolarHBondContact O-N 3.29Å; N167-G169 VanDerWaalsContact O-N 3.13Å; G169-Y171 PolarHBondContact O-N 2.66Å; G169-G172 PolarHBondContact O-N 2.81Å; G169-L173 VanDerWaalsContact CA-O 3.25Å; G169-L173 WeakPolarHBondContact CA-O 3.22Å; G169-L173 PolarHBondContact N-O 3.38Å
170	F	56.5	Low	65	Low	135 Å²	135	60.3 Å²	60.3	59%	0.592	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-68.6	-19.4	-177.5	-125.7	-78.8	0	0	0	113.3	P161 N167 V168	P161-F170 HydrophobicContact CB-CD1 4.34Å; P161-F170 HydrophobicContact CB-CD2 4.45Å; P161-F170 HydrophobicContact CB-CE1 4.34Å; P161-F170 HydrophobicContact CB-CE2 4.45Å; P161-F170 HydrophobicContact CB-CG 4.39Å; P161-F170 HydrophobicContact CB-CZ 4.4Å; P161-F170 HydrophobicContact CG-CD1 4.41Å; P161-F170 HydrophobicContact CG-CE1 4.17Å; P161-F170 HydrophobicContact CG-CZ 4.47Å; N167-F170 HydrophobicContact CB-CB 4.29Å; N167-F170 HydrophobicContact CB-CD2 4.18Å; N167-F170 WeakPolarHBondContact O-CB 3.34Å; N167-F170 PolarHBondContact O-N 3.32Å; V168-F170 VanDerWaalsContact C-N 3.27Å; V168-F170 PolarHBondContact O-N 2.66Å
171	Y	68.3	Low	67	Low	65 Å²	65	63.8 Å²	63.8	26%	0.255	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-111.6	12.5	175.9	-67.2	-80.8	0	0	0	112.8	A129 L133 A136 G169 L173	A129-Y171 WeakPolarHBondContact CB-O 3.49Å; L133-Y171 HydrophobicContact CD1-CD2 4.13Å; L133-Y171 HydrophobicContact CD1-CE2 4.15Å; A136-Y171 VanDerWaalsContact CB-OH 3.3Å; A136-Y171 WeakPolarHBondContact CB-OH 2.9Å; G169-Y171 PolarHBondContact O-N 2.66Å; Y171-L173 PolarHBondContact O-N 2.71Å
172	G	70.5	Confident	69.2	Low	45 Å²	45	62.5 Å²	62.5	46%	0.464	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.8	1	-176.6	0	0	0	0	0	115.3	G169	G169-G172 PolarHBondContact O-N 2.81Å
173	L	80.4	Confident	71.1	Confident	4 Å²	4	68.3 Å²	68.3	2%	0.021	39%	0.391	C	S	.	.			trans	-85.1	156.3	174.6	-60.9	168.9	0	0	0	110.6	D126 A129 V130 L133 V168 G169 Y171 L199	D126-L173 HydrophobicContact CB-CD2 4.36Å; A129-L173 HydrophobicContact CB-CD1 4.07Å; A129-L173 HydrophobicContact CB-CD2 4.08Å; A129-L173 HydrophobicContact CB-CG 3.89Å; V130-L173 HydrophobicContact CG2-CD1 4.13Å; V130-L173 HydrophobicContact CG2-CD2 4.5Å; L133-L173 HydrophobicContact CD2-CD1 4.45Å; V168-L173 CarbonylContact C-O 3.54Å; V168-L173 HydrophobicContact CG1-CB 4.16Å; G169-L173 VanDerWaalsContact CA-O 3.25Å; G169-L173 WeakPolarHBondContact CA-O 3.22Å; G169-L173 PolarHBondContact N-O 3.38Å; Y171-L173 PolarHBondContact O-N 2.71Å; L173-L199 HydrophobicContact CB-CD2 4.5Å; L173-L199 HydrophobicContact CD1-CD1 4.35Å; L173-L199 HydrophobicContact CD1-CD2 4Å; L173-L199 HydrophobicContact CD2-CD2 4.36Å
174	H	79.1	Confident	73.2	Confident	98 Å²	98	66.8 Å²	66.8	45%	0.454	38%	0.381	S	S	.	.			trans	-129.7	168	177.1	-60.4	-73.3	0	0	0	111.7	S176 D177	H174-S176 PolarHBondContact O-N 3.17Å; H174-D177 IonicContact CD2-OD2 2.81Å; H174-D177 PolarHBondContact N-OD2 3.06Å; H174-D177 WeakPolarHBondContact O-CB 3.46Å; H174-D177 PolarHBondContact O-N 2.75Å
175	E	80.6	Confident	75.3	Confident	148 Å²	148	67.4 Å²	67.4	69%	0.692	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-59.2	-28.7	175.9	-64.9	-171	139.1	0	0	112.9	V168 D177 L178	V168-E175 HydrophobicContact CG2-CG 4.45Å; E175-D177 PolarHBondContact O-N 3.45Å; E175-L178 HydrophobicContact CB-CD1 4.29Å; E175-L178 WeakPolarHBondContact O-CB 3.18Å; E175-L178 WeakPolarHBondContact O-CG 3.35Å; E175-L178 PolarHBondContact O-N 3Å
176	S	82.9	Confident	77.3	Confident	95 Å²	95	68.4 Å²	68.4	66%	0.664	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-62.2	-18.7	172.4	54.1	0	0	0	0	114.1	H174	H174-S176 PolarHBondContact O-N 3.17Å
177	D	86	Confident	79.5	Confident	7 Å²	7	66.3 Å²	66.3	4%	0.037	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-94.6	-8.1	-176.2	-54.7	-42.8	0	0	0	112.2	H174 E175 D179 K180 L199	H174-D177 IonicContact CD2-OD2 2.81Å; H174-D177 PolarHBondContact N-OD2 3.06Å; H174-D177 WeakPolarHBondContact O-CB 3.46Å; H174-D177 PolarHBondContact O-N 2.75Å; E175-D177 PolarHBondContact O-N 3.45Å; D177-D179 PolarHBondContact O-N 3.46Å; D177-K180 HydrophobicContact CB-CD 3.96Å; D177-K180 WeakPolarHBondContact O-CB 3.11Å; D177-K180 PolarHBondContact O-N 3.46Å; D177-K180 WeakPolarHBondContact OD1-CE 3.33Å; D177-K180 IonicContact OD1-NZ 3.48Å; D177-K180 PolarHBondContact OD1-NZ 2.78Å; D177-L199 HydrophobicContact CB-CD2 4.17Å; D177-L199 WeakPolarHBondContact O-CB 3.46Å
178	L	86.9	Confident	81.5	Confident	27 Å²	27	64.8 Å²	64.8	14%	0.141	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-33.6	-177.4	-71.7	173.4	0	0	0	113.3	E175 L199 R200 I203	E175-L178 HydrophobicContact CB-CD1 4.29Å; E175-L178 WeakPolarHBondContact O-CB 3.18Å; E175-L178 WeakPolarHBondContact O-CG 3.35Å; E175-L178 PolarHBondContact O-N 3Å; L178-L199 HydrophobicContact CD2-CD2 4.44Å; L178-L199 HydrophobicContact CD2-CG 4.34Å; L178-L199 PolarHBondContact O-N 2.7Å; L178-R200 HydrophobicContact CB-CB 4.27Å; L178-R200 VanDerWaalsContact O-CB 3.3Å; L178-R200 WeakPolarHBondContact O-CB 3.49Å; L178-R200 PolarHBondContact O-N 3.44Å; L178-I203 HydrophobicContact CD2-CD1 3.74Å
179	D	90.4	Very high	83.7	Confident	105 Å²	105	66.3 Å²	66.3	56%	0.561	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.4	5	-179.2	-56.2	-51.8	0	0	0	113.2	D177 R200	D177-D179 PolarHBondContact O-N 3.46Å; D179-R200 IonicContact OD1-CZ 3.69Å; D179-R200 VanDerWaalsContact OD1-CZ 3.29Å; D179-R200 IonicContact OD1-NE 3.1Å; D179-R200 PolarHBondContact OD1-NE 3.33Å; D179-R200 IonicContact OD1-NH2 3.77Å; D179-R200 PolarHBondContact OD1-NH2 2.85Å; D179-R200 IonicContact OD2-CZ 2.66Å; D179-R200 IonicContact OD2-NE 3.97Å; D179-R200 IonicContact OD2-NH2 2.69Å; D179-R200 PolarHBondContact OD2-NH2 3.39Å
180	K	91.8	Very high	85.9	Confident	75 Å²	75	63.9 Å²	63.9	33%	0.326	34%	0.342	S	S	.	.			trans	-69.4	139.3	165.3	-72.1	176.6	173.5	166.2	0	109.8	D126 D177 F182 P198 L199	D126-K180 IonicContact OD2-NZ 3.6Å; D126-K180 PolarHBondContact OD2-NZ 3.48Å; D177-K180 HydrophobicContact CB-CD 3.96Å; D177-K180 WeakPolarHBondContact O-CB 3.11Å; D177-K180 PolarHBondContact O-N 3.46Å; D177-K180 WeakPolarHBondContact OD1-CE 3.33Å; D177-K180 IonicContact OD1-NZ 3.48Å; D177-K180 PolarHBondContact OD1-NZ 2.78Å; K180-F182 HydrophobicContact CB-CD2 4.31Å; K180-F182 HydrophobicContact CB-CE2 3.56Å; K180-F182 HydrophobicContact CB-CZ 3.91Å; K180-F182 HydrophobicContact CD-CE2 4.34Å; K180-F182 HydrophobicContact CD-CZ 3.92Å; K180-F182 WeakPolarHBondContact O-CD2 3.5Å; K180-P198 CarbonylContact O-C 3.59Å; K180-P198 VanDerWaalsContact O-CA 3.28Å; K180-P198 WeakPolarHBondContact O-CA 3.44Å; K180-L199 PolarHBondContact O-N 3.5Å
181	V	93.2	Very high	87.6	Confident	95 Å²	95	57.7 Å²	57.7	58%	0.576	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.3	129.6	175.6	176.4	0	0	0	0	110.2	A196 L197 P198	V181-A196 HydrophobicContact CG1-CB 3.79Å; V181-L197 WeakPolarHBondContact CA-O 3.37Å; V181-P198 HydrophobicContact CG2-CG 4.23Å
182	F	93.6	Very high	88.7	Confident	6 Å²	6	56.4 Å²	56.4	3%	0.026	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	132.5	178.9	-67	-82.7	0	0	0	111	D126 H127 V130 K180 A196 L197 L199 I202	D126-F182 HydrophobicContact CB-CE1 3.64Å; D126-F182 HydrophobicContact CB-CZ 3.92Å; H127-F182 AromaticContact CE1-CD1 3.96Å; H127-F182 AromaticContact ND1-CD1 3.98Å; H127-F182 AromaticContact NE2-CD1 3.99Å; V130-F182 HydrophobicContact CB-CG 4.49Å; V130-F182 HydrophobicContact CG1-CB 4.28Å; V130-F182 HydrophobicContact CG1-CG 4.48Å; V130-F182 HydrophobicContact CG2-CD1 4.04Å; V130-F182 HydrophobicContact CG2-CD2 3.9Å; V130-F182 HydrophobicContact CG2-CE1 4.17Å; V130-F182 HydrophobicContact CG2-CE2 4.01Å; V130-F182 HydrophobicContact CG2-CG 3.9Å; V130-F182 HydrophobicContact CG2-CZ 4.15Å; K180-F182 HydrophobicContact CB-CD2 4.31Å; K180-F182 HydrophobicContact CB-CE2 3.56Å; K180-F182 HydrophobicContact CB-CZ 3.91Å; K180-F182 HydrophobicContact CD-CE2 4.34Å; K180-F182 HydrophobicContact CD-CZ 3.92Å; K180-F182 WeakPolarHBondContact O-CD2 3.5Å; F182-A196 CarbonylContact O-C 3.6Å; F182-A196 WeakPolarHBondContact O-CA 3.37Å; F182-A196 WeakPolarHBondContact O-CB 3.34Å; F182-L197 PolarHBondContact N-O 2.85Å; F182-L197 PolarHBondContact O-N 3.49Å; F182-L199 HydrophobicContact CD2-CB 3.98Å; F182-L199 HydrophobicContact CE2-CB 3.88Å; F182-L199 HydrophobicContact CE2-CD2 4.39Å; F182-I202 HydrophobicContact CB-CD1 4.02Å
183	H	94	Very high	89.6	Confident	127 Å²	127	63.4 Å²	63.4	59%	0.588	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.6	136.5	164.3	-76	-73.1	0	0	0	111.5	H127 P195	H127-H183 PolarHBondContact CE1-N 2.98Å; H183-P195 WeakPolarHBondContact CA-O 3.49Å; H183-P195 PolarHBondContact ND1-O 3Å
184	L	93.9	Very high	90.2	Very high	30 Å²	30	67.6 Å²	67.6	16%	0.157	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-83.7	140.6	180	-59.2	-179.5	0	0	0	111	T188 I190 G191 P195 L197 I202	L184-T188 HydrophobicContact CB-CG2 4.14Å; L184-I190 HydrophobicContact CD1-CG1 3.96Å; L184-I190 HydrophobicContact CD2-CD1 4.13Å; L184-I190 HydrophobicContact CD2-CG1 4.23Å; L184-G191 VanDerWaalsContact CD1-CA 3.41Å; L184-P195 PolarHBondContact N-O 3.13Å; L184-L197 HydrophobicContact CD1-CD1 4.04Å; L184-L197 HydrophobicContact CD1-CG 4.23Å; L184-L197 HydrophobicContact CD2-CD1 4.46Å; L184-I202 HydrophobicContact CD2-CD1 3.69Å; L184-I202 HydrophobicContact CD2-CG1 3.89Å
185	P	91.7	Very high	90.9	Very high	28 Å²	28	67.5 Å²	67.5	18%	0.182	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-69.9	151	171.3	30.4	-34.1	0	0	0	110.6	Q131 I134 T187 T188	Q131-P185 HydrophobicContact CG-CG 4.39Å; I134-P185 HydrophobicContact CD1-CG 3.9Å; P185-T187 PolarHBondContact O-N 3.25Å; P185-T188 HydrophobicContact CG-CG2 4.07Å; P185-T188 WeakPolarHBondContact O-CG2 3.34Å; P185-T188 PolarHBondContact O-N 2.79Å; P185-T188 VanDerWaalsContact O-N 3.14Å
186	T	87.4	Confident	91.6	Very high	132 Å²	132	61.6 Å²	61.6	81%	0.81	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-1.3	175	54	0	0	0	0	114.3
187	T	90.4	Very high	92.2	Very high	48 Å²	48	57.2 Å²	57.2	29%	0.294	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	15.2	174.6	61.8	0	0	0	0	113.4	Q138 P185 R231	Q138-T187 PolarHBondContact NE2-O 3.43Å; P185-T187 PolarHBondContact O-N 3.25Å; T187-R231 VanDerWaalsContact O-CD 3.28Å; T187-R231 WeakPolarHBondContact O-CD 3.5Å
188	T	94.7	Very high	92.7	Very high	13 Å²	13	59.1 Å²	59.1	8%	0.08	33%	0.329	C	S	.	.			trans	-143.3	152	170.9	-172.7	0	0	0	0	112.9	I134 L184 P185 I190 E235	I134-T188 HydrophobicContact CD1-CG2 4.19Å; I134-T188 HydrophobicContact CG2-CG2 4.28Å; L184-T188 HydrophobicContact CB-CG2 4.14Å; P185-T188 HydrophobicContact CG-CG2 4.07Å; P185-T188 WeakPolarHBondContact O-CG2 3.34Å; P185-T188 PolarHBondContact O-N 2.79Å; P185-T188 VanDerWaalsContact O-N 3.14Å; T188-I190 HydrophobicContact CG2-CD1 4.34Å; T188-I190 HydrophobicContact CG2-CG1 4Å; T188-I190 PolarHBondContact OG1-N 3.04Å; T188-E235 WeakPolarHBondContact CA-OE2 3.35Å; T188-E235 WeakPolarHBondContact CB-OE2 3.35Å; T188-E235 PolarHBondContact OG1-OE1 2.68Å; T188-E235 PolarHBondContact OG1-OE2 3Å
189	F	95.9	Very high	93	Very high	59 Å²	59	57.9 Å²	57.9	26%	0.259	32%	0.322	S	S	.	.			trans	-113.5	7.3	177.4	-58.4	-92	0	0	0	113.1	G191 G192 Q228 R231 Q232 E235	F189-G191 PolarHBondContact O-N 2.88Å; F189-G192 PolarHBondContact O-N 2.75Å; F189-Q228 WeakPolarHBondContact CE2-O 3.32Å; F189-R231 HydrophobicContact CD2-CB 3.7Å; F189-R231 HydrophobicContact CE2-CB 3.93Å; F189-Q232 HydrophobicContact CD1-CB 4.29Å; F189-Q232 HydrophobicContact CD1-CG 4.1Å; F189-Q232 HydrophobicContact CD2-CB 4.01Å; F189-Q232 HydrophobicContact CE1-CB 4.23Å; F189-Q232 HydrophobicContact CE1-CG 4.16Å; F189-Q232 HydrophobicContact CE2-CB 3.94Å; F189-Q232 HydrophobicContact CG-CB 4.17Å; F189-Q232 HydrophobicContact CG-CG 4.36Å; F189-Q232 HydrophobicContact CZ-CB 4.06Å; F189-Q232 HydrophobicContact CZ-CG 4.47Å; F189-E235 HydrophobicContact CB-CB 4.21Å; F189-E235 PolarHBondContact N-OE2 3.02Å
190	I	95.7	Very high	93.1	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-25.1	178	62.3	-178	0	0	0	113.6	I134 L184 T188 G192 L197 I202 R205 L206 E235 P237	I134-I190 HydrophobicContact CG1-CD1 4.48Å; L184-I190 HydrophobicContact CD1-CG1 3.96Å; L184-I190 HydrophobicContact CD2-CD1 4.13Å; L184-I190 HydrophobicContact CD2-CG1 4.23Å; T188-I190 HydrophobicContact CG2-CD1 4.34Å; T188-I190 HydrophobicContact CG2-CG1 4Å; T188-I190 PolarHBondContact OG1-N 3.04Å; I190-G192 VanDerWaalsContact C-N 3.32Å; I190-L197 HydrophobicContact CG1-CD1 4.45Å; I190-I202 HydrophobicContact CD1-CB 4.37Å; I190-I202 HydrophobicContact CD1-CG1 4.43Å; I190-I202 HydrophobicContact CD1-CG2 3.87Å; I190-R205 HydrophobicContact CB-CB 3.94Å; I190-R205 HydrophobicContact CG2-CB 4.14Å; I190-R205 WeakPolarHBondContact O-CD 3.41Å; I190-R205 PolarHBondContact O-NH1 3.37Å; I190-L206 HydrophobicContact CD1-CD2 4.18Å; I190-L206 HydrophobicContact CD1-CG 4.09Å; I190-L206 HydrophobicContact CG2-CD2 4.04Å; I190-L206 HydrophobicContact CG2-CG 4.48Å; I190-E235 WeakPolarHBondContact CA-O 3.34Å; I190-E235 HydrophobicContact CG2-CB 3.79Å; I190-E235 HydrophobicContact CG2-CG 4.14Å; I190-P237 WeakPolarHBondContact O-CG 3.32Å
191	G	92.6	Very high	93.2	Very high	4 Å²	4	57.1 Å²	57.1	4%	0.041	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-24.6	173.8	0	0	0	0	0	114.3	L184 F189 Q193 E194 R205	L184-G191 VanDerWaalsContact CD1-CA 3.41Å; F189-G191 PolarHBondContact O-N 2.88Å; G191-Q193 PolarHBondContact O-N 2.94Å; G191-E194 WeakPolarHBondContact CA-O 3.26Å; G191-E194 WeakPolarHBondContact O-CB 3.28Å; G191-E194 PolarHBondContact O-N 2.73Å; G191-R205 PolarHBondContact O-NH1 2.84Å
192	G	91.4	Very high	93.3	Very high	38 Å²	38	52.6 Å²	52.6	39%	0.392	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.9	-95.1	-166.2	0	0	0	0	0	110.8	F189 I190	F189-G192 PolarHBondContact O-N 2.75Å; I190-G192 VanDerWaalsContact C-N 3.32Å
193	Q	89.3	Confident	93.2	Very high	192 Å²	192	53.1 Å²	53.1	90%	0.897	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.3	-5.8	173.2	-57.8	-60.5	-49	0	0	113	G191 P195	G191-Q193 PolarHBondContact O-N 2.94Å; Q193-P195 WeakPolarHBondContact O-CD 3.29Å
194	E	93.6	Very high	93.2	Very high	92 Å²	92	52.4 Å²	52.4	43%	0.43	28%	0.279	S	S	.	.			trans	-86.4	116.5	-178.4	-59.8	171.2	-81.7	0	0	110.4	G191 A196 L197 R205	G191-E194 WeakPolarHBondContact CA-O 3.26Å; G191-E194 WeakPolarHBondContact O-CB 3.28Å; G191-E194 PolarHBondContact O-N 2.73Å; E194-A196 VanDerWaalsContact C-N 3.26Å; E194-A196 PolarHBondContact O-N 2.9Å; E194-L197 HydrophobicContact CB-CD2 4.07Å; E194-R205 IonicContact OE1-CZ 3.29Å; E194-R205 IonicContact OE1-NH1 3.98Å; E194-R205 PolarHBondContact OE1-NH1 2.91Å; E194-R205 IonicContact OE1-NH2 3.77Å; E194-R205 PolarHBondContact OE1-NH2 3Å; E194-R205 IonicContact OE2-NH2 2.75Å
195	P	92.9	Very high	93.2	Very high	96 Å²	96	52.2 Å²	52.2	62%	0.623	28%	0.276	S	S	*	.	S	Bend	trans	-80.7	-3.3	-177.4	33.5	-37	0	0	0	113.8	H183 L184 Q193	H183-P195 WeakPolarHBondContact CA-O 3.49Å; H183-P195 PolarHBondContact ND1-O 3Å; L184-P195 PolarHBondContact N-O 3.13Å; Q193-P195 WeakPolarHBondContact O-CD 3.29Å
196	A	95.6	Very high	93.3	Very high	25 Å²	25	50.9 Å²	50.9	21%	0.207	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	148.1	178.1	0	0	0	0	0	110.4	V181 F182 E194	V181-A196 HydrophobicContact CG1-CB 3.79Å; F182-A196 CarbonylContact O-C 3.6Å; F182-A196 WeakPolarHBondContact O-CA 3.37Å; F182-A196 WeakPolarHBondContact O-CB 3.34Å; E194-A196 VanDerWaalsContact C-N 3.26Å; E194-A196 PolarHBondContact O-N 2.9Å
197	L	96	Very high	93.5	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.01	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	153.6	-179.4	-70	177.3	0	0	0	111.2	V181 F182 L184 I190 E194 E201 I202	V181-L197 WeakPolarHBondContact CA-O 3.37Å; F182-L197 PolarHBondContact N-O 2.85Å; F182-L197 PolarHBondContact O-N 3.49Å; L184-L197 HydrophobicContact CD1-CD1 4.04Å; L184-L197 HydrophobicContact CD1-CG 4.23Å; L184-L197 HydrophobicContact CD2-CD1 4.46Å; I190-L197 HydrophobicContact CG1-CD1 4.45Å; E194-L197 HydrophobicContact CB-CD2 4.07Å; L197-E201 HydrophobicContact CD1-CG 4.27Å; L197-E201 HydrophobicContact CD2-CG 4.1Å; L197-I202 HydrophobicContact CB-CD1 4.25Å; L197-I202 HydrophobicContact CB-CG1 3.68Å; L197-I202 HydrophobicContact CD1-CG1 4.29Å
198	P	95.4	Very high	93.6	Very high	47 Å²	47	49.8 Å²	49.8	31%	0.305	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58	142.3	163.8	-21.3	32.5	0	0	0	111.6	K180 V181 R200 E201 I202	K180-P198 CarbonylContact O-C 3.59Å; K180-P198 VanDerWaalsContact O-CA 3.28Å; K180-P198 WeakPolarHBondContact O-CA 3.44Å; V181-P198 HydrophobicContact CG2-CG 4.23Å; P198-R200 PolarHBondContact O-N 2.81Å; P198-E201 HydrophobicContact CB-CB 4.4Å; P198-E201 WeakPolarHBondContact O-CA 3.41Å; P198-E201 WeakPolarHBondContact O-CB 3.19Å; P198-E201 PolarHBondContact O-N 3.46Å; P198-I202 PolarHBondContact O-N 3.23Å
199	L	92.4	Very high	93.6	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-54.4	-38.3	178.7	173.4	59.4	0	0	0	112.9	V130 L133 L173 D177 L178 K180 F182 E201 I202 I203	V130-L199 HydrophobicContact CG2-CD1 3.96Å; L133-L199 HydrophobicContact CD2-CD1 3.89Å; L173-L199 HydrophobicContact CB-CD2 4.5Å; L173-L199 HydrophobicContact CD1-CD1 4.35Å; L173-L199 HydrophobicContact CD1-CD2 4Å; L173-L199 HydrophobicContact CD2-CD2 4.36Å; D177-L199 HydrophobicContact CB-CD2 4.17Å; D177-L199 WeakPolarHBondContact O-CB 3.46Å; L178-L199 HydrophobicContact CD2-CD2 4.44Å; L178-L199 HydrophobicContact CD2-CG 4.34Å; L178-L199 PolarHBondContact O-N 2.7Å; K180-L199 PolarHBondContact O-N 3.5Å; F182-L199 HydrophobicContact CD2-CB 3.98Å; F182-L199 HydrophobicContact CE2-CB 3.88Å; F182-L199 HydrophobicContact CE2-CD2 4.39Å; L199-E201 VanDerWaalsContact C-N 3.26Å; L199-E201 PolarHBondContact O-N 3.41Å; L199-I202 WeakPolarHBondContact O-CB 3.23Å; L199-I202 PolarHBondContact O-N 3.39Å; L199-I203 HydrophobicContact CD1-CD1 3.93Å; L199-I203 HydrophobicContact CD1-CG1 4.11Å; L199-I203 HydrophobicContact CG-CD1 3.9Å; L199-I203 WeakPolarHBondContact O-CG1 3.4Å; L199-I203 PolarHBondContact O-N 2.97Å
200	R	93.6	Very high	93.5	Very high	123 Å²	123	46.9 Å²	46.9	46%	0.464	24%	0.239	S	C	.	.	H	α-helix	trans	-54.8	-41.1	172.9	-170.3	-174.5	-57.9	-78.9	2.6	112.4	L178 D179 P198 R204	L178-R200 HydrophobicContact CB-CB 4.27Å; L178-R200 VanDerWaalsContact O-CB 3.3Å; L178-R200 WeakPolarHBondContact O-CB 3.49Å; L178-R200 PolarHBondContact O-N 3.44Å; D179-R200 IonicContact OD1-CZ 3.69Å; D179-R200 VanDerWaalsContact OD1-CZ 3.29Å; D179-R200 IonicContact OD1-NE 3.1Å; D179-R200 PolarHBondContact OD1-NE 3.33Å; D179-R200 IonicContact OD1-NH2 3.77Å; D179-R200 PolarHBondContact OD1-NH2 2.85Å; D179-R200 IonicContact OD2-CZ 2.66Å; D179-R200 IonicContact OD2-NE 3.97Å; D179-R200 IonicContact OD2-NH2 2.69Å; D179-R200 PolarHBondContact OD2-NH2 3.39Å; P198-R200 PolarHBondContact O-N 2.81Å; R200-R204 WeakPolarHBondContact O-CB 3.48Å; R200-R204 PolarHBondContact O-N 2.96Å; R200-R204 VanDerWaalsContact O-N 3.08Å
201	E	94.6	Very high	93.3	Very high	42 Å²	42	47.2 Å²	47.2	20%	0.196	24%	0.241	C	C	.	.	H	α-helix	trans	-80.1	-33.6	179.7	-177.2	63.1	-176.6	0	0	111.7	L197 P198 L199 R204 R205	L197-E201 HydrophobicContact CD1-CG 4.27Å; L197-E201 HydrophobicContact CD2-CG 4.1Å; P198-E201 HydrophobicContact CB-CB 4.4Å; P198-E201 WeakPolarHBondContact O-CA 3.41Å; P198-E201 WeakPolarHBondContact O-CB 3.19Å; P198-E201 PolarHBondContact O-N 3.46Å; L199-E201 VanDerWaalsContact C-N 3.26Å; L199-E201 PolarHBondContact O-N 3.41Å; E201-R204 PolarHBondContact O-N 3.04Å; E201-R204 IonicContact OE1-CZ 2.71Å; E201-R204 IonicContact OE1-NE 3.55Å; E201-R204 IonicContact OE1-NH2 3.56Å; E201-R204 PolarHBondContact OE1-NH2 2.74Å; E201-R204 IonicContact OE2-CZ 3.59Å; E201-R204 IonicContact OE2-NE 3.83Å; E201-R204 PolarHBondContact OE2-NE 3.12Å; E201-R204 IonicContact OE2-NH2 3.81Å; E201-R204 PolarHBondContact OE2-NH2 2.84Å; E201-R205 HydrophobicContact CG-CG 4.47Å; E201-R205 WeakPolarHBondContact O-CB 3.39Å; E201-R205 WeakPolarHBondContact O-CG 3.42Å; E201-R205 PolarHBondContact O-N 3.31Å; E201-R205 IonicContact OE1-CZ 3.68Å; E201-R205 VanDerWaalsContact OE1-CZ 3.31Å; E201-R205 IonicContact OE1-NE 2.87Å; E201-R205 PolarHBondContact OE1-NE 2.94Å; E201-R205 IonicContact OE1-NH2 3.75Å; E201-R205 PolarHBondContact OE1-NH2 3.22Å
202	I	94.4	Very high	93.4	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-57.7	-53.7	170	-67	176.8	0	0	0	110.1	V130 I134 F182 L184 I190 L197 P198 L199 R204 R205 L206	V130-I202 HydrophobicContact CG1-CD1 3.83Å; V130-I202 HydrophobicContact CG1-CG2 4.45Å; I134-I202 HydrophobicContact CD1-CG2 4.41Å; I134-I202 HydrophobicContact CG1-CG2 4.13Å; F182-I202 HydrophobicContact CB-CD1 4.02Å; L184-I202 HydrophobicContact CD2-CD1 3.69Å; L184-I202 HydrophobicContact CD2-CG1 3.89Å; I190-I202 HydrophobicContact CD1-CB 4.37Å; I190-I202 HydrophobicContact CD1-CG1 4.43Å; I190-I202 HydrophobicContact CD1-CG2 3.87Å; L197-I202 HydrophobicContact CB-CD1 4.25Å; L197-I202 HydrophobicContact CB-CG1 3.68Å; L197-I202 HydrophobicContact CD1-CG1 4.29Å; P198-I202 PolarHBondContact O-N 3.23Å; L199-I202 WeakPolarHBondContact O-CB 3.23Å; L199-I202 PolarHBondContact O-N 3.39Å; I202-R204 PolarHBondContact O-N 3.21Å; I202-R205 PolarHBondContact O-N 2.79Å; I202-L206 HydrophobicContact CG2-CD1 3.79Å; I202-L206 HydrophobicContact CG2-CG 4.48Å; I202-L206 WeakPolarHBondContact O-CB 3.44Å; I202-L206 VanDerWaalsContact O-CG 3.27Å; I202-L206 WeakPolarHBondContact O-CG 3.43Å; I202-L206 PolarHBondContact O-N 2.98Å
203	I	92	Very high	93.6	Very high	17 Å²	17	51.5 Å²	51.5	9%	0.087	25%	0.25	C	C	.	.	H	α-helix	trans	-56.9	-50.3	176.9	-67.2	159.8	0	0	0	110	L133 V164 L178 L199 R205 L206 E207	L133-I203 HydrophobicContact CD2-CG1 3.97Å; V164-I203 HydrophobicContact CG1-CD1 4Å; L178-I203 HydrophobicContact CD2-CD1 3.74Å; L199-I203 HydrophobicContact CD1-CD1 3.93Å; L199-I203 HydrophobicContact CD1-CG1 4.11Å; L199-I203 HydrophobicContact CG-CD1 3.9Å; L199-I203 WeakPolarHBondContact O-CG1 3.4Å; L199-I203 PolarHBondContact O-N 2.97Å; I203-R205 VanDerWaalsContact C-N 3.35Å; I203-R205 PolarHBondContact O-N 2.89Å; I203-L206 PolarHBondContact O-N 3.36Å; I203-E207 HydrophobicContact CG2-CG 4.31Å; I203-E207 WeakPolarHBondContact O-CB 3.45Å; I203-E207 WeakPolarHBondContact O-CG 3.42Å; I203-E207 PolarHBondContact O-N 3.07Å
204	R	93.2	Very high	94	Very high	111 Å²	111	43.1 Å²	43.1	42%	0.419	21%	0.211	S	C	.	.	H	α-helix	trans	-58.7	-41.9	-179.3	-165.1	-168	69.5	75.6	2.3	112.8	R200 E201 I202 M208	R200-R204 WeakPolarHBondContact O-CB 3.48Å; R200-R204 PolarHBondContact O-N 2.96Å; R200-R204 VanDerWaalsContact O-N 3.08Å; E201-R204 PolarHBondContact O-N 3.04Å; E201-R204 IonicContact OE1-CZ 2.71Å; E201-R204 IonicContact OE1-NE 3.55Å; E201-R204 IonicContact OE1-NH2 3.56Å; E201-R204 PolarHBondContact OE1-NH2 2.74Å; E201-R204 IonicContact OE2-CZ 3.59Å; E201-R204 IonicContact OE2-NE 3.83Å; E201-R204 PolarHBondContact OE2-NE 3.12Å; E201-R204 IonicContact OE2-NH2 3.81Å; E201-R204 PolarHBondContact OE2-NH2 2.84Å; I202-R204 PolarHBondContact O-N 3.21Å; R204-M208 PolarHBondContact NH1-SD 2.9Å; R204-M208 WeakPolarHBondContact O-CG 3.44Å; R204-M208 PolarHBondContact O-N 3.14Å
205	R	94.8	Very high	94.1	Very high	26 Å²	26	38.8 Å²	38.8	10%	0.098	19%	0.191	C	C	.	.	H	α-helix	trans	-72.6	-37.9	179.1	-68.3	-172.1	-167.1	-177.8	8.4	112.4	I190 G191 E194 E201 I202 I203 M208 A209	I190-R205 HydrophobicContact CB-CB 3.94Å; I190-R205 HydrophobicContact CG2-CB 4.14Å; I190-R205 WeakPolarHBondContact O-CD 3.41Å; I190-R205 PolarHBondContact O-NH1 3.37Å; G191-R205 PolarHBondContact O-NH1 2.84Å; E194-R205 IonicContact OE1-CZ 3.29Å; E194-R205 IonicContact OE1-NH1 3.98Å; E194-R205 PolarHBondContact OE1-NH1 2.91Å; E194-R205 IonicContact OE1-NH2 3.77Å; E194-R205 PolarHBondContact OE1-NH2 3Å; E194-R205 IonicContact OE2-NH2 2.75Å; E201-R205 HydrophobicContact CG-CG 4.47Å; E201-R205 WeakPolarHBondContact O-CB 3.39Å; E201-R205 WeakPolarHBondContact O-CG 3.42Å; E201-R205 PolarHBondContact O-N 3.31Å; E201-R205 IonicContact OE1-CZ 3.68Å; E201-R205 VanDerWaalsContact OE1-CZ 3.31Å; E201-R205 IonicContact OE1-NE 2.87Å; E201-R205 PolarHBondContact OE1-NE 2.94Å; E201-R205 IonicContact OE1-NH2 3.75Å; E201-R205 PolarHBondContact OE1-NH2 3.22Å; I202-R205 PolarHBondContact O-N 2.79Å; I203-R205 VanDerWaalsContact C-N 3.35Å; I203-R205 PolarHBondContact O-N 2.89Å; R205-M208 HydrophobicContact CG-CE 4.36Å; R205-M208 PolarHBondContact O-N 3.04Å; R205-A209 WeakPolarHBondContact O-CB 3.24Å; R205-A209 PolarHBondContact O-N 3.3Å
206	L	93.7	Very high	94.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-63.3	-42.4	172.2	-68.4	168.2	0	0	0	111.8	I134 Y137 I190 I202 I203 M208 A209 Y210	I134-L206 HydrophobicContact CB-CD1 4.45Å; I134-L206 HydrophobicContact CG1-CD1 3.9Å; I134-L206 HydrophobicContact CG1-CD2 4.4Å; I134-L206 HydrophobicContact CG2-CD2 4.34Å; Y137-L206 HydrophobicContact CD1-CB 3.8Å; Y137-L206 HydrophobicContact CD2-CB 4.05Å; Y137-L206 HydrophobicContact CD2-CD1 3.79Å; Y137-L206 HydrophobicContact CD2-CG 4.48Å; Y137-L206 HydrophobicContact CE1-CB 4.23Å; Y137-L206 HydrophobicContact CE2-CB 4.45Å; Y137-L206 HydrophobicContact CE2-CD1 4.33Å; Y137-L206 HydrophobicContact CG-CB 3.7Å; Y137-L206 HydrophobicContact CG-CD1 4.14Å; Y137-L206 HydrophobicContact CG-CG 4.36Å; I190-L206 HydrophobicContact CD1-CD2 4.18Å; I190-L206 HydrophobicContact CD1-CG 4.09Å; I190-L206 HydrophobicContact CG2-CD2 4.04Å; I190-L206 HydrophobicContact CG2-CG 4.48Å; I202-L206 HydrophobicContact CG2-CD1 3.79Å; I202-L206 HydrophobicContact CG2-CG 4.48Å; I202-L206 WeakPolarHBondContact O-CB 3.44Å; I202-L206 VanDerWaalsContact O-CG 3.27Å; I202-L206 WeakPolarHBondContact O-CG 3.43Å; I202-L206 PolarHBondContact O-N 2.98Å; I203-L206 PolarHBondContact O-N 3.36Å; L206-M208 VanDerWaalsContact C-N 3.33Å; L206-M208 PolarHBondContact O-N 2.86Å; L206-A209 PolarHBondContact O-N 2.79Å; L206-Y210 HydrophobicContact CD2-CD2 4.48Å; L206-Y210 PolarHBondContact O-N 2.71Å
207	E	91.8	Very high	94.4	Very high	65 Å²	65	33.5 Å²	33.5	30%	0.304	15%	0.154	S	C	.	.	H	α-helix	trans	-64.3	-35.4	174.9	-76.4	-177.4	170.6	0	0	112.5	Y137 I203 C211 Q212	Y137-E207 HydrophobicContact CE1-CG 3.62Å; Y137-E207 WeakPolarHBondContact OH-CG 3.28Å; Y137-E207 PolarHBondContact OH-OE1 2.94Å; I203-E207 HydrophobicContact CG2-CG 4.31Å; I203-E207 WeakPolarHBondContact O-CB 3.45Å; I203-E207 WeakPolarHBondContact O-CG 3.42Å; I203-E207 PolarHBondContact O-N 3.07Å; E207-C211 CarbonylContact O-C 3.39Å; E207-C211 WeakPolarHBondContact O-CA 3.44Å; E207-C211 WeakPolarHBondContact O-CB 3.19Å; E207-C211 PolarHBondContact O-N 2.8Å; E207-C211 VanDerWaalsContact O-N 3.13Å; E207-Q212 WeakPolarHBondContact O-CG 3.07Å; E207-Q212 PolarHBondContact O-N 2.96Å; E207-Q212 PolarHBondContact O-NE2 3.01Å
208	M	92.1	Very high	94.5	Very high	93 Å²	93	33.5 Å²	33.5	46%	0.458	15%	0.153	S	C	.	.	H	α-helix	trans	-65.1	-46.6	171.2	-74	-161.9	-44	0	0	112.1	R204 R205 L206	R204-M208 PolarHBondContact NH1-SD 2.9Å; R204-M208 WeakPolarHBondContact O-CG 3.44Å; R204-M208 PolarHBondContact O-N 3.14Å; R205-M208 HydrophobicContact CG-CE 4.36Å; R205-M208 PolarHBondContact O-N 3.04Å; L206-M208 VanDerWaalsContact C-N 3.33Å; L206-M208 PolarHBondContact O-N 2.86Å
209	A	93.6	Very high	94.5	Very high	10 Å²	10	32.7 Å²	32.7	8%	0.083	15%	0.146	C	C	.	.	H	α-helix	trans	-70.5	-36.7	-173.6	0	0	0	0	0	113.7	R205 L206 F234 E235	R205-A209 WeakPolarHBondContact O-CB 3.24Å; R205-A209 PolarHBondContact O-N 3.3Å; L206-A209 PolarHBondContact O-N 2.79Å; A209-F234 VanDerWaalsContact CB-O 3.3Å; A209-F234 WeakPolarHBondContact CB-O 3.17Å; A209-E235 HydrophobicContact CB-CG 4.4Å
210	Y	94.3	Very high	94.7	Very high	1 Å²	1	34.9 Å²	34.9	0%	0.004	16%	0.156	C	C	.	.	H	α-helix	trans	-123.9	-8.9	-167.7	-65.8	-62.7	0	0	0	115.8	Q138 G141 H142 L206 V216 F218 E235	Q138-Y210 HydrophobicContact CB-CE2 4.48Å; Q138-Y210 HydrophobicContact CG-CE2 3.8Å; G141-Y210 CarbonylContact C-O 3.59Å; G141-Y210 VanDerWaalsContact O-O 3.1Å; H142-Y210 PolarHBondContact N-O 2.98Å; L206-Y210 HydrophobicContact CD2-CD2 4.48Å; L206-Y210 PolarHBondContact O-N 2.71Å; Y210-V216 HydrophobicContact CD1-CB 4.1Å; Y210-V216 HydrophobicContact CD1-CG2 4.16Å; Y210-V216 HydrophobicContact CE1-CB 4.03Å; Y210-V216 HydrophobicContact CE1-CG2 4.22Å; Y210-F218 AromaticContact CE1-CE1 3.88Å; Y210-F218 HydrophobicContact CE1-CE1 3.88Å; Y210-E235 HydrophobicContact CE2-CG 3.75Å; Y210-E235 WeakPolarHBondContact CE2-OE1 3.49Å; Y210-E235 WeakPolarHBondContact OH-CG 3.34Å; Y210-E235 PolarHBondContact OH-OE1 2.63Å
211	C	92.3	Very high	94.8	Very high	7 Å²	7	29.6 Å²	29.6	5%	0.047	14%	0.136	C	C	.	.	S	Bend	trans	-132.3	11.6	-168.3	-52.8	0	0	0	0	115.3	Y137 G141 I144 E207	Y137-C211 VanDerWaalsContact CD1-SG 3.6Å; G141-C211 PolarHBondContact O-SG 3.12Å; I144-C211 HydrophobicContact CD1-CB 4.39Å; I144-C211 HydrophobicContact CG1-CB 4.15Å; I144-C211 VanDerWaalsContact CG1-SG 3.59Å; E207-C211 CarbonylContact O-C 3.39Å; E207-C211 WeakPolarHBondContact O-CA 3.44Å; E207-C211 WeakPolarHBondContact O-CB 3.19Å; E207-C211 PolarHBondContact O-N 2.8Å; E207-C211 VanDerWaalsContact O-N 3.13Å
212	Q	93.2	Very high	94.8	Very high	63 Å²	63	34.6 Å²	34.6	29%	0.294	17%	0.165	S	C	.	.	S	Bend	trans	-96.5	-137.6	170.9	-52.5	-49.1	-51.2	0	0	110.4	A145 K146 E207 I214	A145-Q212 CarbonylContact C-O 3.58Å; K146-Q212 PolarHBondContact N-O 2.87Å; E207-Q212 WeakPolarHBondContact O-CG 3.07Å; E207-Q212 PolarHBondContact O-N 2.96Å; E207-Q212 PolarHBondContact O-NE2 3.01Å; Q212-I214 PolarHBondContact O-N 3.17Å
213	H	96.5	Very high	94.9	Very high	68 Å²	68	37.3 Å²	37.3	32%	0.315	18%	0.179	S	C	.	.	S	Bend	trans	-75.2	0.6	-178.4	-59.2	148.4	0	0	0	114.3	V471 N472 D475 A478	H213-V471 WeakPolarHBondContact O-CA 3.2Å; H213-N472 HydrophobicContact CB-CB 3.94Å; H213-N472 PolarHBondContact O-N 2.92Å; H213-D475 HydrophobicContact CB-CB 4.03Å; H213-D475 IonicContact CE1-OD2 2.7Å; H213-D475 IonicContact CG-OD2 2.66Å; H213-D475 IonicContact ND1-OD2 3.33Å; H213-D475 PolarHBondContact ND1-OD2 2.88Å; H213-A478 HydrophobicContact CB-CB 4.25Å
214	I	97.8	Very high	95.1	Very high	17 Å²	17	41.6 Å²	41.6	9%	0.087	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	137	174.4	-57.8	172.3	0	0	0	108.5	Q212 V216 F234 M240 H470 V471 A478 Y481 V482	Q212-I214 PolarHBondContact O-N 3.17Å; I214-V216 HydrophobicContact CG2-CG2 3.92Å; I214-F234 HydrophobicContact CG2-CD1 4.14Å; I214-F234 HydrophobicContact CG2-CE1 3.87Å; I214-M240 HydrophobicContact CD1-SD 4.15Å; I214-H470 WeakPolarHBondContact CA-O 3.46Å; I214-V471 HydrophobicContact CG1-CG2 4.25Å; I214-A478 HydrophobicContact CD1-CB 4.11Å; I214-A478 HydrophobicContact CG1-CB 3.89Å; I214-Y481 HydrophobicContact CD1-CD1 4.24Å; I214-V482 HydrophobicContact CD1-CG2 3.88Å; I214-V482 HydrophobicContact CG1-CG2 3.97Å; I214-V482 HydrophobicContact CG2-CG2 3.89Å
215	G	96.4	Very high	95.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	133.9	169.1	0	0	0	0	0	109.5	H470	G215-H470 PolarHBondContact N-O 3.13Å; G215-H470 PolarHBondContact O-N 3.1Å
216	V	97.8	Very high	95.4	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	113.6	-169.6	-169.8	0	0	0	0	109.6	Y210 I214 F218 I230 F234 F469	Y210-V216 HydrophobicContact CD1-CB 4.1Å; Y210-V216 HydrophobicContact CD1-CG2 4.16Å; Y210-V216 HydrophobicContact CE1-CB 4.03Å; Y210-V216 HydrophobicContact CE1-CG2 4.22Å; I214-V216 HydrophobicContact CG2-CG2 3.92Å; V216-F218 HydrophobicContact CB-CD1 4.34Å; V216-F218 HydrophobicContact CG1-CD1 3.64Å; V216-F218 HydrophobicContact CG1-CE1 4.23Å; V216-F218 HydrophobicContact CG1-CG 4.35Å; V216-I230 HydrophobicContact CG1-CG2 3.71Å; V216-F234 HydrophobicContact CG1-CD2 3.9Å; V216-F234 HydrophobicContact CG1-CE2 4Å; V216-F234 HydrophobicContact CG1-CG 4.49Å; V216-F234 HydrophobicContact CG2-CB 4.24Å; V216-F234 HydrophobicContact CG2-CD1 3.78Å; V216-F234 HydrophobicContact CG2-CD2 3.91Å; V216-F234 HydrophobicContact CG2-CE1 4.07Å; V216-F234 HydrophobicContact CG2-CE2 4.19Å; V216-F234 HydrophobicContact CG2-CG 3.7Å; V216-F234 HydrophobicContact CG2-CZ 4.26Å; V216-F469 HydrophobicContact CG1-CD1 3.84Å; V216-F469 HydrophobicContact CG1-CE1 3.86Å
217	E	97.2	Very high	95.6	Very high	11 Å²	11	42.4 Å²	42.4	5%	0.051	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	114.3	169.5	-58.9	-158.6	-78	0	0	110.9	H142 F220 R462 I468 H470	H142-E217 HydrophobicContact CB-CG 4.48Å; H142-E217 IonicContact CE1-OE2 3.81Å; H142-E217 PolarHBondContact CE1-OE2 3.48Å; H142-E217 WeakPolarHBondContact ND1-CG 3.48Å; H142-E217 IonicContact ND1-OE2 2.78Å; H142-E217 IonicContact NE2-OE2 3.01Å; E217-F220 HydrophobicContact CB-CE1 3.84Å; E217-R462 IonicContact OE1-CZ 3.11Å; E217-R462 IonicContact OE1-NH1 3.46Å; E217-R462 IonicContact OE1-NH2 2.68Å; E217-R462 PolarHBondContact OE1-NH2 3.06Å; E217-R462 IonicContact OE2-CZ 3.55Å; E217-R462 IonicContact OE2-NH1 3.86Å; E217-R462 PolarHBondContact OE2-NH1 3.21Å; E217-R462 IonicContact OE2-NH2 2.71Å; E217-R462 PolarHBondContact OE2-NH2 3.06Å; E217-I468 HydrophobicContact CB-CB 4.23Å; E217-I468 PolarHBondContact N-O 3.47Å; E217-I468 PolarHBondContact O-N 2.95Å; E217-H470 IonicContact OE1-NE2 3.68Å; E217-H470 PolarHBondContact OE1-NE2 3.41Å
218	F	97.4	Very high	95.9	Very high	1 Å²	1	42.8 Å²	42.8	0%	0.004	21%	0.214	C	C	.	.			trans	-151.1	-12	-177.8	73	-73.1	0	0	0	114	Q138 Y210 V216 F220 I221 C227 I230 R231	Q138-F218 HydrophobicContact CB-CZ 4.44Å; Y210-F218 AromaticContact CE1-CE1 3.88Å; Y210-F218 HydrophobicContact CE1-CE1 3.88Å; V216-F218 HydrophobicContact CB-CD1 4.34Å; V216-F218 HydrophobicContact CG1-CD1 3.64Å; V216-F218 HydrophobicContact CG1-CE1 4.23Å; V216-F218 HydrophobicContact CG1-CG 4.35Å; F218-F220 PolarHBondContact O-N 3.13Å; F218-F220 VanDerWaalsContact O-N 3.1Å; F218-I221 HydrophobicContact CB-CD1 4.14Å; F218-I221 VanDerWaalsContact O-CB 3.22Å; F218-I221 WeakPolarHBondContact O-CB 3.31Å; F218-I221 VanDerWaalsContact O-CG1 3.23Å; F218-I221 WeakPolarHBondContact O-CG1 3.27Å; F218-I221 PolarHBondContact O-N 3.27Å; F218-C227 HydrophobicContact CD2-CB 4.4Å; F218-C227 HydrophobicContact CE2-CB 4.37Å; F218-C227 WeakPolarHBondContact CE2-O 3.32Å; F218-I230 HydrophobicContact CB-CD1 3.6Å; F218-I230 HydrophobicContact CB-CG2 3.99Å; F218-I230 HydrophobicContact CD1-CG2 3.9Å; F218-I230 HydrophobicContact CD2-CB 3.86Å; F218-I230 HydrophobicContact CD2-CD1 4.18Å; F218-I230 HydrophobicContact CD2-CG2 3.69Å; F218-I230 HydrophobicContact CE1-CG2 4.28Å; F218-I230 HydrophobicContact CE2-CB 4.24Å; F218-I230 HydrophobicContact CE2-CG2 4.07Å; F218-I230 HydrophobicContact CG-CB 4.21Å; F218-I230 HydrophobicContact CG-CD1 4.17Å; F218-I230 HydrophobicContact CG-CG2 3.59Å; F218-I230 HydrophobicContact CZ-CG2 4.35Å; F218-R231 HydrophobicContact CE2-CG 3.73Å; F218-R231 HydrophobicContact CZ-CG 3.62Å
219	M	96.1	Very high	96.1	Very high	31 Å²	31	39.9 Å²	39.9	15%	0.153	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	3	-171.6	-64.4	-67.8	-84.2	0	0	114.6	Q138 V139 R231	Q138-M219 HydrophobicContact CB-CE 3.76Å; Q138-M219 HydrophobicContact CB-CG 4.26Å; Q138-M219 HydrophobicContact CB-SD 4.13Å; Q138-M219 WeakPolarHBondContact O-CG 3.4Å; V139-M219 HydrophobicContact CG2-CB 3.86Å; V139-M219 HydrophobicContact CG2-CE 3.73Å; V139-M219 HydrophobicContact CG2-CG 3.91Å; M219-R231 PolarHBondContact SD-NH2 3.42Å
220	F	95.8	Very high	96.4	Very high	47 Å²	47	39.4 Å²	39.4	21%	0.206	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-13.3	164.4	52.8	-107.4	0	0	0	112.9	E217 F218 N222 R462 N465 A466 I468	E217-F220 HydrophobicContact CB-CE1 3.84Å; F218-F220 PolarHBondContact O-N 3.13Å; F218-F220 VanDerWaalsContact O-N 3.1Å; F220-N222 PolarHBondContact O-N 2.92Å; F220-R462 HydrophobicContact CD1-CG 4.42Å; F220-R462 HydrophobicContact CE1-CG 4.04Å; F220-R462 HydrophobicContact CZ-CG 4.18Å; F220-N465 HydrophobicContact CD2-CB 4.16Å; F220-N465 HydrophobicContact CE2-CB 4.34Å; F220-N465 PolarHBondContact O-OD1 3.45Å; F220-A466 WeakPolarHBondContact CE2-O 3.41Å; F220-A466 WeakPolarHBondContact CZ-O 3.27Å; F220-I468 HydrophobicContact CZ-CD1 4.45Å
221	I	96.9	Very high	96.5	Very high	11 Å²	11	39.8 Å²	39.8	6%	0.056	20%	0.195	C	C	.	.			trans	-68.7	120.6	179.2	-62.7	175.6	0	0	0	109	F218 D223 Q226 C227 I230 N465 P467 W489	F218-I221 HydrophobicContact CB-CD1 4.14Å; F218-I221 VanDerWaalsContact O-CB 3.22Å; F218-I221 WeakPolarHBondContact O-CB 3.31Å; F218-I221 VanDerWaalsContact O-CG1 3.23Å; F218-I221 WeakPolarHBondContact O-CG1 3.27Å; F218-I221 PolarHBondContact O-N 3.27Å; I221-D223 HydrophobicContact CG2-CB 3.9Å; I221-D223 PolarHBondContact O-N 3.42Å; I221-Q226 HydrophobicContact CG2-CB 3.99Å; I221-C227 PolarHBondContact O-SG 2.96Å; I221-C227 VanDerWaalsContact O-SG 3.36Å; I221-I230 HydrophobicContact CD1-CD1 4Å; I221-N465 HydrophobicContact CG1-CB 4.23Å; I221-N465 WeakPolarHBondContact CG1-O 3.39Å; I221-P467 HydrophobicContact CD1-CB 3.94Å; I221-P467 HydrophobicContact CD1-CG 4.3Å; I221-W489 HydrophobicContact CD1-CH2 4.02Å
222	N	94.1	Very high	96.7	Very high	148 Å²	148	44.4 Å²	44.4	79%	0.791	22%	0.216	S	C	*	.			trans	-71	-16.5	-178.6	-62.7	-70.2	0	0	0	113.5	F220	F220-N222 PolarHBondContact O-N 2.92Å
223	D	96.6	Very high	96.9	Very high	57 Å²	57	43.7 Å²	43.7	31%	0.305	21%	0.212	S	C	.	.			trans	-86.1	121.4	-178.5	-175.6	-46.5	0	0	0	111.3	I221 E225 Q226 C227	I221-D223 HydrophobicContact CG2-CB 3.9Å; I221-D223 PolarHBondContact O-N 3.42Å; D223-E225 PolarHBondContact OD1-N 3.31Å; D223-Q226 HydrophobicContact CB-CB 3.97Å; D223-Q226 HydrophobicContact CB-CG 4.19Å; D223-Q226 VanDerWaalsContact CG-NE2 3.32Å; D223-Q226 PolarHBondContact OD1-N 3.27Å; D223-Q226 PolarHBondContact OD2-NE2 3.01Å; D223-C227 WeakPolarHBondContact O-CB 3.34Å; D223-C227 PolarHBondContact O-N 3.18Å; D223-C227 VanDerWaalsContact O-N 3.1Å; D223-C227 PolarHBondContact O-SG 3.47Å
224	L	95.3	Very high	97	Very high	107 Å²	107	40.6 Å²	40.6	56%	0.56	20%	0.198	S	C	*	.	H	α-helix	trans	-73.8	-33.4	-176.6	-179.6	60.2	0	0	0	113	C227 Q228	L224-C227 PolarHBondContact O-N 2.81Å; L224-Q228 HydrophobicContact CD1-CG 4.25Å; L224-Q228 HydrophobicContact CG-CG 4.47Å; L224-Q228 WeakPolarHBondContact O-CB 3.45Å; L224-Q228 WeakPolarHBondContact O-CG 3.38Å; L224-Q228 PolarHBondContact O-N 3.5Å
225	E	97.3	Very high	97	Very high	134 Å²	134	40.1 Å²	40.1	63%	0.626	20%	0.195	S	C	*	.	H	α-helix	trans	-70.9	-45.4	-179.9	-175	177.6	165.9	0	0	109.8	D223 C227 Q228 W229	D223-E225 PolarHBondContact OD1-N 3.31Å; E225-C227 VanDerWaalsContact C-N 3.32Å; E225-C227 PolarHBondContact O-N 3.33Å; E225-Q228 PolarHBondContact O-N 3.32Å; E225-Q228 VanDerWaalsContact O-N 3.14Å; E225-W229 WeakPolarHBondContact O-CB 3.48Å; E225-W229 PolarHBondContact O-N 3.31Å
226	Q	97.8	Very high	96.9	Very high	12 Å²	12	42.2 Å²	42.2	6%	0.056	21%	0.208	C	C	.	.	H	α-helix	trans	-57.1	-44.2	171.1	-76.8	159.4	34	0	0	111.5	I221 D223 W229 I230 W489 F493	I221-Q226 HydrophobicContact CG2-CB 3.99Å; D223-Q226 HydrophobicContact CB-CB 3.97Å; D223-Q226 HydrophobicContact CB-CG 4.19Å; D223-Q226 VanDerWaalsContact CG-NE2 3.32Å; D223-Q226 PolarHBondContact OD1-N 3.27Å; D223-Q226 PolarHBondContact OD2-NE2 3.01Å; Q226-W229 PolarHBondContact O-N 2.95Å; Q226-I230 WeakPolarHBondContact O-CG1 3.35Å; Q226-I230 PolarHBondContact O-N 3.1Å; Q226-W489 HydrophobicContact CB-CH2 3.67Å; Q226-W489 HydrophobicContact CB-CZ3 3.74Å; Q226-W489 HydrophobicContact CG-CH2 3.56Å; Q226-W489 HydrophobicContact CG-CZ3 3.79Å; Q226-F493 HydrophobicContact CB-CZ 4.39Å; Q226-F493 HydrophobicContact CG-CD1 3.49Å; Q226-F493 VanDerWaalsContact CG-CD1 3.49Å; Q226-F493 HydrophobicContact CG-CD2 4.05Å; Q226-F493 HydrophobicContact CG-CE1 3.48Å; Q226-F493 VanDerWaalsContact CG-CE1 3.48Å; Q226-F493 HydrophobicContact CG-CE2 4.02Å; Q226-F493 HydrophobicContact CG-CG 3.78Å; Q226-F493 HydrophobicContact CG-CZ 3.75Å
227	C	97.8	Very high	96.7	Very high	7 Å²	7	44.9 Å²	44.9	5%	0.047	23%	0.225	C	C	.	.	H	α-helix	trans	-63.3	-40.5	173.9	-77.4	0	0	0	0	113.7	F218 I221 D223 L224 E225 R231	F218-C227 HydrophobicContact CD2-CB 4.4Å; F218-C227 HydrophobicContact CE2-CB 4.37Å; F218-C227 WeakPolarHBondContact CE2-O 3.32Å; I221-C227 PolarHBondContact O-SG 2.96Å; I221-C227 VanDerWaalsContact O-SG 3.36Å; D223-C227 WeakPolarHBondContact O-CB 3.34Å; D223-C227 PolarHBondContact O-N 3.18Å; D223-C227 VanDerWaalsContact O-N 3.1Å; D223-C227 PolarHBondContact O-SG 3.47Å; L224-C227 PolarHBondContact O-N 2.81Å; E225-C227 VanDerWaalsContact C-N 3.32Å; E225-C227 PolarHBondContact O-N 3.33Å; C227-R231 WeakPolarHBondContact O-CG 3.29Å; C227-R231 PolarHBondContact O-N 3.28Å; C227-R231 VanDerWaalsContact O-N 3.15Å
228	Q	96.9	Very high	96.3	Very high	73 Å²	73	46.1 Å²	46.1	34%	0.341	24%	0.241	S	C	.	.	H	α-helix	trans	-69	-41.3	178.2	-79.5	176.1	-17.4	0	0	111.4	F189 L224 E225 R231 Q232	F189-Q228 WeakPolarHBondContact CE2-O 3.32Å; L224-Q228 HydrophobicContact CD1-CG 4.25Å; L224-Q228 HydrophobicContact CG-CG 4.47Å; L224-Q228 WeakPolarHBondContact O-CB 3.45Å; L224-Q228 WeakPolarHBondContact O-CG 3.38Å; L224-Q228 PolarHBondContact O-N 3.5Å; E225-Q228 PolarHBondContact O-N 3.32Å; E225-Q228 VanDerWaalsContact O-N 3.14Å; Q228-R231 PolarHBondContact O-N 3.07Å; Q228-Q232 WeakPolarHBondContact O-CB 3.32Å; Q228-Q232 PolarHBondContact O-N 3.42Å
229	W	98.2	Very high	96.1	Very high	32 Å²	32	48.2 Å²	48.2	12%	0.121	25%	0.252	C	S	.	.	H	α-helix	trans	-59.3	-46.7	175.2	-172.3	105.4	0	0	0	111.3	E225 Q226 R231 Q232 K233 V485 E488 W489 F493	E225-W229 WeakPolarHBondContact O-CB 3.48Å; E225-W229 PolarHBondContact O-N 3.31Å; Q226-W229 PolarHBondContact O-N 2.95Å; W229-R231 PolarHBondContact O-N 2.99Å; W229-Q232 WeakPolarHBondContact O-CB 3.41Å; W229-Q232 PolarHBondContact O-N 2.83Å; W229-K233 HydrophobicContact CD2-CG 4.13Å; W229-K233 HydrophobicContact CE3-CG 3.75Å; W229-K233 HydrophobicContact CH2-CD 4.35Å; W229-K233 HydrophobicContact CH2-CG 4.02Å; W229-K233 HydrophobicContact CZ2-CD 4.46Å; W229-K233 HydrophobicContact CZ2-CG 4.41Å; W229-K233 HydrophobicContact CZ3-CD 4.5Å; W229-K233 HydrophobicContact CZ3-CG 3.68Å; W229-K233 WeakPolarHBondContact O-CG 3.1Å; W229-K233 PolarHBondContact O-N 3.29Å; W229-V485 HydrophobicContact CH2-CG1 3.95Å; W229-V485 HydrophobicContact CZ3-CG1 3.72Å; W229-E488 HydrophobicContact CH2-CB 3.96Å; W229-E488 HydrophobicContact CZ2-CB 3.94Å; W229-W489 HydrophobicContact CE3-CE3 4.11Å; W229-W489 HydrophobicContact CH2-CB 3.79Å; W229-W489 HydrophobicContact CZ3-CB 3.95Å; W229-W489 HydrophobicContact CZ3-CE3 4.1Å; W229-F493 HydrophobicContact CB-CE2 3.93Å; W229-F493 HydrophobicContact CB-CZ 3.77Å; W229-F493 AromaticContact CD1-CE2 3.87Å; W229-F493 AromaticContact CD1-CZ 3.84Å; W229-F493 AromaticContact CD2-CE2 3.66Å; W229-F493 HydrophobicContact CD2-CE2 3.66Å; W229-F493 HydrophobicContact CD2-CZ 4.32Å; W229-F493 AromaticContact CE2-CE2 3.99Å; W229-F493 HydrophobicContact CE3-CE2 4.12Å; W229-F493 AromaticContact CG-CE2 3.59Å; W229-F493 HydrophobicContact CG-CE2 3.59Å; W229-F493 AromaticContact CG-CZ 3.75Å; W229-F493 HydrophobicContact CG-CZ 3.75Å
230	I	98.3	Very high	95.9	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-62.8	-43.6	177.8	-68.2	171.8	0	0	0	111	V216 F218 I221 Q226 Q232 K233 F234 P467 F469 W489	V216-I230 HydrophobicContact CG1-CG2 3.71Å; F218-I230 HydrophobicContact CB-CD1 3.6Å; F218-I230 HydrophobicContact CB-CG2 3.99Å; F218-I230 HydrophobicContact CD1-CG2 3.9Å; F218-I230 HydrophobicContact CD2-CB 3.86Å; F218-I230 HydrophobicContact CD2-CD1 4.18Å; F218-I230 HydrophobicContact CD2-CG2 3.69Å; F218-I230 HydrophobicContact CE1-CG2 4.28Å; F218-I230 HydrophobicContact CE2-CB 4.24Å; F218-I230 HydrophobicContact CE2-CG2 4.07Å; F218-I230 HydrophobicContact CG-CB 4.21Å; F218-I230 HydrophobicContact CG-CD1 4.17Å; F218-I230 HydrophobicContact CG-CG2 3.59Å; F218-I230 HydrophobicContact CZ-CG2 4.35Å; I221-I230 HydrophobicContact CD1-CD1 4Å; Q226-I230 WeakPolarHBondContact O-CG1 3.35Å; Q226-I230 PolarHBondContact O-N 3.1Å; I230-Q232 PolarHBondContact O-N 3.38Å; I230-K233 PolarHBondContact O-N 2.97Å; I230-F234 HydrophobicContact CG2-CD2 3.83Å; I230-F234 HydrophobicContact CG2-CE2 4.15Å; I230-F234 WeakPolarHBondContact O-CD2 3.31Å; I230-F234 PolarHBondContact O-N 3.01Å; I230-P467 HydrophobicContact CD1-CB 3.74Å; I230-P467 HydrophobicContact CD1-CG 4.16Å; I230-F469 HydrophobicContact CG2-CE1 4.41Å; I230-W489 HydrophobicContact CD1-CE3 4.03Å; I230-W489 HydrophobicContact CD1-CH2 4.28Å; I230-W489 HydrophobicContact CD1-CZ3 3.59Å; I230-W489 HydrophobicContact CG1-CE3 4.09Å; I230-W489 HydrophobicContact CG1-CZ3 3.95Å
231	R	97.6	Very high	95.7	Very high	10 Å²	10	55.7 Å²	55.7	4%	0.038	29%	0.288	C	S	.	.	H	α-helix	trans	-60.7	-43.8	173.1	-68.1	172	-163.8	125	13.8	111.7	T187 F189 F218 M219 C227 Q228 W229 K233 F234 E235	T187-R231 VanDerWaalsContact O-CD 3.28Å; T187-R231 WeakPolarHBondContact O-CD 3.5Å; F189-R231 HydrophobicContact CD2-CB 3.7Å; F189-R231 HydrophobicContact CE2-CB 3.93Å; F218-R231 HydrophobicContact CE2-CG 3.73Å; F218-R231 HydrophobicContact CZ-CG 3.62Å; M219-R231 PolarHBondContact SD-NH2 3.42Å; C227-R231 WeakPolarHBondContact O-CG 3.29Å; C227-R231 PolarHBondContact O-N 3.28Å; C227-R231 VanDerWaalsContact O-N 3.15Å; Q228-R231 PolarHBondContact O-N 3.07Å; W229-R231 PolarHBondContact O-N 2.99Å; R231-K233 VanDerWaalsContact C-N 3.26Å; R231-K233 PolarHBondContact O-N 2.86Å; R231-F234 PolarHBondContact O-N 3.06Å; R231-E235 HydrophobicContact CB-CG 4.33Å; R231-E235 WeakPolarHBondContact O-CB 3.25Å; R231-E235 WeakPolarHBondContact O-CG 3.22Å; R231-E235 PolarHBondContact O-N 3.45Å
232	Q	96.9	Very high	95.6	Very high	103 Å²	103	56.9 Å²	56.9	48%	0.481	29%	0.293	S	S	.	.	H	α-helix	trans	-61.3	-36.4	177.9	-168.2	-174.2	12.3	0	0	111.7	F189 Q228 W229 I230 T236	F189-Q232 HydrophobicContact CD1-CB 4.29Å; F189-Q232 HydrophobicContact CD1-CG 4.1Å; F189-Q232 HydrophobicContact CD2-CB 4.01Å; F189-Q232 HydrophobicContact CE1-CB 4.23Å; F189-Q232 HydrophobicContact CE1-CG 4.16Å; F189-Q232 HydrophobicContact CE2-CB 3.94Å; F189-Q232 HydrophobicContact CG-CB 4.17Å; F189-Q232 HydrophobicContact CG-CG 4.36Å; F189-Q232 HydrophobicContact CZ-CB 4.06Å; F189-Q232 HydrophobicContact CZ-CG 4.47Å; Q228-Q232 WeakPolarHBondContact O-CB 3.32Å; Q228-Q232 PolarHBondContact O-N 3.42Å; W229-Q232 WeakPolarHBondContact O-CB 3.41Å; W229-Q232 PolarHBondContact O-N 2.83Å; I230-Q232 PolarHBondContact O-N 3.38Å; Q232-T236 WeakPolarHBondContact O-CB 3.37Å; Q232-T236 PolarHBondContact O-OG1 2.85Å
233	K	97.4	Very high	95.7	Very high	49 Å²	49	53.5 Å²	53.5	21%	0.213	28%	0.277	C	S	.	.	H	α-helix	trans	-66.2	-58.1	172.6	-63.8	-65	177.3	172.3	0	111.4	W229 I230 R231 I239 Y481 V485 E488	W229-K233 HydrophobicContact CD2-CG 4.13Å; W229-K233 HydrophobicContact CE3-CG 3.75Å; W229-K233 HydrophobicContact CH2-CD 4.35Å; W229-K233 HydrophobicContact CH2-CG 4.02Å; W229-K233 HydrophobicContact CZ2-CD 4.46Å; W229-K233 HydrophobicContact CZ2-CG 4.41Å; W229-K233 HydrophobicContact CZ3-CD 4.5Å; W229-K233 HydrophobicContact CZ3-CG 3.68Å; W229-K233 WeakPolarHBondContact O-CG 3.1Å; W229-K233 PolarHBondContact O-N 3.29Å; I230-K233 PolarHBondContact O-N 2.97Å; R231-K233 VanDerWaalsContact C-N 3.26Å; R231-K233 PolarHBondContact O-N 2.86Å; K233-I239 VanDerWaalsContact O-CG2 3.22Å; K233-I239 WeakPolarHBondContact O-CG2 3.5Å; K233-Y481 PolarHBondContact O-OH 2.82Å; K233-V485 HydrophobicContact CB-CG1 4.15Å; K233-V485 HydrophobicContact CB-CG2 4.27Å; K233-V485 HydrophobicContact CD-CG2 4.34Å; K233-V485 HydrophobicContact CG-CG1 4.05Å; K233-V485 HydrophobicContact CG-CG2 4.41Å; K233-E488 WeakPolarHBondContact CE-OE2 3.32Å; K233-E488 IonicContact NZ-OE2 2.73Å; K233-E488 PolarHBondContact NZ-OE2 3.29Å
234	F	97.4	Very high	95.7	Very high	3 Å²	3	55.4 Å²	55.4	1%	0.013	29%	0.287	C	S	.	.	H	α-helix	trans	-86	-24.5	-167.8	-68.5	-78.6	0	0	0	115.8	A209 I214 V216 I230 R231 I239 F469 Y481 V482 V485	A209-F234 VanDerWaalsContact CB-O 3.3Å; A209-F234 WeakPolarHBondContact CB-O 3.17Å; I214-F234 HydrophobicContact CG2-CD1 4.14Å; I214-F234 HydrophobicContact CG2-CE1 3.87Å; V216-F234 HydrophobicContact CG1-CD2 3.9Å; V216-F234 HydrophobicContact CG1-CE2 4Å; V216-F234 HydrophobicContact CG1-CG 4.49Å; V216-F234 HydrophobicContact CG2-CB 4.24Å; V216-F234 HydrophobicContact CG2-CD1 3.78Å; V216-F234 HydrophobicContact CG2-CD2 3.91Å; V216-F234 HydrophobicContact CG2-CE1 4.07Å; V216-F234 HydrophobicContact CG2-CE2 4.19Å; V216-F234 HydrophobicContact CG2-CG 3.7Å; V216-F234 HydrophobicContact CG2-CZ 4.26Å; I230-F234 HydrophobicContact CG2-CD2 3.83Å; I230-F234 HydrophobicContact CG2-CE2 4.15Å; I230-F234 WeakPolarHBondContact O-CD2 3.31Å; I230-F234 PolarHBondContact O-N 3.01Å; R231-F234 PolarHBondContact O-N 3.06Å; F234-I239 WeakPolarHBondContact O-CD1 3.39Å; F234-F469 AromaticContact CE2-CD1 3.9Å; F234-F469 HydrophobicContact CE2-CD1 3.9Å; F234-F469 AromaticContact CE2-CE1 3.56Å; F234-F469 HydrophobicContact CE2-CE1 3.56Å; F234-F469 HydrophobicContact CE2-CE2 4.43Å; F234-F469 HydrophobicContact CE2-CG 4.49Å; F234-F469 AromaticContact CE2-CZ 3.86Å; F234-F469 HydrophobicContact CE2-CZ 3.86Å; F234-F469 AromaticContact CZ-CD1 3.88Å; F234-F469 HydrophobicContact CZ-CD1 3.88Å; F234-F469 HydrophobicContact CZ-CD2 4.31Å; F234-F469 AromaticContact CZ-CE1 3.98Å; F234-F469 HydrophobicContact CZ-CE1 3.98Å; F234-F469 HydrophobicContact CZ-CE2 4.38Å; F234-F469 HydrophobicContact CZ-CG 4.07Å; F234-F469 HydrophobicContact CZ-CZ 4.23Å; F234-Y481 HydrophobicContact CD1-CD1 4.5Å; F234-Y481 AromaticContact CD1-CE1 3.92Å; F234-Y481 HydrophobicContact CD1-CE1 3.92Å; F234-Y481 HydrophobicContact CE1-CD1 4.06Å; F234-Y481 AromaticContact CE1-CE1 3.72Å; F234-Y481 HydrophobicContact CE1-CE1 3.72Å; F234-Y481 HydrophobicContact CZ-CE1 4.42Å; F234-V482 HydrophobicContact CE1-CG2 4.24Å; F234-V485 HydrophobicContact CE2-CG1 3.84Å; F234-V485 HydrophobicContact CZ-CB 4.25Å; F234-V485 HydrophobicContact CZ-CG1 3.91Å; F234-V485 HydrophobicContact CZ-CG2 4.47Å
235	E	97.1	Very high	95.7	Very high	6 Å²	6	57.5 Å²	57.5	3%	0.028	29%	0.294	C	S	.	.	H	α-helix	trans	-91.3	-21	-177.9	-61.1	-177.2	154.1	0	0	114	Q138 T188 F189 I190 A209 Y210 R231	Q138-E235 WeakPolarHBondContact CG-OE1 3.3Å; Q138-E235 PolarHBondContact NE2-OE1 2.71Å; T188-E235 WeakPolarHBondContact CA-OE2 3.35Å; T188-E235 WeakPolarHBondContact CB-OE2 3.35Å; T188-E235 PolarHBondContact OG1-OE1 2.68Å; T188-E235 PolarHBondContact OG1-OE2 3Å; F189-E235 HydrophobicContact CB-CB 4.21Å; F189-E235 PolarHBondContact N-OE2 3.02Å; I190-E235 WeakPolarHBondContact CA-O 3.34Å; I190-E235 HydrophobicContact CG2-CB 3.79Å; I190-E235 HydrophobicContact CG2-CG 4.14Å; A209-E235 HydrophobicContact CB-CG 4.4Å; Y210-E235 HydrophobicContact CE2-CG 3.75Å; Y210-E235 WeakPolarHBondContact CE2-OE1 3.49Å; Y210-E235 WeakPolarHBondContact OH-CG 3.34Å; Y210-E235 PolarHBondContact OH-OE1 2.63Å; R231-E235 HydrophobicContact CB-CG 4.33Å; R231-E235 WeakPolarHBondContact O-CB 3.25Å; R231-E235 WeakPolarHBondContact O-CG 3.22Å; R231-E235 PolarHBondContact O-N 3.45Å
236	T	95.6	Very high	95.6	Very high	45 Å²	45	55.1 Å²	55.1	28%	0.276	28%	0.283	S	S	.	.	S	Bend	trans	-63.6	129	-175.1	-66.2	0	0	0	0	111.4	Q232 G238 I239	Q232-T236 WeakPolarHBondContact O-CB 3.37Å; Q232-T236 PolarHBondContact O-OG1 2.85Å; T236-G238 PolarHBondContact O-N 3.46Å; T236-I239 HydrophobicContact CG2-CG2 4.42Å; T236-I239 WeakPolarHBondContact O-CG2 3.48Å
237	P	93.1	Very high	95.6	Very high	55 Å²	55	55.2 Å²	55.2	36%	0.357	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	135.3	176.8	-27.2	35.5	0	0	0	113.3	I190	I190-P237 WeakPolarHBondContact O-CG 3.32Å
238	G	89.6	Confident	95.5	Very high	37 Å²	37	59.9 Å²	59.9	38%	0.381	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.6	0.7	173	0	0	0	0	0	116.3	T236 M240 Q241	T236-G238 PolarHBondContact O-N 3.46Å; G238-M240 PolarHBondContact O-N 2.98Å; G238-Q241 WeakPolarHBondContact O-CB 3.38Å; G238-Q241 VanDerWaalsContact O-CG 3.25Å; G238-Q241 WeakPolarHBondContact O-CG 3.3Å; G238-Q241 PolarHBondContact O-N 2.89Å
239	I	92.3	Very high	95.5	Very high	46 Å²	46	59 Å²	59	24%	0.236	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-25.4	-177.8	53.8	153.7	0	0	0	115.6	K233 F234 T236 Q241 Y481	K233-I239 VanDerWaalsContact O-CG2 3.22Å; K233-I239 WeakPolarHBondContact O-CG2 3.5Å; F234-I239 WeakPolarHBondContact O-CD1 3.39Å; T236-I239 HydrophobicContact CG2-CG2 4.42Å; T236-I239 WeakPolarHBondContact O-CG2 3.48Å; I239-Q241 VanDerWaalsContact C-N 3.31Å; I239-Q241 PolarHBondContact O-N 2.95Å; I239-Y481 HydrophobicContact CB-CE2 3.76Å; I239-Y481 HydrophobicContact CD1-CE1 3.93Å; I239-Y481 HydrophobicContact CD1-CE2 4.46Å; I239-Y481 HydrophobicContact CG2-CE2 4.47Å; I239-Y481 VanDerWaalsContact O-CD2 3.27Å; I239-Y481 WeakPolarHBondContact O-CD2 3.22Å; I239-Y481 VanDerWaalsContact O-CE2 3.32Å; I239-Y481 WeakPolarHBondContact O-CE2 3.45Å
240	M	91.8	Very high	95.4	Very high	70 Å²	70	57.9 Å²	57.9	35%	0.345	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	18	180	-71.7	-58.1	-59.9	0	0	113.7	I214 G238 F242 E477 A478 Y481	I214-M240 HydrophobicContact CD1-SD 4.15Å; G238-M240 PolarHBondContact O-N 2.98Å; M240-F242 HydrophobicContact CE-CE2 4.01Å; M240-E477 HydrophobicContact CE-CB 4.19Å; M240-A478 HydrophobicContact CE-CB 4.18Å; M240-Y481 HydrophobicContact SD-CD1 4.4Å; M240-Y481 HydrophobicContact SD-CD2 4.43Å; M240-Y481 HydrophobicContact SD-CG 3.93Å
241	Q	92.1	Very high	95.4	Very high	165 Å²	165	58.1 Å²	58.1	77%	0.771	30%	0.297	S	S	*	.			trans	-86.9	109.1	177	-70.8	176.3	10	0	0	111.1	G238 I239	G238-Q241 WeakPolarHBondContact O-CB 3.38Å; G238-Q241 VanDerWaalsContact O-CG 3.25Å; G238-Q241 WeakPolarHBondContact O-CG 3.3Å; G238-Q241 PolarHBondContact O-N 2.89Å; I239-Q241 VanDerWaalsContact C-N 3.31Å; I239-Q241 PolarHBondContact O-N 2.95Å
242	F	95.1	Very high	95.4	Very high	36 Å²	36	58.8 Å²	58.8	16%	0.158	31%	0.305	C	S	.	.			trans	-103.6	140.5	174.7	-71.8	-88.1	0	0	0	111.9	M240 E246 K247 E477 M480	M240-F242 HydrophobicContact CE-CE2 4.01Å; F242-E246 HydrophobicContact CD1-CB 4.14Å; F242-K247 HydrophobicContact CB-CG 4.07Å; F242-K247 VanDerWaalsContact O-CE 3.32Å; F242-K247 WeakPolarHBondContact O-CE 3.25Å; F242-E477 HydrophobicContact CD2-CB 3.78Å; F242-E477 HydrophobicContact CD2-CG 3.71Å; F242-E477 HydrophobicContact CE2-CB 3.62Å; F242-E477 HydrophobicContact CE2-CG 4Å; F242-E477 WeakPolarHBondContact CE2-O 3.22Å; F242-E477 HydrophobicContact CG-CG 4.15Å; F242-E477 HydrophobicContact CZ-CB 4.36Å; F242-E477 WeakPolarHBondContact CZ-O 3.33Å; F242-M480 HydrophobicContact CE1-CB 3.96Å; F242-M480 HydrophobicContact CZ-CB 3.99Å
243	T	96.1	Very high	95.4	Very high	77 Å²	77	55.1 Å²	55.1	47%	0.472	29%	0.287	S	S	.	.			trans	-71.3	158.6	173	64.8	0	0	0	0	112.1	E245 E246 K247	T243-E245 PolarHBondContact O-N 3.13Å; T243-E246 WeakPolarHBondContact CB-OE2 3.3Å; T243-E246 WeakPolarHBondContact CG2-OE2 3.2Å; T243-E246 PolarHBondContact N-OE2 2.91Å; T243-E246 PolarHBondContact O-N 2.89Å; T243-E246 WeakPolarHBondContact OG1-CG 3.41Å; T243-E246 PolarHBondContact OG1-N 3.27Å; T243-E246 PolarHBondContact OG1-OE2 3.19Å; T243-K247 VanDerWaalsContact O-CG 3.32Å; T243-K247 WeakPolarHBondContact O-CG 3.42Å; T243-K247 PolarHBondContact O-N 2.78Å
244	N	96.8	Very high	95.4	Very high	96 Å²	96	52.8 Å²	52.8	51%	0.513	28%	0.277	S	S	.	.	H	α-helix	trans	-60.7	-27.5	176.6	-70.5	0.7	0	0	0	113	R248 V545	N244-R248 WeakPolarHBondContact O-CB 3.48Å; N244-R248 WeakPolarHBondContact O-CG 3.4Å; N244-R248 PolarHBondContact O-N 3.22Å; N244-V545 HydrophobicContact CB-CG1 3.99Å
245	E	94.8	Very high	95.5	Very high	151 Å²	151	52.7 Å²	52.7	71%	0.706	28%	0.276	S	S	*	.	H	α-helix	trans	-75.9	-42	177.1	-174.4	171.9	-178.1	0	0	112.2	T243 K247 R248 T249	T243-E245 PolarHBondContact O-N 3.13Å; E245-K247 VanDerWaalsContact C-N 3.34Å; E245-R248 PolarHBondContact O-N 2.87Å; E245-T249 WeakPolarHBondContact O-CB 3.36Å; E245-T249 PolarHBondContact O-N 3.18Å; E245-T249 PolarHBondContact O-OG1 3.06Å
246	E	95.2	Very high	95.5	Very high	84 Å²	84	56.2 Å²	56.2	39%	0.393	29%	0.289	S	S	.	.	H	α-helix	trans	-60.9	-44.5	171.8	-71.5	163.9	119	0	0	110.9	F242 T243 T249 L250	F242-E246 HydrophobicContact CD1-CB 4.14Å; T243-E246 WeakPolarHBondContact CB-OE2 3.3Å; T243-E246 WeakPolarHBondContact CG2-OE2 3.2Å; T243-E246 PolarHBondContact N-OE2 2.91Å; T243-E246 PolarHBondContact O-N 2.89Å; T243-E246 WeakPolarHBondContact OG1-CG 3.41Å; T243-E246 PolarHBondContact OG1-N 3.27Å; T243-E246 PolarHBondContact OG1-OE2 3.19Å; E246-T249 WeakPolarHBondContact O-CB 3.34Å; E246-T249 PolarHBondContact O-N 3.14Å; E246-L250 VanDerWaalsContact O-CB 3.32Å; E246-L250 WeakPolarHBondContact O-CB 3.43Å; E246-L250 PolarHBondContact O-N 3.11Å
247	K	97.6	Very high	95.6	Very high	15 Å²	15	54.1 Å²	54.1	7%	0.065	28%	0.276	C	S	.	.	H	α-helix	trans	-59.2	-48.1	175.8	-71.9	173.5	177	-81.7	0	112.5	F242 T243 E245 T249 L250 L251 E477 Y536 L540 V545	F242-K247 HydrophobicContact CB-CG 4.07Å; F242-K247 VanDerWaalsContact O-CE 3.32Å; F242-K247 WeakPolarHBondContact O-CE 3.25Å; T243-K247 VanDerWaalsContact O-CG 3.32Å; T243-K247 WeakPolarHBondContact O-CG 3.42Å; T243-K247 PolarHBondContact O-N 2.78Å; E245-K247 VanDerWaalsContact C-N 3.34Å; K247-T249 PolarHBondContact O-N 3.27Å; K247-L250 PolarHBondContact O-N 3.29Å; K247-L251 PolarHBondContact O-N 2.77Å; K247-E477 IonicContact NZ-OE1 3.2Å; K247-E477 PolarHBondContact NZ-OE1 3.48Å; K247-E477 IonicContact NZ-OE2 2.69Å; K247-E477 PolarHBondContact NZ-OE2 2.81Å; K247-Y536 WeakPolarHBondContact CA-OH 3.22Å; K247-L540 HydrophobicContact CB-CD1 4.24Å; K247-L540 HydrophobicContact CB-CD2 3.8Å; K247-L540 HydrophobicContact CD-CD2 3.92Å; K247-L540 HydrophobicContact CG-CD2 4.05Å; K247-V545 HydrophobicContact CB-CG1 4.02Å; K247-V545 HydrophobicContact CD-CG1 4.31Å; K247-V545 HydrophobicContact CD-CG2 4.19Å
248	R	96.4	Very high	95.9	Very high	105 Å²	105	52 Å²	52	40%	0.396	26%	0.262	S	S	.	.	H	α-helix	trans	-62.8	-40.5	174.7	-79.6	175.8	171.9	-115.3	-4.7	112.1	N244 E245 L251 A252 V545 V546 E550	N244-R248 WeakPolarHBondContact O-CB 3.48Å; N244-R248 WeakPolarHBondContact O-CG 3.4Å; N244-R248 PolarHBondContact O-N 3.22Å; E245-R248 PolarHBondContact O-N 2.87Å; R248-L251 PolarHBondContact O-N 2.89Å; R248-A252 WeakPolarHBondContact O-CB 3.3Å; R248-A252 PolarHBondContact O-N 3.43Å; R248-V545 HydrophobicContact CG-CG1 4.35Å; R248-V545 VanDerWaalsContact CZ-O 3.23Å; R248-V545 PolarHBondContact NE-O 3.09Å; R248-V545 PolarHBondContact NH2-O 3.04Å; R248-V546 HydrophobicContact CG-CG2 3.73Å; R248-E550 IonicContact CZ-OE1 2.79Å; R248-E550 IonicContact CZ-OE2 3.42Å; R248-E550 IonicContact NH1-OE1 3.73Å; R248-E550 PolarHBondContact NH1-OE1 3.47Å; R248-E550 IonicContact NH1-OE2 3.22Å; R248-E550 IonicContact NH2-OE1 3.83Å; R248-E550 PolarHBondContact NH2-OE1 3.47Å; R248-E550 IonicContact NH2-OE2 2.69Å; R248-E550 PolarHBondContact NH2-OE2 3.47Å
249	T	95.6	Very high	96.3	Very high	55 Å²	55	52.4 Å²	52.4	34%	0.337	25%	0.252	S	S	.	.	H	α-helix	trans	-64.6	-38.6	176.3	-66.2	0	0	0	0	112.1	E245 E246 K247 R253	E245-T249 WeakPolarHBondContact O-CB 3.36Å; E245-T249 PolarHBondContact O-N 3.18Å; E245-T249 PolarHBondContact O-OG1 3.06Å; E246-T249 WeakPolarHBondContact O-CB 3.34Å; E246-T249 PolarHBondContact O-N 3.14Å; K247-T249 PolarHBondContact O-N 3.27Å; T249-R253 VanDerWaalsContact CG2-NE 3.29Å; T249-R253 WeakPolarHBondContact O-CD 3.48Å; T249-R253 VanDerWaalsContact O-CG 3.22Å; T249-R253 WeakPolarHBondContact O-CG 3.41Å; T249-R253 PolarHBondContact O-N 3Å
250	L	97.4	Very high	96.6	Very high	7 Å²	7	50.2 Å²	50.2	4%	0.037	24%	0.241	C	C	.	.	H	α-helix	trans	-67.4	-45.3	175.8	-178.8	50	0	0	0	111.5	E246 K247 A252 R253 L254 P284 P476 E477 M480 Y536	E246-L250 VanDerWaalsContact O-CB 3.32Å; E246-L250 WeakPolarHBondContact O-CB 3.43Å; E246-L250 PolarHBondContact O-N 3.11Å; K247-L250 PolarHBondContact O-N 3.29Å; L250-A252 PolarHBondContact O-N 3.21Å; L250-R253 PolarHBondContact O-N 3.47Å; L250-L254 HydrophobicContact CD1-CD1 4.38Å; L250-L254 HydrophobicContact CD1-CG 4.36Å; L250-L254 HydrophobicContact CG-CD1 4.37Å; L250-L254 WeakPolarHBondContact O-CG 2.93Å; L250-L254 PolarHBondContact O-N 3.24Å; L250-P284 HydrophobicContact CD1-CB 3.5Å; L250-P284 HydrophobicContact CD1-CG 3.86Å; L250-P476 HydrophobicContact CD1-CB 4.13Å; L250-P476 HydrophobicContact CD2-CB 3.73Å; L250-P476 HydrophobicContact CG-CB 4.06Å; L250-E477 HydrophobicContact CD2-CG 4.03Å; L250-M480 HydrophobicContact CD1-CE 3.93Å; L250-M480 HydrophobicContact CD1-CG 3.72Å; L250-M480 HydrophobicContact CD1-SD 3.79Å; L250-M480 HydrophobicContact CD2-CG 3.65Å; L250-M480 HydrophobicContact CG-CG 4.27Å; L250-Y536 HydrophobicContact CB-CE1 4.11Å; L250-Y536 HydrophobicContact CD2-CE1 4.11Å; L250-Y536 HydrophobicContact CD2-CE2 4.39Å; L250-Y536 HydrophobicContact CG-CE1 3.86Å
251	L	98	Very high	96.8	Very high	5 Å²	5	47.1 Å²	47.1	3%	0.026	23%	0.226	C	C	.	.	H	α-helix	trans	-55.9	-50.7	172.8	-178	67.9	0	0	0	111.3	K247 R248 R253 L254 V255 L533 Y536 A537 L540 V546 Y551	K247-L251 PolarHBondContact O-N 2.77Å; R248-L251 PolarHBondContact O-N 2.89Å; L251-R253 VanDerWaalsContact C-N 3.26Å; L251-R253 PolarHBondContact O-N 3.2Å; L251-L254 PolarHBondContact O-N 3.34Å; L251-L254 VanDerWaalsContact O-N 3.13Å; L251-V255 WeakPolarHBondContact O-CG2 3.37Å; L251-V255 PolarHBondContact O-N 3.27Å; L251-L533 HydrophobicContact CD1-CD1 3.87Å; L251-Y536 HydrophobicContact CB-CD1 4.34Å; L251-Y536 HydrophobicContact CB-CE1 4.27Å; L251-Y536 HydrophobicContact CD1-CD1 4.23Å; L251-A537 HydrophobicContact CD1-CB 4.16Å; L251-L540 HydrophobicContact CB-CD1 3.95Å; L251-L540 HydrophobicContact CD2-CD1 4.16Å; L251-L540 HydrophobicContact CG-CD1 4.48Å; L251-V546 HydrophobicContact CD2-CB 4.45Å; L251-V546 HydrophobicContact CD2-CG1 4.08Å; L251-V546 HydrophobicContact CD2-CG2 4.03Å; L251-Y551 HydrophobicContact CD1-CD2 4.13Å; L251-Y551 HydrophobicContact CD1-CE2 4.21Å; L251-Y551 HydrophobicContact CD2-CD2 4.26Å
252	A	96.9	Very high	97	Very high	24 Å²	24	43.4 Å²	43.4	20%	0.198	21%	0.208	C	C	.	.	H	α-helix	trans	-63.3	-28.7	179.5	0	0	0	0	0	113.3	R248 L250 R256	R248-A252 WeakPolarHBondContact O-CB 3.3Å; R248-A252 PolarHBondContact O-N 3.43Å; L250-A252 PolarHBondContact O-N 3.21Å; A252-R256 VanDerWaalsContact O-CG 3.29Å; A252-R256 WeakPolarHBondContact O-CG 3.42Å; A252-R256 PolarHBondContact O-N 3.08Å
253	R	97.5	Very high	97.1	Very high	27 Å²	27	41.8 Å²	41.8	10%	0.102	20%	0.201	C	C	.	.	H	α-helix	trans	-73.4	-41.9	172.3	-71.6	166.3	-169.5	-144.7	-4.9	111.7	T249 L250 L251 R256 S257 P284 K287 D291	T249-R253 VanDerWaalsContact CG2-NE 3.29Å; T249-R253 WeakPolarHBondContact O-CD 3.48Å; T249-R253 VanDerWaalsContact O-CG 3.22Å; T249-R253 WeakPolarHBondContact O-CG 3.41Å; T249-R253 PolarHBondContact O-N 3Å; L250-R253 PolarHBondContact O-N 3.47Å; L251-R253 VanDerWaalsContact C-N 3.26Å; L251-R253 PolarHBondContact O-N 3.2Å; R253-R256 PolarHBondContact O-N 2.79Å; R253-S257 PolarHBondContact O-N 3.24Å; R253-S257 VanDerWaalsContact O-N 3.1Å; R253-P284 HydrophobicContact CB-CB 3.67Å; R253-P284 HydrophobicContact CB-CG 4.13Å; R253-P284 HydrophobicContact CG-CB 4.38Å; R253-K287 VanDerWaalsContact NH1-CB 3.34Å; R253-D291 IonicContact CZ-OD2 2.7Å; R253-D291 IonicContact NH1-OD2 3Å; R253-D291 PolarHBondContact NH1-OD2 3.45Å; R253-D291 IonicContact NH2-OD2 3.59Å; R253-D291 PolarHBondContact NH2-OD2 3.21Å
254	L	98.2	Very high	97.1	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-65.2	-43.1	175.9	-71.3	169.8	0	0	0	112	L250 L251 R256 S257 T258 V281 P284 P476 V532 L533 Y536	L250-L254 HydrophobicContact CD1-CD1 4.38Å; L250-L254 HydrophobicContact CD1-CG 4.36Å; L250-L254 HydrophobicContact CG-CD1 4.37Å; L250-L254 WeakPolarHBondContact O-CG 2.93Å; L250-L254 PolarHBondContact O-N 3.24Å; L251-L254 PolarHBondContact O-N 3.34Å; L251-L254 VanDerWaalsContact O-N 3.13Å; L254-R256 PolarHBondContact O-N 3.19Å; L254-S257 WeakPolarHBondContact O-CB 3.44Å; L254-S257 PolarHBondContact O-N 2.94Å; L254-S257 VanDerWaalsContact O-N 3.13Å; L254-T258 PolarHBondContact O-N 3.15Å; L254-T258 PolarHBondContact O-OG1 2.78Å; L254-T258 VanDerWaalsContact O-OG1 3.1Å; L254-V281 HydrophobicContact CD2-CB 4.35Å; L254-V281 HydrophobicContact CD2-CG2 4.49Å; L254-P284 HydrophobicContact CD2-CG 3.76Å; L254-P284 HydrophobicContact CG-CG 4.09Å; L254-P476 HydrophobicContact CD1-CB 3.96Å; L254-P476 HydrophobicContact CD1-CG 3.77Å; L254-V532 HydrophobicContact CD2-CG1 4.43Å; L254-L533 HydrophobicContact CB-CD1 3.82Å; L254-Y536 HydrophobicContact CD1-CD1 3.72Å; L254-Y536 HydrophobicContact CD1-CE1 4.49Å; L254-Y536 HydrophobicContact CD1-CG 4.03Å
255	V	98.4	Very high	97	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.006	17%	0.17	C	C	.	.	H	α-helix	trans	-53.3	-53	174.5	169.6	0	0	0	0	110.3	L251 S257 T258 R259 L533 Y551 I555	L251-V255 WeakPolarHBondContact O-CG2 3.37Å; L251-V255 PolarHBondContact O-N 3.27Å; V255-S257 VanDerWaalsContact C-N 3.29Å; V255-S257 PolarHBondContact O-N 2.85Å; V255-T258 PolarHBondContact O-N 2.84Å; V255-R259 HydrophobicContact CG1-CG 3.94Å; V255-R259 VanDerWaalsContact O-CB 3.26Å; V255-R259 WeakPolarHBondContact O-CB 3.32Å; V255-R259 VanDerWaalsContact O-CG 3.22Å; V255-R259 WeakPolarHBondContact O-CG 3.23Å; V255-R259 PolarHBondContact O-N 3.24Å; V255-L533 HydrophobicContact CG2-CD1 3.75Å; V255-L533 HydrophobicContact CG2-CD2 4.28Å; V255-Y551 HydrophobicContact CG2-CE2 4.38Å; V255-I555 HydrophobicContact CG1-CG1 4.05Å; V255-I555 HydrophobicContact CG2-CG1 4.37Å
256	R	97.9	Very high	97.1	Very high	80 Å²	80	35.4 Å²	35.4	30%	0.302	16%	0.158	S	C	.	.	H	α-helix	trans	-59.6	-39.3	178.8	-66.7	176.7	-174.9	-108.8	-1.4	112.7	A252 R253 L254 F260 N316 Y558	A252-R256 VanDerWaalsContact O-CG 3.29Å; A252-R256 WeakPolarHBondContact O-CG 3.42Å; A252-R256 PolarHBondContact O-N 3.08Å; R253-R256 PolarHBondContact O-N 2.79Å; L254-R256 PolarHBondContact O-N 3.19Å; R256-F260 VanDerWaalsContact O-CB 3.27Å; R256-F260 WeakPolarHBondContact O-CB 3.41Å; R256-F260 PolarHBondContact O-N 3.45Å; R256-N316 PolarHBondContact O-ND2 3.25Å; R256-Y558 HydrophobicContact CB-CD2 4.22Å; R256-Y558 HydrophobicContact CB-CE1 4.43Å; R256-Y558 HydrophobicContact CB-CE2 3.97Å; R256-Y558 HydrophobicContact CG-CD2 3.6Å; R256-Y558 HydrophobicContact CG-CE2 3.74Å; R256-Y558 HydrophobicContact CG-CG 4.05Å; R256-Y558 WeakPolarHBondContact O-CE1 3.48Å
257	S	97.9	Very high	97	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-65	-51.2	177.9	-167.6	0	0	0	0	112.3	R253 L254 V255 E280 I283 N312	R253-S257 PolarHBondContact O-N 3.24Å; R253-S257 VanDerWaalsContact O-N 3.1Å; L254-S257 WeakPolarHBondContact O-CB 3.44Å; L254-S257 PolarHBondContact O-N 2.94Å; L254-S257 VanDerWaalsContact O-N 3.13Å; V255-S257 VanDerWaalsContact C-N 3.29Å; V255-S257 PolarHBondContact O-N 2.85Å; S257-E280 WeakPolarHBondContact CB-O 3.42Å; S257-E280 PolarHBondContact OG-O 2.94Å; S257-I283 WeakPolarHBondContact OG-CG1 3.37Å; S257-N312 PolarHBondContact O-ND2 2.95Å
258	T	98	Very high	96.8	Very high	10 Å²	10	35.2 Å²	35.2	6%	0.061	16%	0.155	C	C	.	.	H	α-helix	trans	-71.1	-49.3	-175.4	-51.6	0	0	0	0	111.5	L254 V255 F260 E261 E262 L533	L254-T258 PolarHBondContact O-N 3.15Å; L254-T258 PolarHBondContact O-OG1 2.78Å; L254-T258 VanDerWaalsContact O-OG1 3.1Å; V255-T258 PolarHBondContact O-N 2.84Å; T258-F260 PolarHBondContact O-N 3.13Å; T258-E261 PolarHBondContact O-N 3.01Å; T258-E262 HydrophobicContact CG2-CG 4.48Å; T258-E262 PolarHBondContact O-N 3.45Å; T258-E262 VanDerWaalsContact O-N 3.13Å; T258-L533 HydrophobicContact CG2-CB 4.47Å; T258-L533 HydrophobicContact CG2-CD2 4.09Å
259	R	97.9	Very high	96.5	Very high	47 Å²	47	33.6 Å²	33.6	18%	0.177	16%	0.16	C	C	.	.	H	α-helix	trans	-63.2	-27.7	-177.6	-63.5	-52.1	-62.2	177.9	-13.8	112.6	V255 E262 F263 I555 Y558 D559	V255-R259 HydrophobicContact CG1-CG 3.94Å; V255-R259 VanDerWaalsContact O-CB 3.26Å; V255-R259 WeakPolarHBondContact O-CB 3.32Å; V255-R259 VanDerWaalsContact O-CG 3.22Å; V255-R259 WeakPolarHBondContact O-CG 3.23Å; V255-R259 PolarHBondContact O-N 3.24Å; R259-E262 VanDerWaalsContact CD-OE2 3.25Å; R259-E262 WeakPolarHBondContact CD-OE2 3.29Å; R259-E262 IonicContact CZ-OE2 3.56Å; R259-E262 IonicContact NE-OE2 3.59Å; R259-E262 IonicContact NH1-OE1 3.65Å; R259-E262 IonicContact NH1-OE2 2.7Å; R259-E262 PolarHBondContact NH1-OE2 3.4Å; R259-F263 WeakPolarHBondContact O-CB 3.39Å; R259-F263 PolarHBondContact O-N 3.34Å; R259-I555 HydrophobicContact CG-CG2 4.39Å; R259-Y558 HydrophobicContact CB-CD1 3.71Å; R259-Y558 HydrophobicContact CB-CE1 4.25Å; R259-D559 IonicContact CZ-OD1 3.92Å; R259-D559 VanDerWaalsContact CZ-OD1 3.23Å; R259-D559 IonicContact CZ-OD2 2.69Å; R259-D559 IonicContact NE-OD1 3.43Å; R259-D559 PolarHBondContact NE-OD1 2.82Å; R259-D559 IonicContact NH2-OD1 3.4Å; R259-D559 PolarHBondContact NH2-OD1 3.47Å; R259-D559 IonicContact NH2-OD2 2.71Å; R259-D559 PolarHBondContact NH2-OD2 3.43Å
260	F	98.1	Very high	96.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-64.4	-47.9	174.3	-177.5	-98.2	0	0	0	112.3	R256 T258 F263 L264 L311 N312 A315 L322 I325 F326 Y558	R256-F260 VanDerWaalsContact O-CB 3.27Å; R256-F260 WeakPolarHBondContact O-CB 3.41Å; R256-F260 PolarHBondContact O-N 3.45Å; T258-F260 PolarHBondContact O-N 3.13Å; F260-F263 WeakPolarHBondContact O-CB 3.49Å; F260-F263 PolarHBondContact O-N 2.72Å; F260-L264 HydrophobicContact CD1-CD1 4.11Å; F260-L264 HydrophobicContact CD1-CG 4.42Å; F260-L264 HydrophobicContact CE1-CD1 3.51Å; F260-L264 HydrophobicContact CE1-CG 4.1Å; F260-L264 HydrophobicContact CZ-CD1 3.94Å; F260-L264 HydrophobicContact CZ-CD2 4.39Å; F260-L264 HydrophobicContact CZ-CG 4.28Å; F260-L264 WeakPolarHBondContact O-CG 3.48Å; F260-L264 PolarHBondContact O-N 2.98Å; F260-L311 HydrophobicContact CE1-CB 3.98Å; F260-L311 HydrophobicContact CZ-CB 4.18Å; F260-N312 HydrophobicContact CD1-CB 3.76Å; F260-N312 HydrophobicContact CE1-CB 3.97Å; F260-A315 HydrophobicContact CD2-CB 4.14Å; F260-A315 HydrophobicContact CE2-CB 3.66Å; F260-A315 HydrophobicContact CZ-CB 3.92Å; F260-L322 HydrophobicContact CD2-CD2 4.26Å; F260-L322 HydrophobicContact CE2-CD2 3.77Å; F260-I325 HydrophobicContact CZ-CG2 4.49Å; F260-F326 HydrophobicContact CE2-CE1 4.01Å; F260-F326 HydrophobicContact CE2-CZ 4.41Å; F260-Y558 HydrophobicContact CB-CE1 4.03Å
261	E	97	Very high	95.7	Very high	4 Å²	4	37.9 Å²	37.9	2%	0.019	18%	0.184	C	C	.	.	H	α-helix	trans	-66.3	-42.2	177.8	-58.4	-60.3	167.2	0	0	111.7	T258 F263 L264 Q265 R273 G275 L276 E277 N312	T258-E261 PolarHBondContact O-N 3.01Å; E261-F263 VanDerWaalsContact C-N 3.27Å; E261-F263 PolarHBondContact O-N 3.47Å; E261-L264 PolarHBondContact O-N 3.31Å; E261-Q265 WeakPolarHBondContact O-CB 3.27Å; E261-Q265 PolarHBondContact O-N 3.31Å; E261-R273 IonicContact OE2-NE 3.79Å; E261-R273 PolarHBondContact OE2-NE 3.33Å; E261-G275 VanDerWaalsContact OE2-CA 3.28Å; E261-G275 WeakPolarHBondContact OE2-CA 3.38Å; E261-L276 HydrophobicContact CG-CB 4.13Å; E261-L276 VanDerWaalsContact OE1-CB 3.24Å; E261-L276 WeakPolarHBondContact OE1-CB 3.44Å; E261-L276 PolarHBondContact OE1-N 3.47Å; E261-E277 HydrophobicContact CB-CG 3.79Å; E261-E277 HydrophobicContact CG-CG 4.17Å; E261-N312 WeakPolarHBondContact OE1-CB 3.47Å; E261-N312 PolarHBondContact OE1-ND2 2.9Å
262	E	96.8	Very high	95.4	Very high	87 Å²	87	42.4 Å²	42.4	41%	0.407	20%	0.204	S	C	.	.	H	α-helix	trans	-62	-35.7	175.7	-67.2	-178	128.8	0	0	111.7	T258 R259 R266	T258-E262 HydrophobicContact CG2-CG 4.48Å; T258-E262 PolarHBondContact O-N 3.45Å; T258-E262 VanDerWaalsContact O-N 3.13Å; R259-E262 VanDerWaalsContact CD-OE2 3.25Å; R259-E262 WeakPolarHBondContact CD-OE2 3.29Å; R259-E262 IonicContact CZ-OE2 3.56Å; R259-E262 IonicContact NE-OE2 3.59Å; R259-E262 IonicContact NH1-OE1 3.65Å; R259-E262 IonicContact NH1-OE2 2.7Å; R259-E262 PolarHBondContact NH1-OE2 3.4Å; E262-R266 WeakPolarHBondContact O-CB 3.22Å; E262-R266 PolarHBondContact O-N 3.23Å
263	F	97.4	Very high	95.2	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.009	20%	0.195	C	C	.	.	H	α-helix	trans	-66.8	-47.6	173.2	-172.8	-88.9	0	0	0	111.9	R259 F260 E261 Q265 R266 K267 W268 F326 C562 E563 F566	R259-F263 WeakPolarHBondContact O-CB 3.39Å; R259-F263 PolarHBondContact O-N 3.34Å; F260-F263 WeakPolarHBondContact O-CB 3.49Å; F260-F263 PolarHBondContact O-N 2.72Å; E261-F263 VanDerWaalsContact C-N 3.27Å; E261-F263 PolarHBondContact O-N 3.47Å; F263-Q265 VanDerWaalsContact C-N 3.34Å; F263-Q265 PolarHBondContact O-N 3.49Å; F263-R266 PolarHBondContact O-N 3.23Å; F263-R266 VanDerWaalsContact O-N 3.15Å; F263-K267 HydrophobicContact CD1-CG 4.01Å; F263-K267 HydrophobicContact CE1-CG 3.64Å; F263-K267 HydrophobicContact CE2-CG 4.45Å; F263-K267 HydrophobicContact CZ-CD 4.28Å; F263-K267 HydrophobicContact CZ-CG 3.89Å; F263-K267 WeakPolarHBondContact O-CG 3.19Å; F263-K267 PolarHBondContact O-N 3.08Å; F263-W268 HydrophobicContact CE1-CZ3 4.4Å; F263-F326 HydrophobicContact CD1-CE1 4.2Å; F263-F326 HydrophobicContact CD1-CE2 4.42Å; F263-F326 AromaticContact CD1-CZ 3.79Å; F263-F326 HydrophobicContact CD1-CZ 3.79Å; F263-F326 HydrophobicContact CE1-CD2 4.46Å; F263-F326 HydrophobicContact CE1-CE1 4.15Å; F263-F326 AromaticContact CE1-CE2 3.74Å; F263-F326 HydrophobicContact CE1-CE2 3.74Å; F263-F326 AromaticContact CE1-CZ 3.56Å; F263-F326 HydrophobicContact CE1-CZ 3.56Å; F263-F326 HydrophobicContact CZ-CE2 4.38Å; F263-C562 HydrophobicContact CD1-CB 4.01Å; F263-C562 HydrophobicContact CD2-CB 3.44Å; F263-C562 VanDerWaalsContact CD2-CB 3.44Å; F263-C562 HydrophobicContact CE1-CB 4.01Å; F263-C562 HydrophobicContact CE2-CB 3.42Å; F263-C562 VanDerWaalsContact CE2-CB 3.42Å; F263-C562 HydrophobicContact CG-CB 3.74Å; F263-C562 VanDerWaalsContact CZ-C 3.43Å; F263-C562 HydrophobicContact CZ-CB 3.72Å; F263-C562 VanDerWaalsContact CZ-O 3.23Å; F263-C562 WeakPolarHBondContact CZ-O 3.48Å; F263-E563 HydrophobicContact CE2-CG 3.89Å; F263-E563 WeakPolarHBondContact CE2-OE1 3.3Å; F263-F566 HydrophobicContact CE1-CB 4.01Å; F263-F566 HydrophobicContact CE1-CG 4.48Å; F263-F566 HydrophobicContact CZ-CB 3.63Å; F263-F566 HydrophobicContact CZ-CG 4.14Å
264	L	95.8	Very high	95.1	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-59	-45.5	176	-67.9	-173.1	0	0	0	111.2	F260 E261 R266 K267 W268 R273 L311 F326 F329	F260-L264 HydrophobicContact CD1-CD1 4.11Å; F260-L264 HydrophobicContact CD1-CG 4.42Å; F260-L264 HydrophobicContact CE1-CD1 3.51Å; F260-L264 HydrophobicContact CE1-CG 4.1Å; F260-L264 HydrophobicContact CZ-CD1 3.94Å; F260-L264 HydrophobicContact CZ-CD2 4.39Å; F260-L264 HydrophobicContact CZ-CG 4.28Å; F260-L264 WeakPolarHBondContact O-CG 3.48Å; F260-L264 PolarHBondContact O-N 2.98Å; E261-L264 PolarHBondContact O-N 3.31Å; L264-R266 VanDerWaalsContact C-N 3.31Å; L264-R266 PolarHBondContact O-N 2.91Å; L264-K267 PolarHBondContact O-N 2.98Å; L264-W268 HydrophobicContact CD2-CE3 3.82Å; L264-W268 HydrophobicContact CD2-CZ3 3.62Å; L264-W268 PolarHBondContact O-N 3.2Å; L264-R273 HydrophobicContact CD1-CB 4.47Å; L264-L311 HydrophobicContact CD1-CD1 4.2Å; L264-F326 HydrophobicContact CD2-CD1 4.11Å; L264-F326 HydrophobicContact CD2-CE1 3.77Å; L264-F329 HydrophobicContact CD1-CZ 4.41Å; L264-F329 HydrophobicContact CD2-CE2 4.27Å; L264-F329 HydrophobicContact CD2-CZ 4.19Å
265	Q	94.6	Very high	94.9	Very high	68 Å²	68	41.5 Å²	41.5	32%	0.318	20%	0.198	S	C	.	.	H	α-helix	trans	-62.7	-35.1	176	-173.7	59.4	43.1	0	0	112.7	E261 F263 S269 R273	E261-Q265 WeakPolarHBondContact O-CB 3.27Å; E261-Q265 PolarHBondContact O-N 3.31Å; F263-Q265 VanDerWaalsContact C-N 3.34Å; F263-Q265 PolarHBondContact O-N 3.49Å; Q265-S269 WeakPolarHBondContact O-CA 3.18Å; Q265-S269 WeakPolarHBondContact O-CB 3.34Å; Q265-S269 PolarHBondContact O-N 3.03Å; Q265-R273 VanDerWaalsContact OE1-CZ 3.26Å
266	R	95.5	Very high	94.8	Very high	122 Å²	122	41.5 Å²	41.5	46%	0.46	20%	0.197	S	C	.	.	H	α-helix	trans	-71.4	-33.8	178.2	-176.4	170.1	81.4	-154.9	11	112.8	E262 F263 L264 D559 E563	E262-R266 WeakPolarHBondContact O-CB 3.22Å; E262-R266 PolarHBondContact O-N 3.23Å; F263-R266 PolarHBondContact O-N 3.23Å; F263-R266 VanDerWaalsContact O-N 3.15Å; L264-R266 VanDerWaalsContact C-N 3.31Å; L264-R266 PolarHBondContact O-N 2.91Å; R266-D559 IonicContact CZ-OD2 3.93Å; R266-D559 IonicContact NH1-OD2 2.72Å; R266-D559 PolarHBondContact NH1-OD2 3.01Å; R266-D559 IonicContact NH2-OD2 3.23Å; R266-D559 PolarHBondContact NH2-OD2 3.09Å; R266-E563 IonicContact CZ-OE1 3.6Å; R266-E563 IonicContact NE-OE1 3.47Å; R266-E563 IonicContact NH2-OE1 2.74Å; R266-E563 PolarHBondContact NH2-OE1 2.84Å
267	K	94.8	Very high	94.7	Very high	58 Å²	58	38.8 Å²	38.8	25%	0.252	19%	0.188	S	C	.	.	H	α-helix	trans	-91.3	-39.8	-178.2	-64.4	-54.2	-167.2	-173.9	0	113.6	F263 L264 E563 F566	F263-K267 HydrophobicContact CD1-CG 4.01Å; F263-K267 HydrophobicContact CE1-CG 3.64Å; F263-K267 HydrophobicContact CE2-CG 4.45Å; F263-K267 HydrophobicContact CZ-CD 4.28Å; F263-K267 HydrophobicContact CZ-CG 3.89Å; F263-K267 WeakPolarHBondContact O-CG 3.19Å; F263-K267 PolarHBondContact O-N 3.08Å; L264-K267 PolarHBondContact O-N 2.98Å; K267-E563 VanDerWaalsContact CE-OE1 3.29Å; K267-E563 WeakPolarHBondContact CE-OE1 3.26Å; K267-E563 WeakPolarHBondContact CE-OE2 3.34Å; K267-E563 IonicContact NZ-OE1 3.56Å; K267-E563 PolarHBondContact NZ-OE1 2.92Å; K267-E563 IonicContact NZ-OE2 2.69Å; K267-E563 PolarHBondContact NZ-OE2 2.95Å; K267-F566 HydrophobicContact CD-CD1 4.15Å; K267-F566 HydrophobicContact CD-CD2 4.45Å; K267-F566 HydrophobicContact CD-CE1 3.89Å; K267-F566 HydrophobicContact CD-CE2 4.21Å; K267-F566 HydrophobicContact CD-CG 4.41Å; K267-F566 HydrophobicContact CD-CZ 3.92Å; K267-F566 HydrophobicContact CG-CD2 4.42Å; K267-F566 HydrophobicContact CG-CE2 4.4Å
268	W	93.1	Very high	94.7	Very high	37 Å²	37	39 Å²	39	14%	0.14	19%	0.19	C	C	.	.			trans	-134.1	60.1	-171.3	-56.9	-78.6	0	0	0	111.2	F263 L264 S270 E271 F326 F329 F566	F263-W268 HydrophobicContact CE1-CZ3 4.4Å; L264-W268 HydrophobicContact CD2-CE3 3.82Å; L264-W268 HydrophobicContact CD2-CZ3 3.62Å; L264-W268 PolarHBondContact O-N 3.2Å; W268-S270 PolarHBondContact O-N 2.73Å; W268-S270 VanDerWaalsContact O-N 3.1Å; W268-E271 HydrophobicContact CB-CB 3.86Å; W268-E271 HydrophobicContact CB-CG 3.97Å; W268-E271 PolarHBondContact O-N 2.72Å; W268-E271 VanDerWaalsContact O-N 3.08Å; W268-F326 HydrophobicContact CH2-CB 3.7Å; W268-F326 AromaticContact CH2-CD1 3.72Å; W268-F326 HydrophobicContact CH2-CD1 3.72Å; W268-F326 HydrophobicContact CH2-CD2 4.46Å; W268-F326 HydrophobicContact CH2-CE1 4.49Å; W268-F326 AromaticContact CH2-CG 3.71Å; W268-F326 HydrophobicContact CH2-CG 3.71Å; W268-F326 HydrophobicContact CZ2-CB 4.32Å; W268-F326 AromaticContact CZ3-CD1 3.79Å; W268-F326 HydrophobicContact CZ3-CD1 3.79Å; W268-F326 HydrophobicContact CZ3-CE1 4.23Å; W268-F326 HydrophobicContact CZ3-CG 4.25Å; W268-F329 HydrophobicContact CB-CD1 3.94Å; W268-F329 HydrophobicContact CB-CE1 4.46Å; W268-F329 HydrophobicContact CD2-CB 3.69Å; W268-F329 AromaticContact CD2-CD1 3.88Å; W268-F329 HydrophobicContact CD2-CD1 3.88Å; W268-F329 HydrophobicContact CD2-CD2 4.49Å; W268-F329 AromaticContact CD2-CG 3.81Å; W268-F329 HydrophobicContact CD2-CG 3.81Å; W268-F329 AromaticContact CE2-CG 3.99Å; W268-F329 HydrophobicContact CE3-CB 4.41Å; W268-F329 HydrophobicContact CE3-CD1 4.18Å; W268-F329 HydrophobicContact CE3-CD2 4.4Å; W268-F329 HydrophobicContact CE3-CG 4.11Å; W268-F329 HydrophobicContact CG-CB 3.87Å; W268-F329 AromaticContact CG-CD1 3.78Å; W268-F329 HydrophobicContact CG-CD1 3.78Å; W268-F329 HydrophobicContact CG-CG 4.08Å; W268-F329 HydrophobicContact CZ2-CB 3.89Å; W268-F329 HydrophobicContact CZ2-CG 4.45Å; W268-F329 VanDerWaalsContact NE1-CB 3.33Å; W268-F566 AromaticContact CH2-CD2 3.64Å; W268-F566 HydrophobicContact CH2-CD2 3.64Å; W268-F566 HydrophobicContact CH2-CE2 4.03Å; W268-F566 AromaticContact CZ2-CD2 3.69Å; W268-F566 HydrophobicContact CZ2-CD2 3.69Å; W268-F566 AromaticContact CZ2-CE2 3.63Å; W268-F566 HydrophobicContact CZ2-CE2 3.63Å
269	S	89.4	Confident	94.7	Very high	71 Å²	71	38.5 Å²	38.5	50%	0.497	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-20.1	-173.8	56.7	0	0	0	0	115.6	Q265	Q265-S269 WeakPolarHBondContact O-CA 3.18Å; Q265-S269 WeakPolarHBondContact O-CB 3.34Å; Q265-S269 PolarHBondContact O-N 3.03Å
270	S	86.8	Confident	94.7	Very high	80 Å²	80	36.7 Å²	36.7	56%	0.559	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.2	-5.6	178.2	58.4	0	0	0	0	114.6	W268	W268-S270 PolarHBondContact O-N 2.73Å; W268-S270 VanDerWaalsContact O-N 3.1Å
271	E	89.8	Confident	94.7	Very high	71 Å²	71	36.7 Å²	36.7	33%	0.332	18%	0.181	S	C	.	.	S	Bend	trans	-90.2	134.7	-174.4	-83.1	-74.8	107.7	0	0	112.1	W268 R273 F329 K344	W268-E271 HydrophobicContact CB-CB 3.86Å; W268-E271 HydrophobicContact CB-CG 3.97Å; W268-E271 PolarHBondContact O-N 2.72Å; W268-E271 VanDerWaalsContact O-N 3.08Å; E271-R273 PolarHBondContact O-N 3.09Å; E271-F329 HydrophobicContact CB-CD1 3.85Å; E271-F329 HydrophobicContact CB-CE1 4Å; E271-F329 HydrophobicContact CG-CD1 3.94Å; E271-K344 IonicContact OE2-NZ 3.8Å; E271-K344 PolarHBondContact OE2-NZ 3.11Å
272	K	90.9	Very high	94.8	Very high	100 Å²	100	36.5 Å²	36.5	44%	0.435	18%	0.18	S	C	.	.			trans	-72.5	115.9	174.7	-59.3	-172.7	-175.9	-174.5	0	109.7	N510 E511	K272-N510 HydrophobicContact CB-CB 4.35Å; K272-N510 HydrophobicContact CD-CB 3.99Å; K272-N510 WeakPolarHBondContact CE-OD1 3.12Å; K272-N510 HydrophobicContact CG-CB 4.01Å; K272-E511 WeakPolarHBondContact CA-OE2 3.25Å
273	R	92.9	Very high	94.9	Very high	5 Å²	5	32.5 Å²	32.5	2%	0.019	16%	0.161	C	C	.	.			trans	-119.4	-18.7	178.2	64.3	170	-179.2	-73.6	-7.3	114.1	E261 L264 Q265 E271 E277 L311 F329 E511	E261-R273 IonicContact OE2-NE 3.79Å; E261-R273 PolarHBondContact OE2-NE 3.33Å; L264-R273 HydrophobicContact CD1-CB 4.47Å; Q265-R273 VanDerWaalsContact OE1-CZ 3.26Å; E271-R273 PolarHBondContact O-N 3.09Å; R273-E277 IonicContact CZ-OE1 2.76Å; R273-E277 IonicContact NH2-OE1 2.68Å; R273-E277 PolarHBondContact NH2-OE1 3.32Å; R273-E277 IonicContact NH2-OE2 2.65Å; R273-L311 HydrophobicContact CB-CD1 4.17Å; R273-F329 HydrophobicContact CB-CZ 4.49Å; R273-E511 HydrophobicContact CG-CG 4.27Å; R273-E511 VanDerWaalsContact CG-OE1 3.3Å; R273-E511 WeakPolarHBondContact CG-OE1 3.39Å; R273-E511 PolarHBondContact N-OE2 3.45Å
274	F	95.6	Very high	94.9	Very high	23 Å²	23	32.4 Å²	32.4	10%	0.101	16%	0.161	C	C	.	.			trans	57	51.1	-172.7	-59.7	-81.8	0	0	0	112.5	H307 R308 G309 Y345 H509 N510 E511	F274-H307 HydrophobicContact CB-CB 3.89Å; F274-H307 HydrophobicContact CD1-CB 4.36Å; F274-H307 AromaticContact CD1-CD2 3.55Å; F274-H307 HydrophobicContact CD2-CB 3.83Å; F274-H307 HydrophobicContact CE2-CB 4.46Å; F274-H307 HydrophobicContact CG-CB 3.77Å; F274-H307 AromaticContact CG-CD2 3.73Å; F274-H307 AromaticContact CG-CG 3.92Å; F274-R308 WeakPolarHBondContact O-CA 3.35Å; F274-G309 PolarHBondContact O-N 3.13Å; F274-Y345 AromaticContact CD2-CD1 3.85Å; F274-Y345 HydrophobicContact CD2-CD1 3.85Å; F274-Y345 HydrophobicContact CD2-CD2 4.31Å; F274-Y345 AromaticContact CD2-CE1 3.91Å; F274-Y345 HydrophobicContact CD2-CE1 3.91Å; F274-Y345 HydrophobicContact CD2-CE2 4.35Å; F274-Y345 HydrophobicContact CD2-CG 4.05Å; F274-Y345 HydrophobicContact CE2-CD1 4.15Å; F274-Y345 HydrophobicContact CE2-CD2 4.27Å; F274-Y345 AromaticContact CE2-CE1 3.77Å; F274-Y345 HydrophobicContact CE2-CE1 3.77Å; F274-Y345 AromaticContact CE2-CE2 3.88Å; F274-Y345 HydrophobicContact CE2-CE2 3.88Å; F274-Y345 HydrophobicContact CE2-CG 4.39Å; F274-Y345 AromaticContact CE2-CZ 3.61Å; F274-H509 WeakPolarHBondContact CD1-O 3.42Å; F274-H509 AromaticContact CE1-CD2 3.89Å; F274-H509 AromaticContact CE1-NE2 3.55Å; F274-H509 WeakPolarHBondContact CE1-O 3.41Å; F274-N510 HydrophobicContact CD1-CB 4.46Å; F274-N510 HydrophobicContact CE1-CB 3.97Å; F274-N510 HydrophobicContact CZ-CB 4.3Å; F274-E511 VanDerWaalsContact CA-OE1 3.26Å; F274-E511 WeakPolarHBondContact CA-OE1 3.36Å; F274-E511 PolarHBondContact N-OE1 3.01Å; F274-E511 PolarHBondContact N-OE2 3.29Å
275	G	93.8	Very high	95.1	Very high	5 Å²	5	32.3 Å²	32.3	5%	0.052	16%	0.16	C	C	.	.			trans	-62.4	158.5	-169.2	0	0	0	0	0	114.7	E261 E277 R308 E511	E261-G275 VanDerWaalsContact OE2-CA 3.28Å; E261-G275 WeakPolarHBondContact OE2-CA 3.38Å; G275-E277 VanDerWaalsContact C-N 3.28Å; G275-E277 WeakPolarHBondContact CA-OE2 3.38Å; G275-E277 PolarHBondContact O-N 3.47Å; G275-R308 WeakPolarHBondContact O-CD 3.49Å; G275-R308 PolarHBondContact O-NE 2.96Å; G275-E511 PolarHBondContact N-OE1 3.3Å
276	L	96.2	Very high	95.3	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.145	C	C	.	.			trans	-78.6	-3.1	-173.3	-169.9	53.5	0	0	0	114.3	E261 G278 C279 L282 I283 N312	E261-L276 HydrophobicContact CG-CB 4.13Å; E261-L276 VanDerWaalsContact OE1-CB 3.24Å; E261-L276 WeakPolarHBondContact OE1-CB 3.44Å; E261-L276 PolarHBondContact OE1-N 3.47Å; L276-G278 PolarHBondContact O-N 3.49Å; L276-C279 HydrophobicContact CD1-CB 4.03Å; L276-C279 WeakPolarHBondContact CD1-O 3.49Å; L276-C279 WeakPolarHBondContact CG-O 3.36Å; L276-C279 CarbonylContact O-C 3.55Å; L276-C279 PolarHBondContact O-N 3.31Å; L276-L282 HydrophobicContact CD1-CB 3.97Å; L276-L282 HydrophobicContact CD1-CD2 3.66Å; L276-L282 HydrophobicContact CD1-CG 4.47Å; L276-L282 HydrophobicContact CD2-CB 4.1Å; L276-L282 HydrophobicContact CD2-CD2 4.41Å; L276-I283 HydrophobicContact CD2-CD1 4.13Å; L276-I283 HydrophobicContact CD2-CG1 3.71Å; L276-N312 HydrophobicContact CD2-CB 4.4Å
277	E	97.1	Very high	95.4	Very high	24 Å²	24	24.5 Å²	24.5	11%	0.112	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	129.1	-166.7	-54.5	100.5	114.9	0	0	113.5	E261 R273 G275 E280 R308 R506 N507	E261-E277 HydrophobicContact CB-CG 3.79Å; E261-E277 HydrophobicContact CG-CG 4.17Å; R273-E277 IonicContact CZ-OE1 2.76Å; R273-E277 IonicContact NH2-OE1 2.68Å; R273-E277 PolarHBondContact NH2-OE1 3.32Å; R273-E277 IonicContact NH2-OE2 2.65Å; G275-E277 VanDerWaalsContact C-N 3.28Å; G275-E277 WeakPolarHBondContact CA-OE2 3.38Å; G275-E277 PolarHBondContact O-N 3.47Å; E277-E280 VanDerWaalsContact CA-OE1 3.3Å; E277-E280 WeakPolarHBondContact CA-OE1 3.22Å; E277-R308 PolarHBondContact O-NH2 3.01Å; E277-R506 HydrophobicContact CB-CB 3.49Å; E277-R506 VanDerWaalsContact CB-CB 3.49Å; E277-R506 HydrophobicContact CB-CG 4.16Å; E277-R506 PolarHBondContact O-N 2.84Å; E277-N507 PolarHBondContact OE1-ND2 2.88Å
278	G	97.3	Very high	95.6	Very high	3 Å²	3	23 Å²	23	3%	0.031	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.2	-0.5	-168.3	0	0	0	0	0	115.3	L276 E280 C503 Y504	L276-G278 PolarHBondContact O-N 3.49Å; G278-E280 WeakPolarHBondContact CA-OE2 3.47Å; G278-E280 PolarHBondContact N-OE1 2.99Å; G278-E280 PolarHBondContact N-OE2 3.32Å; G278-E280 VanDerWaalsContact N-OE2 3.08Å; G278-C503 WeakPolarHBondContact O-CB 3.5Å; G278-Y504 CarbonylContact C-O 3.46Å; G278-Y504 VanDerWaalsContact CA-CE2 3.42Å; G278-Y504 PolarHBondContact O-N 3.49Å
279	C	98.3	Very high	95.8	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.007	12%	0.117	C	C	.	.			trans	-144.5	34.4	171.4	-166.3	0	0	0	0	112.1	L276 V281 L282 V438 C503	L276-C279 HydrophobicContact CD1-CB 4.03Å; L276-C279 WeakPolarHBondContact CD1-O 3.49Å; L276-C279 WeakPolarHBondContact CG-O 3.36Å; L276-C279 CarbonylContact O-C 3.55Å; L276-C279 PolarHBondContact O-N 3.31Å; C279-V281 PolarHBondContact O-N 2.9Å; C279-L282 WeakPolarHBondContact O-CB 3.41Å; C279-L282 PolarHBondContact O-N 2.81Å; C279-V438 HydrophobicContact CB-CG1 4.16Å; C279-C503 HydrophobicContact CB-CB 3.76Å; C279-C503 VanDerWaalsContact SG-SG 3.64Å
280	E	98.2	Very high	96.3	Very high	8 Å²	8	17.9 Å²	17.9	4%	0.037	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-17.4	-176.1	-58.5	85.5	166.1	0	0	113.2	S257 E277 G278 L282 P284 V532	S257-E280 WeakPolarHBondContact CB-O 3.42Å; S257-E280 PolarHBondContact OG-O 2.94Å; E277-E280 VanDerWaalsContact CA-OE1 3.3Å; E277-E280 WeakPolarHBondContact CA-OE1 3.22Å; G278-E280 WeakPolarHBondContact CA-OE2 3.47Å; G278-E280 PolarHBondContact N-OE1 2.99Å; G278-E280 PolarHBondContact N-OE2 3.32Å; G278-E280 VanDerWaalsContact N-OE2 3.08Å; E280-L282 PolarHBondContact O-N 3.27Å; E280-P284 WeakPolarHBondContact O-CD 3.48Å; E280-V532 HydrophobicContact CB-CG1 3.93Å
281	V	98.4	Very high	96.8	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-16	173.6	76.9	0	0	0	0	114.1	L254 C279 I283 P284 A285 P476 V479 M480	L254-V281 HydrophobicContact CD2-CB 4.35Å; L254-V281 HydrophobicContact CD2-CG2 4.49Å; C279-V281 PolarHBondContact O-N 2.9Å; V281-I283 VanDerWaalsContact C-N 3.27Å; V281-I283 PolarHBondContact O-N 3.34Å; V281-P284 HydrophobicContact CG2-CG 4.31Å; V281-P284 WeakPolarHBondContact O-CD 3.36Å; V281-P284 VanDerWaalsContact O-CG 3.26Å; V281-P284 WeakPolarHBondContact O-CG 3.47Å; V281-A285 VanDerWaalsContact O-CB 3.22Å; V281-A285 WeakPolarHBondContact O-CB 3.32Å; V281-A285 PolarHBondContact O-N 3.49Å; V281-P476 HydrophobicContact CG2-CB 4.19Å; V281-V479 HydrophobicContact CG1-CG1 4.34Å; V281-V479 HydrophobicContact CG1-CG2 4.15Å; V281-V479 HydrophobicContact CG2-CB 3.8Å; V281-V479 HydrophobicContact CG2-CG1 3.87Å; V281-V479 HydrophobicContact CG2-CG2 3.94Å; V281-M480 HydrophobicContact CG2-CE 3.88Å
282	L	98.6	Very high	97.1	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-57.7	-37.3	178.2	177.3	66.6	0	0	0	112.5	L276 C279 E280 A285 L286 V313 L404 V436 V438 L501	L276-L282 HydrophobicContact CD1-CB 3.97Å; L276-L282 HydrophobicContact CD1-CD2 3.66Å; L276-L282 HydrophobicContact CD1-CG 4.47Å; L276-L282 HydrophobicContact CD2-CB 4.1Å; L276-L282 HydrophobicContact CD2-CD2 4.41Å; C279-L282 WeakPolarHBondContact O-CB 3.41Å; C279-L282 PolarHBondContact O-N 2.81Å; E280-L282 PolarHBondContact O-N 3.27Å; L282-A285 WeakPolarHBondContact O-CB 3.38Å; L282-A285 PolarHBondContact O-N 3.27Å; L282-L286 HydrophobicContact CD1-CD1 3.9Å; L282-L286 HydrophobicContact CD1-CD2 4.33Å; L282-L286 HydrophobicContact CD1-CG 3.88Å; L282-L286 HydrophobicContact CD2-CD1 4.47Å; L282-L286 HydrophobicContact CG-CD1 3.81Å; L282-L286 HydrophobicContact CG-CG 4.24Å; L282-L286 WeakPolarHBondContact O-CB 3.32Å; L282-L286 VanDerWaalsContact O-CG 3.27Å; L282-L286 WeakPolarHBondContact O-CG 3.35Å; L282-L286 PolarHBondContact O-N 3Å; L282-V313 HydrophobicContact CD2-CG2 4.45Å; L282-L404 HydrophobicContact CD1-CD2 4.17Å; L282-L404 HydrophobicContact CD2-CD2 4.24Å; L282-V436 HydrophobicContact CD1-CG1 3.76Å; L282-V438 HydrophobicContact CD1-CG2 4.25Å; L282-V438 HydrophobicContact CD2-CG2 3.98Å; L282-L501 HydrophobicContact CB-CD1 4.38Å; L282-L501 HydrophobicContact CD1-CD1 3.75Å
283	I	98.6	Very high	97.5	Very high	3 Å²	3	8.7 Å²	8.7	2%	0.015	5%	0.045	C	C	.	.	H	α-helix	trans	-66.5	-51.2	-179.7	-60.7	-60.3	0	0	0	112.1	S257 L276 V281 A285 K287 N312 V313 N316 V317	S257-I283 WeakPolarHBondContact OG-CG1 3.37Å; L276-I283 HydrophobicContact CD2-CD1 4.13Å; L276-I283 HydrophobicContact CD2-CG1 3.71Å; V281-I283 VanDerWaalsContact C-N 3.27Å; V281-I283 PolarHBondContact O-N 3.34Å; I283-A285 VanDerWaalsContact C-N 3.32Å; I283-A285 PolarHBondContact O-N 2.94Å; I283-K287 WeakPolarHBondContact O-CB 3.43Å; I283-K287 WeakPolarHBondContact O-CG 3.22Å; I283-K287 PolarHBondContact O-N 2.93Å; I283-N312 HydrophobicContact CD1-CB 4.07Å; I283-V313 HydrophobicContact CD1-CG2 3.91Å; I283-N316 HydrophobicContact CD1-CB 4.49Å; I283-N316 HydrophobicContact CG2-CB 3.67Å; I283-V317 HydrophobicContact CD1-CG2 3.87Å; I283-V317 HydrophobicContact CG2-CG2 4.26Å
284	P	98.4	Very high	97.7	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-61.5	-37.3	169.9	14.2	-22.4	0	0	0	113.2	L250 R253 L254 E280 V281 K287 T288 M480	L250-P284 HydrophobicContact CD1-CB 3.5Å; L250-P284 HydrophobicContact CD1-CG 3.86Å; R253-P284 HydrophobicContact CB-CB 3.67Å; R253-P284 HydrophobicContact CB-CG 4.13Å; R253-P284 HydrophobicContact CG-CB 4.38Å; L254-P284 HydrophobicContact CD2-CG 3.76Å; L254-P284 HydrophobicContact CG-CG 4.09Å; E280-P284 WeakPolarHBondContact O-CD 3.48Å; V281-P284 HydrophobicContact CG2-CG 4.31Å; V281-P284 WeakPolarHBondContact O-CD 3.36Å; V281-P284 VanDerWaalsContact O-CG 3.26Å; V281-P284 WeakPolarHBondContact O-CG 3.47Å; P284-K287 PolarHBondContact O-N 2.86Å; P284-T288 WeakPolarHBondContact O-CB 3.45Å; P284-T288 PolarHBondContact O-N 2.87Å; P284-T288 PolarHBondContact O-OG1 2.8Å; P284-T288 VanDerWaalsContact O-OG1 3.06Å; P284-M480 HydrophobicContact CB-CE 3.77Å; P284-M480 HydrophobicContact CB-SD 3.8Å; P284-M480 HydrophobicContact CG-CE 4.21Å
285	A	98.7	Very high	97.8	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-58.8	-56.2	-179.7	0	0	0	0	0	112.4	V281 L282 I283 K287 T288 I289 V479 M480 C483	V281-A285 VanDerWaalsContact O-CB 3.22Å; V281-A285 WeakPolarHBondContact O-CB 3.32Å; V281-A285 PolarHBondContact O-N 3.49Å; L282-A285 WeakPolarHBondContact O-CB 3.38Å; L282-A285 PolarHBondContact O-N 3.27Å; I283-A285 VanDerWaalsContact C-N 3.32Å; I283-A285 PolarHBondContact O-N 2.94Å; A285-K287 VanDerWaalsContact C-N 3.27Å; A285-K287 PolarHBondContact O-N 3.11Å; A285-T288 PolarHBondContact O-N 3.27Å; A285-T288 VanDerWaalsContact O-N 3.09Å; A285-I289 WeakPolarHBondContact O-CG1 3.13Å; A285-I289 PolarHBondContact O-N 3.01Å; A285-V479 HydrophobicContact CB-CG1 3.77Å; A285-M480 HydrophobicContact CB-CE 4.25Å; A285-C483 VanDerWaalsContact CB-SG 3.58Å
286	L	98.6	Very high	97.9	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-57.3	-42	175.9	-68	167.1	0	0	0	111.6	L282 T288 I289 I290 V313 V317 I402 L404 V436	L282-L286 HydrophobicContact CD1-CD1 3.9Å; L282-L286 HydrophobicContact CD1-CD2 4.33Å; L282-L286 HydrophobicContact CD1-CG 3.88Å; L282-L286 HydrophobicContact CD2-CD1 4.47Å; L282-L286 HydrophobicContact CG-CD1 3.81Å; L282-L286 HydrophobicContact CG-CG 4.24Å; L282-L286 WeakPolarHBondContact O-CB 3.32Å; L282-L286 VanDerWaalsContact O-CG 3.27Å; L282-L286 WeakPolarHBondContact O-CG 3.35Å; L282-L286 PolarHBondContact O-N 3Å; L286-T288 PolarHBondContact O-N 3.03Å; L286-I289 PolarHBondContact O-N 3.07Å; L286-I290 WeakPolarHBondContact O-CB 3.12Å; L286-I290 WeakPolarHBondContact O-CD1 3.25Å; L286-I290 VanDerWaalsContact O-CG1 3.25Å; L286-I290 WeakPolarHBondContact O-CG1 3.32Å; L286-I290 PolarHBondContact O-N 3.46Å; L286-V313 HydrophobicContact CD1-CG1 4.27Å; L286-V313 HydrophobicContact CD1-CG2 3.71Å; L286-V317 HydrophobicContact CB-CG1 4.29Å; L286-V317 HydrophobicContact CB-CG2 4.17Å; L286-V317 HydrophobicContact CD1-CG2 4.06Å; L286-I402 HydrophobicContact CD2-CG2 4.15Å; L286-L404 HydrophobicContact CD1-CD2 3.93Å; L286-L404 HydrophobicContact CD2-CD1 3.94Å; L286-L404 HydrophobicContact CD2-CD2 4.02Å; L286-L404 HydrophobicContact CD2-CG 4.12Å; L286-V436 HydrophobicContact CD2-CG2 4.43Å
287	K	97.9	Very high	97.9	Very high	26 Å²	26	14.2 Å²	14.2	11%	0.113	9%	0.087	C	C	.	.	H	α-helix	trans	-63.8	-40.2	176.9	-80.4	-163	51.1	38.6	0	112.3	R253 I283 P284 A285 I290 D291 V317	R253-K287 VanDerWaalsContact NH1-CB 3.34Å; I283-K287 WeakPolarHBondContact O-CB 3.43Å; I283-K287 WeakPolarHBondContact O-CG 3.22Å; I283-K287 PolarHBondContact O-N 2.93Å; P284-K287 PolarHBondContact O-N 2.86Å; A285-K287 VanDerWaalsContact C-N 3.27Å; A285-K287 PolarHBondContact O-N 3.11Å; K287-I290 PolarHBondContact O-N 3.23Å; K287-D291 IonicContact NZ-OD1 2.74Å; K287-D291 PolarHBondContact NZ-OD1 2.98Å; K287-D291 IonicContact NZ-OD2 3.75Å; K287-D291 VanDerWaalsContact O-CB 3.28Å; K287-D291 WeakPolarHBondContact O-CB 3.47Å; K287-D291 PolarHBondContact O-N 3.34Å; K287-V317 HydrophobicContact CG-CG1 4.49Å; K287-V317 HydrophobicContact CG-CG2 4.35Å
288	T	98.3	Very high	97.9	Very high	25 Å²	25	13.1 Å²	13.1	15%	0.153	8%	0.082	C	C	.	.	H	α-helix	trans	-67.2	-37.5	177.9	-65	0	0	0	0	112	P284 A285 L286 M292 M480 C483 K484	P284-T288 WeakPolarHBondContact O-CB 3.45Å; P284-T288 PolarHBondContact O-N 2.87Å; P284-T288 PolarHBondContact O-OG1 2.8Å; P284-T288 VanDerWaalsContact O-OG1 3.06Å; A285-T288 PolarHBondContact O-N 3.27Å; A285-T288 VanDerWaalsContact O-N 3.09Å; L286-T288 PolarHBondContact O-N 3.03Å; T288-M292 VanDerWaalsContact O-CB 3.23Å; T288-M292 WeakPolarHBondContact O-CB 3.27Å; T288-M292 PolarHBondContact O-N 3.18Å; T288-M480 HydrophobicContact CG2-SD 4.37Å; T288-M480 PolarHBondContact OG1-SD 3.08Å; T288-C483 HydrophobicContact CG2-CB 4.27Å; T288-K484 HydrophobicContact CG2-CB 4.43Å
289	I	98.7	Very high	97.9	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-59.5	-51.8	170	-61.3	162.2	0	0	0	109.9	A285 L286 D291 M292 S293 M400 I402 V434 V436 C483 A487	A285-I289 WeakPolarHBondContact O-CG1 3.13Å; A285-I289 PolarHBondContact O-N 3.01Å; L286-I289 PolarHBondContact O-N 3.07Å; I289-D291 PolarHBondContact O-N 3.25Å; I289-M292 PolarHBondContact O-N 3.49Å; I289-S293 WeakPolarHBondContact O-CB 3.46Å; I289-S293 PolarHBondContact O-N 3.44Å; I289-S293 PolarHBondContact O-OG 3.2Å; I289-M400 HydrophobicContact CG2-CE 4.33Å; I289-I402 HydrophobicContact CB-CD1 4.33Å; I289-I402 HydrophobicContact CG2-CD1 3.63Å; I289-I402 HydrophobicContact CG2-CG1 4.33Å; I289-V434 HydrophobicContact CD1-CG1 3.81Å; I289-V434 HydrophobicContact CG1-CG1 4.4Å; I289-V434 HydrophobicContact CG2-CB 4.37Å; I289-V434 HydrophobicContact CG2-CG1 4.24Å; I289-V434 HydrophobicContact CG2-CG2 4.28Å; I289-V436 HydrophobicContact CD1-CG2 3.83Å; I289-C483 HydrophobicContact CD1-CB 4.42Å; I289-C483 HydrophobicContact CG1-CB 3.84Å; I289-A487 HydrophobicContact CG2-CB 4.26Å
290	I	98.4	Very high	97.9	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.005	10%	0.102	C	C	.	.	H	α-helix	trans	-63.1	-41.6	-178.1	-69.7	166.4	0	0	0	112.1	L286 K287 S294 V301 M303 V317 I362 L364 I402	L286-I290 WeakPolarHBondContact O-CB 3.12Å; L286-I290 WeakPolarHBondContact O-CD1 3.25Å; L286-I290 VanDerWaalsContact O-CG1 3.25Å; L286-I290 WeakPolarHBondContact O-CG1 3.32Å; L286-I290 PolarHBondContact O-N 3.46Å; K287-I290 PolarHBondContact O-N 3.23Å; I290-S294 WeakPolarHBondContact O-CB 3.28Å; I290-S294 PolarHBondContact O-N 3Å; I290-V301 HydrophobicContact CG1-CG1 4.43Å; I290-V301 HydrophobicContact CG1-CG2 4.47Å; I290-M303 HydrophobicContact CD1-SD 4.43Å; I290-V317 HydrophobicContact CD1-CG1 3.54Å; I290-I362 HydrophobicContact CG2-CD1 3.69Å; I290-L364 HydrophobicContact CD1-CD2 4.29Å; I290-L364 HydrophobicContact CG2-CD2 4.3Å; I290-I402 HydrophobicContact CG1-CD1 3.98Å
291	D	97.4	Very high	97.9	Very high	12 Å²	12	17.4 Å²	17.4	6%	0.064	10%	0.1	C	C	.	.	H	α-helix	trans	-68	-42.7	179.7	-60.3	-25	0	0	0	110.6	R253 K287 I289 S294 A295 N355 V357	R253-D291 IonicContact CZ-OD2 2.7Å; R253-D291 IonicContact NH1-OD2 3Å; R253-D291 PolarHBondContact NH1-OD2 3.45Å; R253-D291 IonicContact NH2-OD2 3.59Å; R253-D291 PolarHBondContact NH2-OD2 3.21Å; K287-D291 IonicContact NZ-OD1 2.74Å; K287-D291 PolarHBondContact NZ-OD1 2.98Å; K287-D291 IonicContact NZ-OD2 3.75Å; K287-D291 VanDerWaalsContact O-CB 3.28Å; K287-D291 WeakPolarHBondContact O-CB 3.47Å; K287-D291 PolarHBondContact O-N 3.34Å; I289-D291 PolarHBondContact O-N 3.25Å; D291-S294 PolarHBondContact O-N 2.81Å; D291-A295 PolarHBondContact O-N 2.66Å; D291-N355 PolarHBondContact OD1-ND2 3.25Å; D291-N355 PolarHBondContact OD1-OD1 3.09Å; D291-V357 HydrophobicContact CB-CB 4.33Å; D291-V357 HydrophobicContact CB-CG1 4.31Å; D291-V357 HydrophobicContact CB-CG2 4.48Å
292	M	97.6	Very high	97.9	Very high	45 Å²	45	17.4 Å²	17.4	22%	0.222	10%	0.101	C	C	.	.	H	α-helix	trans	-69.4	-44	177.8	-173.2	53.3	51.9	0	0	112.5	T288 I289 S294 A295 N296 K484 A487 E488	T288-M292 VanDerWaalsContact O-CB 3.23Å; T288-M292 WeakPolarHBondContact O-CB 3.27Å; T288-M292 PolarHBondContact O-N 3.18Å; I289-M292 PolarHBondContact O-N 3.49Å; M292-S294 VanDerWaalsContact C-N 3.32Å; M292-S294 PolarHBondContact O-N 2.91Å; M292-A295 PolarHBondContact O-N 2.87Å; M292-N296 PolarHBondContact O-N 3.31Å; M292-N296 VanDerWaalsContact O-N 3.08Å; M292-N296 PolarHBondContact O-ND2 2.84Å; M292-N296 PolarHBondContact SD-ND2 3.26Å; M292-K484 HydrophobicContact CE-CD 4.09Å; M292-K484 HydrophobicContact CE-CG 4.02Å; M292-K484 HydrophobicContact CG-CG 4.38Å; M292-A487 HydrophobicContact CB-CB 3.82Å; M292-A487 HydrophobicContact CG-CB 3.78Å; M292-E488 HydrophobicContact CG-CG 4.16Å; M292-E488 HydrophobicContact SD-CG 4.25Å
293	S	98.1	Very high	97.9	Very high	2 Å²	2	17.5 Å²	17.5	1%	0.014	10%	0.101	C	C	.	.	H	α-helix	trans	-62.3	-39.9	173.9	-68.3	0	0	0	0	111.9	I289 A295 N296 G297 V298 M400	I289-S293 WeakPolarHBondContact O-CB 3.46Å; I289-S293 PolarHBondContact O-N 3.44Å; I289-S293 PolarHBondContact O-OG 3.2Å; S293-A295 VanDerWaalsContact C-N 3.35Å; S293-A295 PolarHBondContact O-N 2.78Å; S293-N296 PolarHBondContact O-N 2.78Å; S293-G297 PolarHBondContact O-N 3.46Å; S293-V298 WeakPolarHBondContact O-CB 3.35Å; S293-V298 PolarHBondContact O-N 3.19Å; S293-M400 WeakPolarHBondContact CB-SD 3.38Å; S293-M400 PolarHBondContact OG-SD 2.76Å
294	S	97.5	Very high	97.8	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-64.3	-37.4	175.3	-174.5	0	0	0	0	112.4	I290 D291 M292 N296 V298 T358 R360	I290-S294 WeakPolarHBondContact O-CB 3.28Å; I290-S294 PolarHBondContact O-N 3Å; D291-S294 PolarHBondContact O-N 2.81Å; M292-S294 VanDerWaalsContact C-N 3.32Å; M292-S294 PolarHBondContact O-N 2.91Å; S294-N296 VanDerWaalsContact C-N 3.34Å; S294-V298 WeakPolarHBondContact CA-O 3.49Å; S294-T358 PolarHBondContact OG-OG1 2.79Å; S294-R360 WeakPolarHBondContact O-CD 3.5Å; S294-R360 PolarHBondContact O-NE 3.17Å; S294-R360 PolarHBondContact O-NH1 3.25Å
295	A	96.9	Very high	97.8	Very high	62 Å²	62	17.6 Å²	17.6	51%	0.512	10%	0.102	S	C	.	.	H	α-helix	trans	-63.9	-41	174	0	0	0	0	0	111.5	D291 M292 S293 T358	D291-A295 PolarHBondContact O-N 2.66Å; M292-A295 PolarHBondContact O-N 2.87Å; S293-A295 VanDerWaalsContact C-N 3.35Å; S293-A295 PolarHBondContact O-N 2.78Å; A295-T358 HydrophobicContact CB-CG2 3.98Å
296	N	96.4	Very high	97.7	Very high	71 Å²	71	18.2 Å²	18.2	38%	0.38	11%	0.105	S	C	.	.	H	α-helix	trans	-78.6	-27.4	-175.2	-77.4	-69.5	0	0	0	115.3	M292 S293 S294 N491	M292-N296 PolarHBondContact O-N 3.31Å; M292-N296 VanDerWaalsContact O-N 3.08Å; M292-N296 PolarHBondContact O-ND2 2.84Å; M292-N296 PolarHBondContact SD-ND2 3.26Å; S293-N296 PolarHBondContact O-N 2.78Å; S294-N296 VanDerWaalsContact C-N 3.34Å; N296-N491 HydrophobicContact CB-CB 4.41Å
297	G	95.8	Very high	97.6	Very high	15 Å²	15	20 Å²	20	16%	0.155	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	168.5	-26.2	-176.4	0	0	0	0	0	116.5	S293 R360 K397	S293-G297 PolarHBondContact O-N 3.46Å; G297-R360 PolarHBondContact O-NH2 2.98Å; G297-K397 CarbonylContact C-O 3.53Å
298	V	98.1	Very high	97.6	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.006	11%	0.112	C	C	.	.			trans	-79.2	125.9	-162.7	178.1	0	0	0	0	113.1	S293 S294 Y300 V301 K397 K398 M400	S293-V298 WeakPolarHBondContact O-CB 3.35Å; S293-V298 PolarHBondContact O-N 3.19Å; S294-V298 WeakPolarHBondContact CA-O 3.49Å; V298-Y300 WeakPolarHBondContact CG1-O 3.33Å; V298-V301 HydrophobicContact CG1-CG2 3.84Å; V298-K397 PolarHBondContact N-O 3.48Å; V298-K398 CarbonylContact C-O 3.58Å; V298-K398 WeakPolarHBondContact CA-O 3.5Å; V298-K398 WeakPolarHBondContact CG1-O 3.35Å; V298-M400 HydrophobicContact CG1-CB 4.5Å; V298-M400 HydrophobicContact CG1-CG 3.93Å; V298-M400 HydrophobicContact CG1-SD 4.16Å; V298-M400 HydrophobicContact CG2-CG 4.47Å; V298-M400 HydrophobicContact CG2-SD 4.18Å
299	D	96.9	Very high	97.5	Very high	49 Å²	49	18.6 Å²	18.6	26%	0.262	11%	0.105	S	C	.	.	S	Bend	trans	-102.6	-19.6	173.3	-62.8	-45.9	0	0	0	112.4	R360 I362 T363 K398	D299-R360 IonicContact OD1-CZ 3.67Å; D299-R360 IonicContact OD1-NE 2.73Å; D299-R360 IonicContact OD1-NH2 2.79Å; D299-R360 PolarHBondContact OD1-NH2 3.4Å; D299-R360 IonicContact OD2-NH2 3.2Å; D299-I362 CarbonylContact O-C 3.55Å; D299-I362 WeakPolarHBondContact O-CA 3.49Å; D299-T363 PolarHBondContact O-N 3.06Å; D299-K398 PolarHBondContact N-O 2.87Å
300	Y	97.6	Very high	97.4	Very high	53 Å²	53	18.6 Å²	18.6	21%	0.208	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	129.9	-177.9	-64.1	-102.3	0	0	0	112.2	V298 T363 K398 V399 M400	V298-Y300 WeakPolarHBondContact CG1-O 3.33Å; Y300-T363 WeakPolarHBondContact CA-O 3.49Å; Y300-T363 VanDerWaalsContact CD1-CB 3.43Å; Y300-T363 HydrophobicContact CD1-CG2 3.64Å; Y300-T363 HydrophobicContact CE1-CG2 3.89Å; Y300-K398 PolarHBondContact N-O 3.21Å; Y300-V399 HydrophobicContact CD2-CG2 4.04Å; Y300-V399 HydrophobicContact CG-CG2 4.25Å; Y300-V399 WeakPolarHBondContact O-CA 3.39Å; Y300-M400 PolarHBondContact O-N 3.4Å
301	V	98.3	Very high	97.3	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	113.5	173.4	-174.1	0	0	0	0	109.4	I290 V298 M303 I362 T363 L364 S365 M400 I402	I290-V301 HydrophobicContact CG1-CG1 4.43Å; I290-V301 HydrophobicContact CG1-CG2 4.47Å; V298-V301 HydrophobicContact CG1-CG2 3.84Å; V301-M303 HydrophobicContact CB-CE 4.39Å; V301-M303 HydrophobicContact CG1-CE 4.07Å; V301-M303 HydrophobicContact CG1-CG 4.2Å; V301-M303 HydrophobicContact CG1-SD 4.39Å; V301-I362 HydrophobicContact CG2-CD1 4.01Å; V301-T363 PolarHBondContact N-O 2.67Å; V301-L364 HydrophobicContact CB-CD2 3.8Å; V301-L364 HydrophobicContact CG2-CD2 4.15Å; V301-L364 WeakPolarHBondContact O-CA 3.48Å; V301-S365 PolarHBondContact O-N 2.79Å; V301-M400 WeakPolarHBondContact CA-O 3.35Å; V301-M400 HydrophobicContact CB-CG 4.4Å; V301-M400 HydrophobicContact CG1-CG 4.16Å; V301-M400 HydrophobicContact CG2-CG 4.01Å; V301-M400 HydrophobicContact CG2-SD 4.25Å; V301-I402 HydrophobicContact CG1-CB 4.46Å; V301-I402 HydrophobicContact CG1-CD1 3.56Å; V301-I402 HydrophobicContact CG1-CG1 3.75Å
302	I	98.3	Very high	97.3	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.005	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	135.6	174.4	-40.7	-56.9	0	0	0	108.3	S365 V367 V380 K383 T384 E387 M400 S401 I402	I302-S365 CarbonylContact C-O 3.51Å; I302-S365 WeakPolarHBondContact CA-O 3.26Å; I302-V367 HydrophobicContact CG2-CG2 4.16Å; I302-V380 HydrophobicContact CB-CG1 4.33Å; I302-V380 HydrophobicContact CG2-CG1 4.03Å; I302-K383 HydrophobicContact CG2-CB 4.38Å; I302-K383 HydrophobicContact CG2-CD 4.07Å; I302-K383 HydrophobicContact CG2-CG 4.12Å; I302-T384 WeakPolarHBondContact CB-OG1 3.43Å; I302-E387 HydrophobicContact CD1-CG 4.22Å; I302-M400 PolarHBondContact N-O 3.2Å; I302-S401 CarbonylContact O-C 3.55Å; I302-S401 WeakPolarHBondContact O-CA 3.44Å; I302-I402 PolarHBondContact O-N 2.67Å
303	M	98.6	Very high	97.3	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.005	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	139.8	-172.4	-80.8	163.1	-76.3	0	0	112.9	I290 V301 I318 L364 S365 L366 V367 I402	I290-M303 HydrophobicContact CD1-SD 4.43Å; V301-M303 HydrophobicContact CB-CE 4.39Å; V301-M303 HydrophobicContact CG1-CE 4.07Å; V301-M303 HydrophobicContact CG1-CG 4.2Å; V301-M303 HydrophobicContact CG1-SD 4.39Å; M303-I318 HydrophobicContact CE-CD1 3.44Å; M303-I318 VanDerWaalsContact CE-CD1 3.44Å; M303-I318 HydrophobicContact SD-CD1 3.89Å; M303-L364 HydrophobicContact CE-CB 3.88Å; M303-L364 HydrophobicContact CE-CD2 3.97Å; M303-L364 HydrophobicContact CE-CG 4.36Å; M303-S365 PolarHBondContact N-O 2.67Å; M303-L366 HydrophobicContact CB-CD1 3.63Å; M303-V367 PolarHBondContact O-N 2.97Å; M303-I402 VanDerWaalsContact CA-O 3.3Å; M303-I402 WeakPolarHBondContact CA-O 3.34Å; M303-I402 HydrophobicContact CG-CB 4Å
304	G	98.3	Very high	97.2	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	142.3	164.1	0	0	0	0	0	110.2	I402 L404	G304-I402 PolarHBondContact N-O 3.4Å; G304-L404 WeakPolarHBondContact O-CD1 3.38Å; G304-L404 PolarHBondContact O-N 2.76Å
305	M	97.8	Very high	97.2	Very high	6 Å²	6	16.2 Å²	16.2	3%	0.03	9%	0.094	C	C	.	.			trans	-156.9	153.8	172.2	74.2	-178.3	-67.9	0	0	113	R308 R310 V313 L366 N369 L404	M305-R308 VanDerWaalsContact CE-O 3.23Å; M305-R308 WeakPolarHBondContact CE-O 3.27Å; M305-R310 VanDerWaalsContact CE-CA 3.46Å; M305-R310 HydrophobicContact CE-CB 3.89Å; M305-R310 HydrophobicContact CE-CG 4.32Å; M305-R310 HydrophobicContact CG-CB 4.45Å; M305-R310 HydrophobicContact CG-CG 4.02Å; M305-R310 PolarHBondContact O-NH1 3.06Å; M305-R310 HydrophobicContact SD-CB 4.01Å; M305-R310 HydrophobicContact SD-CG 3.75Å; M305-V313 HydrophobicContact CE-CB 4.23Å; M305-V313 HydrophobicContact CE-CG2 3.75Å; M305-V313 HydrophobicContact SD-CB 3.76Å; M305-V313 HydrophobicContact SD-CG1 3.81Å; M305-V313 HydrophobicContact SD-CG2 3.86Å; M305-L366 HydrophobicContact CG-CD1 4.06Å; M305-L366 HydrophobicContact SD-CD1 4.31Å; M305-L366 HydrophobicContact SD-CD2 4.47Å; M305-N369 PolarHBondContact O-OD1 3.2Å; M305-N369 VanDerWaalsContact O-OD1 3.13Å; M305-L404 HydrophobicContact CB-CB 3.63Å; M305-L404 HydrophobicContact CB-CD1 4.22Å; M305-L404 HydrophobicContact CB-CD2 3.97Å; M305-L404 HydrophobicContact CB-CG 4.17Å; M305-L404 HydrophobicContact CE-CD2 3.93Å; M305-L404 HydrophobicContact SD-CD2 4.21Å
306	P	96.7	Very high	97.1	Very high	12 Å²	12	13.5 Å²	13.5	8%	0.078	7%	0.071	C	C	.	.			trans	-74.8	-163.2	169.5	34.6	-40.3	0	0	0	111.7	L373 L404	P306-L373 HydrophobicContact CB-CD2 3.86Å; P306-L404 WeakPolarHBondContact CD-O 3.2Å
307	H	96.3	Very high	97.1	Very high	39 Å²	39	10.1 Å²	10.1	18%	0.181	5%	0.053	C	C	.	.	S	Bend	trans	-65.8	-35.4	-179.4	47.9	-96.6	0	0	0	114.5	F274 G309 R310 Y345 H509	F274-H307 HydrophobicContact CB-CB 3.89Å; F274-H307 HydrophobicContact CD1-CB 4.36Å; F274-H307 AromaticContact CD1-CD2 3.55Å; F274-H307 HydrophobicContact CD2-CB 3.83Å; F274-H307 HydrophobicContact CE2-CB 4.46Å; F274-H307 HydrophobicContact CG-CB 3.77Å; F274-H307 AromaticContact CG-CD2 3.73Å; F274-H307 AromaticContact CG-CG 3.92Å; H307-G309 PolarHBondContact O-N 3.28Å; H307-G309 VanDerWaalsContact O-N 3.11Å; H307-R310 PolarHBondContact O-N 3.23Å; H307-R310 VanDerWaalsContact O-N 3.09Å; H307-Y345 HydrophobicContact CB-CD2 4.5Å; H307-H509 AromaticContact CE1-CE1 3.99Å; H307-H509 AromaticContact NE2-CE1 3.62Å
308	R	97.6	Very high	97.1	Very high	18 Å²	18	9.4 Å²	9.4	7%	0.068	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	113	-165.6	-172.8	70.6	-172.3	-74.9	-4.5	111.8	F274 G275 E277 M305 R310 V438 N440 Y504	F274-R308 WeakPolarHBondContact O-CA 3.35Å; G275-R308 WeakPolarHBondContact O-CD 3.49Å; G275-R308 PolarHBondContact O-NE 2.96Å; E277-R308 PolarHBondContact O-NH2 3.01Å; M305-R308 VanDerWaalsContact CE-O 3.23Å; M305-R308 WeakPolarHBondContact CE-O 3.27Å; R308-R310 VanDerWaalsContact C-N 3.26Å; R308-R310 PolarHBondContact O-N 3.2Å; R308-V438 HydrophobicContact CG-CG1 4.03Å; R308-N440 PolarHBondContact NH1-OD1 2.99Å; R308-Y504 PolarHBondContact NH2-O 2.96Å
309	G	96.6	Very high	96.8	Very high	2 Å²	2	14.1 Å²	14.1	2%	0.021	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.3	11.4	-179.7	0	0	0	0	0	115.5	F274 H307 L311 N312 V313	F274-G309 PolarHBondContact O-N 3.13Å; H307-G309 PolarHBondContact O-N 3.28Å; H307-G309 VanDerWaalsContact O-N 3.11Å; G309-L311 VanDerWaalsContact C-N 3.33Å; G309-L311 PolarHBondContact O-N 3.46Å; G309-N312 WeakPolarHBondContact O-CA 3.47Å; G309-N312 VanDerWaalsContact O-CB 3.29Å; G309-N312 WeakPolarHBondContact O-CB 3.45Å; G309-N312 PolarHBondContact O-N 2.95Å; G309-V313 PolarHBondContact O-N 3.05Å
310	R	97.2	Very high	96.6	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-57.7	-41.7	-172.9	-169.9	-171.9	-173.4	95.2	-9	113.5	M305 H307 R308 N312 V313 L314 Y345 H346 L347 L366 V367 N369	M305-R310 VanDerWaalsContact CE-CA 3.46Å; M305-R310 HydrophobicContact CE-CB 3.89Å; M305-R310 HydrophobicContact CE-CG 4.32Å; M305-R310 HydrophobicContact CG-CB 4.45Å; M305-R310 HydrophobicContact CG-CG 4.02Å; M305-R310 PolarHBondContact O-NH1 3.06Å; M305-R310 HydrophobicContact SD-CB 4.01Å; M305-R310 HydrophobicContact SD-CG 3.75Å; H307-R310 PolarHBondContact O-N 3.23Å; H307-R310 VanDerWaalsContact O-N 3.09Å; R308-R310 VanDerWaalsContact C-N 3.26Å; R308-R310 PolarHBondContact O-N 3.2Å; R310-N312 PolarHBondContact O-N 2.92Å; R310-V313 PolarHBondContact O-N 2.95Å; R310-L314 HydrophobicContact CG-CD1 4.13Å; R310-L314 WeakPolarHBondContact O-CB 3.05Å; R310-L314 WeakPolarHBondContact O-CG 3.45Å; R310-L314 PolarHBondContact O-N 2.87Å; R310-Y345 VanDerWaalsContact CD-C 3.43Å; R310-Y345 WeakPolarHBondContact CD-O 3.22Å; R310-H346 PolarHBondContact NH2-O 3.24Å; R310-L347 PolarHBondContact NE-O 3.21Å; R310-L347 PolarHBondContact NH2-O 3.01Å; R310-L366 HydrophobicContact CG-CD2 4.28Å; R310-V367 PolarHBondContact NH2-O 3.23Å; R310-N369 VanDerWaalsContact CZ-OD1 3.25Å; R310-N369 PolarHBondContact NH1-OD1 3.2Å; R310-N369 PolarHBondContact NH2-OD1 2.75Å
311	L	96.6	Very high	96.3	Very high	6 Å²	6	14.8 Å²	14.8	3%	0.031	7%	0.067	C	C	.	.	H	α-helix	trans	-62.7	-34	178.3	-56.9	-177	0	0	0	111.8	F260 L264 R273 G309 L314 A315 I325 F329 K344	F260-L311 HydrophobicContact CE1-CB 3.98Å; F260-L311 HydrophobicContact CZ-CB 4.18Å; L264-L311 HydrophobicContact CD1-CD1 4.2Å; R273-L311 HydrophobicContact CB-CD1 4.17Å; G309-L311 VanDerWaalsContact C-N 3.33Å; G309-L311 PolarHBondContact O-N 3.46Å; L311-L314 HydrophobicContact CD2-CD1 4.35Å; L311-A315 WeakPolarHBondContact O-CB 3.47Å; L311-A315 PolarHBondContact O-N 2.82Å; L311-I325 HydrophobicContact CB-CG2 4.47Å; L311-I325 HydrophobicContact CD2-CG2 4.34Å; L311-F329 HydrophobicContact CD1-CE2 3.98Å; L311-F329 HydrophobicContact CD1-CZ 3.57Å; L311-K344 HydrophobicContact CD1-CD 4.42Å; L311-K344 HydrophobicContact CD1-CG 4.49Å; L311-K344 HydrophobicContact CD2-CB 4.44Å; L311-K344 HydrophobicContact CD2-CG 4.47Å; L311-K344 WeakPolarHBondContact CD2-O 3.27Å
312	N	97.4	Very high	96.1	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-73.5	-39.7	177.2	-152.8	-29.1	0	0	0	111.1	S257 F260 E261 L276 I283 G309 R310 A315 N316	S257-N312 PolarHBondContact O-ND2 2.95Å; F260-N312 HydrophobicContact CD1-CB 3.76Å; F260-N312 HydrophobicContact CE1-CB 3.97Å; E261-N312 WeakPolarHBondContact OE1-CB 3.47Å; E261-N312 PolarHBondContact OE1-ND2 2.9Å; L276-N312 HydrophobicContact CD2-CB 4.4Å; I283-N312 HydrophobicContact CD1-CB 4.07Å; G309-N312 WeakPolarHBondContact O-CA 3.47Å; G309-N312 VanDerWaalsContact O-CB 3.29Å; G309-N312 WeakPolarHBondContact O-CB 3.45Å; G309-N312 PolarHBondContact O-N 2.95Å; R310-N312 PolarHBondContact O-N 2.92Å; N312-A315 PolarHBondContact O-N 3.23Å; N312-N316 WeakPolarHBondContact O-CB 3.32Å; N312-N316 PolarHBondContact O-N 3.34Å; N312-N316 PolarHBondContact OD1-ND2 3.33Å
313	V	97.7	Very high	95.8	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.006	8%	0.079	C	C	.	.	I	π-helix	trans	-61.9	-46.4	171.2	175.4	0	0	0	0	110.7	L282 I283 L286 M305 G309 R310 A315 V317 I318	L282-V313 HydrophobicContact CD2-CG2 4.45Å; I283-V313 HydrophobicContact CD1-CG2 3.91Å; L286-V313 HydrophobicContact CD1-CG1 4.27Å; L286-V313 HydrophobicContact CD1-CG2 3.71Å; M305-V313 HydrophobicContact CE-CB 4.23Å; M305-V313 HydrophobicContact CE-CG2 3.75Å; M305-V313 HydrophobicContact SD-CB 3.76Å; M305-V313 HydrophobicContact SD-CG1 3.81Å; M305-V313 HydrophobicContact SD-CG2 3.86Å; G309-V313 PolarHBondContact O-N 3.05Å; R310-V313 PolarHBondContact O-N 2.95Å; V313-A315 PolarHBondContact O-N 2.89Å; V313-V317 HydrophobicContact CG1-CB 4.01Å; V313-V317 HydrophobicContact CG1-CG2 4.22Å; V313-V317 CarbonylContact O-C 3.47Å; V313-V317 VanDerWaalsContact O-CA 3.31Å; V313-V317 WeakPolarHBondContact O-CA 3.48Å; V313-V317 VanDerWaalsContact O-CB 3.26Å; V313-V317 WeakPolarHBondContact O-CB 3.28Å; V313-V317 PolarHBondContact O-N 3.45Å; V313-I318 HydrophobicContact CG1-CD1 4.42Å; V313-I318 HydrophobicContact CG1-CG1 4.34Å; V313-I318 PolarHBondContact O-N 2.87Å
314	L	95.9	Very high	95.3	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.085	C	C	.	.	I	π-helix	trans	-55.4	-51.9	174	-79.3	160.8	0	0	0	112	R310 L311 I318 R319 K320 I325 M349 L366 W580	R310-L314 HydrophobicContact CG-CD1 4.13Å; R310-L314 WeakPolarHBondContact O-CB 3.05Å; R310-L314 WeakPolarHBondContact O-CG 3.45Å; R310-L314 PolarHBondContact O-N 2.87Å; L311-L314 HydrophobicContact CD2-CD1 4.35Å; L314-I318 CarbonylContact O-C 3.14Å; L314-R319 PolarHBondContact O-N 3.42Å; L314-K320 HydrophobicContact CB-CB 4.2Å; L314-K320 HydrophobicContact CD2-CB 4.36Å; L314-K320 PolarHBondContact O-N 2.97Å; L314-I325 HydrophobicContact CB-CD1 4.21Å; L314-M349 HydrophobicContact CD2-CB 4Å; L314-L366 HydrophobicContact CD2-CD2 3.85Å; L314-L366 HydrophobicContact CG-CD2 3.96Å; L314-W580 HydrophobicContact CD1-CZ3 4.17Å; L314-W580 HydrophobicContact CD2-CZ3 4.43Å
315	A	95.9	Very high	95	Very high	4 Å²	4	18.6 Å²	18.6	3%	0.033	9%	0.085	C	C	.	.	I	π-helix	trans	-66.6	-51	-179.6	0	0	0	0	0	113.7	F260 L311 N312 V313 L322 I325	F260-A315 HydrophobicContact CD2-CB 4.14Å; F260-A315 HydrophobicContact CE2-CB 3.66Å; F260-A315 HydrophobicContact CZ-CB 3.92Å; L311-A315 WeakPolarHBondContact O-CB 3.47Å; L311-A315 PolarHBondContact O-N 2.82Å; N312-A315 PolarHBondContact O-N 3.23Å; V313-A315 PolarHBondContact O-N 2.89Å; A315-L322 HydrophobicContact CB-CD2 3.68Å; A315-I325 HydrophobicContact CB-CD1 3.76Å
316	N	96.5	Very high	94.7	Very high	5 Å²	5	18.4 Å²	18.4	3%	0.027	8%	0.084	C	C	.	.	I	π-helix	trans	-101.8	-22.1	-165	-72.8	-48.9	0	0	0	114.7	R256 I283 N312 R319 Y558	R256-N316 PolarHBondContact O-ND2 3.25Å; I283-N316 HydrophobicContact CD1-CB 4.49Å; I283-N316 HydrophobicContact CG2-CB 3.67Å; N312-N316 WeakPolarHBondContact O-CB 3.32Å; N312-N316 PolarHBondContact O-N 3.34Å; N312-N316 PolarHBondContact OD1-ND2 3.33Å; N316-R319 PolarHBondContact O-NH1 2.97Å; N316-Y558 PolarHBondContact ND2-OH 2.77Å; N316-Y558 PolarHBondContact OD1-OH 3.17Å
317	V	96.3	Very high	94.3	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	8%	0.083	C	C	.	.	I	π-helix	trans	-102.5	-52.9	174.9	-172.5	0	0	0	0	111.3	I283 L286 K287 I290 V313 R353 L364	I283-V317 HydrophobicContact CD1-CG2 3.87Å; I283-V317 HydrophobicContact CG2-CG2 4.26Å; L286-V317 HydrophobicContact CB-CG1 4.29Å; L286-V317 HydrophobicContact CB-CG2 4.17Å; L286-V317 HydrophobicContact CD1-CG2 4.06Å; K287-V317 HydrophobicContact CG-CG1 4.49Å; K287-V317 HydrophobicContact CG-CG2 4.35Å; I290-V317 HydrophobicContact CD1-CG1 3.54Å; V313-V317 HydrophobicContact CG1-CB 4.01Å; V313-V317 HydrophobicContact CG1-CG2 4.22Å; V313-V317 CarbonylContact O-C 3.47Å; V313-V317 VanDerWaalsContact O-CA 3.31Å; V313-V317 WeakPolarHBondContact O-CA 3.48Å; V313-V317 VanDerWaalsContact O-CB 3.26Å; V313-V317 WeakPolarHBondContact O-CB 3.28Å; V313-V317 PolarHBondContact O-N 3.45Å; V317-R353 VanDerWaalsContact O-CZ 3.28Å; V317-R353 PolarHBondContact O-NH1 3.33Å; V317-R353 PolarHBondContact O-NH2 3.03Å; V317-L364 WeakPolarHBondContact O-CD1 3.48Å
318	I	94.6	Very high	93.9	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.08	C	C	.	.	I	π-helix	trans	-79.8	-31	-177.2	-42.5	-59.6	0	0	0	112.5	M303 V313 L314 M349 H351 R353 L364 L366	M303-I318 HydrophobicContact CE-CD1 3.44Å; M303-I318 VanDerWaalsContact CE-CD1 3.44Å; M303-I318 HydrophobicContact SD-CD1 3.89Å; V313-I318 HydrophobicContact CG1-CD1 4.42Å; V313-I318 HydrophobicContact CG1-CG1 4.34Å; V313-I318 PolarHBondContact O-N 2.87Å; L314-I318 CarbonylContact O-C 3.14Å; I318-M349 HydrophobicContact CB-SD 4.24Å; I318-M349 HydrophobicContact CG2-CB 4.22Å; I318-M349 HydrophobicContact CG2-CG 4.17Å; I318-M349 HydrophobicContact CG2-SD 3.5Å; I318-M349 WeakPolarHBondContact CG2-SD 3.44Å; I318-H351 HydrophobicContact CG2-CB 4.13Å; I318-H351 PolarHBondContact O-CD2 2.83Å; I318-R353 PolarHBondContact O-NH1 2.89Å; I318-L364 HydrophobicContact CD1-CB 4.3Å; I318-L364 HydrophobicContact CD1-CD1 4.37Å; I318-L364 HydrophobicContact CG2-CB 4.31Å; I318-L366 HydrophobicContact CD1-CB 4.34Å; I318-L366 HydrophobicContact CG1-CB 4.43Å
319	R	92.6	Very high	93.4	Very high	100 Å²	100	17.4 Å²	17.4	38%	0.377	8%	0.08	S	C	.	.			trans	68.4	47.1	-171.6	-65.2	-79.9	-163.4	-107.2	-4.4	113.6	L314 N316 R353	L314-R319 PolarHBondContact O-N 3.42Å; N316-R319 PolarHBondContact O-NH1 2.97Å; R319-R353 VanDerWaalsContact CG-NH1 3.28Å
320	K	92.3	Very high	92.7	Very high	6 Å²	6	21.1 Å²	21.1	3%	0.026	10%	0.099	C	C	.	.			trans	-61.7	141.5	156.5	-174.8	61.2	167.9	173	0	109.1	L314 L322 Q324 I325 M349 H579 W580	L314-K320 HydrophobicContact CB-CB 4.2Å; L314-K320 HydrophobicContact CD2-CB 4.36Å; L314-K320 PolarHBondContact O-N 2.97Å; K320-L322 PolarHBondContact O-N 3.27Å; K320-Q324 VanDerWaalsContact CE-OE1 3.25Å; K320-I325 HydrophobicContact CB-CD1 4.13Å; K320-I325 HydrophobicContact CB-CG1 4.29Å; K320-I325 HydrophobicContact CG-CD1 4.21Å; K320-I325 HydrophobicContact CG-CG1 3.8Å; K320-M349 HydrophobicContact CB-CE 4.18Å; K320-M349 HydrophobicContact CB-SD 3.57Å; K320-M349 VanDerWaalsContact CB-SD 3.57Å; K320-M349 HydrophobicContact CD-CE 3.84Å; K320-M349 HydrophobicContact CD-SD 3.81Å; K320-M349 HydrophobicContact CG-SD 4.22Å; K320-H579 PolarHBondContact NZ-O 3.19Å; K320-W580 HydrophobicContact CD-CE3 4.35Å; K320-W580 HydrophobicContact CD-CH2 4.24Å; K320-W580 HydrophobicContact CD-CZ3 4.07Å; K320-W580 VanDerWaalsContact CE-CE2 3.48Å; K320-W580 VanDerWaalsContact CE-CZ3 3.43Å; K320-W580 HydrophobicContact CG-CH2 3.96Å; K320-W580 HydrophobicContact CG-CZ3 3.88Å
321	E	91.8	Very high	91.6	Very high	110 Å²	110	26.8 Å²	26.8	51%	0.514	14%	0.139	S	C	.	.			trans	-62.4	132.2	177.8	-65.1	173.8	150.1	0	0	110	E323 Q324 I325	E321-E323 VanDerWaalsContact C-N 3.33Å; E321-E323 HydrophobicContact CB-CG 4.15Å; E321-E323 PolarHBondContact O-N 2.96Å; E321-Q324 HydrophobicContact CB-CB 4.38Å; E321-Q324 HydrophobicContact CB-CG 4.23Å; E321-Q324 PolarHBondContact O-N 3.18Å; E321-Q324 PolarHBondContact OE2-NE2 2.86Å; E321-Q324 PolarHBondContact OE2-OE1 2.89Å; E321-I325 PolarHBondContact O-N 2.93Å
322	L	93.7	Very high	90.6	Very high	21 Å²	21	34.3 Å²	34.3	11%	0.11	17%	0.171	C	C	.	.	H	α-helix	trans	-67.1	-39.2	-170.8	-75	177.8	0	0	0	111	F260 A315 K320 Q324 I325 F326 I561 A565	F260-L322 HydrophobicContact CD2-CD2 4.26Å; F260-L322 HydrophobicContact CE2-CD2 3.77Å; A315-L322 HydrophobicContact CB-CD2 3.68Å; K320-L322 PolarHBondContact O-N 3.27Å; L322-Q324 VanDerWaalsContact C-N 3.28Å; L322-Q324 PolarHBondContact O-N 2.98Å; L322-I325 PolarHBondContact O-N 2.98Å; L322-I325 VanDerWaalsContact O-N 3.1Å; L322-F326 HydrophobicContact CB-CD2 4.36Å; L322-F326 HydrophobicContact CB-CE2 3.97Å; L322-F326 HydrophobicContact CB-CZ 4.27Å; L322-F326 HydrophobicContact CD2-CZ 4.28Å; L322-F326 WeakPolarHBondContact O-CB 3.43Å; L322-F326 WeakPolarHBondContact O-CD2 3.46Å; L322-F326 WeakPolarHBondContact O-CG 3.3Å; L322-F326 PolarHBondContact O-N 2.9Å; L322-I561 HydrophobicContact CD1-CG2 3.68Å; L322-A565 HydrophobicContact CB-CB 3.46Å; L322-A565 VanDerWaalsContact CB-CB 3.46Å; L322-A565 HydrophobicContact CD1-CB 4.14Å; L322-A565 HydrophobicContact CG-CB 4.46Å
323	E	91.5	Very high	89.5	Confident	33 Å²	33	36.1 Å²	36.1	15%	0.154	18%	0.181	C	C	.	.	H	α-helix	trans	-54.5	-42.6	173.1	43	-90.3	-93	0	0	112.3	E321 F326 C327 R568 S569	E321-E323 VanDerWaalsContact C-N 3.33Å; E321-E323 HydrophobicContact CB-CG 4.15Å; E321-E323 PolarHBondContact O-N 2.96Å; E323-F326 PolarHBondContact O-N 2.73Å; E323-C327 PolarHBondContact O-N 2.75Å; E323-R568 HydrophobicContact CB-CB 4.32Å; E323-R568 IonicContact OE1-CZ 2.66Å; E323-R568 IonicContact OE1-NE 3.21Å; E323-R568 PolarHBondContact OE1-NE 3.09Å; E323-R568 IonicContact OE1-NH2 3.52Å; E323-R568 PolarHBondContact OE1-NH2 3.19Å; E323-R568 IonicContact OE2-NH2 2.88Å; E323-S569 VanDerWaalsContact O-CB 3.31Å; E323-S569 WeakPolarHBondContact O-CB 3.21Å
324	Q	88.8	Confident	88.3	Confident	27 Å²	27	42.8 Å²	42.8	13%	0.126	21%	0.212	C	C	.	.	H	α-helix	trans	-73.4	-25.9	177.6	-67.6	177.9	0.7	0	0	112.9	K320 E321 L322 C327 Q328 W580	K320-Q324 VanDerWaalsContact CE-OE1 3.25Å; E321-Q324 HydrophobicContact CB-CB 4.38Å; E321-Q324 HydrophobicContact CB-CG 4.23Å; E321-Q324 PolarHBondContact O-N 3.18Å; E321-Q324 PolarHBondContact OE2-NE2 2.86Å; E321-Q324 PolarHBondContact OE2-OE1 2.89Å; L322-Q324 VanDerWaalsContact C-N 3.28Å; L322-Q324 PolarHBondContact O-N 2.98Å; Q324-C327 PolarHBondContact O-SG 3.45Å; Q324-Q328 WeakPolarHBondContact O-CG 3.46Å; Q324-W580 WeakPolarHBondContact O-CZ2 3.26Å
325	I	91	Very high	86.8	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-73.3	-42.8	168.6	-61.1	172.3	0	0	0	110.1	F260 L311 L314 A315 K320 E321 L322 Q328 F329 W580	F260-I325 HydrophobicContact CZ-CG2 4.49Å; L311-I325 HydrophobicContact CB-CG2 4.47Å; L311-I325 HydrophobicContact CD2-CG2 4.34Å; L314-I325 HydrophobicContact CB-CD1 4.21Å; A315-I325 HydrophobicContact CB-CD1 3.76Å; K320-I325 HydrophobicContact CB-CD1 4.13Å; K320-I325 HydrophobicContact CB-CG1 4.29Å; K320-I325 HydrophobicContact CG-CD1 4.21Å; K320-I325 HydrophobicContact CG-CG1 3.8Å; E321-I325 PolarHBondContact O-N 2.93Å; L322-I325 PolarHBondContact O-N 2.98Å; L322-I325 VanDerWaalsContact O-N 3.1Å; I325-Q328 VanDerWaalsContact O-CB 3.31Å; I325-Q328 WeakPolarHBondContact O-CB 3.34Å; I325-Q328 PolarHBondContact O-N 2.82Å; I325-F329 HydrophobicContact CG2-CE2 4.43Å; I325-F329 WeakPolarHBondContact O-CD2 3.49Å; I325-W580 HydrophobicContact CG1-CH2 4.21Å
326	F	92.8	Very high	85.2	Confident	2 Å²	2	48.9 Å²	48.9	1%	0.009	26%	0.262	C	S	.	.	H	α-helix	trans	-72.5	-32.3	-173.4	-67.4	-18.6	0	0	0	113.3	F260 F263 L264 W268 L322 E323 Q328 F329 C562 A565 F566	F260-F326 HydrophobicContact CE2-CE1 4.01Å; F260-F326 HydrophobicContact CE2-CZ 4.41Å; F263-F326 HydrophobicContact CD1-CE1 4.2Å; F263-F326 HydrophobicContact CD1-CE2 4.42Å; F263-F326 AromaticContact CD1-CZ 3.79Å; F263-F326 HydrophobicContact CD1-CZ 3.79Å; F263-F326 HydrophobicContact CE1-CD2 4.46Å; F263-F326 HydrophobicContact CE1-CE1 4.15Å; F263-F326 AromaticContact CE1-CE2 3.74Å; F263-F326 HydrophobicContact CE1-CE2 3.74Å; F263-F326 AromaticContact CE1-CZ 3.56Å; F263-F326 HydrophobicContact CE1-CZ 3.56Å; F263-F326 HydrophobicContact CZ-CE2 4.38Å; L264-F326 HydrophobicContact CD2-CD1 4.11Å; L264-F326 HydrophobicContact CD2-CE1 3.77Å; W268-F326 HydrophobicContact CH2-CB 3.7Å; W268-F326 AromaticContact CH2-CD1 3.72Å; W268-F326 HydrophobicContact CH2-CD1 3.72Å; W268-F326 HydrophobicContact CH2-CD2 4.46Å; W268-F326 HydrophobicContact CH2-CE1 4.49Å; W268-F326 AromaticContact CH2-CG 3.71Å; W268-F326 HydrophobicContact CH2-CG 3.71Å; W268-F326 HydrophobicContact CZ2-CB 4.32Å; W268-F326 AromaticContact CZ3-CD1 3.79Å; W268-F326 HydrophobicContact CZ3-CD1 3.79Å; W268-F326 HydrophobicContact CZ3-CE1 4.23Å; W268-F326 HydrophobicContact CZ3-CG 4.25Å; L322-F326 HydrophobicContact CB-CD2 4.36Å; L322-F326 HydrophobicContact CB-CE2 3.97Å; L322-F326 HydrophobicContact CB-CZ 4.27Å; L322-F326 HydrophobicContact CD2-CZ 4.28Å; L322-F326 WeakPolarHBondContact O-CB 3.43Å; L322-F326 WeakPolarHBondContact O-CD2 3.46Å; L322-F326 WeakPolarHBondContact O-CG 3.3Å; L322-F326 PolarHBondContact O-N 2.9Å; E323-F326 PolarHBondContact O-N 2.73Å; F326-Q328 PolarHBondContact O-N 2.85Å; F326-F329 PolarHBondContact O-N 2.95Å; F326-F329 VanDerWaalsContact O-N 3.12Å; F326-C562 HydrophobicContact CZ-CB 4.48Å; F326-A565 HydrophobicContact CD2-CB 4.16Å; F326-A565 HydrophobicContact CE2-CB 3.92Å; F326-F566 HydrophobicContact CD2-CB 3.97Å; F326-F566 HydrophobicContact CE2-CB 4.19Å
327	C	88.1	Confident	83.7	Confident	8 Å²	8	49.8 Å²	49.8	5%	0.054	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-63.7	-25.7	174.3	72.4	0	0	0	0	112.5	E323 Q324 F329 D330 L333 E572	E323-C327 PolarHBondContact O-N 2.75Å; Q324-C327 PolarHBondContact O-SG 3.45Å; C327-F329 PolarHBondContact O-N 3.43Å; C327-D330 PolarHBondContact O-N 3.42Å; C327-L333 HydrophobicContact CB-CD1 4.01Å; C327-E572 HydrophobicContact CB-CB 4.06Å
328	Q	86.7	Confident	82	Confident	24 Å²	24	56.3 Å²	56.3	11%	0.112	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-64.2	-3	173.8	-52.1	-61.1	-74.5	0	0	114.1	Q324 I325 F326 K344 L575 W580	Q324-Q328 WeakPolarHBondContact O-CG 3.46Å; I325-Q328 VanDerWaalsContact O-CB 3.31Å; I325-Q328 WeakPolarHBondContact O-CB 3.34Å; I325-Q328 PolarHBondContact O-N 2.82Å; F326-Q328 PolarHBondContact O-N 2.85Å; Q328-K344 HydrophobicContact CB-CB 3.93Å; Q328-K344 HydrophobicContact CG-CB 4.44Å; Q328-K344 WeakPolarHBondContact O-CE 3.13Å; Q328-K344 PolarHBondContact O-NZ 2.73Å; Q328-L575 VanDerWaalsContact NE2-CD1 3.29Å; Q328-W580 HydrophobicContact CG-CH2 4.43Å; Q328-W580 HydrophobicContact CG-CZ2 3.99Å
329	F	87.9	Confident	80.7	Confident	16 Å²	16	58.6 Å²	58.6	7%	0.07	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-107.7	1.3	174.6	-65.4	-101.7	0	0	0	113.5	L264 W268 E271 R273 L311 I325 F326 C327 K344	L264-F329 HydrophobicContact CD1-CZ 4.41Å; L264-F329 HydrophobicContact CD2-CE2 4.27Å; L264-F329 HydrophobicContact CD2-CZ 4.19Å; W268-F329 HydrophobicContact CB-CD1 3.94Å; W268-F329 HydrophobicContact CB-CE1 4.46Å; W268-F329 HydrophobicContact CD2-CB 3.69Å; W268-F329 AromaticContact CD2-CD1 3.88Å; W268-F329 HydrophobicContact CD2-CD1 3.88Å; W268-F329 HydrophobicContact CD2-CD2 4.49Å; W268-F329 AromaticContact CD2-CG 3.81Å; W268-F329 HydrophobicContact CD2-CG 3.81Å; W268-F329 AromaticContact CE2-CG 3.99Å; W268-F329 HydrophobicContact CE3-CB 4.41Å; W268-F329 HydrophobicContact CE3-CD1 4.18Å; W268-F329 HydrophobicContact CE3-CD2 4.4Å; W268-F329 HydrophobicContact CE3-CG 4.11Å; W268-F329 HydrophobicContact CG-CB 3.87Å; W268-F329 AromaticContact CG-CD1 3.78Å; W268-F329 HydrophobicContact CG-CD1 3.78Å; W268-F329 HydrophobicContact CG-CG 4.08Å; W268-F329 HydrophobicContact CZ2-CB 3.89Å; W268-F329 HydrophobicContact CZ2-CG 4.45Å; W268-F329 VanDerWaalsContact NE1-CB 3.33Å; E271-F329 HydrophobicContact CB-CD1 3.85Å; E271-F329 HydrophobicContact CB-CE1 4Å; E271-F329 HydrophobicContact CG-CD1 3.94Å; R273-F329 HydrophobicContact CB-CZ 4.49Å; L311-F329 HydrophobicContact CD1-CE2 3.98Å; L311-F329 HydrophobicContact CD1-CZ 3.57Å; I325-F329 HydrophobicContact CG2-CE2 4.43Å; I325-F329 WeakPolarHBondContact O-CD2 3.49Å; F326-F329 PolarHBondContact O-N 2.95Å; F326-F329 VanDerWaalsContact O-N 3.12Å; C327-F329 PolarHBondContact O-N 3.43Å; F329-K344 HydrophobicContact CD1-CD 4.36Å; F329-K344 VanDerWaalsContact CD1-NZ 3.25Å; F329-K344 HydrophobicContact CD2-CD 4.43Å; F329-K344 HydrophobicContact CE1-CD 3.93Å; F329-K344 HydrophobicContact CE2-CD 4.01Å; F329-K344 HydrophobicContact CZ-CD 3.75Å
330	D	82.4	Confident	79.8	Confident	80 Å²	80	58.3 Å²	58.3	43%	0.428	33%	0.334	S	S	.	.			trans	-89.5	120.8	166	-160.4	-31.4	0	0	0	110.8	C327 K332 L333	C327-D330 PolarHBondContact O-N 3.42Å; D330-K332 PolarHBondContact O-N 3.13Å; D330-K332 WeakPolarHBondContact OD1-CB 3.4Å; D330-K332 WeakPolarHBondContact OD1-CG 3.46Å; D330-K332 PolarHBondContact OD1-N 2.89Å; D330-L333 PolarHBondContact O-N 3.02Å
331	S	74.3	Confident	79.3	Confident	119 Å²	119	58.7 Å²	58.7	83%	0.832	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-12.2	169.7	53.8	0	0	0	0	116.1
332	K	74.8	Confident	79	Confident	163 Å²	163	55.3 Å²	55.3	71%	0.709	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.4	7.5	-175	-58.2	171.8	-174.5	169.9	0	113.7	D330 E334	D330-K332 PolarHBondContact O-N 3.13Å; D330-K332 WeakPolarHBondContact OD1-CB 3.4Å; D330-K332 WeakPolarHBondContact OD1-CG 3.46Å; D330-K332 PolarHBondContact OD1-N 2.89Å; K332-E334 PolarHBondContact O-N 2.93Å
333	L	74.1	Confident	78.6	Confident	39 Å²	39	59.3 Å²	59.3	20%	0.204	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-67.8	116.7	-178.5	-164.9	72.2	0	0	0	110.1	C327 D330 E572 L575	C327-L333 HydrophobicContact CB-CD1 4.01Å; D330-L333 PolarHBondContact O-N 3.02Å; L333-E572 WeakPolarHBondContact CD1-O 3.33Å; L333-L575 HydrophobicContact CD2-CB 3.77Å; L333-L575 HydrophobicContact CD2-CD1 4.48Å; L333-L575 HydrophobicContact CD2-CD2 4.03Å; L333-L575 HydrophobicContact CD2-CG 4.3Å; L333-L575 HydrophobicContact CG-CB 4.01Å
334	E	72.4	Confident	78.4	Confident	140 Å²	140	58.9 Å²	58.9	65%	0.654	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.1	142.4	178.4	-67.8	176.3	178.8	0	0	109.8	K332 K573 I574 L575	K332-E334 PolarHBondContact O-N 2.93Å; E334-K573 PolarHBondContact N-O 3.43Å; E334-I574 CarbonylContact O-C 3.57Å; E334-I574 WeakPolarHBondContact O-CA 2.96Å; E334-L575 PolarHBondContact O-N 3.37Å
335	A	65.5	Low	78.3	Confident	76 Å²	76	59.1 Å²	59.1	63%	0.628	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.8	133.2	175.9	0	0	0	0	0	110.6
336	A	60.4	Low	78.4	Confident	56 Å²	56	59.5 Å²	59.5	46%	0.463	34%	0.344	S	S	.	.			trans	-102.2	-25.7	172.2	0	0	0	0	0	114.2	I574 L575 H576	A336-I574 HydrophobicContact CB-CG2 3.24Å; A336-L575 PolarHBondContact N-O 3.45Å; A336-L575 VanDerWaalsContact N-O 3.08Å; A336-H576 VanDerWaalsContact CB-CE1 3.47Å; A336-H576 WeakPolarHBondContact CB-CE1 2.99Å
337	D	65.5	Low	78.1	Confident	24 Å²	24	59.7 Å²	59.7	13%	0.128	35%	0.345	C	S	.	.	S	Bend	trans	-95.9	149.7	179.1	-57.5	-16.3	0	0	0	110.1	H576 I577 K578	D337-H576 IonicContact OD1-CE1 3.6Å; D337-H576 IonicContact OD1-CG 3.88Å; D337-H576 IonicContact OD1-ND1 2.76Å; D337-H576 PolarHBondContact OD1-ND1 3.42Å; D337-H576 WeakPolarHBondContact OD2-CA 3.45Å; D337-H576 IonicContact OD2-ND1 3.62Å; D337-I577 HydrophobicContact CB-CB 4.33Å; D337-I577 HydrophobicContact CB-CG1 4.43Å; D337-I577 PolarHBondContact OD2-N 3.47Å; D337-K578 IonicContact OD1-NZ 2.74Å; D337-K578 VanDerWaalsContact OD2-CG 3.3Å; D337-K578 WeakPolarHBondContact OD2-CG 3.28Å; D337-K578 PolarHBondContact OD2-N 2.95Å
338	E	61.8	Low	78.2	Confident	138 Å²	138	59.3 Å²	59.3	65%	0.645	34%	0.343	S	S	*	.	S	Bend	trans	-64.4	143.4	177.1	-65.7	177.2	160.8	0	0	112.9
339	G	66.4	Low	78.4	Confident	48 Å²	48	59 Å²	59	50%	0.495	34%	0.342	S	S	.	.	S	Bend	trans	135.7	178.8	174.8	0	0	0	0	0	113.4	G341 A763	G339-G341 VanDerWaalsContact C-N 3.34Å; G339-A763 CarbonylContact C-O 3.48Å; G339-A763 WeakPolarHBondContact CA-O 3.08Å
340	S	73.4	Confident	78.6	Confident	93 Å²	93	61.4 Å²	61.4	65%	0.65	35%	0.351	S	S	*	.			trans	-80.5	-19.3	167.8	61.6	0	0	0	0	112.7	A763	S340-A763 PolarHBondContact N-O 2.98Å; S340-A763 PolarHBondContact OG-O 3.22Å
341	G	81.8	Confident	79	Confident	15 Å²	15	60.2 Å²	60.2	16%	0.155	34%	0.343	C	S	.	.			trans	62	-168.4	-159.6	0	0	0	0	0	112	G339 A763 K764	G339-G341 VanDerWaalsContact C-N 3.34Å; G341-A763 PolarHBondContact N-O 3.03Å; G341-K764 CarbonylContact C-O 3.6Å; G341-K764 VanDerWaalsContact C-O 3.24Å; G341-K764 WeakPolarHBondContact CA-O 3.42Å; G341-K764 WeakPolarHBondContact O-CA 3.31Å
342	D	85.4	Confident	79.9	Confident	39 Å²	39	61.9 Å²	61.9	21%	0.209	33%	0.331	C	S	.	.			trans	-150.8	167.9	173.8	-154.8	-15.1	0	0	0	110	H346 L347 K764 W765	D342-H346 HydrophobicContact CB-CB 4.31Å; D342-H346 VanDerWaalsContact CG-ND1 3.33Å; D342-H346 IonicContact OD1-CE1 2.73Å; D342-H346 IonicContact OD1-CG 2.69Å; D342-H346 IonicContact OD1-ND1 3.39Å; D342-H346 PolarHBondContact OD1-ND1 3.43Å; D342-H346 WeakPolarHBondContact OD2-CB 3.47Å; D342-H346 IonicContact OD2-CG 3.47Å; D342-H346 IonicContact OD2-ND1 3.74Å; D342-H346 PolarHBondContact OD2-ND1 3.29Å; D342-L347 HydrophobicContact CB-CD2 4.26Å; D342-K764 HydrophobicContact CB-CB 4.28Å; D342-K764 WeakPolarHBondContact OD2-CE 3.44Å; D342-K764 IonicContact OD2-NZ 3.67Å; D342-W765 PolarHBondContact OD2-NE1 2.81Å
343	M	86.1	Confident	80.7	Confident	104 Å²	104	56.1 Å²	56.1	51%	0.512	31%	0.305	S	S	.	.			trans	-63.8	146.1	-177.3	-58	-179.6	-178.7	0	0	111.8	Y345 H346	M343-Y345 HydrophobicContact CB-CD2 4.2Å; M343-Y345 HydrophobicContact CB-CE2 3.72Å; M343-Y345 HydrophobicContact CG-CE2 4.42Å; M343-Y345 PolarHBondContact O-N 3.24Å; M343-Y345 HydrophobicContact SD-CE2 3.88Å; M343-Y345 PolarHBondContact SD-OH 3.18Å; M343-H346 WeakPolarHBondContact O-CB 3.32Å; M343-H346 PolarHBondContact O-N 3.45Å
344	K	87.2	Confident	81.6	Confident	25 Å²	25	57.4 Å²	57.4	11%	0.109	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.2	-28	-176.5	67	-168.1	71.6	-178.8	0	115.6	E271 L311 Q328 F329	E271-K344 IonicContact OE2-NZ 3.8Å; E271-K344 PolarHBondContact OE2-NZ 3.11Å; L311-K344 HydrophobicContact CD1-CD 4.42Å; L311-K344 HydrophobicContact CD1-CG 4.49Å; L311-K344 HydrophobicContact CD2-CB 4.44Å; L311-K344 HydrophobicContact CD2-CG 4.47Å; L311-K344 WeakPolarHBondContact CD2-O 3.27Å; Q328-K344 HydrophobicContact CB-CB 3.93Å; Q328-K344 HydrophobicContact CG-CB 4.44Å; Q328-K344 WeakPolarHBondContact O-CE 3.13Å; Q328-K344 PolarHBondContact O-NZ 2.73Å; F329-K344 HydrophobicContact CD1-CD 4.36Å; F329-K344 VanDerWaalsContact CD1-NZ 3.25Å; F329-K344 HydrophobicContact CD2-CD 4.43Å; F329-K344 HydrophobicContact CE1-CD 3.93Å; F329-K344 HydrophobicContact CE2-CD 4.01Å; F329-K344 HydrophobicContact CZ-CD 3.75Å
345	Y	86.8	Confident	82.6	Confident	31 Å²	31	51 Å²	51	12%	0.122	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	15.7	178.4	43.9	-105.9	0	0	0	114.7	F274 H307 R310 M343	F274-Y345 AromaticContact CD2-CD1 3.85Å; F274-Y345 HydrophobicContact CD2-CD1 3.85Å; F274-Y345 HydrophobicContact CD2-CD2 4.31Å; F274-Y345 AromaticContact CD2-CE1 3.91Å; F274-Y345 HydrophobicContact CD2-CE1 3.91Å; F274-Y345 HydrophobicContact CD2-CE2 4.35Å; F274-Y345 HydrophobicContact CD2-CG 4.05Å; F274-Y345 HydrophobicContact CE2-CD1 4.15Å; F274-Y345 HydrophobicContact CE2-CD2 4.27Å; F274-Y345 AromaticContact CE2-CE1 3.77Å; F274-Y345 HydrophobicContact CE2-CE1 3.77Å; F274-Y345 AromaticContact CE2-CE2 3.88Å; F274-Y345 HydrophobicContact CE2-CE2 3.88Å; F274-Y345 HydrophobicContact CE2-CG 4.39Å; F274-Y345 AromaticContact CE2-CZ 3.61Å; H307-Y345 HydrophobicContact CB-CD2 4.5Å; R310-Y345 VanDerWaalsContact CD-C 3.43Å; R310-Y345 WeakPolarHBondContact CD-O 3.22Å; M343-Y345 HydrophobicContact CB-CD2 4.2Å; M343-Y345 HydrophobicContact CB-CE2 3.72Å; M343-Y345 HydrophobicContact CG-CE2 4.42Å; M343-Y345 PolarHBondContact O-N 3.24Å; M343-Y345 HydrophobicContact SD-CE2 3.88Å; M343-Y345 PolarHBondContact SD-OH 3.18Å
346	H	92.6	Very high	83.7	Confident	9 Å²	9	56.8 Å²	56.8	4%	0.042	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	-24.5	168	-64.9	153.3	0	0	0	112.7	R310 D342 M343 A368 N369 S371	R310-H346 PolarHBondContact NH2-O 3.24Å; D342-H346 HydrophobicContact CB-CB 4.31Å; D342-H346 VanDerWaalsContact CG-ND1 3.33Å; D342-H346 IonicContact OD1-CE1 2.73Å; D342-H346 IonicContact OD1-CG 2.69Å; D342-H346 IonicContact OD1-ND1 3.39Å; D342-H346 PolarHBondContact OD1-ND1 3.43Å; D342-H346 WeakPolarHBondContact OD2-CB 3.47Å; D342-H346 IonicContact OD2-CG 3.47Å; D342-H346 IonicContact OD2-ND1 3.74Å; D342-H346 PolarHBondContact OD2-ND1 3.29Å; M343-H346 WeakPolarHBondContact O-CB 3.32Å; M343-H346 PolarHBondContact O-N 3.45Å; H346-A368 VanDerWaalsContact O-CA 3.23Å; H346-A368 WeakPolarHBondContact O-CA 3.03Å; H346-A368 WeakPolarHBondContact O-CB 3.49Å; H346-N369 WeakPolarHBondContact CB-O 3.25Å; H346-N369 PolarHBondContact CD2-O 2.82Å; H346-N369 VanDerWaalsContact CG-O 3.29Å; H346-N369 PolarHBondContact O-N 2.7Å; H346-S371 PolarHBondContact CE1-OG 2.86Å; H346-S371 PolarHBondContact NE2-N 3.22Å; H346-S371 PolarHBondContact NE2-OG 2.76Å
347	L	87.4	Confident	85	Confident	6 Å²	6	58.4 Å²	58.4	3%	0.031	29%	0.291	C	S	.	.			trans	-58.4	143.6	-173.1	-56.8	179.9	0	0	0	113	R310 D342 W580	R310-L347 PolarHBondContact NE-O 3.21Å; R310-L347 PolarHBondContact NH2-O 3.01Å; D342-L347 HydrophobicContact CB-CD2 4.26Å; L347-W580 HydrophobicContact CB-CB 4.27Å; L347-W580 HydrophobicContact CB-CD2 3.94Å; L347-W580 HydrophobicContact CB-CE3 3.58Å; L347-W580 HydrophobicContact CB-CG 4.26Å; L347-W580 HydrophobicContact CB-CZ3 4.17Å; L347-W580 HydrophobicContact CD1-CD2 3.62Å; L347-W580 HydrophobicContact CD1-CE3 3.9Å; L347-W580 HydrophobicContact CD1-CG 4Å; L347-W580 HydrophobicContact CD1-CH2 4.29Å; L347-W580 HydrophobicContact CD1-CZ2 4.05Å; L347-W580 HydrophobicContact CD1-CZ3 4.23Å; L347-W580 HydrophobicContact CG-CD2 4.36Å; L347-W580 HydrophobicContact CG-CE3 4.39Å
348	G	89.6	Confident	86.2	Confident	1 Å²	1	59.1 Å²	59.1	1%	0.01	30%	0.296	C	S	.	.			trans	-94.8	-178.1	178.7	0	0	0	0	0	112.9	L366 W580	G348-L366 CarbonylContact C-O 3.11Å; G348-L366 WeakPolarHBondContact CA-O 3.31Å; G348-W580 CarbonylContact C-O 3.53Å; G348-W580 VanDerWaalsContact C-O 3.23Å; G348-W580 VanDerWaalsContact O-O 3.09Å
349	M	90.8	Very high	87.7	Confident	18 Å²	18	58 Å²	58	9%	0.089	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	139.4	168.9	-169.5	-173.6	-173.9	0	0	111.6	L314 I318 K320 H351 S365 L366 L581	L314-M349 HydrophobicContact CD2-CB 4Å; I318-M349 HydrophobicContact CB-SD 4.24Å; I318-M349 HydrophobicContact CG2-CB 4.22Å; I318-M349 HydrophobicContact CG2-CG 4.17Å; I318-M349 HydrophobicContact CG2-SD 3.5Å; I318-M349 WeakPolarHBondContact CG2-SD 3.44Å; K320-M349 HydrophobicContact CB-CE 4.18Å; K320-M349 HydrophobicContact CB-SD 3.57Å; K320-M349 VanDerWaalsContact CB-SD 3.57Å; K320-M349 HydrophobicContact CD-CE 3.84Å; K320-M349 HydrophobicContact CD-SD 3.81Å; K320-M349 HydrophobicContact CG-SD 4.22Å; M349-H351 HydrophobicContact CE-CB 3.87Å; M349-H351 HydrophobicContact SD-CB 4.28Å; M349-S365 CarbonylContact O-C 3.57Å; M349-S365 WeakPolarHBondContact O-CA 3.41Å; M349-L366 PolarHBondContact N-O 2.8Å; M349-L366 PolarHBondContact O-N 2.79Å; M349-L581 CarbonylContact C-O 3.55Å
350	Y	91.5	Very high	89	Confident	66 Å²	66	59.2 Å²	59.2	26%	0.259	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	130.7	161.7	-176.1	-89.8	0	0	0	110.4	T363 L581 D582 P584	Y350-T363 HydrophobicContact CD2-CG2 4.2Å; Y350-T363 HydrophobicContact CE1-CG2 4.33Å; Y350-T363 HydrophobicContact CE2-CG2 3.41Å; Y350-T363 VanDerWaalsContact CE2-CG2 3.41Å; Y350-T363 VanDerWaalsContact CZ-CG2 3.49Å; Y350-T363 WeakPolarHBondContact OH-CG2 3.42Å; Y350-L581 WeakPolarHBondContact CB-O 3.46Å; Y350-L581 PolarHBondContact N-O 3.02Å; Y350-D582 WeakPolarHBondContact CD2-O 3.3Å; Y350-P584 HydrophobicContact CD1-CG 3.84Å; Y350-P584 HydrophobicContact CD2-CG 4.43Å; Y350-P584 HydrophobicContact CE1-CG 4.25Å; Y350-P584 HydrophobicContact CG-CG 3.93Å
351	H	91.9	Very high	90	Very high	55 Å²	55	58.7 Å²	58.7	26%	0.255	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	123.7	177	-169.4	65.1	0	0	0	112.6	I318 M349 L364	I318-H351 HydrophobicContact CG2-CB 4.13Å; I318-H351 PolarHBondContact O-CD2 2.83Å; M349-H351 HydrophobicContact CE-CB 3.87Å; M349-H351 HydrophobicContact SD-CB 4.28Å; H351-L364 PolarHBondContact N-O 2.84Å; H351-L364 PolarHBondContact O-N 2.81Å
352	R	92.4	Very high	90.7	Very high	153 Å²	153	58 Å²	58	58%	0.577	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.7	127.9	173.6	-176.1	178.3	179.6	-171.9	1.9	110	I362	R352-I362 WeakPolarHBondContact CA-O 3.17Å
353	R	92.6	Very high	91.2	Very high	42 Å²	42	56.2 Å²	56.2	16%	0.158	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	172.6	-176.4	63.5	167.9	-165	-127.7	-0.4	112.2	V317 I318 R319 N361 I362	V317-R353 VanDerWaalsContact O-CZ 3.28Å; V317-R353 PolarHBondContact O-NH1 3.33Å; V317-R353 PolarHBondContact O-NH2 3.03Å; I318-R353 PolarHBondContact O-NH1 2.89Å; R319-R353 VanDerWaalsContact CG-NH1 3.28Å; R353-N361 CarbonylContact O-C 3.39Å; R353-N361 WeakPolarHBondContact O-CA 3.23Å; R353-I362 HydrophobicContact CG-CG2 4.34Å; R353-I362 PolarHBondContact N-O 3.5Å; R353-I362 PolarHBondContact O-N 2.98Å
354	I	92.9	Very high	91.7	Very high	66 Å²	66	51.3 Å²	51.3	34%	0.338	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	132.5	167.3	-59	172.5	0	0	0	109.9	D359 R360	I354-D359 WeakPolarHBondContact CG2-OD1 3.35Å; I354-R360 CarbonylContact C-O 3.24Å; I354-R360 WeakPolarHBondContact CA-O 3.41Å
355	N	92.5	Very high	92.1	Very high	5 Å²	5	50.1 Å²	50.1	3%	0.027	23%	0.228	C	C	.	.			trans	-81.4	115	163	-172.6	-9.5	0	0	0	109.6	D291 V357 T358 D359 R360 I362	D291-N355 PolarHBondContact OD1-ND2 3.25Å; D291-N355 PolarHBondContact OD1-OD1 3.09Å; N355-V357 PolarHBondContact O-N 3.27Å; N355-V357 VanDerWaalsContact O-N 3.16Å; N355-V357 PolarHBondContact OD1-N 3.01Å; N355-V357 VanDerWaalsContact OD1-N 3.14Å; N355-T358 PolarHBondContact O-N 2.79Å; N355-D359 VanDerWaalsContact O-CA 3.23Å; N355-D359 WeakPolarHBondContact O-CA 3.01Å; N355-D359 PolarHBondContact O-N 2.88Å; N355-R360 PolarHBondContact N-O 3.28Å; N355-I362 HydrophobicContact CB-CG2 4.03Å
356	R	88.5	Confident	92.6	Very high	198 Å²	198	48.6 Å²	48.6	75%	0.747	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-8.1	-176.8	-61.7	-57.9	-169.4	178	3.5	115.4	D359	R356-D359 IonicContact NH1-OD1 2.79Å
357	V	87.9	Confident	92.8	Very high	91 Å²	91	48.2 Å²	48.2	55%	0.552	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-31.1	174.9	-177.4	0	0	0	0	111.8	D291 N355	D291-V357 HydrophobicContact CB-CB 4.33Å; D291-V357 HydrophobicContact CB-CG1 4.31Å; D291-V357 HydrophobicContact CB-CG2 4.48Å; N355-V357 PolarHBondContact O-N 3.27Å; N355-V357 VanDerWaalsContact O-N 3.16Å; N355-V357 PolarHBondContact OD1-N 3.01Å; N355-V357 VanDerWaalsContact OD1-N 3.14Å
358	T	91.3	Very high	93.1	Very high	39 Å²	39	47.9 Å²	47.9	24%	0.239	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.6	-6.7	-174.7	58.9	0	0	0	0	113.4	S294 A295 N355 R360	S294-T358 PolarHBondContact OG-OG1 2.79Å; A295-T358 HydrophobicContact CB-CG2 3.98Å; N355-T358 PolarHBondContact O-N 2.79Å; T358-R360 PolarHBondContact O-N 3.49Å
359	D	92.9	Very high	93.5	Very high	113 Å²	113	48.3 Å²	48.3	60%	0.604	22%	0.22	S	C	*	.			trans	48.4	14.4	-166.8	-143.8	42.8	0	0	0	115.5	I354 N355 R356	I354-D359 WeakPolarHBondContact CG2-OD1 3.35Å; N355-D359 VanDerWaalsContact O-CA 3.23Å; N355-D359 WeakPolarHBondContact O-CA 3.01Å; N355-D359 PolarHBondContact O-N 2.88Å; R356-D359 IonicContact NH1-OD1 2.79Å
360	R	94.1	Very high	93.8	Very high	75 Å²	75	47.6 Å²	47.6	28%	0.283	22%	0.217	S	C	.	.			trans	-81.8	149.2	175	-70.5	178.2	65.3	162.3	6.4	111.4	S294 G297 D299 I354 N355 T358	S294-R360 WeakPolarHBondContact O-CD 3.5Å; S294-R360 PolarHBondContact O-NE 3.17Å; S294-R360 PolarHBondContact O-NH1 3.25Å; G297-R360 PolarHBondContact O-NH2 2.98Å; D299-R360 IonicContact OD1-CZ 3.67Å; D299-R360 IonicContact OD1-NE 2.73Å; D299-R360 IonicContact OD1-NH2 2.79Å; D299-R360 PolarHBondContact OD1-NH2 3.4Å; D299-R360 IonicContact OD2-NH2 3.2Å; I354-R360 CarbonylContact C-O 3.24Å; I354-R360 WeakPolarHBondContact CA-O 3.41Å; N355-R360 PolarHBondContact N-O 3.28Å; T358-R360 PolarHBondContact O-N 3.49Å
361	N	94.4	Very high	94.1	Very high	81 Å²	81	47.8 Å²	47.8	43%	0.433	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	136.9	162.8	-78.6	-65.9	0	0	0	110	R353	R353-N361 CarbonylContact O-C 3.39Å; R353-N361 WeakPolarHBondContact O-CA 3.23Å
362	I	95.6	Very high	94.4	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	137.4	175	-168	158	0	0	0	110.3	I290 D299 V301 R352 R353 N355 L364	I290-I362 HydrophobicContact CG2-CD1 3.69Å; D299-I362 CarbonylContact O-C 3.55Å; D299-I362 WeakPolarHBondContact O-CA 3.49Å; V301-I362 HydrophobicContact CG2-CD1 4.01Å; R352-I362 WeakPolarHBondContact CA-O 3.17Å; R353-I362 HydrophobicContact CG-CG2 4.34Å; R353-I362 PolarHBondContact N-O 3.5Å; R353-I362 PolarHBondContact O-N 2.98Å; N355-I362 HydrophobicContact CB-CG2 4.03Å; I362-L364 HydrophobicContact CD1-CD2 4.26Å; I362-L364 HydrophobicContact CG1-CD2 4.06Å
363	T	96	Very high	94.7	Very high	3 Å²	3	44.8 Å²	44.8	2%	0.018	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	124.9	172.7	-60.4	0	0	0	0	108.8	D299 Y300 V301 Y350	D299-T363 PolarHBondContact O-N 3.06Å; Y300-T363 WeakPolarHBondContact CA-O 3.49Å; Y300-T363 VanDerWaalsContact CD1-CB 3.43Å; Y300-T363 HydrophobicContact CD1-CG2 3.64Å; Y300-T363 HydrophobicContact CE1-CG2 3.89Å; V301-T363 PolarHBondContact N-O 2.67Å; Y350-T363 HydrophobicContact CD2-CG2 4.2Å; Y350-T363 HydrophobicContact CE1-CG2 4.33Å; Y350-T363 HydrophobicContact CE2-CG2 3.41Å; Y350-T363 VanDerWaalsContact CE2-CG2 3.41Å; Y350-T363 VanDerWaalsContact CZ-CG2 3.49Å; Y350-T363 WeakPolarHBondContact OH-CG2 3.42Å
364	L	96.6	Very high	94.9	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	128.2	173.9	-58	-176.1	0	0	0	108.6	I290 V301 M303 V317 I318 H351 I362	I290-L364 HydrophobicContact CD1-CD2 4.29Å; I290-L364 HydrophobicContact CG2-CD2 4.3Å; V301-L364 HydrophobicContact CB-CD2 3.8Å; V301-L364 HydrophobicContact CG2-CD2 4.15Å; V301-L364 WeakPolarHBondContact O-CA 3.48Å; M303-L364 HydrophobicContact CE-CB 3.88Å; M303-L364 HydrophobicContact CE-CD2 3.97Å; M303-L364 HydrophobicContact CE-CG 4.36Å; V317-L364 WeakPolarHBondContact O-CD1 3.48Å; I318-L364 HydrophobicContact CD1-CB 4.3Å; I318-L364 HydrophobicContact CD1-CD1 4.37Å; I318-L364 HydrophobicContact CG2-CB 4.31Å; H351-L364 PolarHBondContact N-O 2.84Å; H351-L364 PolarHBondContact O-N 2.81Å; I362-L364 HydrophobicContact CD1-CD2 4.26Å; I362-L364 HydrophobicContact CG1-CD2 4.06Å
365	S	95.7	Very high	95.2	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	112.2	175.2	175.1	0	0	0	0	109.9	V301 I302 M303 M349 K383 D582	V301-S365 PolarHBondContact O-N 2.79Å; I302-S365 CarbonylContact C-O 3.51Å; I302-S365 WeakPolarHBondContact CA-O 3.26Å; M303-S365 PolarHBondContact N-O 2.67Å; M349-S365 CarbonylContact O-C 3.57Å; M349-S365 WeakPolarHBondContact O-CA 3.41Å; S365-K383 WeakPolarHBondContact OG-CE 3.3Å; S365-K383 PolarHBondContact OG-NZ 2.9Å; S365-D582 PolarHBondContact OG-O 3.31Å
366	L	97.2	Very high	95.5	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	116	171.3	-174.6	66.2	0	0	0	109.4	M303 M305 R310 L314 I318 G348 M349 D582	M303-L366 HydrophobicContact CB-CD1 3.63Å; M305-L366 HydrophobicContact CG-CD1 4.06Å; M305-L366 HydrophobicContact SD-CD1 4.31Å; M305-L366 HydrophobicContact SD-CD2 4.47Å; R310-L366 HydrophobicContact CG-CD2 4.28Å; L314-L366 HydrophobicContact CD2-CD2 3.85Å; L314-L366 HydrophobicContact CG-CD2 3.96Å; I318-L366 HydrophobicContact CD1-CB 4.34Å; I318-L366 HydrophobicContact CG1-CB 4.43Å; G348-L366 CarbonylContact C-O 3.11Å; G348-L366 WeakPolarHBondContact CA-O 3.31Å; M349-L366 PolarHBondContact N-O 2.8Å; M349-L366 PolarHBondContact O-N 2.79Å; L366-D582 WeakPolarHBondContact O-CB 3.31Å
367	V	96.5	Very high	96	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.167	C	C	.	.			trans	-71.5	135.3	-178	173.6	0	0	0	0	110.7	I302 M303 R310 V379 V380 K383 D582 M730	I302-V367 HydrophobicContact CG2-CG2 4.16Å; M303-V367 PolarHBondContact O-N 2.97Å; R310-V367 PolarHBondContact NH2-O 3.23Å; V367-V379 HydrophobicContact CG1-CG1 4.27Å; V367-V380 HydrophobicContact CB-CG2 3.86Å; V367-V380 HydrophobicContact CG1-CG2 4.49Å; V367-V380 HydrophobicContact CG2-CG2 3.64Å; V367-K383 HydrophobicContact CG2-CD 4.25Å; V367-D582 WeakPolarHBondContact CA-OD2 3.47Å; V367-M730 HydrophobicContact CG1-CE 4.36Å
368	A	95.1	Very high	96.5	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.141	C	C	.	.			trans	-78.2	134	172.7	0	0	0	0	0	110.6	H346 W765 R767	H346-A368 VanDerWaalsContact O-CA 3.23Å; H346-A368 WeakPolarHBondContact O-CA 3.03Å; H346-A368 WeakPolarHBondContact O-CB 3.49Å; A368-W765 HydrophobicContact CB-CB 4.36Å; A368-W765 HydrophobicContact CB-CD2 3.82Å; A368-W765 HydrophobicContact CB-CE3 4.49Å; A368-W765 HydrophobicContact CB-CG 3.75Å; A368-R767 PolarHBondContact O-NH1 2.9Å
369	N	96.9	Very high	96.8	Very high	9 Å²	9	24.7 Å²	24.7	5%	0.048	13%	0.129	C	C	.	.			trans	-137.6	151.8	-168.2	62.2	-88	0	0	0	112.3	M305 R310 H346 A376	M305-N369 PolarHBondContact O-OD1 3.2Å; M305-N369 VanDerWaalsContact O-OD1 3.13Å; R310-N369 VanDerWaalsContact CZ-OD1 3.25Å; R310-N369 PolarHBondContact NH1-OD1 3.2Å; R310-N369 PolarHBondContact NH2-OD1 2.75Å; H346-N369 WeakPolarHBondContact CB-O 3.25Å; H346-N369 PolarHBondContact CD2-O 2.82Å; H346-N369 VanDerWaalsContact CG-O 3.29Å; H346-N369 PolarHBondContact O-N 2.7Å; N369-A376 HydrophobicContact CB-CB 3.57Å
370	P	96.9	Very high	97.1	Very high	3 Å²	3	19.3 Å²	19.3	2%	0.019	10%	0.101	C	C	.	.			trans	-72.3	175.4	170.9	35.1	-37.5	0	0	0	111.4	H372 Q756 F757	P370-H372 HydrophobicContact CB-CB 4.5Å; P370-H372 HydrophobicContact CG-CB 4.09Å; P370-H372 PolarHBondContact O-N 3.39Å; P370-Q756 HydrophobicContact CB-CB 3.87Å; P370-Q756 HydrophobicContact CB-CG 4.43Å; P370-Q756 HydrophobicContact CG-CB 3.83Å; P370-F757 HydrophobicContact CG-CD2 4.39Å; P370-F757 HydrophobicContact CG-CE2 3.72Å; P370-F757 HydrophobicContact CG-CZ 3.96Å
371	S	97.4	Very high	97.3	Very high	70 Å²	70	15.9 Å²	15.9	49%	0.49	9%	0.088	S	C	.	.	S	Bend	trans	-69	-4.4	169.5	-36.6	0	0	0	0	114.3	H346 L373	H346-S371 PolarHBondContact CE1-OG 2.86Å; H346-S371 PolarHBondContact NE2-N 3.22Å; H346-S371 PolarHBondContact NE2-OG 2.76Å; S371-L373 PolarHBondContact O-N 2.79Å
372	H	98.3	Very high	97.5	Very high	93 Å²	93	12 Å²	12	43%	0.431	7%	0.067	S	C	.	.	S	Bend	trans	-76.8	103.1	176.3	-65.4	33.7	0	0	0	106.9	P370 A375 C752 Q756	P370-H372 HydrophobicContact CB-CB 4.5Å; P370-H372 HydrophobicContact CG-CB 4.09Å; P370-H372 PolarHBondContact O-N 3.39Å; H372-A375 HydrophobicContact CB-CB 4.19Å; H372-A375 VanDerWaalsContact O-CB 3.28Å; H372-A375 WeakPolarHBondContact O-CB 3.47Å; H372-A375 PolarHBondContact O-N 3.26Å; H372-C752 PolarHBondContact CD2-SG 3.14Å; H372-Q756 PolarHBondContact CE1-NE2 2.68Å; H372-Q756 PolarHBondContact NE2-NE2 3.47Å; H372-Q756 VanDerWaalsContact NE2-NE2 3.14Å
373	L	98.3	Very high	97.6	Very high	52 Å²	52	12 Å²	12	27%	0.272	7%	0.067	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	147.5	-168.3	-55.1	179.6	0	0	0	111.2	P306 S371 A375 A409	P306-L373 HydrophobicContact CB-CD2 3.86Å; S371-L373 PolarHBondContact O-N 2.79Å; L373-A375 PolarHBondContact O-N 3.08Å; L373-A409 HydrophobicContact CB-CB 3.93Å; L373-A409 HydrophobicContact CD1-CB 3.67Å; L373-A409 HydrophobicContact CG-CB 4.45Å
374	E	98.7	Very high	97.8	Very high	9 Å²	9	11.9 Å²	11.9	4%	0.042	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	61	-7.6	-178.6	-33.4	-47	149.1	0	0	114.9	A376 D377 H405 A409 Q413 I415 V416	E374-A376 PolarHBondContact O-N 2.82Å; E374-D377 VanDerWaalsContact O-CB 3.28Å; E374-D377 WeakPolarHBondContact O-CB 3.46Å; E374-D377 PolarHBondContact O-N 2.83Å; E374-H405 IonicContact OE2-CE1 2.72Å; E374-H405 IonicContact OE2-CG 3.78Å; E374-H405 IonicContact OE2-ND1 2.72Å; E374-H405 PolarHBondContact OE2-ND1 3.32Å; E374-A409 HydrophobicContact CG-CB 4.08Å; E374-A409 WeakPolarHBondContact OE1-CB 3.48Å; E374-Q413 HydrophobicContact CB-CB 4.17Å; E374-Q413 HydrophobicContact CB-CG 4.43Å; E374-Q413 HydrophobicContact CG-CB 4.02Å; E374-Q413 HydrophobicContact CG-CG 3.99Å; E374-I415 HydrophobicContact CB-CG2 3.8Å; E374-I415 WeakPolarHBondContact O-CG2 3.35Å; E374-V416 HydrophobicContact CB-CG2 3.6Å; E374-V416 HydrophobicContact CG-CG2 3.64Å
375	A	98.6	Very high	97.8	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-10.9	178.5	0	0	0	0	0	114.6	H372 L373 Y719 F757	H372-A375 HydrophobicContact CB-CB 4.19Å; H372-A375 VanDerWaalsContact O-CB 3.28Å; H372-A375 WeakPolarHBondContact O-CB 3.47Å; H372-A375 PolarHBondContact O-N 3.26Å; L373-A375 PolarHBondContact O-N 3.08Å; A375-Y719 WeakPolarHBondContact CB-OH 3.28Å; A375-F757 HydrophobicContact CB-CE2 4.18Å; A375-F757 WeakPolarHBondContact O-CZ 3.47Å
376	A	98.3	Very high	97.9	Very high	6 Å²	6	13.4 Å²	13.4	5%	0.05	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-11.9	175.8	0	0	0	0	0	113.4	N369 E374 V379 V380 F757	N369-A376 HydrophobicContact CB-CB 3.57Å; E374-A376 PolarHBondContact O-N 2.82Å; A376-V379 WeakPolarHBondContact O-CB 3.47Å; A376-V379 PolarHBondContact O-N 3.33Å; A376-V379 VanDerWaalsContact O-N 3.11Å; A376-V380 WeakPolarHBondContact O-CG2 3.45Å; A376-V380 PolarHBondContact O-N 3.13Å; A376-F757 HydrophobicContact CB-CE1 4.5Å; A376-F757 HydrophobicContact CB-CZ 4.08Å
377	D	98.8	Very high	97.9	Very high	5 Å²	5	15 Å²	15	3%	0.027	8%	0.08	C	C	.	.	H	α-helix	trans	-59.1	-51.4	-174.8	-64.5	3	0	0	0	112.6	E374 V379 V380 M381 L403 H405 T419	E374-D377 VanDerWaalsContact O-CB 3.28Å; E374-D377 WeakPolarHBondContact O-CB 3.46Å; E374-D377 PolarHBondContact O-N 2.83Å; D377-V379 VanDerWaalsContact C-N 3.27Å; D377-V379 PolarHBondContact O-N 3.35Å; D377-V380 PolarHBondContact O-N 3.16Å; D377-M381 WeakPolarHBondContact O-CG 3.5Å; D377-M381 PolarHBondContact O-N 3.42Å; D377-L403 HydrophobicContact CB-CD1 3.83Å; D377-L403 HydrophobicContact CB-CD2 4.26Å; D377-H405 IonicContact OD2-CE1 3.34Å; D377-H405 PolarHBondContact OD2-CE1 3.36Å; D377-H405 IonicContact OD2-ND1 3.61Å; D377-H405 PolarHBondContact OD2-ND1 3.39Å; D377-T419 HydrophobicContact CB-CG2 4.13Å
378	P	98.7	Very high	98	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-68.8	-27	176	28.3	-35.1	0	0	0	112.4	V380 M381 G382 I415 T419 G720 F724	P378-V380 VanDerWaalsContact C-N 3.33Å; P378-V380 PolarHBondContact O-N 2.86Å; P378-M381 PolarHBondContact O-N 2.83Å; P378-G382 PolarHBondContact O-N 3.18Å; P378-I415 HydrophobicContact CG-CD1 3.54Å; P378-I415 HydrophobicContact CG-CG1 4.1Å; P378-T419 WeakPolarHBondContact CD-OG1 3.31Å; P378-G720 WeakPolarHBondContact CB-O 3.46Å; P378-F724 HydrophobicContact CB-CB 4.48Å; P378-F724 WeakPolarHBondContact O-CA 3.28Å
379	V	98.7	Very high	98	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-65.4	-38.7	176.2	-169.4	0	0	0	0	110.8	V367 A376 D377 K383 G723 L726 G727 M730 F757	V367-V379 HydrophobicContact CG1-CG1 4.27Å; A376-V379 WeakPolarHBondContact O-CB 3.47Å; A376-V379 PolarHBondContact O-N 3.33Å; A376-V379 VanDerWaalsContact O-N 3.11Å; D377-V379 VanDerWaalsContact C-N 3.27Å; D377-V379 PolarHBondContact O-N 3.35Å; V379-K383 WeakPolarHBondContact O-CB 3.19Å; V379-K383 PolarHBondContact O-N 3.49Å; V379-K383 VanDerWaalsContact O-N 3.09Å; V379-G723 VanDerWaalsContact CA-O 3.29Å; V379-G723 WeakPolarHBondContact CA-O 3.31Å; V379-L726 HydrophobicContact CG1-CD2 4.25Å; V379-L726 HydrophobicContact CG1-CG 4.34Å; V379-L726 HydrophobicContact CG2-CD2 4.03Å; V379-G727 VanDerWaalsContact O-CA 3.27Å; V379-G727 WeakPolarHBondContact O-CA 3.35Å; V379-M730 HydrophobicContact CG1-SD 3.64Å; V379-F757 HydrophobicContact CG2-CD1 4.47Å; V379-F757 HydrophobicContact CG2-CE1 4.07Å; V379-F757 HydrophobicContact CG2-CZ 4.13Å
380	V	98.7	Very high	97.9	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-67.2	-42.2	171.8	167.3	0	0	0	0	111.3	I302 V367 A376 D377 P378 K383 T384 L403	I302-V380 HydrophobicContact CB-CG1 4.33Å; I302-V380 HydrophobicContact CG2-CG1 4.03Å; V367-V380 HydrophobicContact CB-CG2 3.86Å; V367-V380 HydrophobicContact CG1-CG2 4.49Å; V367-V380 HydrophobicContact CG2-CG2 3.64Å; A376-V380 WeakPolarHBondContact O-CG2 3.45Å; A376-V380 PolarHBondContact O-N 3.13Å; D377-V380 PolarHBondContact O-N 3.16Å; P378-V380 VanDerWaalsContact C-N 3.33Å; P378-V380 PolarHBondContact O-N 2.86Å; V380-K383 PolarHBondContact O-N 3.32Å; V380-T384 WeakPolarHBondContact O-CB 3.3Å; V380-T384 PolarHBondContact O-N 3.07Å; V380-T384 PolarHBondContact O-OG1 3.19Å; V380-L403 HydrophobicContact CB-CD2 3.82Å; V380-L403 HydrophobicContact CG1-CD2 3.72Å; V380-L403 HydrophobicContact CG1-CG 4.48Å; V380-L403 HydrophobicContact CG2-CD2 4.12Å
381	M	98.5	Very high	97.8	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.01	12%	0.122	C	C	.	.	H	α-helix	trans	-63	-47.6	177.7	-66.4	-69.3	-86.8	0	0	111.9	D377 P378 K383 T384 K385 T419 T430 T433 F724	D377-M381 WeakPolarHBondContact O-CG 3.5Å; D377-M381 PolarHBondContact O-N 3.42Å; P378-M381 PolarHBondContact O-N 2.83Å; M381-K383 PolarHBondContact O-N 2.91Å; M381-T384 WeakPolarHBondContact O-CB 3.13Å; M381-T384 PolarHBondContact O-N 3.44Å; M381-K385 PolarHBondContact O-N 3.09Å; M381-T419 HydrophobicContact CG-CG2 3.67Å; M381-T430 HydrophobicContact CB-CG2 4.16Å; M381-T430 HydrophobicContact CE-CG2 3.93Å; M381-T430 WeakPolarHBondContact CE-OG1 3.35Å; M381-T430 VanDerWaalsContact O-CG2 3.28Å; M381-T430 WeakPolarHBondContact O-CG2 3.47Å; M381-T430 HydrophobicContact SD-CG2 3.81Å; M381-T430 PolarHBondContact SD-OG1 3.13Å; M381-T433 PolarHBondContact SD-OG1 2.83Å; M381-F724 HydrophobicContact CB-CD2 3.84Å; M381-F724 HydrophobicContact CB-CE2 3.86Å
382	G	98.4	Very high	97.7	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-60.4	-43.9	177.3	0	0	0	0	0	113	P378 K385 A386 F724 F728	P378-G382 PolarHBondContact O-N 3.18Å; G382-K385 PolarHBondContact O-N 2.93Å; G382-A386 PolarHBondContact O-N 3.38Å; G382-F724 VanDerWaalsContact CA-O 3.3Å; G382-F724 WeakPolarHBondContact CA-O 3.4Å; G382-F728 WeakPolarHBondContact O-CA 3.36Å
383	K	98.1	Very high	97.7	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-63.1	-44	173.6	-179.9	165.6	175.8	167.6	0	111.7	I302 S365 V367 V379 V380 M381 K385 A386 E387 D582 S583 G727 M730	I302-K383 HydrophobicContact CG2-CB 4.38Å; I302-K383 HydrophobicContact CG2-CD 4.07Å; I302-K383 HydrophobicContact CG2-CG 4.12Å; S365-K383 WeakPolarHBondContact OG-CE 3.3Å; S365-K383 PolarHBondContact OG-NZ 2.9Å; V367-K383 HydrophobicContact CG2-CD 4.25Å; V379-K383 WeakPolarHBondContact O-CB 3.19Å; V379-K383 PolarHBondContact O-N 3.49Å; V379-K383 VanDerWaalsContact O-N 3.09Å; V380-K383 PolarHBondContact O-N 3.32Å; M381-K383 PolarHBondContact O-N 2.91Å; K383-K385 VanDerWaalsContact C-N 3.32Å; K383-K385 PolarHBondContact O-N 2.96Å; K383-A386 PolarHBondContact O-N 3.44Å; K383-E387 HydrophobicContact CG-CG 4.34Å; K383-E387 VanDerWaalsContact O-CG 3.3Å; K383-E387 WeakPolarHBondContact O-CG 3.42Å; K383-E387 PolarHBondContact O-N 3.05Å; K383-D582 VanDerWaalsContact NZ-C 3.3Å; K383-D582 PolarHBondContact NZ-O 3.37Å; K383-D582 IonicContact NZ-OD2 3.99Å; K383-S583 PolarHBondContact NZ-OG 3.37Å; K383-G727 VanDerWaalsContact CA-O 3.31Å; K383-G727 WeakPolarHBondContact CA-O 3.47Å; K383-G727 WeakPolarHBondContact CB-O 3.49Å; K383-G727 VanDerWaalsContact N-C 3.34Å; K383-G727 PolarHBondContact N-O 2.89Å; K383-M730 HydrophobicContact CD-CE 4.2Å
384	T	98.5	Very high	97.5	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-57.3	-44.9	175.7	-57.4	0	0	0	0	110.9	I302 V380 M381 A386 E387 Q388 V399 T430	I302-T384 WeakPolarHBondContact CB-OG1 3.43Å; V380-T384 WeakPolarHBondContact O-CB 3.3Å; V380-T384 PolarHBondContact O-N 3.07Å; V380-T384 PolarHBondContact O-OG1 3.19Å; M381-T384 WeakPolarHBondContact O-CB 3.13Å; M381-T384 PolarHBondContact O-N 3.44Å; T384-A386 PolarHBondContact O-N 3.33Å; T384-E387 PolarHBondContact O-N 2.84Å; T384-Q388 WeakPolarHBondContact O-CB 3.45Å; T384-Q388 VanDerWaalsContact O-CG 3.3Å; T384-Q388 WeakPolarHBondContact O-CG 3.41Å; T384-Q388 PolarHBondContact O-N 3.47Å; T384-V399 HydrophobicContact CG2-CG1 4.04Å; T384-T430 HydrophobicContact CG2-CG2 3.87Å
385	K	98.1	Very high	97.2	Very high	33 Å²	33	26.9 Å²	26.9	14%	0.143	15%	0.148	C	C	.	.	H	α-helix	trans	-67.9	-34.1	178.1	-169	55.7	161.9	-170	0	113.2	M381 G382 K383 F389 T429 T430 H431 F724 F728	M381-K385 PolarHBondContact O-N 3.09Å; G382-K385 PolarHBondContact O-N 2.93Å; K383-K385 VanDerWaalsContact C-N 3.32Å; K383-K385 PolarHBondContact O-N 2.96Å; K385-F389 WeakPolarHBondContact O-CB 3.38Å; K385-F389 PolarHBondContact O-N 2.65Å; K385-T429 VanDerWaalsContact CD-O 3.25Å; K385-T429 WeakPolarHBondContact CD-O 3.45Å; K385-T429 WeakPolarHBondContact CE-O 3.22Å; K385-T429 PolarHBondContact NZ-O 3.23Å; K385-T430 HydrophobicContact CB-CG2 4.39Å; K385-H431 PolarHBondContact NZ-NE2 3.16Å; K385-F724 HydrophobicContact CB-CE1 4.21Å; K385-F724 HydrophobicContact CB-CE2 4.41Å; K385-F724 HydrophobicContact CB-CZ 3.55Å; K385-F724 HydrophobicContact CG-CE1 4.44Å; K385-F724 HydrophobicContact CG-CZ 3.92Å; K385-F728 HydrophobicContact CB-CD2 4.4Å; K385-F728 HydrophobicContact CB-CE2 4.41Å; K385-F728 HydrophobicContact CG-CE2 4.2Å
386	A	97.4	Very high	97	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-70.1	-43.5	175.7	0	0	0	0	0	112.4	G382 K383 T384 Q388 F389 Y390 F728 A731	G382-A386 PolarHBondContact O-N 3.38Å; K383-A386 PolarHBondContact O-N 3.44Å; T384-A386 PolarHBondContact O-N 3.33Å; A386-Q388 VanDerWaalsContact C-N 3.35Å; A386-Q388 PolarHBondContact O-N 2.99Å; A386-F389 WeakPolarHBondContact O-CB 3.02Å; A386-F389 PolarHBondContact O-N 3.49Å; A386-Y390 HydrophobicContact CB-CD2 4.37Å; A386-Y390 HydrophobicContact CB-CE2 4.06Å; A386-Y390 WeakPolarHBondContact O-CD2 3.41Å; A386-Y390 PolarHBondContact O-N 3.29Å; A386-F728 HydrophobicContact CB-CB 4.33Å; A386-F728 HydrophobicContact CB-CD1 3.86Å; A386-F728 HydrophobicContact CB-CD2 3.69Å; A386-F728 HydrophobicContact CB-CE1 3.96Å; A386-F728 HydrophobicContact CB-CE2 3.79Å; A386-F728 HydrophobicContact CB-CG 3.71Å; A386-F728 HydrophobicContact CB-CZ 3.92Å; A386-A731 HydrophobicContact CB-CB 3.45Å; A386-A731 VanDerWaalsContact CB-CB 3.45Å
387	E	97.2	Very high	96.9	Very high	33 Å²	33	30.7 Å²	30.7	15%	0.154	16%	0.164	C	C	.	.	H	α-helix	trans	-61.8	-42.1	173.2	-64.3	-73.6	-175.3	0	0	111	I302 K383 T384 F389 Y390 C391 V399	I302-E387 HydrophobicContact CD1-CG 4.22Å; K383-E387 HydrophobicContact CG-CG 4.34Å; K383-E387 VanDerWaalsContact O-CG 3.3Å; K383-E387 WeakPolarHBondContact O-CG 3.42Å; K383-E387 PolarHBondContact O-N 3.05Å; T384-E387 PolarHBondContact O-N 2.84Å; E387-F389 PolarHBondContact O-N 2.71Å; E387-Y390 PolarHBondContact O-N 3.01Å; E387-C391 WeakPolarHBondContact O-CB 3.42Å; E387-C391 PolarHBondContact O-N 3.06Å; E387-C391 PolarHBondContact O-SG 3.02Å; E387-V399 HydrophobicContact CB-CG1 3.87Å; E387-V399 HydrophobicContact CB-CG2 4.46Å
388	Q	97.6	Very high	96.9	Very high	3 Å²	3	34.3 Å²	34.3	1%	0.014	18%	0.179	C	C	.	.	H	α-helix	trans	-55.3	-48.2	170.6	-76.9	174.1	-9.1	0	0	111.9	T384 A386 G392 D393 V399 T430	T384-Q388 WeakPolarHBondContact O-CB 3.45Å; T384-Q388 VanDerWaalsContact O-CG 3.3Å; T384-Q388 WeakPolarHBondContact O-CG 3.41Å; T384-Q388 PolarHBondContact O-N 3.47Å; A386-Q388 VanDerWaalsContact C-N 3.35Å; A386-Q388 PolarHBondContact O-N 2.99Å; Q388-G392 PolarHBondContact O-N 3.03Å; Q388-D393 HydrophobicContact CB-CB 4.4Å; Q388-D393 HydrophobicContact CG-CB 4.4Å; Q388-D393 PolarHBondContact O-N 2.67Å; Q388-V399 HydrophobicContact CG-CB 3.61Å; Q388-V399 HydrophobicContact CG-CG1 4.08Å; Q388-V399 HydrophobicContact CG-CG2 4.13Å; Q388-V399 PolarHBondContact NE2-O 2.85Å; Q388-T430 PolarHBondContact NE2-O 2.84Å
389	F	96.6	Very high	96.9	Very high	77 Å²	77	34.3 Å²	34.3	34%	0.338	18%	0.179	S	C	.	.	H	α-helix	trans	-62.2	-50.9	179.4	179.4	-90.8	0	0	0	112.1	K385 A386 E387 C391 G392 H666 P708 F728	K385-F389 WeakPolarHBondContact O-CB 3.38Å; K385-F389 PolarHBondContact O-N 2.65Å; A386-F389 WeakPolarHBondContact O-CB 3.02Å; A386-F389 PolarHBondContact O-N 3.49Å; E387-F389 PolarHBondContact O-N 2.71Å; F389-C391 PolarHBondContact O-N 2.82Å; F389-G392 PolarHBondContact O-N 2.84Å; F389-H666 AromaticContact CD1-CE1 3.78Å; F389-H666 AromaticContact CD1-ND1 3.91Å; F389-H666 AromaticContact CD1-NE2 3.84Å; F389-H666 HydrophobicContact CE1-CB 4.37Å; F389-H666 AromaticContact CE1-CE1 3.42Å; F389-H666 VanDerWaalsContact CE1-CE1 3.42Å; F389-H666 WeakPolarHBondContact CE1-CE1 3.1Å; F389-H666 AromaticContact CE1-CG 3.69Å; F389-H666 AromaticContact CE1-ND1 3.29Å; F389-H666 VanDerWaalsContact CE1-ND1 3.29Å; F389-H666 WeakPolarHBondContact CE1-ND1 3.5Å; F389-H666 AromaticContact CE1-NE2 3.71Å; F389-H666 AromaticContact CZ-CD2 3.77Å; F389-H666 AromaticContact CZ-CG 3.9Å; F389-H666 AromaticContact CZ-ND1 3.75Å; F389-H666 AromaticContact CZ-NE2 3.83Å; F389-P708 HydrophobicContact CZ-CB 4.12Å; F389-P708 HydrophobicContact CZ-CG 4.03Å; F389-F728 HydrophobicContact CB-CZ 4.27Å; F389-F728 HydrophobicContact CD1-CZ 4.45Å; F389-F728 HydrophobicContact CG-CZ 4.32Å
390	Y	95	Very high	96.8	Very high	83 Å²	83	34.3 Å²	34.3	33%	0.325	18%	0.179	S	C	.	.	H	α-helix	trans	-73.5	-23.7	-175.3	-63.3	-56.9	0	0	0	114.1	A386 E387 H666 F728 A731 A735	A386-Y390 HydrophobicContact CB-CD2 4.37Å; A386-Y390 HydrophobicContact CB-CE2 4.06Å; A386-Y390 WeakPolarHBondContact O-CD2 3.41Å; A386-Y390 PolarHBondContact O-N 3.29Å; E387-Y390 PolarHBondContact O-N 3.01Å; Y390-H666 HydrophobicContact CE1-CB 4.33Å; Y390-H666 AromaticContact CE1-CE1 3.08Å; Y390-H666 WeakPolarHBondContact CE1-CE1 3.33Å; Y390-H666 AromaticContact CE1-ND1 3.87Å; Y390-H666 AromaticContact CE2-CE1 3.97Å; Y390-H666 AromaticContact CZ-CE1 2.79Å; Y390-H666 AromaticContact CZ-ND1 3.76Å; Y390-H666 PolarHBondContact OH-CE1 2.72Å; Y390-H666 PolarHBondContact OH-ND1 3.23Å; Y390-F728 HydrophobicContact CE2-CE1 4.41Å; Y390-A731 HydrophobicContact CD2-CB 4.17Å; Y390-A731 HydrophobicContact CE2-CB 4.09Å; Y390-A735 WeakPolarHBondContact OH-CB 3.35Å
391	C	94.6	Very high	96.8	Very high	41 Å²	41	34.3 Å²	34.3	28%	0.277	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	3	173.2	80.3	0	0	0	0	114.8	E387 F389 D393 K398 V399	E387-C391 WeakPolarHBondContact O-CB 3.42Å; E387-C391 PolarHBondContact O-N 3.06Å; E387-C391 PolarHBondContact O-SG 3.02Å; F389-C391 PolarHBondContact O-N 2.82Å; C391-D393 VanDerWaalsContact SG-CB 3.55Å; C391-K398 PolarHBondContact O-NZ 3.04Å; C391-V399 VanDerWaalsContact SG-CG2 3.54Å
392	G	95.7	Very high	96.8	Very high	49 Å²	49	34.2 Å²	34.2	51%	0.505	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.2	37.7	180	0	0	0	0	0	113.7	Q388 F389 T394	Q388-G392 PolarHBondContact O-N 3.03Å; F389-G392 PolarHBondContact O-N 2.84Å; G392-T394 PolarHBondContact O-N 3.13Å
393	D	96.8	Very high	96.9	Very high	10 Å²	10	34.2 Å²	34.2	5%	0.053	18%	0.179	C	C	.	.			trans	-98.9	67.8	179.2	-173	29.4	0	0	0	111.4	Q388 C391 E395 G396 K397 K398 V399	Q388-D393 HydrophobicContact CB-CB 4.4Å; Q388-D393 HydrophobicContact CG-CB 4.4Å; Q388-D393 PolarHBondContact O-N 2.67Å; C391-D393 VanDerWaalsContact SG-CB 3.55Å; D393-E395 PolarHBondContact O-N 3.45Å; D393-E395 VanDerWaalsContact O-N 3.14Å; D393-G396 PolarHBondContact O-N 3.48Å; D393-G396 VanDerWaalsContact O-N 3.15Å; D393-G396 PolarHBondContact OD1-N 3.03Å; D393-G396 WeakPolarHBondContact OD2-CA 3.39Å; D393-K397 VanDerWaalsContact CG-N 3.31Å; D393-K397 PolarHBondContact OD1-N 3.34Å; D393-K397 PolarHBondContact OD2-N 2.97Å; D393-K397 VanDerWaalsContact OD2-N 3.08Å; D393-K398 HydrophobicContact CB-CB 4.19Å; D393-K398 HydrophobicContact CB-CD 4.26Å; D393-K398 HydrophobicContact CB-CG 4.41Å; D393-K398 VanDerWaalsContact CG-N 3.3Å; D393-K398 PolarHBondContact OD1-N 3.32Å; D393-K398 WeakPolarHBondContact OD2-CA 3.44Å; D393-K398 WeakPolarHBondContact OD2-CB 3.47Å; D393-K398 PolarHBondContact OD2-N 2.99Å; D393-V399 HydrophobicContact CB-CG2 4.4Å; D393-V399 PolarHBondContact OD2-N 2.98Å
394	T	94	Very high	96.9	Very high	120 Å²	120	34.4 Å²	34.4	74%	0.736	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-6.3	-178.8	53.4	0	0	0	0	114.5	G392	G392-T394 PolarHBondContact O-N 3.13Å
395	E	93.6	Very high	96.9	Very high	102 Å²	102	34.4 Å²	34.4	48%	0.477	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.9	-0.3	177.6	-58.8	-179.5	178.6	0	0	111.9	D393 K397 H494	D393-E395 PolarHBondContact O-N 3.45Å; D393-E395 VanDerWaalsContact O-N 3.14Å; E395-K397 VanDerWaalsContact C-N 3.25Å; E395-K397 HydrophobicContact CB-CD 4.08Å; E395-K397 HydrophobicContact CB-CG 4.09Å; E395-K397 PolarHBondContact O-N 3.5Å; E395-K397 WeakPolarHBondContact OE2-CD 3.45Å; E395-K397 VanDerWaalsContact OE2-CE 3.22Å; E395-K397 WeakPolarHBondContact OE2-CE 3.34Å; E395-K397 IonicContact OE2-NZ 3.55Å; E395-K397 PolarHBondContact OE2-NZ 2.9Å; E395-H494 PolarHBondContact O-CE1 3.03Å; E395-H494 PolarHBondContact O-ND1 3.29Å; E395-H494 VanDerWaalsContact O-ND1 3.09Å
396	G	94.4	Very high	96.9	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.182	C	C	.	.	S	Bend	trans	61.8	23.9	-178.4	0	0	0	0	0	115.4	D393 R490	D393-G396 PolarHBondContact O-N 3.48Å; D393-G396 VanDerWaalsContact O-N 3.15Å; D393-G396 PolarHBondContact OD1-N 3.03Å; D393-G396 WeakPolarHBondContact OD2-CA 3.39Å; G396-R490 VanDerWaalsContact O-CZ 3.29Å; G396-R490 PolarHBondContact O-NH1 2.99Å; G396-R490 PolarHBondContact O-NH2 3.18Å
397	K	96.6	Very high	96.9	Very high	86 Å²	86	33.9 Å²	33.9	37%	0.374	18%	0.183	S	C	.	.	S	Bend	trans	-83.5	-20.5	-175.9	-71.7	177.7	179.6	165.1	0	113.6	G297 V298 D393 E395	G297-K397 CarbonylContact C-O 3.53Å; V298-K397 PolarHBondContact N-O 3.48Å; D393-K397 VanDerWaalsContact CG-N 3.31Å; D393-K397 PolarHBondContact OD1-N 3.34Å; D393-K397 PolarHBondContact OD2-N 2.97Å; D393-K397 VanDerWaalsContact OD2-N 3.08Å; E395-K397 VanDerWaalsContact C-N 3.25Å; E395-K397 HydrophobicContact CB-CD 4.08Å; E395-K397 HydrophobicContact CB-CG 4.09Å; E395-K397 PolarHBondContact O-N 3.5Å; E395-K397 WeakPolarHBondContact OE2-CD 3.45Å; E395-K397 VanDerWaalsContact OE2-CE 3.22Å; E395-K397 WeakPolarHBondContact OE2-CE 3.34Å; E395-K397 IonicContact OE2-NZ 3.55Å; E395-K397 PolarHBondContact OE2-NZ 2.9Å
398	K	97.6	Very high	96.9	Very high	82 Å²	82	33.7 Å²	33.7	36%	0.357	19%	0.187	S	C	.	.	S	Bend	trans	-99.6	-28.6	178.7	-56.7	176	-169.1	153.8	0	112.7	V298 D299 Y300 C391 D393	V298-K398 CarbonylContact C-O 3.58Å; V298-K398 WeakPolarHBondContact CA-O 3.5Å; V298-K398 WeakPolarHBondContact CG1-O 3.35Å; D299-K398 PolarHBondContact N-O 2.87Å; Y300-K398 PolarHBondContact N-O 3.21Å; C391-K398 PolarHBondContact O-NZ 3.04Å; D393-K398 HydrophobicContact CB-CB 4.19Å; D393-K398 HydrophobicContact CB-CD 4.26Å; D393-K398 HydrophobicContact CB-CG 4.41Å; D393-K398 VanDerWaalsContact CG-N 3.3Å; D393-K398 PolarHBondContact OD1-N 3.32Å; D393-K398 WeakPolarHBondContact OD2-CA 3.44Å; D393-K398 WeakPolarHBondContact OD2-CB 3.47Å; D393-K398 PolarHBondContact OD2-N 2.99Å
399	V	98.3	Very high	97	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	129.9	-173.6	-171.4	0	0	0	0	110.4	Y300 T384 E387 Q388 C391 D393 R490	Y300-V399 HydrophobicContact CD2-CG2 4.04Å; Y300-V399 HydrophobicContact CG-CG2 4.25Å; Y300-V399 WeakPolarHBondContact O-CA 3.39Å; T384-V399 HydrophobicContact CG2-CG1 4.04Å; E387-V399 HydrophobicContact CB-CG1 3.87Å; E387-V399 HydrophobicContact CB-CG2 4.46Å; Q388-V399 HydrophobicContact CG-CB 3.61Å; Q388-V399 HydrophobicContact CG-CG1 4.08Å; Q388-V399 HydrophobicContact CG-CG2 4.13Å; Q388-V399 PolarHBondContact NE2-O 2.85Å; C391-V399 VanDerWaalsContact SG-CG2 3.54Å; D393-V399 HydrophobicContact CB-CG2 4.4Å; D393-V399 PolarHBondContact OD2-N 2.98Å; V399-R490 PolarHBondContact O-NH2 2.9Å
400	M	97.9	Very high	97	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	159.2	176.5	77.2	180	-67.8	0	0	113.3	I289 S293 V298 Y300 V301 I302 I402 V434 R490	I289-M400 HydrophobicContact CG2-CE 4.33Å; S293-M400 WeakPolarHBondContact CB-SD 3.38Å; S293-M400 PolarHBondContact OG-SD 2.76Å; V298-M400 HydrophobicContact CG1-CB 4.5Å; V298-M400 HydrophobicContact CG1-CG 3.93Å; V298-M400 HydrophobicContact CG1-SD 4.16Å; V298-M400 HydrophobicContact CG2-CG 4.47Å; V298-M400 HydrophobicContact CG2-SD 4.18Å; Y300-M400 PolarHBondContact O-N 3.4Å; V301-M400 WeakPolarHBondContact CA-O 3.35Å; V301-M400 HydrophobicContact CB-CG 4.4Å; V301-M400 HydrophobicContact CG1-CG 4.16Å; V301-M400 HydrophobicContact CG2-CG 4.01Å; V301-M400 HydrophobicContact CG2-SD 4.25Å; I302-M400 PolarHBondContact N-O 3.2Å; M400-I402 HydrophobicContact CE-CD1 4.4Å; M400-I402 HydrophobicContact CE-CG1 3.87Å; M400-V434 HydrophobicContact CE-CB 4.29Å; M400-V434 HydrophobicContact CE-CG2 3.63Å; M400-R490 VanDerWaalsContact CB-CZ 3.42Å
401	S	98.3	Very high	97.2	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	142.5	167.1	32.1	0	0	0	0	111.5	I302 T430 T433 V434	I302-S401 CarbonylContact O-C 3.55Å; I302-S401 WeakPolarHBondContact O-CA 3.44Å; S401-T430 PolarHBondContact OG-OG1 2.72Å; S401-T433 PolarHBondContact OG-OG1 3.01Å; S401-V434 PolarHBondContact O-N 3.38Å
402	I	98.8	Very high	97.3	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	125.6	160.7	-57.4	177.5	0	0	0	107.4	L286 I289 I290 V301 I302 M303 G304 M400 L404 V434 V436	L286-I402 HydrophobicContact CD2-CG2 4.15Å; I289-I402 HydrophobicContact CB-CD1 4.33Å; I289-I402 HydrophobicContact CG2-CD1 3.63Å; I289-I402 HydrophobicContact CG2-CG1 4.33Å; I290-I402 HydrophobicContact CG1-CD1 3.98Å; V301-I402 HydrophobicContact CG1-CB 4.46Å; V301-I402 HydrophobicContact CG1-CD1 3.56Å; V301-I402 HydrophobicContact CG1-CG1 3.75Å; I302-I402 PolarHBondContact O-N 2.67Å; M303-I402 VanDerWaalsContact CA-O 3.3Å; M303-I402 WeakPolarHBondContact CA-O 3.34Å; M303-I402 HydrophobicContact CG-CB 4Å; G304-I402 PolarHBondContact N-O 3.4Å; M400-I402 HydrophobicContact CE-CD1 4.4Å; M400-I402 HydrophobicContact CE-CG1 3.87Å; I402-L404 HydrophobicContact CG2-CD1 3.94Å; I402-V434 VanDerWaalsContact CA-O 3.3Å; I402-V434 WeakPolarHBondContact CA-O 3.3Å; I402-V434 HydrophobicContact CG1-CB 4.45Å; I402-V434 WeakPolarHBondContact CG2-O 3.33Å; I402-V436 HydrophobicContact CG2-CG2 4.36Å
403	L	98.9	Very high	97.5	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	136.1	175.7	-69	175.5	0	0	0	110	D377 V380 H405 T433 V434 H435 V436	D377-L403 HydrophobicContact CB-CD1 3.83Å; D377-L403 HydrophobicContact CB-CD2 4.26Å; V380-L403 HydrophobicContact CB-CD2 3.82Å; V380-L403 HydrophobicContact CG1-CD2 3.72Å; V380-L403 HydrophobicContact CG1-CG 4.48Å; V380-L403 HydrophobicContact CG2-CD2 4.12Å; L403-H405 WeakPolarHBondContact CB-NE2 3.44Å; L403-T433 HydrophobicContact CB-CG2 4.22Å; L403-T433 HydrophobicContact CD1-CG2 4.02Å; L403-T433 HydrophobicContact CG-CG2 3.9Å; L403-V434 PolarHBondContact N-O 2.98Å; L403-H435 CarbonylContact O-C 3.53Å; L403-H435 WeakPolarHBondContact O-CA 3.12Å; L403-V436 PolarHBondContact O-N 2.87Å
404	L	98.8	Very high	97.5	Very high	3 Å²	3	31.8 Å²	31.8	2%	0.016	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	136.9	177.1	-66.9	74.8	0	0	0	108.7	L282 L286 G304 M305 P306 I402 V436	L282-L404 HydrophobicContact CD1-CD2 4.17Å; L282-L404 HydrophobicContact CD2-CD2 4.24Å; L286-L404 HydrophobicContact CD1-CD2 3.93Å; L286-L404 HydrophobicContact CD2-CD1 3.94Å; L286-L404 HydrophobicContact CD2-CD2 4.02Å; L286-L404 HydrophobicContact CD2-CG 4.12Å; G304-L404 WeakPolarHBondContact O-CD1 3.38Å; G304-L404 PolarHBondContact O-N 2.76Å; M305-L404 HydrophobicContact CB-CB 3.63Å; M305-L404 HydrophobicContact CB-CD1 4.22Å; M305-L404 HydrophobicContact CB-CD2 3.97Å; M305-L404 HydrophobicContact CB-CG 4.17Å; M305-L404 HydrophobicContact CE-CD2 3.93Å; M305-L404 HydrophobicContact SD-CD2 4.21Å; P306-L404 WeakPolarHBondContact CD-O 3.2Å; I402-L404 HydrophobicContact CG2-CD1 3.94Å; L404-V436 VanDerWaalsContact CA-O 3.28Å; L404-V436 WeakPolarHBondContact CA-O 3.47Å; L404-V436 HydrophobicContact CG-CB 4.39Å
405	H	98.8	Very high	97.7	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	162.2	-172.3	-45.5	-80.7	0	0	0	112.1	E374 D377 L403 F410 H435 V436 V437 V438	E374-H405 IonicContact OE2-CE1 2.72Å; E374-H405 IonicContact OE2-CG 3.78Å; E374-H405 IonicContact OE2-ND1 2.72Å; E374-H405 PolarHBondContact OE2-ND1 3.32Å; D377-H405 IonicContact OD2-CE1 3.34Å; D377-H405 PolarHBondContact OD2-CE1 3.36Å; D377-H405 IonicContact OD2-ND1 3.61Å; D377-H405 PolarHBondContact OD2-ND1 3.39Å; L403-H405 WeakPolarHBondContact CB-NE2 3.44Å; H405-F410 HydrophobicContact CB-CB 3.91Å; H405-F410 HydrophobicContact CB-CD2 3.6Å; H405-F410 HydrophobicContact CB-CE2 4.39Å; H405-F410 HydrophobicContact CB-CG 4.01Å; H405-F410 AromaticContact CD2-CD2 3.44Å; H405-F410 VanDerWaalsContact CD2-CD2 3.44Å; H405-F410 WeakPolarHBondContact CD2-CD2 3.49Å; H405-F410 AromaticContact CD2-CE2 3.31Å; H405-F410 WeakPolarHBondContact CD2-CE2 3.43Å; H405-F410 AromaticContact CE1-CD2 3.93Å; H405-F410 AromaticContact CE1-CE2 3.78Å; H405-F410 AromaticContact CG-CD2 3.27Å; H405-F410 AromaticContact CG-CE2 3.67Å; H405-F410 AromaticContact ND1-CD2 3.62Å; H405-F410 AromaticContact ND1-CE2 3.95Å; H405-F410 AromaticContact NE2-CD2 3.87Å; H405-F410 AromaticContact NE2-CE2 3.41Å; H405-F410 WeakPolarHBondContact NE2-CE2 3.5Å; H405-H435 AromaticContact CE1-ND1 3.8Å; H405-H435 AromaticContact NE2-CG 3.76Å; H405-H435 AromaticContact NE2-ND1 2.96Å; H405-H435 PolarHBondContact NE2-ND1 3.14Å; H405-V436 PolarHBondContact N-O 3.45Å; H405-V437 HydrophobicContact CB-CG2 4.35Å; H405-V438 PolarHBondContact O-N 2.86Å
406	G	98.2	Very high	98	Very high	19 Å²	19	21.3 Å²	21.3	20%	0.196	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	142.4	166	0	0	0	0	0	111.5	A408 A409 F410	G406-A408 PolarHBondContact O-N 3.09Å; G406-A409 PolarHBondContact O-N 3.36Å; G406-F410 WeakPolarHBondContact O-CB 3.45Å; G406-F410 PolarHBondContact O-N 2.96Å
407	D	97.8	Very high	98.2	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.011	16%	0.162	C	C	.	.	H	α-helix	trans	-51.2	-48.8	-173.1	44.8	-76.1	0	0	0	114.7	A409 A411 V437 N439 N440 I442 P457	D407-A409 VanDerWaalsContact C-N 3.3Å; D407-A409 PolarHBondContact O-N 2.78Å; D407-A411 WeakPolarHBondContact O-CB 3.37Å; D407-A411 PolarHBondContact O-N 3.39Å; D407-V437 HydrophobicContact CB-CG1 4.4Å; D407-N439 HydrophobicContact CB-CB 4.08Å; D407-N439 WeakPolarHBondContact OD1-CA 3.49Å; D407-N440 PolarHBondContact OD1-N 3.44Å; D407-N440 PolarHBondContact OD1-ND2 2.87Å; D407-I442 PolarHBondContact OD2-N 2.8Å; D407-P457 HydrophobicContact CB-CB 3.84Å; D407-P457 HydrophobicContact CB-CG 3.9Å; D407-P457 VanDerWaalsContact O-CB 3.32Å; D407-P457 WeakPolarHBondContact O-CB 3.18Å
408	A	97.4	Very high	98.3	Very high	29 Å²	29	24.7 Å²	24.7	24%	0.24	15%	0.153	C	C	.	.	H	α-helix	trans	-72.5	-19.4	-179.9	0	0	0	0	0	114.3	G406 A451	G406-A408 PolarHBondContact O-N 3.09Å; A408-A451 HydrophobicContact CB-CB 4.4Å
409	A	98.2	Very high	98.3	Very high	7 Å²	7	21 Å²	21	6%	0.058	14%	0.138	C	C	.	.	H	α-helix	trans	-92.6	-41.4	-179.9	0	0	0	0	0	111.3	L373 E374 G406 D407 A411 G412 Q413	L373-A409 HydrophobicContact CB-CB 3.93Å; L373-A409 HydrophobicContact CD1-CB 3.67Å; L373-A409 HydrophobicContact CG-CB 4.45Å; E374-A409 HydrophobicContact CG-CB 4.08Å; E374-A409 WeakPolarHBondContact OE1-CB 3.48Å; G406-A409 PolarHBondContact O-N 3.36Å; D407-A409 VanDerWaalsContact C-N 3.3Å; D407-A409 PolarHBondContact O-N 2.78Å; A409-A411 VanDerWaalsContact C-N 3.27Å; A409-A411 PolarHBondContact O-N 2.82Å; A409-G412 PolarHBondContact O-N 2.97Å; A409-Q413 PolarHBondContact O-N 2.84Å
410	F	98.4	Very high	98.3	Very high	1 Å²	1	21 Å²	21	0%	0.004	14%	0.138	C	C	.	.	H	α-helix	trans	-55	-42.1	171.8	-162.6	-118.5	0	0	0	112.3	H405 G406 V416 F420 V437 P457 T458 V460 V498	H405-F410 HydrophobicContact CB-CB 3.91Å; H405-F410 HydrophobicContact CB-CD2 3.6Å; H405-F410 HydrophobicContact CB-CE2 4.39Å; H405-F410 HydrophobicContact CB-CG 4.01Å; H405-F410 AromaticContact CD2-CD2 3.44Å; H405-F410 VanDerWaalsContact CD2-CD2 3.44Å; H405-F410 WeakPolarHBondContact CD2-CD2 3.49Å; H405-F410 AromaticContact CD2-CE2 3.31Å; H405-F410 WeakPolarHBondContact CD2-CE2 3.43Å; H405-F410 AromaticContact CE1-CD2 3.93Å; H405-F410 AromaticContact CE1-CE2 3.78Å; H405-F410 AromaticContact CG-CD2 3.27Å; H405-F410 AromaticContact CG-CE2 3.67Å; H405-F410 AromaticContact ND1-CD2 3.62Å; H405-F410 AromaticContact ND1-CE2 3.95Å; H405-F410 AromaticContact NE2-CD2 3.87Å; H405-F410 AromaticContact NE2-CE2 3.41Å; H405-F410 WeakPolarHBondContact NE2-CE2 3.5Å; G406-F410 WeakPolarHBondContact O-CB 3.45Å; G406-F410 PolarHBondContact O-N 2.96Å; F410-V416 HydrophobicContact CD2-CG1 3.58Å; F410-V416 HydrophobicContact CD2-CG2 4.32Å; F410-V416 HydrophobicContact CE2-CG1 3.55Å; F410-V416 HydrophobicContact CG-CG1 4.32Å; F410-V416 HydrophobicContact CZ-CG1 4.27Å; F410-F420 HydrophobicContact CE1-CE2 4.5Å; F410-F420 AromaticContact CE2-CE2 3.86Å; F410-F420 HydrophobicContact CE2-CE2 3.86Å; F410-F420 HydrophobicContact CE2-CZ 4.21Å; F410-F420 AromaticContact CZ-CE2 3.56Å; F410-F420 HydrophobicContact CZ-CE2 3.56Å; F410-F420 AromaticContact CZ-CZ 3.73Å; F410-F420 HydrophobicContact CZ-CZ 3.73Å; F410-V437 HydrophobicContact CD1-CG2 3.66Å; F410-V437 HydrophobicContact CD2-CG2 4.36Å; F410-V437 HydrophobicContact CE1-CG2 3.75Å; F410-V437 HydrophobicContact CE2-CG2 4.43Å; F410-V437 HydrophobicContact CG-CG2 3.97Å; F410-V437 HydrophobicContact CZ-CG2 4.12Å; F410-P457 WeakPolarHBondContact CD1-O 3.34Å; F410-T458 HydrophobicContact CD1-CG2 4.39Å; F410-T458 HydrophobicContact CE1-CG2 4.13Å; F410-V460 HydrophobicContact CD1-CG1 3.88Å; F410-V460 HydrophobicContact CE1-CG1 3.7Å; F410-V460 HydrophobicContact CG-CG1 4.44Å; F410-V460 HydrophobicContact CZ-CG1 4.12Å; F410-V498 HydrophobicContact CE1-CG1 4.3Å; F410-V498 HydrophobicContact CZ-CG1 4.41Å; F410-V498 HydrophobicContact CZ-CG2 4.46Å
411	A	97.9	Very high	98.2	Very high	37 Å²	37	24.8 Å²	24.8	31%	0.306	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-13.4	177.5	0	0	0	0	0	114.6	D407 A409 R452 P457	D407-A411 WeakPolarHBondContact O-CB 3.37Å; D407-A411 PolarHBondContact O-N 3.39Å; A409-A411 VanDerWaalsContact C-N 3.27Å; A409-A411 PolarHBondContact O-N 2.82Å; A411-R452 HydrophobicContact CB-CB 4.05Å; A411-P457 HydrophobicContact CB-CB 4.24Å
412	G	97.5	Very high	98.2	Very high	48 Å²	48	24.9 Å²	24.9	50%	0.495	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120	-17.7	-165.3	0	0	0	0	0	116.2	A409	A409-G412 PolarHBondContact O-N 2.97Å
413	Q	98.4	Very high	97.9	Very high	83 Å²	83	25 Å²	25	39%	0.388	16%	0.157	S	C	.	.			trans	-98.6	119.5	-180	-63.7	-55.8	-53.2	0	0	111.4	E374 A409 I415 V416	E374-Q413 HydrophobicContact CB-CB 4.17Å; E374-Q413 HydrophobicContact CB-CG 4.43Å; E374-Q413 HydrophobicContact CG-CB 4.02Å; E374-Q413 HydrophobicContact CG-CG 3.99Å; A409-Q413 PolarHBondContact O-N 2.84Å; Q413-I415 HydrophobicContact CB-CG2 4.27Å; Q413-I415 PolarHBondContact O-N 3.35Å; Q413-I415 VanDerWaalsContact O-N 3.12Å; Q413-V416 HydrophobicContact CB-CG2 4.24Å; Q413-V416 WeakPolarHBondContact O-CB 3.1Å; Q413-V416 WeakPolarHBondContact O-CG2 3.46Å; Q413-V416 PolarHBondContact O-N 3.48Å
414	G	98.3	Very high	97.6	Very high	48 Å²	48	29.3 Å²	29.3	50%	0.495	18%	0.18	S	C	.	.	H	α-helix	trans	-58	-27.6	-179.2	0	0	0	0	0	114.4	V416 Y417 E418	G414-V416 PolarHBondContact O-N 2.82Å; G414-Y417 WeakPolarHBondContact O-CB 3.28Å; G414-Y417 PolarHBondContact O-N 3.05Å; G414-Y417 VanDerWaalsContact O-N 3.11Å; G414-E418 PolarHBondContact O-N 2.98Å
415	I	98.5	Very high	97.5	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-62.9	-23.4	177.5	-154.3	-176	0	0	0	113.2	E374 P378 Q413 E418 T419 Y719	E374-I415 HydrophobicContact CB-CG2 3.8Å; E374-I415 WeakPolarHBondContact O-CG2 3.35Å; P378-I415 HydrophobicContact CG-CD1 3.54Å; P378-I415 HydrophobicContact CG-CG1 4.1Å; Q413-I415 HydrophobicContact CB-CG2 4.27Å; Q413-I415 PolarHBondContact O-N 3.35Å; Q413-I415 VanDerWaalsContact O-N 3.12Å; I415-E418 PolarHBondContact O-N 2.8Å; I415-T419 VanDerWaalsContact O-CB 3.31Å; I415-T419 WeakPolarHBondContact O-CB 3.42Å; I415-T419 PolarHBondContact O-N 3.25Å; I415-T419 PolarHBondContact O-OG1 3.38Å; I415-Y719 HydrophobicContact CB-CD1 3.88Å; I415-Y719 HydrophobicContact CB-CE1 3.73Å; I415-Y719 HydrophobicContact CB-CG 4.45Å; I415-Y719 HydrophobicContact CD1-CD1 4.16Å; I415-Y719 HydrophobicContact CD1-CD2 3.64Å; I415-Y719 HydrophobicContact CD1-CE1 3.99Å; I415-Y719 HydrophobicContact CD1-CE2 3.44Å; I415-Y719 VanDerWaalsContact CD1-CE2 3.44Å; I415-Y719 HydrophobicContact CD1-CG 4Å; I415-Y719 HydrophobicContact CG1-CD1 3.97Å; I415-Y719 HydrophobicContact CG1-CD2 4.19Å; I415-Y719 HydrophobicContact CG1-CE1 4.09Å; I415-Y719 HydrophobicContact CG1-CE2 4.3Å; I415-Y719 HydrophobicContact CG1-CG 4.02Å; I415-Y719 HydrophobicContact CG2-CE1 4.44Å
416	V	98.7	Very high	97.2	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.012	23%	0.226	C	C	.	.	H	α-helix	trans	-66.4	-46.7	174.5	178.5	0	0	0	0	109.9	E374 F410 Q413 G414 T419 F420 V460	E374-V416 HydrophobicContact CB-CG2 3.6Å; E374-V416 HydrophobicContact CG-CG2 3.64Å; F410-V416 HydrophobicContact CD2-CG1 3.58Å; F410-V416 HydrophobicContact CD2-CG2 4.32Å; F410-V416 HydrophobicContact CE2-CG1 3.55Å; F410-V416 HydrophobicContact CG-CG1 4.32Å; F410-V416 HydrophobicContact CZ-CG1 4.27Å; Q413-V416 HydrophobicContact CB-CG2 4.24Å; Q413-V416 WeakPolarHBondContact O-CB 3.1Å; Q413-V416 WeakPolarHBondContact O-CG2 3.46Å; Q413-V416 PolarHBondContact O-N 3.48Å; G414-V416 PolarHBondContact O-N 2.82Å; V416-T419 PolarHBondContact O-N 3.33Å; V416-F420 HydrophobicContact CG1-CD2 3.92Å; V416-F420 HydrophobicContact CG1-CE2 3.78Å; V416-F420 VanDerWaalsContact O-CD2 3.27Å; V416-F420 WeakPolarHBondContact O-CD2 3.48Å; V416-F420 PolarHBondContact O-N 2.87Å; V416-V460 HydrophobicContact CG1-CG1 3.9Å; V416-V460 HydrophobicContact CG1-CG2 4.22Å
417	Y	98.3	Very high	97	Very high	116 Å²	116	37.9 Å²	37.9	46%	0.455	23%	0.23	S	C	.	.	H	α-helix	trans	-60.7	-45.8	172.5	167.5	-84.2	0	0	0	111.2	G414 T419 F420 H421 V463	G414-Y417 WeakPolarHBondContact O-CB 3.28Å; G414-Y417 PolarHBondContact O-N 3.05Å; G414-Y417 VanDerWaalsContact O-N 3.11Å; Y417-T419 VanDerWaalsContact C-N 3.3Å; Y417-T419 PolarHBondContact O-N 2.89Å; Y417-F420 PolarHBondContact O-N 2.91Å; Y417-H421 WeakPolarHBondContact O-CB 3.38Å; Y417-H421 PolarHBondContact O-N 2.89Å; Y417-V463 HydrophobicContact CD2-CB 4.41Å; Y417-V463 HydrophobicContact CD2-CG1 4.45Å; Y417-V463 HydrophobicContact CD2-CG2 4.07Å; Y417-V463 HydrophobicContact CE2-CB 4.32Å; Y417-V463 HydrophobicContact CE2-CG2 3.54Å
418	E	98.6	Very high	97	Very high	40 Å²	40	38 Å²	38	19%	0.187	23%	0.231	C	C	.	.	H	α-helix	trans	-61.6	-39.4	178.3	-68.9	178.8	-119.1	0	0	111.8	G414 I415 H421 L422 S717 G720	G414-E418 PolarHBondContact O-N 2.98Å; I415-E418 PolarHBondContact O-N 2.8Å; E418-H421 PolarHBondContact O-N 2.88Å; E418-L422 WeakPolarHBondContact O-CG 3.49Å; E418-L422 PolarHBondContact O-N 3.03Å; E418-S717 WeakPolarHBondContact OE2-CB 3.41Å; E418-S717 PolarHBondContact OE2-OG 2.94Å; E418-G720 PolarHBondContact OE2-N 2.85Å
419	T	98.5	Very high	97	Very high	4 Å²	4	37.3 Å²	37.3	3%	0.025	22%	0.224	C	C	.	.	H	α-helix	trans	-69.7	-42.6	179.6	-55.2	0	0	0	0	111.8	D377 P378 M381 I415 V416 Y417 H421 L422	D377-T419 HydrophobicContact CB-CG2 4.13Å; P378-T419 WeakPolarHBondContact CD-OG1 3.31Å; M381-T419 HydrophobicContact CG-CG2 3.67Å; I415-T419 VanDerWaalsContact O-CB 3.31Å; I415-T419 WeakPolarHBondContact O-CB 3.42Å; I415-T419 PolarHBondContact O-N 3.25Å; I415-T419 PolarHBondContact O-OG1 3.38Å; V416-T419 PolarHBondContact O-N 3.33Å; Y417-T419 VanDerWaalsContact C-N 3.3Å; Y417-T419 PolarHBondContact O-N 2.89Å; T419-H421 VanDerWaalsContact C-N 3.31Å; T419-H421 PolarHBondContact O-N 2.64Å; T419-L422 PolarHBondContact O-N 2.89Å
420	F	98.4	Very high	97	Very high	2 Å²	2	37 Å²	37	1%	0.009	22%	0.221	C	C	.	.	H	α-helix	trans	-59.1	-42.9	169.2	-84	-61.1	0	0	0	111.4	F410 V416 Y417 L422 S423 H435 V460 A461 V463 V464 D496 V498	F410-F420 HydrophobicContact CE1-CE2 4.5Å; F410-F420 AromaticContact CE2-CE2 3.86Å; F410-F420 HydrophobicContact CE2-CE2 3.86Å; F410-F420 HydrophobicContact CE2-CZ 4.21Å; F410-F420 AromaticContact CZ-CE2 3.56Å; F410-F420 HydrophobicContact CZ-CE2 3.56Å; F410-F420 AromaticContact CZ-CZ 3.73Å; F410-F420 HydrophobicContact CZ-CZ 3.73Å; V416-F420 HydrophobicContact CG1-CD2 3.92Å; V416-F420 HydrophobicContact CG1-CE2 3.78Å; V416-F420 VanDerWaalsContact O-CD2 3.27Å; V416-F420 WeakPolarHBondContact O-CD2 3.48Å; V416-F420 PolarHBondContact O-N 2.87Å; Y417-F420 PolarHBondContact O-N 2.91Å; F420-L422 PolarHBondContact O-N 3.24Å; F420-L422 VanDerWaalsContact O-N 3.09Å; F420-S423 PolarHBondContact O-N 3.44Å; F420-S423 PolarHBondContact O-OG 3.29Å; F420-H435 AromaticContact CE1-CD2 3.75Å; F420-H435 AromaticContact CE1-CE1 3.62Å; F420-H435 AromaticContact CE1-NE2 3.3Å; F420-H435 VanDerWaalsContact CE1-NE2 3.3Å; F420-H435 WeakPolarHBondContact CE1-NE2 3.49Å; F420-H435 AromaticContact CZ-CD2 3.88Å; F420-H435 AromaticContact CZ-CE1 3.54Å; F420-H435 AromaticContact CZ-CG 3.96Å; F420-H435 AromaticContact CZ-ND1 3.76Å; F420-H435 AromaticContact CZ-NE2 3.64Å; F420-V460 HydrophobicContact CE2-CG1 4.23Å; F420-A461 HydrophobicContact CE1-CB 4.05Å; F420-A461 HydrophobicContact CE2-CB 3.86Å; F420-A461 HydrophobicContact CZ-CB 3.57Å; F420-V463 HydrophobicContact CB-CG1 3.75Å; F420-V463 HydrophobicContact CG-CG1 4.38Å; F420-V464 HydrophobicContact CB-CG1 4.44Å; F420-V464 HydrophobicContact CB-CG2 4.34Å; F420-V464 HydrophobicContact CD1-CG2 3.68Å; F420-V464 HydrophobicContact CE1-CG2 4.39Å; F420-V464 HydrophobicContact CG-CG2 4.31Å; F420-V464 VanDerWaalsContact O-CG1 3.25Å; F420-V464 WeakPolarHBondContact O-CG1 3.49Å; F420-D496 HydrophobicContact CD1-CB 4.42Å; F420-D496 WeakPolarHBondContact CD1-OD2 3.44Å; F420-D496 HydrophobicContact CE1-CB 4.05Å; F420-V498 HydrophobicContact CZ-CG2 4.26Å
421	H	96.4	Very high	96.9	Very high	79 Å²	79	38.6 Å²	38.6	37%	0.366	23%	0.228	S	C	.	.	H	α-helix	trans	-63.1	-18.4	-179.5	-171.5	64	0	0	0	113.8	Y417 E418 T419 L425	Y417-H421 WeakPolarHBondContact O-CB 3.38Å; Y417-H421 PolarHBondContact O-N 2.89Å; E418-H421 PolarHBondContact O-N 2.88Å; T419-H421 VanDerWaalsContact C-N 3.31Å; T419-H421 PolarHBondContact O-N 2.64Å; H421-L425 WeakPolarHBondContact O-CD1 3.43Å; H421-L425 WeakPolarHBondContact O-CG 3.37Å
422	L	97.1	Very high	96.8	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-84.5	-17.6	173.5	-66.2	179.1	0	0	0	114.3	E418 T419 F420 D424 L425 Y428 S715 V721 F724	E418-L422 WeakPolarHBondContact O-CG 3.49Å; E418-L422 PolarHBondContact O-N 3.03Å; T419-L422 PolarHBondContact O-N 2.89Å; F420-L422 PolarHBondContact O-N 3.24Å; F420-L422 VanDerWaalsContact O-N 3.09Å; L422-D424 PolarHBondContact O-N 2.81Å; L422-L425 HydrophobicContact CD2-CD1 3.93Å; L422-L425 PolarHBondContact O-N 2.86Å; L422-L425 VanDerWaalsContact O-N 3.16Å; L422-Y428 HydrophobicContact CD2-CD1 4.21Å; L422-Y428 HydrophobicContact CD2-CD2 4.37Å; L422-Y428 HydrophobicContact CD2-CG 4.03Å; L422-S715 WeakPolarHBondContact CD2-OG 3.49Å; L422-V721 HydrophobicContact CD2-CG2 4.17Å; L422-F724 HydrophobicContact CD1-CB 4.36Å; L422-F724 HydrophobicContact CD1-CD2 4.15Å
423	S	93.6	Very high	96.9	Very high	3 Å²	3	34.6 Å²	34.6	2%	0.021	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-22.7	-159.4	70	0	0	0	0	115.9	F420 T429 D496	F420-S423 PolarHBondContact O-N 3.44Å; F420-S423 PolarHBondContact O-OG 3.29Å; S423-T429 WeakPolarHBondContact O-CA 3.2Å; S423-T429 WeakPolarHBondContact O-CB 3.38Å; S423-T429 PolarHBondContact O-OG1 2.92Å; S423-D496 WeakPolarHBondContact CB-OD2 3.03Å; S423-D496 PolarHBondContact OG-OD2 3.46Å
424	D	92.4	Very high	96.9	Very high	90 Å²	90	30.6 Å²	30.6	48%	0.481	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	0.6	172.7	-92	-5.7	0	0	0	113.3	L422	L422-D424 PolarHBondContact O-N 2.81Å
425	L	95.9	Very high	96.9	Very high	51 Å²	51	28.6 Å²	28.6	27%	0.267	15%	0.15	S	C	.	.	S	Bend	trans	-77.3	128.9	-179.2	-59.7	-175.4	0	0	0	111.1	H421 L422 S427 Y428 T429	H421-L425 WeakPolarHBondContact O-CD1 3.43Å; H421-L425 WeakPolarHBondContact O-CG 3.37Å; L422-L425 HydrophobicContact CD2-CD1 3.93Å; L422-L425 PolarHBondContact O-N 2.86Å; L422-L425 VanDerWaalsContact O-N 3.16Å; L425-S427 VanDerWaalsContact C-N 3.3Å; L425-S427 PolarHBondContact O-N 3.08Å; L425-Y428 HydrophobicContact CB-CD2 3.94Å; L425-Y428 HydrophobicContact CD1-CD2 4.39Å; L425-Y428 PolarHBondContact O-N 3.19Å; L425-T429 WeakPolarHBondContact O-CB 3.36Å; L425-T429 PolarHBondContact O-N 3.17Å
426	P	92.7	Very high	97	Very high	112 Å²	112	28.6 Å²	28.6	73%	0.727	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53	-36.7	-167.3	-31.6	35.7	0	0	0	116.6
427	S	94.6	Very high	97	Very high	41 Å²	41	28.5 Å²	28.5	29%	0.287	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-1.9	-177.3	-51.1	0	0	0	0	114.7	L425 R668 C712	L425-S427 VanDerWaalsContact C-N 3.3Å; L425-S427 PolarHBondContact O-N 3.08Å; S427-R668 PolarHBondContact O-NH1 3.27Å; S427-R668 PolarHBondContact O-NH2 3.16Å; S427-C712 WeakPolarHBondContact OG-CB 3.5Å
428	Y	97.8	Very high	97	Very high	4 Å²	4	23.2 Å²	23.2	2%	0.016	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.6	-27.5	-174.1	-55.7	-86.7	0	0	0	113.4	L422 L425 T430 S670 S714 V721 F724	L422-Y428 HydrophobicContact CD2-CD1 4.21Å; L422-Y428 HydrophobicContact CD2-CD2 4.37Å; L422-Y428 HydrophobicContact CD2-CG 4.03Å; L425-Y428 HydrophobicContact CB-CD2 3.94Å; L425-Y428 HydrophobicContact CD1-CD2 4.39Å; L425-Y428 PolarHBondContact O-N 3.19Å; Y428-T430 PolarHBondContact O-N 3.24Å; Y428-S670 PolarHBondContact OH-OG 2.92Å; Y428-S714 WeakPolarHBondContact OH-CA 3.43Å; Y428-S714 VanDerWaalsContact OH-CB 3.24Å; Y428-S714 WeakPolarHBondContact OH-CB 3.16Å; Y428-V721 HydrophobicContact CE1-CG1 4.3Å; Y428-F724 AromaticContact CD1-CD1 3.78Å; Y428-F724 HydrophobicContact CD1-CD1 3.78Å; Y428-F724 HydrophobicContact CD1-CD2 4.32Å; Y428-F724 AromaticContact CD1-CE1 3.81Å; Y428-F724 HydrophobicContact CD1-CE1 3.81Å; Y428-F724 HydrophobicContact CD1-CE2 4.34Å; Y428-F724 HydrophobicContact CD1-CG 4.05Å; Y428-F724 HydrophobicContact CD1-CZ 4.09Å; Y428-F724 HydrophobicContact CE1-CD1 4.3Å; Y428-F724 WeakPolarHBondContact O-CE2 3.2Å; Y428-F724 VanDerWaalsContact O-CZ 3.23Å; Y428-F724 WeakPolarHBondContact O-CZ 3.25Å
429	T	97.3	Very high	97	Very high	15 Å²	15	21.8 Å²	21.8	9%	0.092	12%	0.122	C	C	.	.			trans	-51.8	127.5	-177	178.3	0	0	0	0	112.9	K385 S423 L425 H431	K385-T429 VanDerWaalsContact CD-O 3.25Å; K385-T429 WeakPolarHBondContact CD-O 3.45Å; K385-T429 WeakPolarHBondContact CE-O 3.22Å; K385-T429 PolarHBondContact NZ-O 3.23Å; S423-T429 WeakPolarHBondContact O-CA 3.2Å; S423-T429 WeakPolarHBondContact O-CB 3.38Å; S423-T429 PolarHBondContact O-OG1 2.92Å; L425-T429 WeakPolarHBondContact O-CB 3.36Å; L425-T429 PolarHBondContact O-N 3.17Å; T429-H431 VanDerWaalsContact C-N 3.32Å; T429-H431 PolarHBondContact OG1-N 3.36Å
430	T	96.9	Very high	96.9	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.125	C	C	.	.			trans	-94.5	12.3	173.4	55.9	0	0	0	0	112.4	M381 T384 K385 Q388 S401 Y428 G432 R490	M381-T430 HydrophobicContact CB-CG2 4.16Å; M381-T430 HydrophobicContact CE-CG2 3.93Å; M381-T430 WeakPolarHBondContact CE-OG1 3.35Å; M381-T430 VanDerWaalsContact O-CG2 3.28Å; M381-T430 WeakPolarHBondContact O-CG2 3.47Å; M381-T430 HydrophobicContact SD-CG2 3.81Å; M381-T430 PolarHBondContact SD-OG1 3.13Å; T384-T430 HydrophobicContact CG2-CG2 3.87Å; K385-T430 HydrophobicContact CB-CG2 4.39Å; Q388-T430 PolarHBondContact NE2-O 2.84Å; S401-T430 PolarHBondContact OG-OG1 2.72Å; Y428-T430 PolarHBondContact O-N 3.24Å; T430-G432 VanDerWaalsContact C-N 3.31Å; T430-R490 PolarHBondContact O-NH2 3.04Å; T430-R490 VanDerWaalsContact O-NH2 3.08Å
431	H	97	Very high	96.8	Very high	34 Å²	34	23.1 Å²	23.1	16%	0.157	13%	0.129	C	C	.	.	S	Bend	trans	56.9	45.4	-174.4	-53.5	-87.8	0	0	0	111.9	K385 T429 R490 H494	K385-H431 PolarHBondContact NZ-NE2 3.16Å; T429-H431 VanDerWaalsContact C-N 3.32Å; T429-H431 PolarHBondContact OG1-N 3.36Å; H431-R490 VanDerWaalsContact O-CZ 3.27Å; H431-R490 PolarHBondContact O-NE 2.93Å; H431-R490 PolarHBondContact O-NH2 3.02Å; H431-H494 VanDerWaalsContact C-C 3.44Å; H431-H494 CarbonylContact C-O 3.47Å; H431-H494 WeakPolarHBondContact CA-O 3.33Å; H431-H494 HydrophobicContact CB-CB 4.01Å; H431-H494 CarbonylContact O-C 3.58Å; H431-H494 WeakPolarHBondContact O-CA 3.39Å
432	G	96.6	Very high	96.8	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.01	11%	0.112	C	C	.	.			trans	86.9	138.3	173.7	0	0	0	0	0	115.4	T430 R490 H494 K495 D496	T430-G432 VanDerWaalsContact C-N 3.31Å; G432-R490 WeakPolarHBondContact O-CG 3.35Å; G432-R490 PolarHBondContact O-NE 2.88Å; G432-H494 PolarHBondContact N-O 2.96Å; G432-H494 VanDerWaalsContact N-O 3.14Å; G432-K495 WeakPolarHBondContact CA-O 3.43Å; G432-D496 WeakPolarHBondContact CA-OD1 3.44Å
433	T	98.6	Very high	96.8	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	141	178.2	-57.2	0	0	0	0	110.7	M381 S401 L403 H435 D496 V497	M381-T433 PolarHBondContact SD-OG1 2.83Å; S401-T433 PolarHBondContact OG-OG1 3.01Å; L403-T433 HydrophobicContact CB-CG2 4.22Å; L403-T433 HydrophobicContact CD1-CG2 4.02Å; L403-T433 HydrophobicContact CG-CG2 3.9Å; T433-H435 WeakPolarHBondContact CB-NE2 3.32Å; T433-H435 PolarHBondContact O-CD2 3.15Å; T433-D496 WeakPolarHBondContact CB-OD1 3.39Å; T433-D496 PolarHBondContact N-OD1 3.25Å; T433-D496 VanDerWaalsContact O-CA 3.29Å; T433-D496 WeakPolarHBondContact O-CA 3.49Å; T433-D496 PolarHBondContact OG1-OD1 2.95Å; T433-V497 PolarHBondContact O-N 2.82Å
434	V	98.9	Very high	96.9	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	111.4	168.9	-177	0	0	0	0	108.7	I289 M400 S401 I402 L403 V436 A486 R490 V497	I289-V434 HydrophobicContact CD1-CG1 3.81Å; I289-V434 HydrophobicContact CG1-CG1 4.4Å; I289-V434 HydrophobicContact CG2-CB 4.37Å; I289-V434 HydrophobicContact CG2-CG1 4.24Å; I289-V434 HydrophobicContact CG2-CG2 4.28Å; M400-V434 HydrophobicContact CE-CB 4.29Å; M400-V434 HydrophobicContact CE-CG2 3.63Å; S401-V434 PolarHBondContact O-N 3.38Å; I402-V434 VanDerWaalsContact CA-O 3.3Å; I402-V434 WeakPolarHBondContact CA-O 3.3Å; I402-V434 HydrophobicContact CG1-CB 4.45Å; I402-V434 WeakPolarHBondContact CG2-O 3.33Å; L403-V434 PolarHBondContact N-O 2.98Å; V434-V436 HydrophobicContact CG1-CG2 4.39Å; V434-A486 HydrophobicContact CG1-CB 4.16Å; V434-R490 HydrophobicContact CG2-CB 4Å; V434-R490 HydrophobicContact CG2-CG 4.25Å; V434-V497 HydrophobicContact CB-CG1 4.45Å; V434-V497 HydrophobicContact CG1-CG1 4.43Å; V434-V497 HydrophobicContact CG2-CG1 4Å
435	H	98.9	Very high	97.1	Very high	5 Å²	5	23.2 Å²	23.2	2%	0.023	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	135.8	176.9	-61.8	-100.9	0	0	0	110.1	L403 H405 F420 T433 V497 V498 V499	L403-H435 CarbonylContact O-C 3.53Å; L403-H435 WeakPolarHBondContact O-CA 3.12Å; H405-H435 AromaticContact CE1-ND1 3.8Å; H405-H435 AromaticContact NE2-CG 3.76Å; H405-H435 AromaticContact NE2-ND1 2.96Å; H405-H435 PolarHBondContact NE2-ND1 3.14Å; F420-H435 AromaticContact CE1-CD2 3.75Å; F420-H435 AromaticContact CE1-CE1 3.62Å; F420-H435 AromaticContact CE1-NE2 3.3Å; F420-H435 VanDerWaalsContact CE1-NE2 3.3Å; F420-H435 WeakPolarHBondContact CE1-NE2 3.49Å; F420-H435 AromaticContact CZ-CD2 3.88Å; F420-H435 AromaticContact CZ-CE1 3.54Å; F420-H435 AromaticContact CZ-CG 3.96Å; F420-H435 AromaticContact CZ-ND1 3.76Å; F420-H435 AromaticContact CZ-NE2 3.64Å; T433-H435 WeakPolarHBondContact CB-NE2 3.32Å; T433-H435 PolarHBondContact O-CD2 3.15Å; H435-V497 PolarHBondContact N-O 3.46Å; H435-V498 HydrophobicContact CB-CB 4.43Å; H435-V498 HydrophobicContact CB-CG1 4.26Å; H435-V498 HydrophobicContact CB-CG2 4.16Å; H435-V499 PolarHBondContact O-N 2.91Å
436	V	98.9	Very high	97.1	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	103.3	179.8	-175.4	0	0	0	0	109.2	L282 L286 I289 I402 L403 L404 H405 V434 V499 L501	L282-V436 HydrophobicContact CD1-CG1 3.76Å; L286-V436 HydrophobicContact CD2-CG2 4.43Å; I289-V436 HydrophobicContact CD1-CG2 3.83Å; I402-V436 HydrophobicContact CG2-CG2 4.36Å; L403-V436 PolarHBondContact O-N 2.87Å; L404-V436 VanDerWaalsContact CA-O 3.28Å; L404-V436 WeakPolarHBondContact CA-O 3.47Å; L404-V436 HydrophobicContact CG-CB 4.39Å; H405-V436 PolarHBondContact N-O 3.45Å; V434-V436 HydrophobicContact CG1-CG2 4.39Å; V436-V499 WeakPolarHBondContact CA-O 3.48Å; V436-L501 HydrophobicContact CG1-CD1 3.54Å; V436-L501 HydrophobicContact CG1-CG 3.96Å
437	V	98.9	Very high	97	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	119.1	-179.4	-173.4	0	0	0	0	109.2	H405 D407 F410 N439 T458 V498 V499 L501	H405-V437 HydrophobicContact CB-CG2 4.35Å; D407-V437 HydrophobicContact CB-CG1 4.4Å; F410-V437 HydrophobicContact CD1-CG2 3.66Å; F410-V437 HydrophobicContact CD2-CG2 4.36Å; F410-V437 HydrophobicContact CE1-CG2 3.75Å; F410-V437 HydrophobicContact CE2-CG2 4.43Å; F410-V437 HydrophobicContact CG-CG2 3.97Å; F410-V437 HydrophobicContact CZ-CG2 4.12Å; V437-N439 HydrophobicContact CG1-CB 4.23Å; V437-N439 PolarHBondContact O-N 3.4Å; V437-T458 HydrophobicContact CG2-CG2 4.01Å; V437-V498 HydrophobicContact CG2-CG1 3.92Å; V437-V499 PolarHBondContact N-O 3.32Å; V437-L501 WeakPolarHBondContact O-CB 3.44Å; V437-L501 PolarHBondContact O-N 3.47Å
438	V	98.7	Very high	96.7	Very high	5 Å²	5	19.1 Å²	19.1	3%	0.03	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	72.8	175.3	-175.7	0	0	0	0	108.3	C279 L282 R308 H405 N440	C279-V438 HydrophobicContact CB-CG1 4.16Å; L282-V438 HydrophobicContact CD1-CG2 4.25Å; L282-V438 HydrophobicContact CD2-CG2 3.98Å; R308-V438 HydrophobicContact CG-CG1 4.03Å; H405-V438 PolarHBondContact O-N 2.86Å; V438-N440 VanDerWaalsContact C-N 3.32Å; V438-N440 PolarHBondContact O-N 2.86Å; V438-N440 PolarHBondContact O-ND2 2.82Å
439	N	98.2	Very high	96.2	Very high	10 Å²	10	26.3 Å²	26.3	5%	0.053	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	82.3	-172.5	178.8	4.9	0	0	0	111.3	D407 V437 Q441 D500 L501 C503	D407-N439 HydrophobicContact CB-CB 4.08Å; D407-N439 WeakPolarHBondContact OD1-CA 3.49Å; V437-N439 HydrophobicContact CG1-CB 4.23Å; V437-N439 PolarHBondContact O-N 3.4Å; N439-Q441 PolarHBondContact O-N 3.46Å; N439-D500 WeakPolarHBondContact CB-OD1 3.3Å; N439-D500 PolarHBondContact ND2-OD1 3.08Å; N439-D500 PolarHBondContact ND2-OD2 2.89Å; N439-D500 VanDerWaalsContact ND2-OD2 3.15Å; N439-L501 PolarHBondContact N-O 3.44Å; N439-L501 VanDerWaalsContact N-O 3.09Å; N439-C503 PolarHBondContact O-N 3.36Å; N439-C503 PolarHBondContact O-SG 3.23Å
440	N	97.4	Very high	95.9	Very high	13 Å²	13	33 Å²	33	7%	0.07	17%	0.165	C	C	.	.			trans	-88.9	6.6	-175.3	66.5	114	0	0	0	112.5	R308 D407 V438 I442 C503 R505 M522	R308-N440 PolarHBondContact NH1-OD1 2.99Å; D407-N440 PolarHBondContact OD1-N 3.44Å; D407-N440 PolarHBondContact OD1-ND2 2.87Å; V438-N440 VanDerWaalsContact C-N 3.32Å; V438-N440 PolarHBondContact O-N 2.86Å; V438-N440 PolarHBondContact O-ND2 2.82Å; N440-I442 VanDerWaalsContact C-N 3.31Å; N440-I442 WeakPolarHBondContact O-CG2 3.36Å; N440-I442 PolarHBondContact O-N 2.84Å; N440-I442 WeakPolarHBondContact OD1-CG2 2.9Å; N440-I442 PolarHBondContact OD1-O 2.98Å; N440-C503 VanDerWaalsContact CA-SG 3.5Å; N440-C503 PolarHBondContact N-SG 3.32Å; N440-R505 HydrophobicContact CB-CB 4.33Å; N440-M522 WeakPolarHBondContact O-CE 3.37Å
441	Q	96.5	Very high	95.6	Very high	22 Å²	22	34.3 Å²	34.3	10%	0.103	18%	0.175	C	C	.	.	S	Bend	trans	64.3	27.5	174.1	-50.3	177.8	66.9	0	0	113.8	D148 N439 P448 C503 M522	D148-Q441 PolarHBondContact OD1-NE2 2.95Å; N439-Q441 PolarHBondContact O-N 3.46Å; Q441-P448 HydrophobicContact CB-CG 4.15Å; Q441-P448 WeakPolarHBondContact O-CD 3.14Å; Q441-P448 WeakPolarHBondContact O-CG 3.36Å; Q441-C503 PolarHBondContact NE2-O 2.79Å; Q441-M522 HydrophobicContact CB-CE 3.97Å
442	I	96.2	Very high	95.4	Very high	3 Å²	3	34.9 Å²	34.9	2%	0.015	18%	0.176	C	C	.	.			trans	-164.7	115.3	179.6	179.1	170.7	0	0	0	113.5	D407 N440 F444 R505 Q519 M522 Y523	D407-I442 PolarHBondContact OD2-N 2.8Å; N440-I442 VanDerWaalsContact C-N 3.31Å; N440-I442 WeakPolarHBondContact O-CG2 3.36Å; N440-I442 PolarHBondContact O-N 2.84Å; N440-I442 WeakPolarHBondContact OD1-CG2 2.9Å; N440-I442 PolarHBondContact OD1-O 2.98Å; I442-F444 WeakPolarHBondContact CD1-O 3.16Å; I442-F444 WeakPolarHBondContact CG1-O 3.34Å; I442-F444 PolarHBondContact O-N 3.26Å; I442-R505 PolarHBondContact O-NH1 3.27Å; I442-Q519 HydrophobicContact CD1-CB 4.35Å; I442-Q519 HydrophobicContact CD1-CG 3.86Å; I442-M522 HydrophobicContact CB-CE 4.18Å; I442-M522 HydrophobicContact CB-SD 4.36Å; I442-M522 HydrophobicContact CG2-CE 3.78Å; I442-M522 HydrophobicContact CG2-SD 4.38Å; I442-Y523 HydrophobicContact CD1-CE2 4.21Å
443	G	96.1	Very high	95.2	Very high	18 Å²	18	41.4 Å²	41.4	19%	0.186	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-89.2	99.1	172.9	0	0	0	0	0	112.1	T445 T446	G443-T445 PolarHBondContact O-N 3.44Å; G443-T446 PolarHBondContact N-O 2.74Å; G443-T446 VanDerWaalsContact O-CB 3.3Å; G443-T446 WeakPolarHBondContact O-CB 3.13Å; G443-T446 PolarHBondContact O-N 2.93Å; G443-T446 PolarHBondContact O-OG1 2.89Å
444	F	96.7	Very high	94.9	Very high	106 Å²	106	43.6 Å²	43.6	47%	0.465	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	-92.2	-168.7	-165.6	-84.1	0	0	0	111.5	I442 R505 H509	I442-F444 WeakPolarHBondContact CD1-O 3.16Å; I442-F444 WeakPolarHBondContact CG1-O 3.34Å; I442-F444 PolarHBondContact O-N 3.26Å; F444-R505 PolarHBondContact O-NH2 2.86Å; F444-H509 HydrophobicContact CD2-CB 3.91Å; F444-H509 AromaticContact CD2-CD2 3.11Å; F444-H509 WeakPolarHBondContact CD2-CD2 3.16Å; F444-H509 AromaticContact CD2-CG 3.43Å; F444-H509 VanDerWaalsContact CD2-CG 3.43Å; F444-H509 AromaticContact CD2-NE2 3.69Å; F444-H509 HydrophobicContact CE2-CB 4.17Å; F444-H509 AromaticContact CE2-CD2 3.35Å; F444-H509 WeakPolarHBondContact CE2-CD2 3.35Å; F444-H509 AromaticContact CE2-CG 3.92Å; F444-H509 HydrophobicContact CG-CB 4.25Å
445	T	96.7	Very high	94.4	Very high	47 Å²	47	46.1 Å²	46.1	29%	0.288	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.2	8.8	172.9	56.9	0	0	0	0	112.5	G443 T518 Q519	G443-T445 PolarHBondContact O-N 3.44Å; T445-T518 WeakPolarHBondContact CB-OG1 3.13Å; T445-T518 HydrophobicContact CG2-CG2 4.32Å; T445-T518 WeakPolarHBondContact CG2-OG1 3.5Å; T445-Q519 PolarHBondContact O-NE2 2.87Å; T445-Q519 PolarHBondContact O-OE1 3.47Å
446	T	95.8	Very high	94.2	Very high	63 Å²	63	46.6 Å²	46.6	39%	0.387	26%	0.255	S	S	.	.	B	Isolated β-bridge	trans	-87.8	125.3	178.7	-56.4	0	0	0	0	109.8	G443 M450 A451	G443-T446 PolarHBondContact N-O 2.74Å; G443-T446 VanDerWaalsContact O-CB 3.3Å; G443-T446 WeakPolarHBondContact O-CB 3.13Å; G443-T446 PolarHBondContact O-N 2.93Å; G443-T446 PolarHBondContact O-OG1 2.89Å; T446-M450 HydrophobicContact CG2-CB 4.07Å; T446-A451 HydrophobicContact CG2-CB 4.13Å
447	D	90.5	Very high	94.1	Very high	35 Å²	35	46.6 Å²	46.6	19%	0.187	26%	0.255	C	S	.	.			trans	-72.3	144.5	176.3	-174.8	-75.3	0	0	0	111.2	R449 M450 A451	D447-R449 PolarHBondContact O-N 3.35Å; D447-R449 WeakPolarHBondContact OD1-CB 3.46Å; D447-R449 WeakPolarHBondContact OD1-CG 3.23Å; D447-R449 IonicContact OD1-CZ 2.9Å; D447-R449 PolarHBondContact OD1-N 2.94Å; D447-R449 IonicContact OD1-NE 3.96Å; D447-R449 PolarHBondContact OD1-NE 3Å; D447-R449 IonicContact OD1-NH2 3.81Å; D447-R449 PolarHBondContact OD1-NH2 3.04Å; D447-R449 IonicContact OD2-CZ 2.98Å; D447-R449 IonicContact OD2-NE 2.89Å; D447-R449 IonicContact OD2-NH2 2.89Å; D447-R449 PolarHBondContact OD2-NH2 3.26Å; D447-M450 WeakPolarHBondContact O-CA 3.41Å; D447-M450 PolarHBondContact O-N 3.27Å; D447-A451 PolarHBondContact O-N 3.1Å
448	P	88.6	Confident	94	Very high	20 Å²	20	46.6 Å²	46.6	13%	0.13	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-50.3	-34.2	179.4	-31.8	38	0	0	0	114.8	Q441 M450 A451	Q441-P448 HydrophobicContact CB-CG 4.15Å; Q441-P448 WeakPolarHBondContact O-CD 3.14Å; Q441-P448 WeakPolarHBondContact O-CG 3.36Å; P448-M450 PolarHBondContact O-N 3.34Å; P448-A451 PolarHBondContact O-N 3.19Å
449	R	87	Confident	93.9	Very high	155 Å²	155	47.5 Å²	47.5	59%	0.585	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-65.5	-14.5	177.3	-66.6	168.6	-74.9	-168.5	-5.4	114.2	C154 D447	C154-R449 WeakPolarHBondContact SG-CD 3.34Å; C154-R449 VanDerWaalsContact SG-CG 3.58Å; C154-R449 PolarHBondContact SG-NE 3.09Å; D447-R449 PolarHBondContact O-N 3.35Å; D447-R449 WeakPolarHBondContact OD1-CB 3.46Å; D447-R449 WeakPolarHBondContact OD1-CG 3.23Å; D447-R449 IonicContact OD1-CZ 2.9Å; D447-R449 PolarHBondContact OD1-N 2.94Å; D447-R449 IonicContact OD1-NE 3.96Å; D447-R449 PolarHBondContact OD1-NE 3Å; D447-R449 IonicContact OD1-NH2 3.81Å; D447-R449 PolarHBondContact OD1-NH2 3.04Å; D447-R449 IonicContact OD2-CZ 2.98Å; D447-R449 IonicContact OD2-NE 2.89Å; D447-R449 IonicContact OD2-NH2 2.89Å; D447-R449 PolarHBondContact OD2-NH2 3.26Å
450	M	90.8	Very high	93.9	Very high	156 Å²	156	48.7 Å²	48.7	77%	0.768	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-118.7	3	-179.1	-57	-64.9	172.5	0	0	112.1	T446 D447 P448	T446-M450 HydrophobicContact CG2-CB 4.07Å; D447-M450 WeakPolarHBondContact O-CA 3.41Å; D447-M450 PolarHBondContact O-N 3.27Å; P448-M450 PolarHBondContact O-N 3.34Å
451	A	91.2	Very high	93.9	Very high	27 Å²	27	48.1 Å²	48.1	22%	0.223	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-18.1	-174.5	0	0	0	0	0	114	A408 T446 D447 P448	A408-A451 HydrophobicContact CB-CB 4.4Å; T446-A451 HydrophobicContact CG2-CB 4.13Å; D447-A451 PolarHBondContact O-N 3.1Å; P448-A451 PolarHBondContact O-N 3.19Å
452	R	92.7	Very high	93.9	Very high	47 Å²	47	50.9 Å²	50.9	18%	0.177	27%	0.274	C	S	.	.			trans	-158.5	167.4	-174.5	60.5	176.2	-179.9	-93.4	2.4	112	A411 S454 P455 Y456	A411-R452 HydrophobicContact CB-CB 4.05Å; R452-S454 VanDerWaalsContact CD-O 3.25Å; R452-S454 WeakPolarHBondContact CD-O 3.43Å; R452-S454 WeakPolarHBondContact CG-O 3.43Å; R452-S454 PolarHBondContact NE-O 3.34Å; R452-P455 PolarHBondContact NE-O 3.12Å; R452-P455 PolarHBondContact NH2-O 3.11Å; R452-Y456 WeakPolarHBondContact CD-O 3.43Å; R452-Y456 VanDerWaalsContact NE-C 3.29Å
453	S	92.3	Very high	93.8	Very high	137 Å²	137	53.6 Å²	53.6	96%	0.958	29%	0.29	S	S	*	.	S	Bend	trans	-103.1	16.3	-179.4	-54	0	0	0	0	114.2
454	S	91.3	Very high	93.8	Very high	46 Å²	46	54.1 Å²	54.1	32%	0.322	29%	0.289	S	S	.	.	S	Bend	trans	-146	162.6	-172	70.3	0	0	0	0	112.3	R452 Y456 D459	R452-S454 VanDerWaalsContact CD-O 3.25Å; R452-S454 WeakPolarHBondContact CD-O 3.43Å; R452-S454 WeakPolarHBondContact CG-O 3.43Å; R452-S454 PolarHBondContact NE-O 3.34Å; S454-Y456 PolarHBondContact O-N 2.98Å; S454-Y456 PolarHBondContact OG-O 3.06Å; S454-D459 WeakPolarHBondContact CB-OD2 3.43Å; S454-D459 WeakPolarHBondContact OG-CB 3.23Å; S454-D459 PolarHBondContact OG-OD2 3.19Å
455	P	88.8	Confident	93.8	Very high	53 Å²	53	51.8 Å²	51.8	34%	0.344	28%	0.282	S	S	.	.	S	Bend	trans	-58.7	-44	-173.9	-26.4	36.3	0	0	0	114.1	V155 F157 R452	V155-P455 HydrophobicContact CG1-CB 3.89Å; F157-P455 HydrophobicContact CE1-CB 3.9Å; F157-P455 HydrophobicContact CE1-CG 4.14Å; F157-P455 HydrophobicContact CZ-CB 4.04Å; R452-P455 PolarHBondContact NE-O 3.12Å; R452-P455 PolarHBondContact NH2-O 3.11Å
456	Y	94.8	Very high	93.8	Very high	15 Å²	15	49.7 Å²	49.7	6%	0.059	27%	0.269	C	S	.	.	S	Bend	trans	-114.3	149.9	-174.9	-57.6	-75.2	0	0	0	111.4	H142 L147 F157 R452 S454 T458 D459 H470	H142-Y456 AromaticContact ND1-CE2 3.61Å; H142-Y456 AromaticContact ND1-CZ 3.65Å; H142-Y456 PolarHBondContact ND1-OH 3.39Å; H142-Y456 PolarHBondContact O-OH 3.36Å; H142-Y456 VanDerWaalsContact O-OH 3.05Å; L147-Y456 HydrophobicContact CD1-CE1 4.33Å; F157-Y456 HydrophobicContact CZ-CE2 4.26Å; F157-Y456 AromaticContact CZ-CZ 3.98Å; R452-Y456 WeakPolarHBondContact CD-O 3.43Å; R452-Y456 VanDerWaalsContact NE-C 3.29Å; S454-Y456 PolarHBondContact O-N 2.98Å; S454-Y456 PolarHBondContact OG-O 3.06Å; Y456-T458 WeakPolarHBondContact CB-OG1 3.34Å; Y456-T458 PolarHBondContact O-N 3.19Å; Y456-D459 PolarHBondContact N-OD2 3.05Å; Y456-H470 AromaticContact CD1-CE1 3.33Å; Y456-H470 WeakPolarHBondContact CD1-CE1 3.46Å; Y456-H470 AromaticContact CD1-ND1 3.67Å; Y456-H470 AromaticContact CD2-CE1 3.89Å; Y456-H470 AromaticContact CE1-CE1 3.72Å; Y456-H470 AromaticContact CE1-ND1 3.93Å; Y456-H470 AromaticContact CG-CE1 3.42Å; Y456-H470 VanDerWaalsContact CG-CE1 3.42Å
457	P	96.2	Very high	94	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.006	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-65.6	-20	173.3	29.3	-33.7	0	0	0	112.1	D407 F410 A411 D459	D407-P457 HydrophobicContact CB-CB 3.84Å; D407-P457 HydrophobicContact CB-CG 3.9Å; D407-P457 VanDerWaalsContact O-CB 3.32Å; D407-P457 WeakPolarHBondContact O-CB 3.18Å; F410-P457 WeakPolarHBondContact CD1-O 3.34Å; A411-P457 HydrophobicContact CB-CB 4.24Å; P457-D459 PolarHBondContact O-N 2.95Å
458	T	98.1	Very high	94.3	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-82.3	-5	-174.4	47.3	0	0	0	0	115.5	F410 V437 Y456 V460 A461 I468 H470 V498 D500	F410-T458 HydrophobicContact CD1-CG2 4.39Å; F410-T458 HydrophobicContact CE1-CG2 4.13Å; V437-T458 HydrophobicContact CG2-CG2 4.01Å; Y456-T458 WeakPolarHBondContact CB-OG1 3.34Å; Y456-T458 PolarHBondContact O-N 3.19Å; T458-V460 PolarHBondContact O-N 3.31Å; T458-A461 WeakPolarHBondContact O-CB 3.47Å; T458-A461 PolarHBondContact O-N 3.15Å; T458-I468 HydrophobicContact CG2-CG2 4.06Å; T458-I468 WeakPolarHBondContact OG1-CG2 3.48Å; T458-H470 PolarHBondContact OG1-CE1 3.31Å; T458-V498 HydrophobicContact CG2-CG1 3.6Å; T458-D500 HydrophobicContact CG2-CB 3.87Å
459	D	96.8	Very high	94.8	Very high	24 Å²	24	44 Å²	44	13%	0.128	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-60.8	-20.9	-171.9	-69.7	-39.4	0	0	0	114.2	S454 Y456 P457 A461 R462	S454-D459 WeakPolarHBondContact CB-OD2 3.43Å; S454-D459 WeakPolarHBondContact OG-CB 3.23Å; S454-D459 PolarHBondContact OG-OD2 3.19Å; Y456-D459 PolarHBondContact N-OD2 3.05Å; P457-D459 PolarHBondContact O-N 2.95Å; D459-A461 VanDerWaalsContact C-N 3.26Å; D459-A461 PolarHBondContact O-N 3.14Å; D459-R462 WeakPolarHBondContact O-CB 3.35Å; D459-R462 WeakPolarHBondContact O-CG 3.37Å; D459-R462 PolarHBondContact O-N 2.9Å; D459-R462 IonicContact OD1-CZ 2.85Å; D459-R462 IonicContact OD1-NE 2.71Å; D459-R462 PolarHBondContact OD1-NE 3.07Å; D459-R462 IonicContact OD1-NH2 2.83Å; D459-R462 PolarHBondContact OD1-NH2 3.03Å
460	V	96.9	Very high	95.4	Very high	35 Å²	35	36.7 Å²	36.7	21%	0.212	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-56.8	-36.4	171.8	63.4	0	0	0	0	112.7	F410 V416 F420 T458 R462 V463	F410-V460 HydrophobicContact CD1-CG1 3.88Å; F410-V460 HydrophobicContact CE1-CG1 3.7Å; F410-V460 HydrophobicContact CG-CG1 4.44Å; F410-V460 HydrophobicContact CZ-CG1 4.12Å; V416-V460 HydrophobicContact CG1-CG1 3.9Å; V416-V460 HydrophobicContact CG1-CG2 4.22Å; F420-V460 HydrophobicContact CE2-CG1 4.23Å; T458-V460 PolarHBondContact O-N 3.31Å; V460-R462 PolarHBondContact O-N 2.72Å; V460-V463 WeakPolarHBondContact O-CB 3.39Å; V460-V463 WeakPolarHBondContact O-CG1 3.42Å; V460-V463 PolarHBondContact O-N 2.71Å
461	A	97.7	Very high	95.8	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-69.8	-15.2	-176.5	0	0	0	0	0	113.6	F420 T458 D459 V463 V464 A466 V498	F420-A461 HydrophobicContact CE1-CB 4.05Å; F420-A461 HydrophobicContact CE2-CB 3.86Å; F420-A461 HydrophobicContact CZ-CB 3.57Å; T458-A461 WeakPolarHBondContact O-CB 3.47Å; T458-A461 PolarHBondContact O-N 3.15Å; D459-A461 VanDerWaalsContact C-N 3.26Å; D459-A461 PolarHBondContact O-N 3.14Å; A461-V463 PolarHBondContact O-N 2.84Å; A461-V463 VanDerWaalsContact O-N 3.14Å; A461-V464 PolarHBondContact O-N 2.81Å; A461-A466 HydrophobicContact CB-CB 4.34Å; A461-A466 PolarHBondContact O-N 3.36Å; A461-V498 HydrophobicContact CB-CG2 3.47Å; A461-V498 VanDerWaalsContact CB-CG2 3.47Å
462	R	95.9	Very high	96.1	Very high	81 Å²	81	28.5 Å²	28.5	31%	0.306	16%	0.164	S	C	.	.	G	3₁₀ helix	trans	-61.4	-19.1	173.5	-57.9	-177.4	-163.5	-113	12.4	112.2	E217 F220 D459 V460 V464 N465 I468	E217-R462 IonicContact OE1-CZ 3.11Å; E217-R462 IonicContact OE1-NH1 3.46Å; E217-R462 IonicContact OE1-NH2 2.68Å; E217-R462 PolarHBondContact OE1-NH2 3.06Å; E217-R462 IonicContact OE2-CZ 3.55Å; E217-R462 IonicContact OE2-NH1 3.86Å; E217-R462 PolarHBondContact OE2-NH1 3.21Å; E217-R462 IonicContact OE2-NH2 2.71Å; E217-R462 PolarHBondContact OE2-NH2 3.06Å; F220-R462 HydrophobicContact CD1-CG 4.42Å; F220-R462 HydrophobicContact CE1-CG 4.04Å; F220-R462 HydrophobicContact CZ-CG 4.18Å; D459-R462 WeakPolarHBondContact O-CB 3.35Å; D459-R462 WeakPolarHBondContact O-CG 3.37Å; D459-R462 PolarHBondContact O-N 2.9Å; D459-R462 IonicContact OD1-CZ 2.85Å; D459-R462 IonicContact OD1-NE 2.71Å; D459-R462 PolarHBondContact OD1-NE 3.07Å; D459-R462 IonicContact OD1-NH2 2.83Å; D459-R462 PolarHBondContact OD1-NH2 3.03Å; V460-R462 PolarHBondContact O-N 2.72Å; R462-V464 VanDerWaalsContact C-N 3.29Å; R462-V464 PolarHBondContact O-N 2.89Å; R462-N465 PolarHBondContact O-N 3.1Å; R462-I468 HydrophobicContact CG-CD1 4.19Å
463	V	95.6	Very high	96.4	Very high	59 Å²	59	26.5 Å²	26.5	36%	0.358	16%	0.157	S	C	.	.	G	3₁₀ helix	trans	-56.2	-37.9	177.7	68.2	0	0	0	0	113.5	Y417 F420 V460 A461	Y417-V463 HydrophobicContact CD2-CB 4.41Å; Y417-V463 HydrophobicContact CD2-CG1 4.45Å; Y417-V463 HydrophobicContact CD2-CG2 4.07Å; Y417-V463 HydrophobicContact CE2-CB 4.32Å; Y417-V463 HydrophobicContact CE2-CG2 3.54Å; F420-V463 HydrophobicContact CB-CG1 3.75Å; F420-V463 HydrophobicContact CG-CG1 4.38Å; V460-V463 WeakPolarHBondContact O-CB 3.39Å; V460-V463 WeakPolarHBondContact O-CG1 3.42Å; V460-V463 PolarHBondContact O-N 2.71Å; A461-V463 PolarHBondContact O-N 2.84Å; A461-V463 VanDerWaalsContact O-N 3.14Å
464	V	95.4	Very high	96.6	Very high	29 Å²	29	21 Å²	21	18%	0.176	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-101.2	5.5	175.5	-72.2	0	0	0	0	112.9	F420 A461 R462 A466	F420-V464 HydrophobicContact CB-CG1 4.44Å; F420-V464 HydrophobicContact CB-CG2 4.34Å; F420-V464 HydrophobicContact CD1-CG2 3.68Å; F420-V464 HydrophobicContact CE1-CG2 4.39Å; F420-V464 HydrophobicContact CG-CG2 4.31Å; F420-V464 VanDerWaalsContact O-CG1 3.25Å; F420-V464 WeakPolarHBondContact O-CG1 3.49Å; A461-V464 PolarHBondContact O-N 2.81Å; R462-V464 VanDerWaalsContact C-N 3.29Å; R462-V464 PolarHBondContact O-N 2.89Å; V464-A466 VanDerWaalsContact C-N 3.26Å; V464-A466 HydrophobicContact CG2-CB 4.05Å; V464-A466 PolarHBondContact O-N 3.06Å
465	N	96.1	Very high	96.9	Very high	57 Å²	57	20.7 Å²	20.7	31%	0.305	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	33.7	-171.3	-44.1	-94.3	0	0	0	113.2	F220 I221 R462	F220-N465 HydrophobicContact CD2-CB 4.16Å; F220-N465 HydrophobicContact CE2-CB 4.34Å; F220-N465 PolarHBondContact O-OD1 3.45Å; I221-N465 HydrophobicContact CG1-CB 4.23Å; I221-N465 WeakPolarHBondContact CG1-O 3.39Å; R462-N465 PolarHBondContact O-N 3.1Å
466	A	97.9	Very high	97.4	Very high	3 Å²	3	18.4 Å²	18.4	3%	0.025	10%	0.096	C	C	.	.			trans	-65.6	131.3	171.2	0	0	0	0	0	109.8	F220 A461 V464 D496	F220-A466 WeakPolarHBondContact CE2-O 3.41Å; F220-A466 WeakPolarHBondContact CZ-O 3.27Å; A461-A466 HydrophobicContact CB-CB 4.34Å; A461-A466 PolarHBondContact O-N 3.36Å; V464-A466 VanDerWaalsContact C-N 3.26Å; V464-A466 HydrophobicContact CG2-CB 4.05Å; V464-A466 PolarHBondContact O-N 3.06Å; A466-D496 HydrophobicContact CB-CB 4Å
467	P	98.5	Very high	97.5	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.098	C	C	.	.			trans	-65.8	146.6	174.5	25.9	-32.3	0	0	0	111	I221 I230 F469 W489 V497 V498	I221-P467 HydrophobicContact CD1-CB 3.94Å; I221-P467 HydrophobicContact CD1-CG 4.3Å; I230-P467 HydrophobicContact CD1-CB 3.74Å; I230-P467 HydrophobicContact CD1-CG 4.16Å; P467-F469 HydrophobicContact CB-CE1 3.91Å; P467-F469 HydrophobicContact CB-CZ 4.04Å; P467-F469 HydrophobicContact CG-CZ 4.25Å; P467-W489 HydrophobicContact CG-CD2 3.73Å; P467-W489 VanDerWaalsContact CG-CE2 3.45Å; P467-W489 HydrophobicContact CG-CE3 4.06Å; P467-W489 HydrophobicContact CG-CG 4.33Å; P467-W489 HydrophobicContact CG-CH2 3.93Å; P467-W489 HydrophobicContact CG-CZ2 3.57Å; P467-W489 HydrophobicContact CG-CZ3 4.16Å; P467-V497 HydrophobicContact CG-CB 4.28Å; P467-V497 HydrophobicContact CG-CG2 4.11Å; P467-V498 PolarHBondContact O-N 3.4Å
468	I	98.8	Very high	97.6	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	124.4	-178.7	-51.8	166.2	0	0	0	108.4	E217 F220 T458 R462 V498	E217-I468 HydrophobicContact CB-CB 4.23Å; E217-I468 PolarHBondContact N-O 3.47Å; E217-I468 PolarHBondContact O-N 2.95Å; F220-I468 HydrophobicContact CZ-CD1 4.45Å; T458-I468 HydrophobicContact CG2-CG2 4.06Å; T458-I468 WeakPolarHBondContact OG1-CG2 3.48Å; R462-I468 HydrophobicContact CG-CD1 4.19Å; I468-V498 WeakPolarHBondContact CA-O 3.39Å; I468-V498 HydrophobicContact CG1-CB 4.28Å; I468-V498 HydrophobicContact CG1-CG2 4.45Å; I468-V498 HydrophobicContact CG2-CB 4.29Å
469	F	98.8	Very high	97.7	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	102	178	-52.7	-35.6	0	0	0	109.2	V216 I230 F234 P467 V482 V485 A486 V497 V498 V499 D500	V216-F469 HydrophobicContact CG1-CD1 3.84Å; V216-F469 HydrophobicContact CG1-CE1 3.86Å; I230-F469 HydrophobicContact CG2-CE1 4.41Å; F234-F469 AromaticContact CE2-CD1 3.9Å; F234-F469 HydrophobicContact CE2-CD1 3.9Å; F234-F469 AromaticContact CE2-CE1 3.56Å; F234-F469 HydrophobicContact CE2-CE1 3.56Å; F234-F469 HydrophobicContact CE2-CE2 4.43Å; F234-F469 HydrophobicContact CE2-CG 4.49Å; F234-F469 AromaticContact CE2-CZ 3.86Å; F234-F469 HydrophobicContact CE2-CZ 3.86Å; F234-F469 AromaticContact CZ-CD1 3.88Å; F234-F469 HydrophobicContact CZ-CD1 3.88Å; F234-F469 HydrophobicContact CZ-CD2 4.31Å; F234-F469 AromaticContact CZ-CE1 3.98Å; F234-F469 HydrophobicContact CZ-CE1 3.98Å; F234-F469 HydrophobicContact CZ-CE2 4.38Å; F234-F469 HydrophobicContact CZ-CG 4.07Å; F234-F469 HydrophobicContact CZ-CZ 4.23Å; P467-F469 HydrophobicContact CB-CE1 3.91Å; P467-F469 HydrophobicContact CB-CZ 4.04Å; P467-F469 HydrophobicContact CG-CZ 4.25Å; F469-V482 HydrophobicContact CB-CG1 3.43Å; F469-V482 VanDerWaalsContact CB-CG1 3.43Å; F469-V482 HydrophobicContact CB-CG2 4.45Å; F469-V482 HydrophobicContact CD2-CG1 4.11Å; F469-V482 HydrophobicContact CG-CG1 4.2Å; F469-V485 HydrophobicContact CE2-CG1 3.9Å; F469-V485 HydrophobicContact CZ-CG1 4.1Å; F469-A486 HydrophobicContact CD2-CB 4.41Å; F469-A486 HydrophobicContact CE2-CB 4.46Å; F469-V497 HydrophobicContact CD2-CG2 3.91Å; F469-V497 HydrophobicContact CE2-CG2 3.59Å; F469-V497 HydrophobicContact CZ-CG2 4.29Å; F469-V498 PolarHBondContact N-O 2.8Å; F469-V499 WeakPolarHBondContact O-CA 3.39Å; F469-D500 PolarHBondContact O-N 2.96Å
470	H	98.7	Very high	97.7	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	136.5	173.9	-47.9	-91.4	0	0	0	109.9	L147 I214 G215 E217 Y456 T458 D500	L147-H470 HydrophobicContact CD1-CB 3.6Å; L147-H470 HydrophobicContact CD2-CB 3.62Å; L147-H470 WeakPolarHBondContact CD2-O 3.26Å; L147-H470 HydrophobicContact CG-CB 4.22Å; I214-H470 WeakPolarHBondContact CA-O 3.46Å; G215-H470 PolarHBondContact N-O 3.13Å; G215-H470 PolarHBondContact O-N 3.1Å; E217-H470 IonicContact OE1-NE2 3.68Å; E217-H470 PolarHBondContact OE1-NE2 3.41Å; Y456-H470 AromaticContact CD1-CE1 3.33Å; Y456-H470 WeakPolarHBondContact CD1-CE1 3.46Å; Y456-H470 AromaticContact CD1-ND1 3.67Å; Y456-H470 AromaticContact CD2-CE1 3.89Å; Y456-H470 AromaticContact CE1-CE1 3.72Å; Y456-H470 AromaticContact CE1-ND1 3.93Å; Y456-H470 AromaticContact CG-CE1 3.42Å; Y456-H470 VanDerWaalsContact CG-CE1 3.42Å; T458-H470 PolarHBondContact OG1-CE1 3.31Å; H470-D500 HydrophobicContact CB-CB 4.35Å; H470-D500 IonicContact CE1-OD2 2.65Å; H470-D500 IonicContact CG-OD2 3.73Å; H470-D500 IonicContact ND1-OD2 2.61Å; H470-D500 PolarHBondContact ND1-OD2 2.82Å
471	V	98.7	Very high	97.8	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	137.4	-179.4	62.2	0	0	0	0	112.4	H213 I214 S473 A478 V479 V482 V499 D500 L501 V502	H213-V471 WeakPolarHBondContact O-CA 3.2Å; I214-V471 HydrophobicContact CG1-CG2 4.25Å; V471-S473 PolarHBondContact O-N 2.65Å; V471-A478 HydrophobicContact CG2-CB 3.75Å; V471-V479 HydrophobicContact CB-CG2 4.4Å; V471-V479 HydrophobicContact CG1-CG2 3.87Å; V471-V479 HydrophobicContact CG2-CB 4.36Å; V471-V479 HydrophobicContact CG2-CG2 3.65Å; V471-V482 HydrophobicContact CB-CG2 4.22Å; V471-V482 HydrophobicContact CG1-CG1 4.41Å; V471-V482 HydrophobicContact CG2-CG2 4.35Å; V471-V499 HydrophobicContact CG1-CG1 4.25Å; V471-D500 PolarHBondContact N-O 3.06Å; V471-L501 HydrophobicContact CG1-CD2 3.7Å; V471-V502 PolarHBondContact O-N 3.02Å
472	N	98.6	Very high	97.9	Very high	12 Å²	12	17.1 Å²	17.1	6%	0.064	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	118.1	175.5	-168.8	-36.1	0	0	0	110.1	K146 L147 P149 H213 D474 D475	K146-N472 PolarHBondContact O-ND2 3.36Å; L147-N472 VanDerWaalsContact O-CA 3.28Å; L147-N472 WeakPolarHBondContact O-CA 3.37Å; L147-N472 VanDerWaalsContact O-CB 3.26Å; L147-N472 WeakPolarHBondContact O-CB 3.45Å; L147-N472 PolarHBondContact O-ND2 3.33Å; P149-N472 WeakPolarHBondContact CB-OD1 3.34Å; H213-N472 HydrophobicContact CB-CB 3.94Å; H213-N472 PolarHBondContact O-N 2.92Å; N472-D474 PolarHBondContact O-N 3.18Å; N472-D474 PolarHBondContact OD1-N 3.06Å; N472-D475 PolarHBondContact O-N 2.83Å
473	S	98.1	Very high	98	Very high	4 Å²	4	13.2 Å²	13.2	3%	0.028	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-8.8	-173.9	-61.3	0	0	0	0	114.6	V471 D475 V502 C503	V471-S473 PolarHBondContact O-N 2.65Å; S473-D475 VanDerWaalsContact C-N 3.33Å; S473-V502 VanDerWaalsContact CB-O 3.23Å; S473-V502 WeakPolarHBondContact CB-O 3.47Å; S473-V502 PolarHBondContact N-O 3.49Å; S473-V502 PolarHBondContact OG-O 3.26Å; S473-C503 WeakPolarHBondContact OG-CB 3.35Å
474	D	96.9	Very high	98.1	Very high	23 Å²	23	14.1 Å²	14.1	12%	0.123	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	1.4	169.1	-88.6	-50.8	0	0	0	113.4	P149 N472 P476 V532 K535	P149-D474 HydrophobicContact CB-CB 4.08Å; P149-D474 WeakPolarHBondContact CB-OD2 3.23Å; N472-D474 PolarHBondContact O-N 3.18Å; N472-D474 PolarHBondContact OD1-N 3.06Å; D474-P476 WeakPolarHBondContact O-CD 3.45Å; D474-V532 WeakPolarHBondContact OD1-CB 3.25Å; D474-K535 HydrophobicContact CB-CD 4.2Å; D474-K535 IonicContact OD1-NZ 3.67Å; D474-K535 PolarHBondContact OD1-NZ 3.14Å; D474-K535 VanDerWaalsContact OD1-NZ 3.1Å; D474-K535 IonicContact OD2-NZ 2.79Å; D474-K535 PolarHBondContact OD2-NZ 3.41Å
475	D	98	Very high	98.3	Very high	39 Å²	39	12.7 Å²	12.7	21%	0.209	6%	0.063	C	C	.	.			trans	-112.2	91.9	166.8	-172.8	-25.9	0	0	0	110.8	H213 N472 S473 E477 A478 V479	H213-D475 HydrophobicContact CB-CB 4.03Å; H213-D475 IonicContact CE1-OD2 2.7Å; H213-D475 IonicContact CG-OD2 2.66Å; H213-D475 IonicContact ND1-OD2 3.33Å; H213-D475 PolarHBondContact ND1-OD2 2.88Å; N472-D475 PolarHBondContact O-N 2.83Å; S473-D475 VanDerWaalsContact C-N 3.33Å; D475-E477 VanDerWaalsContact C-N 3.3Å; D475-E477 PolarHBondContact O-N 3.39Å; D475-E477 PolarHBondContact OD1-N 3.29Å; D475-E477 VanDerWaalsContact OD1-N 3.14Å; D475-A478 HydrophobicContact CB-CB 3.89Å; D475-A478 VanDerWaalsContact CG-CB 3.47Å; D475-A478 PolarHBondContact O-N 3.36Å; D475-A478 PolarHBondContact OD1-N 2.87Å; D475-V479 WeakPolarHBondContact O-CG2 3.49Å; D475-V479 PolarHBondContact O-N 3.46Å; D475-V479 VanDerWaalsContact O-N 3.13Å
476	P	98.1	Very high	98.4	Very high	4 Å²	4	10 Å²	10	3%	0.026	5%	0.049	C	C	.	.	H	α-helix	trans	-62	-31.7	-178.3	-27.9	38.2	0	0	0	114.8	L250 L254 V281 D474 V479 M480 V532 Y536	L250-P476 HydrophobicContact CD1-CB 4.13Å; L250-P476 HydrophobicContact CD2-CB 3.73Å; L250-P476 HydrophobicContact CG-CB 4.06Å; L254-P476 HydrophobicContact CD1-CB 3.96Å; L254-P476 HydrophobicContact CD1-CG 3.77Å; V281-P476 HydrophobicContact CG2-CB 4.19Å; D474-P476 WeakPolarHBondContact O-CD 3.45Å; P476-V479 PolarHBondContact O-N 2.94Å; P476-M480 WeakPolarHBondContact O-CG 3.42Å; P476-M480 PolarHBondContact O-N 3.07Å; P476-V532 HydrophobicContact CG-CG2 3.54Å; P476-Y536 HydrophobicContact CB-CD2 4.22Å; P476-Y536 HydrophobicContact CB-CE2 4.43Å; P476-Y536 HydrophobicContact CB-CG 4.47Å; P476-Y536 HydrophobicContact CG-CD2 3.99Å; P476-Y536 HydrophobicContact CG-CG 4.1Å
477	E	98.2	Very high	98.4	Very high	18 Å²	18	9.9 Å²	9.9	8%	0.084	5%	0.048	C	C	.	.	H	α-helix	trans	-71.9	-40.7	-179.7	-81.9	175.3	-144.7	0	0	109.9	M240 F242 K247 L250 D475 V479 M480 Y481 Y536	M240-E477 HydrophobicContact CE-CB 4.19Å; F242-E477 HydrophobicContact CD2-CB 3.78Å; F242-E477 HydrophobicContact CD2-CG 3.71Å; F242-E477 HydrophobicContact CE2-CB 3.62Å; F242-E477 HydrophobicContact CE2-CG 4Å; F242-E477 WeakPolarHBondContact CE2-O 3.22Å; F242-E477 HydrophobicContact CG-CG 4.15Å; F242-E477 HydrophobicContact CZ-CB 4.36Å; F242-E477 WeakPolarHBondContact CZ-O 3.33Å; K247-E477 IonicContact NZ-OE1 3.2Å; K247-E477 PolarHBondContact NZ-OE1 3.48Å; K247-E477 IonicContact NZ-OE2 2.69Å; K247-E477 PolarHBondContact NZ-OE2 2.81Å; L250-E477 HydrophobicContact CD2-CG 4.03Å; D475-E477 VanDerWaalsContact C-N 3.3Å; D475-E477 PolarHBondContact O-N 3.39Å; D475-E477 PolarHBondContact OD1-N 3.29Å; D475-E477 VanDerWaalsContact OD1-N 3.14Å; E477-V479 PolarHBondContact O-N 3.11Å; E477-M480 PolarHBondContact O-N 3.28Å; E477-Y481 PolarHBondContact O-N 2.81Å; E477-Y536 HydrophobicContact CG-CE2 3.97Å; E477-Y536 WeakPolarHBondContact OE1-CE2 3.46Å; E477-Y536 PolarHBondContact OE1-OH 3.31Å
478	A	98.3	Very high	98.5	Very high	1 Å²	1	11.3 Å²	11.3	1%	0.008	6%	0.055	C	C	.	.	H	α-helix	trans	-60.3	-43.5	172.5	0	0	0	0	0	112.1	H213 I214 M240 V471 D475 M480 Y481 V482	H213-A478 HydrophobicContact CB-CB 4.25Å; I214-A478 HydrophobicContact CD1-CB 4.11Å; I214-A478 HydrophobicContact CG1-CB 3.89Å; M240-A478 HydrophobicContact CE-CB 4.18Å; V471-A478 HydrophobicContact CG2-CB 3.75Å; D475-A478 HydrophobicContact CB-CB 3.89Å; D475-A478 VanDerWaalsContact CG-CB 3.47Å; D475-A478 PolarHBondContact O-N 3.36Å; D475-A478 PolarHBondContact OD1-N 2.87Å; A478-M480 PolarHBondContact O-N 3.25Å; A478-Y481 PolarHBondContact O-N 3.27Å; A478-V482 WeakPolarHBondContact O-CG2 3.5Å; A478-V482 PolarHBondContact O-N 2.91Å
479	V	98.8	Very high	98.4	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-63.7	-41.2	177	-178.4	0	0	0	0	111.2	V281 A285 V471 D475 P476 E477 Y481 V482 C483 L501	V281-V479 HydrophobicContact CG1-CG1 4.34Å; V281-V479 HydrophobicContact CG1-CG2 4.15Å; V281-V479 HydrophobicContact CG2-CB 3.8Å; V281-V479 HydrophobicContact CG2-CG1 3.87Å; V281-V479 HydrophobicContact CG2-CG2 3.94Å; A285-V479 HydrophobicContact CB-CG1 3.77Å; V471-V479 HydrophobicContact CB-CG2 4.4Å; V471-V479 HydrophobicContact CG1-CG2 3.87Å; V471-V479 HydrophobicContact CG2-CB 4.36Å; V471-V479 HydrophobicContact CG2-CG2 3.65Å; D475-V479 WeakPolarHBondContact O-CG2 3.49Å; D475-V479 PolarHBondContact O-N 3.46Å; D475-V479 VanDerWaalsContact O-N 3.13Å; P476-V479 PolarHBondContact O-N 2.94Å; E477-V479 PolarHBondContact O-N 3.11Å; V479-Y481 VanDerWaalsContact C-N 3.33Å; V479-Y481 PolarHBondContact O-N 3.11Å; V479-V482 PolarHBondContact O-N 3.36Å; V479-C483 VanDerWaalsContact O-CB 3.31Å; V479-C483 WeakPolarHBondContact O-CB 3.28Å; V479-C483 PolarHBondContact O-N 3.3Å; V479-C483 PolarHBondContact O-SG 2.95Å; V479-C483 VanDerWaalsContact O-SG 3.37Å; V479-L501 HydrophobicContact CG1-CD2 3.64Å; V479-L501 HydrophobicContact CG2-CD2 4.34Å
480	M	98.5	Very high	98.4	Very high	10 Å²	10	11.4 Å²	11.4	5%	0.049	6%	0.055	C	C	.	.	H	α-helix	trans	-64.7	-39.3	178.3	-69.1	-40	95.4	0	0	111.7	F242 L250 V281 P284 A285 T288 P476 E477 A478 K484	F242-M480 HydrophobicContact CE1-CB 3.96Å; F242-M480 HydrophobicContact CZ-CB 3.99Å; L250-M480 HydrophobicContact CD1-CE 3.93Å; L250-M480 HydrophobicContact CD1-CG 3.72Å; L250-M480 HydrophobicContact CD1-SD 3.79Å; L250-M480 HydrophobicContact CD2-CG 3.65Å; L250-M480 HydrophobicContact CG-CG 4.27Å; V281-M480 HydrophobicContact CG2-CE 3.88Å; P284-M480 HydrophobicContact CB-CE 3.77Å; P284-M480 HydrophobicContact CB-SD 3.8Å; P284-M480 HydrophobicContact CG-CE 4.21Å; A285-M480 HydrophobicContact CB-CE 4.25Å; T288-M480 HydrophobicContact CG2-SD 4.37Å; T288-M480 PolarHBondContact OG1-SD 3.08Å; P476-M480 WeakPolarHBondContact O-CG 3.42Å; P476-M480 PolarHBondContact O-N 3.07Å; E477-M480 PolarHBondContact O-N 3.28Å; A478-M480 PolarHBondContact O-N 3.25Å; M480-K484 WeakPolarHBondContact O-CB 3.21Å; M480-K484 PolarHBondContact O-N 3.24Å
481	Y	98.6	Very high	98.4	Very high	19 Å²	19	13 Å²	13	8%	0.075	6%	0.064	C	C	.	.	H	α-helix	trans	-62.6	-50.3	176.4	-175.4	-92	0	0	0	111.5	I214 K233 F234 I239 M240 E477 A478 V479 C483 K484 V485	I214-Y481 HydrophobicContact CD1-CD1 4.24Å; K233-Y481 PolarHBondContact O-OH 2.82Å; F234-Y481 HydrophobicContact CD1-CD1 4.5Å; F234-Y481 AromaticContact CD1-CE1 3.92Å; F234-Y481 HydrophobicContact CD1-CE1 3.92Å; F234-Y481 HydrophobicContact CE1-CD1 4.06Å; F234-Y481 AromaticContact CE1-CE1 3.72Å; F234-Y481 HydrophobicContact CE1-CE1 3.72Å; F234-Y481 HydrophobicContact CZ-CE1 4.42Å; I239-Y481 HydrophobicContact CB-CE2 3.76Å; I239-Y481 HydrophobicContact CD1-CE1 3.93Å; I239-Y481 HydrophobicContact CD1-CE2 4.46Å; I239-Y481 HydrophobicContact CG2-CE2 4.47Å; I239-Y481 VanDerWaalsContact O-CD2 3.27Å; I239-Y481 WeakPolarHBondContact O-CD2 3.22Å; I239-Y481 VanDerWaalsContact O-CE2 3.32Å; I239-Y481 WeakPolarHBondContact O-CE2 3.45Å; M240-Y481 HydrophobicContact SD-CD1 4.4Å; M240-Y481 HydrophobicContact SD-CD2 4.43Å; M240-Y481 HydrophobicContact SD-CG 3.93Å; E477-Y481 PolarHBondContact O-N 2.81Å; A478-Y481 PolarHBondContact O-N 3.27Å; V479-Y481 VanDerWaalsContact C-N 3.33Å; V479-Y481 PolarHBondContact O-N 3.11Å; Y481-C483 PolarHBondContact O-N 3.12Å; Y481-K484 WeakPolarHBondContact O-CB 3.3Å; Y481-K484 PolarHBondContact O-N 3.45Å; Y481-V485 HydrophobicContact CD1-CG2 4.1Å; Y481-V485 HydrophobicContact CE1-CG2 3.47Å; Y481-V485 VanDerWaalsContact CE1-CG2 3.47Å; Y481-V485 HydrophobicContact CE2-CG2 4.32Å; Y481-V485 WeakPolarHBondContact O-CG2 3.35Å; Y481-V485 PolarHBondContact O-N 3.4Å
482	V	98.6	Very high	98.3	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-60.1	-44.1	178.4	166.4	0	0	0	0	111.8	I214 F234 F469 V471 A478 V479 K484 V485 A486 V499	I214-V482 HydrophobicContact CD1-CG2 3.88Å; I214-V482 HydrophobicContact CG1-CG2 3.97Å; I214-V482 HydrophobicContact CG2-CG2 3.89Å; F234-V482 HydrophobicContact CE1-CG2 4.24Å; F469-V482 HydrophobicContact CB-CG1 3.43Å; F469-V482 VanDerWaalsContact CB-CG1 3.43Å; F469-V482 HydrophobicContact CB-CG2 4.45Å; F469-V482 HydrophobicContact CD2-CG1 4.11Å; F469-V482 HydrophobicContact CG-CG1 4.2Å; V471-V482 HydrophobicContact CB-CG2 4.22Å; V471-V482 HydrophobicContact CG1-CG1 4.41Å; V471-V482 HydrophobicContact CG2-CG2 4.35Å; A478-V482 WeakPolarHBondContact O-CG2 3.5Å; A478-V482 PolarHBondContact O-N 2.91Å; V479-V482 PolarHBondContact O-N 3.36Å; V482-K484 VanDerWaalsContact C-N 3.34Å; V482-K484 PolarHBondContact O-N 3.46Å; V482-V485 PolarHBondContact O-N 2.76Å; V482-A486 WeakPolarHBondContact O-CB 3.28Å; V482-A486 PolarHBondContact O-N 2.78Å; V482-V499 HydrophobicContact CG1-CB 4.43Å; V482-V499 HydrophobicContact CG1-CG1 3.8Å; V482-V499 HydrophobicContact CG1-CG2 3.95Å
483	C	98.8	Very high	98.3	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-64.3	-35.3	177.4	-77.2	0	0	0	0	113.4	A285 T288 I289 V479 Y481 A487	A285-C483 VanDerWaalsContact CB-SG 3.58Å; T288-C483 HydrophobicContact CG2-CB 4.27Å; I289-C483 HydrophobicContact CD1-CB 4.42Å; I289-C483 HydrophobicContact CG1-CB 3.84Å; V479-C483 VanDerWaalsContact O-CB 3.31Å; V479-C483 WeakPolarHBondContact O-CB 3.28Å; V479-C483 PolarHBondContact O-N 3.3Å; V479-C483 PolarHBondContact O-SG 2.95Å; V479-C483 VanDerWaalsContact O-SG 3.37Å; Y481-C483 PolarHBondContact O-N 3.12Å; C483-A487 PolarHBondContact O-N 3.18Å
484	K	98.5	Very high	98.2	Very high	77 Å²	77	19 Å²	19	34%	0.335	10%	0.095	S	C	.	.	H	α-helix	trans	-63.5	-49.9	170.7	168.5	174.7	178.3	179.6	0	111	T288 M292 M480 Y481 V482 A486 A487 E488	T288-K484 HydrophobicContact CG2-CB 4.43Å; M292-K484 HydrophobicContact CE-CD 4.09Å; M292-K484 HydrophobicContact CE-CG 4.02Å; M292-K484 HydrophobicContact CG-CG 4.38Å; M480-K484 WeakPolarHBondContact O-CB 3.21Å; M480-K484 PolarHBondContact O-N 3.24Å; Y481-K484 WeakPolarHBondContact O-CB 3.3Å; Y481-K484 PolarHBondContact O-N 3.45Å; V482-K484 VanDerWaalsContact C-N 3.34Å; V482-K484 PolarHBondContact O-N 3.46Å; K484-A486 VanDerWaalsContact C-N 3.31Å; K484-A486 PolarHBondContact O-N 2.9Å; K484-A487 PolarHBondContact O-N 2.86Å; K484-E488 WeakPolarHBondContact CE-OE1 3.49Å; K484-E488 HydrophobicContact CG-CG 4.41Å; K484-E488 WeakPolarHBondContact CG-OE1 3.3Å; K484-E488 WeakPolarHBondContact O-CG 3.41Å; K484-E488 PolarHBondContact O-N 2.82Å
485	V	98.8	Very high	98.3	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-63.4	-35.1	179.8	176.5	0	0	0	0	112	W229 K233 F234 F469 Y481 V482 E488 W489	W229-V485 HydrophobicContact CH2-CG1 3.95Å; W229-V485 HydrophobicContact CZ3-CG1 3.72Å; K233-V485 HydrophobicContact CB-CG1 4.15Å; K233-V485 HydrophobicContact CB-CG2 4.27Å; K233-V485 HydrophobicContact CD-CG2 4.34Å; K233-V485 HydrophobicContact CG-CG1 4.05Å; K233-V485 HydrophobicContact CG-CG2 4.41Å; F234-V485 HydrophobicContact CE2-CG1 3.84Å; F234-V485 HydrophobicContact CZ-CB 4.25Å; F234-V485 HydrophobicContact CZ-CG1 3.91Å; F234-V485 HydrophobicContact CZ-CG2 4.47Å; F469-V485 HydrophobicContact CE2-CG1 3.9Å; F469-V485 HydrophobicContact CZ-CG1 4.1Å; Y481-V485 HydrophobicContact CD1-CG2 4.1Å; Y481-V485 HydrophobicContact CE1-CG2 3.47Å; Y481-V485 VanDerWaalsContact CE1-CG2 3.47Å; Y481-V485 HydrophobicContact CE2-CG2 4.32Å; Y481-V485 WeakPolarHBondContact O-CG2 3.35Å; Y481-V485 PolarHBondContact O-N 3.4Å; V482-V485 PolarHBondContact O-N 2.76Å; V485-E488 PolarHBondContact O-N 2.95Å; V485-W489 WeakPolarHBondContact O-CB 3.42Å; V485-W489 PolarHBondContact O-N 3.4Å
486	A	98.8	Very high	98.3	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-65.2	-43.8	174.1	0	0	0	0	0	112.7	V434 F469 V482 K484 W489 R490 V497 V499	V434-A486 HydrophobicContact CG1-CB 4.16Å; F469-A486 HydrophobicContact CD2-CB 4.41Å; F469-A486 HydrophobicContact CE2-CB 4.46Å; V482-A486 WeakPolarHBondContact O-CB 3.28Å; V482-A486 PolarHBondContact O-N 2.78Å; K484-A486 VanDerWaalsContact C-N 3.31Å; K484-A486 PolarHBondContact O-N 2.9Å; A486-W489 PolarHBondContact O-N 3.12Å; A486-R490 PolarHBondContact O-N 3.27Å; A486-R490 VanDerWaalsContact O-N 3.08Å; A486-V497 HydrophobicContact CB-CG1 4.02Å; A486-V497 HydrophobicContact CB-CG2 3.93Å; A486-V499 HydrophobicContact CB-CG2 3.69Å
487	A	98.7	Very high	98.3	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-64.3	-41.8	174.8	0	0	0	0	0	112.1	I289 M292 C483 K484 N491	I289-A487 HydrophobicContact CG2-CB 4.26Å; M292-A487 HydrophobicContact CB-CB 3.82Å; M292-A487 HydrophobicContact CG-CB 3.78Å; C483-A487 PolarHBondContact O-N 3.18Å; K484-A487 PolarHBondContact O-N 2.86Å; A487-N491 WeakPolarHBondContact O-CB 3.45Å; A487-N491 PolarHBondContact O-N 3.27Å; A487-N491 VanDerWaalsContact O-N 3.12Å
488	E	98.6	Very high	98.4	Very high	31 Å²	31	17.9 Å²	17.9	15%	0.145	9%	0.087	C	C	.	.	H	α-helix	trans	-63.5	-43.1	174.7	-70.5	175.1	-180	0	0	111.8	W229 K233 M292 K484 V485 N491 T492	W229-E488 HydrophobicContact CH2-CB 3.96Å; W229-E488 HydrophobicContact CZ2-CB 3.94Å; K233-E488 WeakPolarHBondContact CE-OE2 3.32Å; K233-E488 IonicContact NZ-OE2 2.73Å; K233-E488 PolarHBondContact NZ-OE2 3.29Å; M292-E488 HydrophobicContact CG-CG 4.16Å; M292-E488 HydrophobicContact SD-CG 4.25Å; K484-E488 WeakPolarHBondContact CE-OE1 3.49Å; K484-E488 HydrophobicContact CG-CG 4.41Å; K484-E488 WeakPolarHBondContact CG-OE1 3.3Å; K484-E488 WeakPolarHBondContact O-CG 3.41Å; K484-E488 PolarHBondContact O-N 2.82Å; V485-E488 PolarHBondContact O-N 2.95Å; E488-N491 PolarHBondContact O-N 2.64Å; E488-T492 WeakPolarHBondContact O-CB 3.31Å; E488-T492 PolarHBondContact O-N 2.97Å; E488-T492 PolarHBondContact O-OG1 3.31Å
489	W	98.6	Very high	98.4	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-59.2	-51	177.3	164.4	-85.5	0	0	0	111.3	I221 Q226 W229 I230 P467 V485 A486 N491 T492 F493 K495 D496 V497	I221-W489 HydrophobicContact CD1-CH2 4.02Å; Q226-W489 HydrophobicContact CB-CH2 3.67Å; Q226-W489 HydrophobicContact CB-CZ3 3.74Å; Q226-W489 HydrophobicContact CG-CH2 3.56Å; Q226-W489 HydrophobicContact CG-CZ3 3.79Å; W229-W489 HydrophobicContact CE3-CE3 4.11Å; W229-W489 HydrophobicContact CH2-CB 3.79Å; W229-W489 HydrophobicContact CZ3-CB 3.95Å; W229-W489 HydrophobicContact CZ3-CE3 4.1Å; I230-W489 HydrophobicContact CD1-CE3 4.03Å; I230-W489 HydrophobicContact CD1-CH2 4.28Å; I230-W489 HydrophobicContact CD1-CZ3 3.59Å; I230-W489 HydrophobicContact CG1-CE3 4.09Å; I230-W489 HydrophobicContact CG1-CZ3 3.95Å; P467-W489 HydrophobicContact CG-CD2 3.73Å; P467-W489 VanDerWaalsContact CG-CE2 3.45Å; P467-W489 HydrophobicContact CG-CE3 4.06Å; P467-W489 HydrophobicContact CG-CG 4.33Å; P467-W489 HydrophobicContact CG-CH2 3.93Å; P467-W489 HydrophobicContact CG-CZ2 3.57Å; P467-W489 HydrophobicContact CG-CZ3 4.16Å; V485-W489 WeakPolarHBondContact O-CB 3.42Å; V485-W489 PolarHBondContact O-N 3.4Å; A486-W489 PolarHBondContact O-N 3.12Å; W489-N491 PolarHBondContact O-N 2.94Å; W489-T492 PolarHBondContact O-N 2.83Å; W489-T492 VanDerWaalsContact O-N 3.14Å; W489-F493 AromaticContact CD2-CD2 3.73Å; W489-F493 HydrophobicContact CD2-CD2 3.73Å; W489-F493 HydrophobicContact CD2-CE2 4.47Å; W489-F493 AromaticContact CE3-CD2 3.31Å; W489-F493 HydrophobicContact CE3-CD2 3.31Å; W489-F493 AromaticContact CE3-CE2 3.64Å; W489-F493 HydrophobicContact CE3-CE2 3.64Å; W489-F493 HydrophobicContact CE3-CG 4.35Å; W489-F493 HydrophobicContact CG-CD2 4.43Å; W489-F493 HydrophobicContact CH2-CD2 4.11Å; W489-F493 HydrophobicContact CH2-CG 4.49Å; W489-F493 HydrophobicContact CZ2-CB 4.46Å; W489-F493 HydrophobicContact CZ2-CD2 4.46Å; W489-F493 AromaticContact CZ3-CD2 3.51Å; W489-F493 HydrophobicContact CZ3-CD2 3.51Å; W489-F493 AromaticContact CZ3-CE2 3.7Å; W489-F493 HydrophobicContact CZ3-CE2 3.7Å; W489-F493 HydrophobicContact CZ3-CG 4.3Å; W489-F493 PolarHBondContact O-N 2.7Å; W489-K495 HydrophobicContact CZ2-CB 4.23Å; W489-K495 HydrophobicContact CZ2-CD 4.36Å; W489-K495 PolarHBondContact NE1-O 2.97Å; W489-D496 PolarHBondContact NE1-O 3.08Å; W489-V497 VanDerWaalsContact CD1-CB 3.48Å; W489-V497 HydrophobicContact CG-CB 4.24Å; W489-V497 HydrophobicContact CG-CG1 4.49Å
490	R	98.1	Very high	98.4	Very high	1 Å²	1	17.9 Å²	17.9	0%	0.004	9%	0.086	C	C	.	.	H	α-helix	trans	-60.3	-37	-179.7	-174.1	-88.3	173.5	-165.6	-5.4	110.7	G396 V399 M400 T430 H431 G432 V434 A486 H494 V497	G396-R490 VanDerWaalsContact O-CZ 3.29Å; G396-R490 PolarHBondContact O-NH1 2.99Å; G396-R490 PolarHBondContact O-NH2 3.18Å; V399-R490 PolarHBondContact O-NH2 2.9Å; M400-R490 VanDerWaalsContact CB-CZ 3.42Å; T430-R490 PolarHBondContact O-NH2 3.04Å; T430-R490 VanDerWaalsContact O-NH2 3.08Å; H431-R490 VanDerWaalsContact O-CZ 3.27Å; H431-R490 PolarHBondContact O-NE 2.93Å; H431-R490 PolarHBondContact O-NH2 3.02Å; G432-R490 WeakPolarHBondContact O-CG 3.35Å; G432-R490 PolarHBondContact O-NE 2.88Å; V434-R490 HydrophobicContact CG2-CB 4Å; V434-R490 HydrophobicContact CG2-CG 4.25Å; A486-R490 PolarHBondContact O-N 3.27Å; A486-R490 VanDerWaalsContact O-N 3.08Å; R490-H494 VanDerWaalsContact O-CA 3.31Å; R490-H494 WeakPolarHBondContact O-CA 3.5Å; R490-H494 PolarHBondContact O-N 3.24Å; R490-H494 VanDerWaalsContact O-N 3.08Å; R490-V497 HydrophobicContact CB-CG1 4.45Å
491	N	97.6	Very high	98.4	Very high	35 Å²	35	17.4 Å²	17.4	19%	0.187	8%	0.084	C	C	.	.	H	α-helix	trans	-74.2	-31.7	176.9	-174.9	76.4	0	0	0	114.2	N296 A487 E488 W489	N296-N491 HydrophobicContact CB-CB 4.41Å; A487-N491 WeakPolarHBondContact O-CB 3.45Å; A487-N491 PolarHBondContact O-N 3.27Å; A487-N491 VanDerWaalsContact O-N 3.12Å; E488-N491 PolarHBondContact O-N 2.64Å; W489-N491 PolarHBondContact O-N 2.94Å
492	T	97.8	Very high	98.4	Very high	66 Å²	66	17 Å²	17	41%	0.405	8%	0.083	S	C	.	.	H	α-helix	trans	-82.6	-43.1	179.1	-66.1	0	0	0	0	112.7	E488 W489	E488-T492 WeakPolarHBondContact O-CB 3.31Å; E488-T492 PolarHBondContact O-N 2.97Å; E488-T492 PolarHBondContact O-OG1 3.31Å; W489-T492 PolarHBondContact O-N 2.83Å; W489-T492 VanDerWaalsContact O-N 3.14Å
493	F	97.6	Very high	98.4	Very high	28 Å²	28	17 Å²	17	12%	0.123	8%	0.083	C	C	.	.	H	α-helix	trans	-111.3	-5.1	-170.2	-63	-66.7	0	0	0	114.8	Q226 W229 W489 K495	Q226-F493 HydrophobicContact CB-CZ 4.39Å; Q226-F493 HydrophobicContact CG-CD1 3.49Å; Q226-F493 VanDerWaalsContact CG-CD1 3.49Å; Q226-F493 HydrophobicContact CG-CD2 4.05Å; Q226-F493 HydrophobicContact CG-CE1 3.48Å; Q226-F493 VanDerWaalsContact CG-CE1 3.48Å; Q226-F493 HydrophobicContact CG-CE2 4.02Å; Q226-F493 HydrophobicContact CG-CG 3.78Å; Q226-F493 HydrophobicContact CG-CZ 3.75Å; W229-F493 HydrophobicContact CB-CE2 3.93Å; W229-F493 HydrophobicContact CB-CZ 3.77Å; W229-F493 AromaticContact CD1-CE2 3.87Å; W229-F493 AromaticContact CD1-CZ 3.84Å; W229-F493 AromaticContact CD2-CE2 3.66Å; W229-F493 HydrophobicContact CD2-CE2 3.66Å; W229-F493 HydrophobicContact CD2-CZ 4.32Å; W229-F493 AromaticContact CE2-CE2 3.99Å; W229-F493 HydrophobicContact CE3-CE2 4.12Å; W229-F493 AromaticContact CG-CE2 3.59Å; W229-F493 HydrophobicContact CG-CE2 3.59Å; W229-F493 AromaticContact CG-CZ 3.75Å; W229-F493 HydrophobicContact CG-CZ 3.75Å; W489-F493 AromaticContact CD2-CD2 3.73Å; W489-F493 HydrophobicContact CD2-CD2 3.73Å; W489-F493 HydrophobicContact CD2-CE2 4.47Å; W489-F493 AromaticContact CE3-CD2 3.31Å; W489-F493 HydrophobicContact CE3-CD2 3.31Å; W489-F493 AromaticContact CE3-CE2 3.64Å; W489-F493 HydrophobicContact CE3-CE2 3.64Å; W489-F493 HydrophobicContact CE3-CG 4.35Å; W489-F493 HydrophobicContact CG-CD2 4.43Å; W489-F493 HydrophobicContact CH2-CD2 4.11Å; W489-F493 HydrophobicContact CH2-CG 4.49Å; W489-F493 HydrophobicContact CZ2-CB 4.46Å; W489-F493 HydrophobicContact CZ2-CD2 4.46Å; W489-F493 AromaticContact CZ3-CD2 3.51Å; W489-F493 HydrophobicContact CZ3-CD2 3.51Å; W489-F493 AromaticContact CZ3-CE2 3.7Å; W489-F493 HydrophobicContact CZ3-CE2 3.7Å; W489-F493 HydrophobicContact CZ3-CG 4.3Å; W489-F493 PolarHBondContact O-N 2.7Å; F493-K495 PolarHBondContact O-N 3.49Å
494	H	97	Very high	98.3	Very high	47 Å²	47	17 Å²	17	22%	0.218	8%	0.083	C	C	.	.			trans	56.3	31.3	178.3	-63.1	-76.8	0	0	0	114.2	E395 H431 G432 R490	E395-H494 PolarHBondContact O-CE1 3.03Å; E395-H494 PolarHBondContact O-ND1 3.29Å; E395-H494 VanDerWaalsContact O-ND1 3.09Å; H431-H494 VanDerWaalsContact C-C 3.44Å; H431-H494 CarbonylContact C-O 3.47Å; H431-H494 WeakPolarHBondContact CA-O 3.33Å; H431-H494 HydrophobicContact CB-CB 4.01Å; H431-H494 CarbonylContact O-C 3.58Å; H431-H494 WeakPolarHBondContact O-CA 3.39Å; G432-H494 PolarHBondContact N-O 2.96Å; G432-H494 VanDerWaalsContact N-O 3.14Å; R490-H494 VanDerWaalsContact O-CA 3.31Å; R490-H494 WeakPolarHBondContact O-CA 3.5Å; R490-H494 PolarHBondContact O-N 3.24Å; R490-H494 VanDerWaalsContact O-N 3.08Å
495	K	97.6	Very high	98.3	Very high	56 Å²	56	13.9 Å²	13.9	24%	0.243	7%	0.069	C	C	.	.			trans	-123.1	160.5	-176.5	-78.5	176	178.4	176.3	0	112.2	G432 W489 F493	G432-K495 WeakPolarHBondContact CA-O 3.43Å; W489-K495 HydrophobicContact CZ2-CB 4.23Å; W489-K495 HydrophobicContact CZ2-CD 4.36Å; W489-K495 PolarHBondContact NE1-O 2.97Å; F493-K495 PolarHBondContact O-N 3.49Å
496	D	98.7	Very high	98.1	Very high	5 Å²	5	16.8 Å²	16.8	3%	0.027	8%	0.08	C	C	.	.			trans	-63	156	174.4	-58.7	-28.4	0	0	0	112	F420 S423 G432 T433 A466 W489	F420-D496 HydrophobicContact CD1-CB 4.42Å; F420-D496 WeakPolarHBondContact CD1-OD2 3.44Å; F420-D496 HydrophobicContact CE1-CB 4.05Å; S423-D496 WeakPolarHBondContact CB-OD2 3.03Å; S423-D496 PolarHBondContact OG-OD2 3.46Å; G432-D496 WeakPolarHBondContact CA-OD1 3.44Å; T433-D496 WeakPolarHBondContact CB-OD1 3.39Å; T433-D496 PolarHBondContact N-OD1 3.25Å; T433-D496 VanDerWaalsContact O-CA 3.29Å; T433-D496 WeakPolarHBondContact O-CA 3.49Å; T433-D496 PolarHBondContact OG1-OD1 2.95Å; A466-D496 HydrophobicContact CB-CB 4Å; W489-D496 PolarHBondContact NE1-O 3.08Å
497	V	98.8	Very high	97.9	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	143.8	174.9	49.9	0	0	0	0	109.9	T433 V434 H435 P467 F469 A486 W489 R490	T433-V497 PolarHBondContact O-N 2.82Å; V434-V497 HydrophobicContact CB-CG1 4.45Å; V434-V497 HydrophobicContact CG1-CG1 4.43Å; V434-V497 HydrophobicContact CG2-CG1 4Å; H435-V497 PolarHBondContact N-O 3.46Å; P467-V497 HydrophobicContact CG-CB 4.28Å; P467-V497 HydrophobicContact CG-CG2 4.11Å; F469-V497 HydrophobicContact CD2-CG2 3.91Å; F469-V497 HydrophobicContact CE2-CG2 3.59Å; F469-V497 HydrophobicContact CZ-CG2 4.29Å; A486-V497 HydrophobicContact CB-CG1 4.02Å; A486-V497 HydrophobicContact CB-CG2 3.93Å; W489-V497 VanDerWaalsContact CD1-CB 3.48Å; W489-V497 HydrophobicContact CG-CB 4.24Å; W489-V497 HydrophobicContact CG-CG1 4.49Å; R490-V497 HydrophobicContact CB-CG1 4.45Å
498	V	98.9	Very high	97.7	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	129	-178.7	-168.6	0	0	0	0	111.3	F410 F420 H435 V437 T458 A461 P467 I468 F469	F410-V498 HydrophobicContact CE1-CG1 4.3Å; F410-V498 HydrophobicContact CZ-CG1 4.41Å; F410-V498 HydrophobicContact CZ-CG2 4.46Å; F420-V498 HydrophobicContact CZ-CG2 4.26Å; H435-V498 HydrophobicContact CB-CB 4.43Å; H435-V498 HydrophobicContact CB-CG1 4.26Å; H435-V498 HydrophobicContact CB-CG2 4.16Å; V437-V498 HydrophobicContact CG2-CG1 3.92Å; T458-V498 HydrophobicContact CG2-CG1 3.6Å; A461-V498 HydrophobicContact CB-CG2 3.47Å; A461-V498 VanDerWaalsContact CB-CG2 3.47Å; P467-V498 PolarHBondContact O-N 3.4Å; I468-V498 WeakPolarHBondContact CA-O 3.39Å; I468-V498 HydrophobicContact CG1-CB 4.28Å; I468-V498 HydrophobicContact CG1-CG2 4.45Å; I468-V498 HydrophobicContact CG2-CB 4.29Å; F469-V498 PolarHBondContact N-O 2.8Å
499	V	98.9	Very high	97.6	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	113.2	166.9	179.6	0	0	0	0	108.3	H435 V436 V437 F469 V471 V482 A486 L501	H435-V499 PolarHBondContact O-N 2.91Å; V436-V499 WeakPolarHBondContact CA-O 3.48Å; V437-V499 PolarHBondContact N-O 3.32Å; F469-V499 WeakPolarHBondContact O-CA 3.39Å; V471-V499 HydrophobicContact CG1-CG1 4.25Å; V482-V499 HydrophobicContact CG1-CB 4.43Å; V482-V499 HydrophobicContact CG1-CG1 3.8Å; V482-V499 HydrophobicContact CG1-CG2 3.95Å; A486-V499 HydrophobicContact CB-CG2 3.69Å; V499-L501 HydrophobicContact CG1-CD2 3.69Å; V499-L501 HydrophobicContact CG1-CG 4.21Å
500	D	98.8	Very high	97.3	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	98.6	177	-178.2	31.4	0	0	0	109.5	N439 T458 F469 H470 V471 V502	N439-D500 WeakPolarHBondContact CB-OD1 3.3Å; N439-D500 PolarHBondContact ND2-OD1 3.08Å; N439-D500 PolarHBondContact ND2-OD2 2.89Å; N439-D500 VanDerWaalsContact ND2-OD2 3.15Å; T458-D500 HydrophobicContact CG2-CB 3.87Å; F469-D500 PolarHBondContact O-N 2.96Å; H470-D500 HydrophobicContact CB-CB 4.35Å; H470-D500 IonicContact CE1-OD2 2.65Å; H470-D500 IonicContact CG-OD2 3.73Å; H470-D500 IonicContact ND1-OD2 2.61Å; H470-D500 PolarHBondContact ND1-OD2 2.82Å; V471-D500 PolarHBondContact N-O 3.06Å; D500-V502 PolarHBondContact O-N 3.08Å; D500-V502 VanDerWaalsContact O-N 3.08Å; D500-V502 WeakPolarHBondContact OD2-CG2 3.36Å
501	L	98.8	Very high	97	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	85.9	178.4	-61.7	-176.9	0	0	0	109.1	L282 V436 V437 N439 V471 V479 V499 C503	L282-L501 HydrophobicContact CB-CD1 4.38Å; L282-L501 HydrophobicContact CD1-CD1 3.75Å; V436-L501 HydrophobicContact CG1-CD1 3.54Å; V436-L501 HydrophobicContact CG1-CG 3.96Å; V437-L501 WeakPolarHBondContact O-CB 3.44Å; V437-L501 PolarHBondContact O-N 3.47Å; N439-L501 PolarHBondContact N-O 3.44Å; N439-L501 VanDerWaalsContact N-O 3.09Å; V471-L501 HydrophobicContact CG1-CD2 3.7Å; V479-L501 HydrophobicContact CG1-CD2 3.64Å; V479-L501 HydrophobicContact CG2-CD2 4.34Å; V499-L501 HydrophobicContact CG1-CD2 3.69Å; V499-L501 HydrophobicContact CG1-CG 4.21Å; L501-C503 WeakPolarHBondContact O-CB 3.38Å; L501-C503 PolarHBondContact O-N 3.44Å; L501-C503 VanDerWaalsContact O-N 3.12Å; L501-C503 PolarHBondContact O-SG 3.02Å
502	V	98.5	Very high	96.7	Very high	10 Å²	10	25.7 Å²	25.7	6%	0.061	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	109.8	179	-171.6	0	0	0	0	108.2	L147 V471 S473 D500	L147-V502 HydrophobicContact CB-CB 4.45Å; L147-V502 HydrophobicContact CB-CG1 4.45Å; L147-V502 HydrophobicContact CB-CG2 4.22Å; L147-V502 WeakPolarHBondContact O-CB 3.47Å; L147-V502 WeakPolarHBondContact O-CG1 3.2Å; V471-V502 PolarHBondContact O-N 3.02Å; S473-V502 VanDerWaalsContact CB-O 3.23Å; S473-V502 WeakPolarHBondContact CB-O 3.47Å; S473-V502 PolarHBondContact N-O 3.49Å; S473-V502 PolarHBondContact OG-O 3.26Å; D500-V502 PolarHBondContact O-N 3.08Å; D500-V502 VanDerWaalsContact O-N 3.08Å; D500-V502 WeakPolarHBondContact OD2-CG2 3.36Å
503	C	98.2	Very high	96.6	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.118	C	C	.	.			trans	-142.9	-159.8	-164.6	67	0	0	0	0	110.8	G278 C279 N439 N440 Q441 S473 L501	G278-C503 WeakPolarHBondContact O-CB 3.5Å; C279-C503 HydrophobicContact CB-CB 3.76Å; C279-C503 VanDerWaalsContact SG-SG 3.64Å; N439-C503 PolarHBondContact O-N 3.36Å; N439-C503 PolarHBondContact O-SG 3.23Å; N440-C503 VanDerWaalsContact CA-SG 3.5Å; N440-C503 PolarHBondContact N-SG 3.32Å; Q441-C503 PolarHBondContact NE2-O 2.79Å; S473-C503 WeakPolarHBondContact OG-CB 3.35Å; L501-C503 WeakPolarHBondContact O-CB 3.38Å; L501-C503 PolarHBondContact O-N 3.44Å; L501-C503 VanDerWaalsContact O-N 3.12Å; L501-C503 PolarHBondContact O-SG 3.02Å
504	Y	97.8	Very high	96.5	Very high	1 Å²	1	26.8 Å²	26.8	0%	0.004	13%	0.128	C	C	.	.			trans	-145.5	179.7	173	57.6	-85.6	0	0	0	111.9	P149 L150 G278 R308 R506 I526 Q529	P149-Y504 HydrophobicContact CB-CD1 4.29Å; P149-Y504 HydrophobicContact CB-CE1 4.38Å; P149-Y504 HydrophobicContact CG-CD1 3.86Å; P149-Y504 HydrophobicContact CG-CE1 4.39Å; L150-Y504 HydrophobicContact CD2-CD1 3.86Å; L150-Y504 HydrophobicContact CD2-CE1 4.49Å; L150-Y504 HydrophobicContact CD2-CG 3.89Å; L150-Y504 HydrophobicContact CG-CD1 4.5Å; G278-Y504 CarbonylContact C-O 3.46Å; G278-Y504 VanDerWaalsContact CA-CE2 3.42Å; G278-Y504 PolarHBondContact O-N 3.49Å; R308-Y504 PolarHBondContact NH2-O 2.96Å; Y504-R506 PolarHBondContact OH-NH2 2.88Å; Y504-I526 HydrophobicContact CD2-CB 4.5Å; Y504-I526 HydrophobicContact CD2-CD1 4.4Å; Y504-I526 HydrophobicContact CD2-CG1 4Å; Y504-I526 HydrophobicContact CD2-CG2 3.85Å; Y504-I526 HydrophobicContact CE2-CG2 4.12Å; Y504-I526 HydrophobicContact CG-CG1 4.32Å; Y504-Q529 HydrophobicContact CE2-CB 4.39Å
505	R	97.4	Very high	96.4	Very high	11 Å²	11	24.9 Å²	24.9	4%	0.042	12%	0.12	C	C	.	.			trans	-121.9	113.9	174.8	-168.6	176.1	70.8	-144.7	9	109.2	N440 I442 F444 N507 G508 Y523	N440-R505 HydrophobicContact CB-CB 4.33Å; I442-R505 PolarHBondContact O-NH1 3.27Å; F444-R505 PolarHBondContact O-NH2 2.86Å; R505-N507 VanDerWaalsContact C-N 3.29Å; R505-N507 PolarHBondContact NE-O 2.98Å; R505-N507 PolarHBondContact O-N 3.25Å; R505-G508 WeakPolarHBondContact CD-O 3.33Å; R505-G508 VanDerWaalsContact NE-C 3.34Å; R505-G508 PolarHBondContact NE-O 3.2Å; R505-Y523 PolarHBondContact NE-OH 3.36Å; R505-Y523 PolarHBondContact NH2-OH 3.31Å; R505-Y523 VanDerWaalsContact O-CE1 3.24Å; R505-Y523 WeakPolarHBondContact O-CE1 3.37Å; R505-Y523 PolarHBondContact O-OH 2.86Å
506	R	95.8	Very high	96.4	Very high	61 Å²	61	24.3 Å²	24.3	23%	0.23	12%	0.119	C	C	.	.	S	Bend	trans	-60.4	-39.2	-175.7	-174	62.7	66.3	169.2	4.6	112.9	E277 Y504 I526 Q529	E277-R506 HydrophobicContact CB-CB 3.49Å; E277-R506 VanDerWaalsContact CB-CB 3.49Å; E277-R506 HydrophobicContact CB-CG 4.16Å; E277-R506 PolarHBondContact O-N 2.84Å; Y504-R506 PolarHBondContact OH-NH2 2.88Å; R506-I526 PolarHBondContact NH1-O 3.39Å; R506-Q529 PolarHBondContact NH1-O 2.93Å; R506-Q529 PolarHBondContact NH2-O 2.98Å
507	N	94.5	Very high	96.3	Very high	44 Å²	44	32.5 Å²	32.5	24%	0.235	15%	0.154	C	C	.	.	S	Bend	trans	-107.4	-175.6	-172.9	-52.2	-36	0	0	0	111.1	E277 R505 Y523	E277-N507 PolarHBondContact OE1-ND2 2.88Å; R505-N507 VanDerWaalsContact C-N 3.29Å; R505-N507 PolarHBondContact NE-O 2.98Å; R505-N507 PolarHBondContact O-N 3.25Å; N507-Y523 VanDerWaalsContact O-CE1 3.32Å; N507-Y523 WeakPolarHBondContact O-CE1 3.17Å; N507-Y523 PolarHBondContact O-OH 3.19Å
508	G	94.6	Very high	96.2	Very high	5 Å²	5	35.8 Å²	35.8	5%	0.052	17%	0.174	C	C	.	.			trans	-60	-175.4	166.7	0	0	0	0	0	113.1	R505 N510 D513	R505-G508 WeakPolarHBondContact CD-O 3.33Å; R505-G508 VanDerWaalsContact NE-C 3.34Å; R505-G508 PolarHBondContact NE-O 3.2Å; G508-N510 CarbonylContact C-O 3.28Å; G508-N510 VanDerWaalsContact C-O 3.28Å; G508-N510 WeakPolarHBondContact CA-O 3.28Å; G508-N510 PolarHBondContact O-N 3.16Å; G508-D513 WeakPolarHBondContact CA-O 3.44Å
509	H	94.9	Very high	96.1	Very high	36 Å²	36	36.7 Å²	36.7	17%	0.167	18%	0.178	C	C	.	.	S	Bend	trans	-61.2	-34.5	177.7	175.5	61.3	0	0	0	111.7	F274 H307 F444 D513	F274-H509 WeakPolarHBondContact CD1-O 3.42Å; F274-H509 AromaticContact CE1-CD2 3.89Å; F274-H509 AromaticContact CE1-NE2 3.55Å; F274-H509 WeakPolarHBondContact CE1-O 3.41Å; H307-H509 AromaticContact CE1-CE1 3.99Å; H307-H509 AromaticContact NE2-CE1 3.62Å; F444-H509 HydrophobicContact CD2-CB 3.91Å; F444-H509 AromaticContact CD2-CD2 3.11Å; F444-H509 WeakPolarHBondContact CD2-CD2 3.16Å; F444-H509 AromaticContact CD2-CG 3.43Å; F444-H509 VanDerWaalsContact CD2-CG 3.43Å; F444-H509 AromaticContact CD2-NE2 3.69Å; F444-H509 HydrophobicContact CE2-CB 4.17Å; F444-H509 AromaticContact CE2-CD2 3.35Å; F444-H509 WeakPolarHBondContact CE2-CD2 3.35Å; F444-H509 AromaticContact CE2-CG 3.92Å; F444-H509 HydrophobicContact CG-CB 4.25Å; H509-D513 PolarHBondContact N-OD2 2.92Å
510	N	92.8	Very high	96	Very high	16 Å²	16	39.1 Å²	39.1	9%	0.086	19%	0.194	C	C	.	.	S	Bend	trans	-123.8	170.9	157.8	64.8	102	0	0	0	108.1	K272 F274 G508 M512 D513	K272-N510 HydrophobicContact CB-CB 4.35Å; K272-N510 HydrophobicContact CD-CB 3.99Å; K272-N510 WeakPolarHBondContact CE-OD1 3.12Å; K272-N510 HydrophobicContact CG-CB 4.01Å; F274-N510 HydrophobicContact CD1-CB 4.46Å; F274-N510 HydrophobicContact CE1-CB 3.97Å; F274-N510 HydrophobicContact CZ-CB 4.3Å; G508-N510 CarbonylContact C-O 3.28Å; G508-N510 VanDerWaalsContact C-O 3.28Å; G508-N510 WeakPolarHBondContact CA-O 3.28Å; G508-N510 PolarHBondContact O-N 3.16Å; N510-M512 PolarHBondContact O-N 3.14Å; N510-M512 VanDerWaalsContact O-N 3.14Å; N510-M512 PolarHBondContact OD1-N 3.22Å; N510-D513 WeakPolarHBondContact O-CB 3.46Å; N510-D513 PolarHBondContact O-N 2.94Å; N510-D513 VanDerWaalsContact O-N 3.12Å
511	E	92.8	Very high	95.8	Very high	29 Å²	29	45.4 Å²	45.4	14%	0.136	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-12.3	-167.2	-63.5	75.8	-163.1	0	0	114.4	K272 R273 F274 G275	K272-E511 WeakPolarHBondContact CA-OE2 3.25Å; R273-E511 HydrophobicContact CG-CG 4.27Å; R273-E511 VanDerWaalsContact CG-OE1 3.3Å; R273-E511 WeakPolarHBondContact CG-OE1 3.39Å; R273-E511 PolarHBondContact N-OE2 3.45Å; F274-E511 VanDerWaalsContact CA-OE1 3.26Å; F274-E511 WeakPolarHBondContact CA-OE1 3.36Å; F274-E511 PolarHBondContact N-OE1 3.01Å; F274-E511 PolarHBondContact N-OE2 3.29Å; G275-E511 PolarHBondContact N-OE1 3.3Å
512	M	91.1	Very high	95.7	Very high	124 Å²	124	46.2 Å²	46.2	61%	0.611	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.7	4.2	176	-63.5	-61.4	-64.2	0	0	113.8	N510	N510-M512 PolarHBondContact O-N 3.14Å; N510-M512 VanDerWaalsContact O-N 3.14Å; N510-M512 PolarHBondContact OD1-N 3.22Å
513	D	94.5	Very high	95.7	Very high	44 Å²	44	46 Å²	46	24%	0.235	23%	0.229	C	C	.	.			trans	-94.7	141.4	180	174.6	51.5	0	0	0	111.1	G508 H509 N510 P515	G508-D513 WeakPolarHBondContact CA-O 3.44Å; H509-D513 PolarHBondContact N-OD2 2.92Å; N510-D513 WeakPolarHBondContact O-CB 3.46Å; N510-D513 PolarHBondContact O-N 2.94Å; N510-D513 VanDerWaalsContact O-N 3.12Å; D513-P515 VanDerWaalsContact O-CD 3.23Å; D513-P515 WeakPolarHBondContact O-CD 3.45Å
514	E	95.9	Very high	95.6	Very high	74 Å²	74	51.4 Å²	51.4	35%	0.346	25%	0.253	S	S	.	.			trans	-107.1	92.9	-178.6	174.8	49.8	-80	0	0	110.7	M516 F517 R527	E514-M516 PolarHBondContact O-N 3.03Å; E514-M516 VanDerWaalsContact OE1-CB 3.23Å; E514-M516 WeakPolarHBondContact OE1-CB 3.09Å; E514-M516 WeakPolarHBondContact OE1-CG 3.4Å; E514-M516 PolarHBondContact OE1-N 3.21Å; E514-F517 HydrophobicContact CB-CD2 4.2Å; E514-F517 HydrophobicContact CB-CE2 3.81Å; E514-F517 HydrophobicContact CB-CZ 4.04Å; E514-F517 HydrophobicContact CG-CD1 4.27Å; E514-F517 HydrophobicContact CG-CD2 4.32Å; E514-F517 HydrophobicContact CG-CE1 3.95Å; E514-F517 HydrophobicContact CG-CE2 4.03Å; E514-F517 HydrophobicContact CG-CG 4.44Å; E514-F517 HydrophobicContact CG-CZ 3.83Å; E514-F517 VanDerWaalsContact O-CD2 3.31Å; E514-F517 WeakPolarHBondContact O-CD2 3.43Å; E514-F517 PolarHBondContact O-N 3.09Å; E514-R527 IonicContact OE1-NH2 3.43Å; E514-R527 IonicContact OE2-NH2 3.57Å; E514-R527 PolarHBondContact OE2-NH2 3.42Å
515	P	96.1	Very high	95.6	Very high	6 Å²	6	54 Å²	54	4%	0.039	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-74	-9.8	-172.5	32.5	-38.3	0	0	0	113.4	D513 F517 T518 Q519 Y523	D513-P515 VanDerWaalsContact O-CD 3.23Å; D513-P515 WeakPolarHBondContact O-CD 3.45Å; P515-F517 PolarHBondContact O-N 3.08Å; P515-T518 PolarHBondContact O-N 2.55Å; P515-Q519 PolarHBondContact O-N 3.49Å; P515-Y523 HydrophobicContact CB-CD1 4.37Å; P515-Y523 HydrophobicContact CB-CD2 3.81Å; P515-Y523 HydrophobicContact CB-CE1 4.05Å; P515-Y523 HydrophobicContact CB-CE2 3.45Å; P515-Y523 VanDerWaalsContact CB-CE2 3.45Å; P515-Y523 HydrophobicContact CB-CG 4.24Å; P515-Y523 HydrophobicContact CG-CD1 3.53Å; P515-Y523 HydrophobicContact CG-CD2 3.86Å; P515-Y523 HydrophobicContact CG-CE1 3.33Å; P515-Y523 HydrophobicContact CG-CE2 3.7Å; P515-Y523 HydrophobicContact CG-CG 3.78Å
516	M	96.8	Very high	95.6	Very high	45 Å²	45	53.6 Å²	53.6	22%	0.222	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-68.1	-12.3	174.8	-67.2	-161.1	66.4	0	0	113.5	E514 T518 P520 K524 R527	E514-M516 PolarHBondContact O-N 3.03Å; E514-M516 VanDerWaalsContact OE1-CB 3.23Å; E514-M516 WeakPolarHBondContact OE1-CB 3.09Å; E514-M516 WeakPolarHBondContact OE1-CG 3.4Å; E514-M516 PolarHBondContact OE1-N 3.21Å; M516-T518 VanDerWaalsContact C-N 3.28Å; M516-T518 PolarHBondContact O-N 2.9Å; M516-P520 HydrophobicContact CE-CB 4.29Å; M516-P520 WeakPolarHBondContact O-CB 3.49Å; M516-K524 HydrophobicContact CE-CG 3.86Å; M516-R527 PolarHBondContact SD-NH2 3.02Å; M516-R527 VanDerWaalsContact SD-NH2 3.38Å
517	F	97.2	Very high	95.6	Very high	177 Å²	177	58.6 Å²	58.6	78%	0.776	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-65.7	-29.6	170.9	-61.2	-31.4	0	0	0	113	E514 P515	E514-F517 HydrophobicContact CB-CD2 4.2Å; E514-F517 HydrophobicContact CB-CE2 3.81Å; E514-F517 HydrophobicContact CB-CZ 4.04Å; E514-F517 HydrophobicContact CG-CD1 4.27Å; E514-F517 HydrophobicContact CG-CD2 4.32Å; E514-F517 HydrophobicContact CG-CE1 3.95Å; E514-F517 HydrophobicContact CG-CE2 4.03Å; E514-F517 HydrophobicContact CG-CG 4.44Å; E514-F517 HydrophobicContact CG-CZ 3.83Å; E514-F517 VanDerWaalsContact O-CD2 3.31Å; E514-F517 WeakPolarHBondContact O-CD2 3.43Å; E514-F517 PolarHBondContact O-N 3.09Å; P515-F517 PolarHBondContact O-N 3.08Å
518	T	96.5	Very high	95.7	Very high	69 Å²	69	64 Å²	64	42%	0.423	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122	-32.3	-175.5	46.3	0	0	0	0	113.7	T445 P515 M516 P520	T445-T518 WeakPolarHBondContact CB-OG1 3.13Å; T445-T518 HydrophobicContact CG2-CG2 4.32Å; T445-T518 WeakPolarHBondContact CG2-OG1 3.5Å; P515-T518 PolarHBondContact O-N 2.55Å; M516-T518 VanDerWaalsContact C-N 3.28Å; M516-T518 PolarHBondContact O-N 2.9Å; T518-P520 WeakPolarHBondContact O-CD 3.42Å
519	Q	96.6	Very high	95.8	Very high	18 Å²	18	65.1 Å²	65.1	8%	0.084	31%	0.308	C	S	.	.			trans	-120.4	50.7	179.5	-80.1	76.6	33.6	0	0	113.8	I442 T445 P515 L521 M522 Y523	I442-Q519 HydrophobicContact CD1-CB 4.35Å; I442-Q519 HydrophobicContact CD1-CG 3.86Å; T445-Q519 PolarHBondContact O-NE2 2.87Å; T445-Q519 PolarHBondContact O-OE1 3.47Å; P515-Q519 PolarHBondContact O-N 3.49Å; Q519-L521 VanDerWaalsContact C-N 3.28Å; Q519-L521 PolarHBondContact O-N 3.41Å; Q519-L521 VanDerWaalsContact O-N 3.14Å; Q519-M522 HydrophobicContact CB-CB 4.19Å; Q519-M522 HydrophobicContact CB-SD 4.3Å; Q519-M522 HydrophobicContact CG-SD 4.27Å; Q519-M522 PolarHBondContact O-N 3.4Å; Q519-Y523 HydrophobicContact CB-CD2 3.86Å; Q519-Y523 HydrophobicContact CB-CE2 4.1Å; Q519-Y523 WeakPolarHBondContact O-CD2 3.46Å; Q519-Y523 PolarHBondContact O-N 3.41Å; Q519-Y523 VanDerWaalsContact O-N 3.08Å
520	P	96.6	Very high	95.8	Very high	51 Å²	51	67 Å²	67	33%	0.331	32%	0.315	S	S	.	.	H	α-helix	trans	-62.8	-25.2	-172.9	24.5	-34.5	0	0	0	115.2	M516 T518 K524	M516-P520 HydrophobicContact CE-CB 4.29Å; M516-P520 WeakPolarHBondContact O-CB 3.49Å; T518-P520 WeakPolarHBondContact O-CD 3.42Å; P520-K524 WeakPolarHBondContact O-CB 3.43Å; P520-K524 VanDerWaalsContact O-CD 3.3Å; P520-K524 WeakPolarHBondContact O-CD 3.42Å; P520-K524 WeakPolarHBondContact O-CG 3.22Å; P520-K524 PolarHBondContact O-N 3.27Å
521	L	95.4	Very high	95.9	Very high	133 Å²	133	68.4 Å²	68.4	70%	0.696	33%	0.325	S	S	*	.	H	α-helix	trans	-81.4	-47.1	178.8	-62.5	-176.9	0	0	0	111.9	Q519 Y523 K524 Q525	Q519-L521 VanDerWaalsContact C-N 3.28Å; Q519-L521 PolarHBondContact O-N 3.41Å; Q519-L521 VanDerWaalsContact O-N 3.14Å; L521-Y523 VanDerWaalsContact C-N 3.33Å; L521-Y523 PolarHBondContact O-N 3.45Å; L521-K524 WeakPolarHBondContact O-CB 3.5Å; L521-K524 PolarHBondContact O-N 3.1Å; L521-Q525 PolarHBondContact O-N 3.25Å; L521-Q525 VanDerWaalsContact O-N 3.16Å
522	M	96.4	Very high	96.1	Very high	16 Å²	16	67.1 Å²	67.1	8%	0.079	32%	0.32	C	S	.	.	H	α-helix	trans	-54.3	-49.3	173.4	177.4	-176.7	-165.3	0	0	110.8	L150 I152 N440 Q441 I442 Q519 K524 Q525 I526	L150-M522 HydrophobicContact CD1-CE 4.14Å; L150-M522 HydrophobicContact CD1-CG 4Å; I152-M522 HydrophobicContact CD1-CB 3.71Å; I152-M522 HydrophobicContact CD1-CG 3.66Å; N440-M522 WeakPolarHBondContact O-CE 3.37Å; Q441-M522 HydrophobicContact CB-CE 3.97Å; I442-M522 HydrophobicContact CB-CE 4.18Å; I442-M522 HydrophobicContact CB-SD 4.36Å; I442-M522 HydrophobicContact CG2-CE 3.78Å; I442-M522 HydrophobicContact CG2-SD 4.38Å; Q519-M522 HydrophobicContact CB-CB 4.19Å; Q519-M522 HydrophobicContact CB-SD 4.3Å; Q519-M522 HydrophobicContact CG-SD 4.27Å; Q519-M522 PolarHBondContact O-N 3.4Å; M522-K524 PolarHBondContact O-N 3.35Å; M522-Q525 WeakPolarHBondContact O-CA 3.46Å; M522-Q525 WeakPolarHBondContact O-CB 3.48Å; M522-Q525 PolarHBondContact O-N 3.32Å; M522-I526 HydrophobicContact CE-CD1 4.16Å; M522-I526 HydrophobicContact CG-CD1 3.71Å; M522-I526 HydrophobicContact CG-CG1 4.47Å; M522-I526 WeakPolarHBondContact O-CG1 3.41Å; M522-I526 PolarHBondContact O-N 3.36Å
523	Y	97.5	Very high	96.4	Very high	5 Å²	5	61.6 Å²	61.6	2%	0.02	29%	0.292	C	S	.	.	H	α-helix	trans	-74.4	-23.7	-178.5	-78.8	-91.5	0	0	0	114.2	I442 R505 N507 P515 Q519 L521 Q525 I526 R527	I442-Y523 HydrophobicContact CD1-CE2 4.21Å; R505-Y523 PolarHBondContact NE-OH 3.36Å; R505-Y523 PolarHBondContact NH2-OH 3.31Å; R505-Y523 VanDerWaalsContact O-CE1 3.24Å; R505-Y523 WeakPolarHBondContact O-CE1 3.37Å; R505-Y523 PolarHBondContact O-OH 2.86Å; N507-Y523 VanDerWaalsContact O-CE1 3.32Å; N507-Y523 WeakPolarHBondContact O-CE1 3.17Å; N507-Y523 PolarHBondContact O-OH 3.19Å; P515-Y523 HydrophobicContact CB-CD1 4.37Å; P515-Y523 HydrophobicContact CB-CD2 3.81Å; P515-Y523 HydrophobicContact CB-CE1 4.05Å; P515-Y523 HydrophobicContact CB-CE2 3.45Å; P515-Y523 VanDerWaalsContact CB-CE2 3.45Å; P515-Y523 HydrophobicContact CB-CG 4.24Å; P515-Y523 HydrophobicContact CG-CD1 3.53Å; P515-Y523 HydrophobicContact CG-CD2 3.86Å; P515-Y523 HydrophobicContact CG-CE1 3.33Å; P515-Y523 HydrophobicContact CG-CE2 3.7Å; P515-Y523 HydrophobicContact CG-CG 3.78Å; Q519-Y523 HydrophobicContact CB-CD2 3.86Å; Q519-Y523 HydrophobicContact CB-CE2 4.1Å; Q519-Y523 WeakPolarHBondContact O-CD2 3.46Å; Q519-Y523 PolarHBondContact O-N 3.41Å; Q519-Y523 VanDerWaalsContact O-N 3.08Å; L521-Y523 VanDerWaalsContact C-N 3.33Å; L521-Y523 PolarHBondContact O-N 3.45Å; Y523-Q525 VanDerWaalsContact C-N 3.25Å; Y523-Q525 PolarHBondContact O-N 2.85Å; Y523-I526 HydrophobicContact CD1-CB 4.48Å; Y523-I526 HydrophobicContact CD1-CD1 4.02Å; Y523-I526 HydrophobicContact CD2-CD1 4.34Å; Y523-I526 HydrophobicContact CE1-CD1 3.95Å; Y523-I526 HydrophobicContact CE2-CD1 4.27Å; Y523-I526 HydrophobicContact CG-CD1 4.23Å; Y523-R527 WeakPolarHBondContact O-CB 3.49Å; Y523-R527 VanDerWaalsContact O-CG 3.25Å; Y523-R527 WeakPolarHBondContact O-CG 3.2Å; Y523-R527 PolarHBondContact O-N 3.42Å
524	K	97.4	Very high	96.5	Very high	115 Å²	115	63.3 Å²	63.3	50%	0.5	30%	0.299	S	S	.	.	H	α-helix	trans	-64.9	-28.5	165	-82.1	169.9	-172.2	178.3	0	112.8	M516 P520 L521 M522	M516-K524 HydrophobicContact CE-CG 3.86Å; P520-K524 WeakPolarHBondContact O-CB 3.43Å; P520-K524 VanDerWaalsContact O-CD 3.3Å; P520-K524 WeakPolarHBondContact O-CD 3.42Å; P520-K524 WeakPolarHBondContact O-CG 3.22Å; P520-K524 PolarHBondContact O-N 3.27Å; L521-K524 WeakPolarHBondContact O-CB 3.5Å; L521-K524 PolarHBondContact O-N 3.1Å; M522-K524 PolarHBondContact O-N 3.35Å
525	Q	97.2	Very high	96.6	Very high	56 Å²	56	62.6 Å²	62.6	26%	0.262	30%	0.295	S	S	.	.	H	α-helix	trans	-83.4	-44.2	175.7	-169.6	70.1	-17.4	0	0	111.2	L150 I152 L521 M522 Y523 R527 K528 Q529	L150-Q525 HydrophobicContact CB-CG 4.27Å; L150-Q525 VanDerWaalsContact O-CG 3.26Å; L150-Q525 WeakPolarHBondContact O-CG 3.47Å; L150-Q525 PolarHBondContact O-NE2 3.06Å; I152-Q525 HydrophobicContact CG2-CB 4.24Å; I152-Q525 HydrophobicContact CG2-CG 4.05Å; L521-Q525 PolarHBondContact O-N 3.25Å; L521-Q525 VanDerWaalsContact O-N 3.16Å; M522-Q525 WeakPolarHBondContact O-CA 3.46Å; M522-Q525 WeakPolarHBondContact O-CB 3.48Å; M522-Q525 PolarHBondContact O-N 3.32Å; Y523-Q525 VanDerWaalsContact C-N 3.25Å; Y523-Q525 PolarHBondContact O-N 2.85Å; Q525-R527 VanDerWaalsContact C-N 3.29Å; Q525-R527 PolarHBondContact O-N 2.99Å; Q525-K528 WeakPolarHBondContact O-CA 3.32Å; Q525-K528 WeakPolarHBondContact O-CB 3.36Å; Q525-K528 PolarHBondContact O-N 3.36Å; Q525-Q529 PolarHBondContact O-N 3.14Å
526	I	97.6	Very high	96.6	Very high	1 Å²	1	62.5 Å²	62.5	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-57.6	-39.2	174.1	-66.9	166.3	0	0	0	111.6	L150 Y504 R506 M522 Y523 K528 Q529	L150-I526 HydrophobicContact CD1-CD1 4.13Å; L150-I526 HydrophobicContact CD1-CG1 3.87Å; L150-I526 HydrophobicContact CD2-CG1 3.67Å; L150-I526 HydrophobicContact CG-CG1 4.46Å; Y504-I526 HydrophobicContact CD2-CB 4.5Å; Y504-I526 HydrophobicContact CD2-CD1 4.4Å; Y504-I526 HydrophobicContact CD2-CG1 4Å; Y504-I526 HydrophobicContact CD2-CG2 3.85Å; Y504-I526 HydrophobicContact CE2-CG2 4.12Å; Y504-I526 HydrophobicContact CG-CG1 4.32Å; R506-I526 PolarHBondContact NH1-O 3.39Å; M522-I526 HydrophobicContact CE-CD1 4.16Å; M522-I526 HydrophobicContact CG-CD1 3.71Å; M522-I526 HydrophobicContact CG-CG1 4.47Å; M522-I526 WeakPolarHBondContact O-CG1 3.41Å; M522-I526 PolarHBondContact O-N 3.36Å; Y523-I526 HydrophobicContact CD1-CB 4.48Å; Y523-I526 HydrophobicContact CD1-CD1 4.02Å; Y523-I526 HydrophobicContact CD2-CD1 4.34Å; Y523-I526 HydrophobicContact CE1-CD1 3.95Å; Y523-I526 HydrophobicContact CE2-CD1 4.27Å; Y523-I526 HydrophobicContact CG-CD1 4.23Å; I526-K528 PolarHBondContact O-N 3.27Å; I526-K528 VanDerWaalsContact O-N 3.14Å; I526-Q529 PolarHBondContact O-N 3.14Å
527	R	96.4	Very high	96.7	Very high	166 Å²	166	60.6 Å²	60.6	63%	0.626	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-13.8	174.6	-74	178.9	-170.4	-152.6	6.7	114	E514 M516 Y523 Q525	E514-R527 IonicContact OE1-NH2 3.43Å; E514-R527 IonicContact OE2-NH2 3.57Å; E514-R527 PolarHBondContact OE2-NH2 3.42Å; M516-R527 PolarHBondContact SD-NH2 3.02Å; M516-R527 VanDerWaalsContact SD-NH2 3.38Å; Y523-R527 WeakPolarHBondContact O-CB 3.49Å; Y523-R527 VanDerWaalsContact O-CG 3.25Å; Y523-R527 WeakPolarHBondContact O-CG 3.2Å; Y523-R527 PolarHBondContact O-N 3.42Å; Q525-R527 VanDerWaalsContact C-N 3.29Å; Q525-R527 PolarHBondContact O-N 2.99Å
528	K	96.1	Very high	96.6	Very high	158 Å²	158	56.4 Å²	56.4	69%	0.687	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	-13.8	170.4	-57.8	172.8	-169.9	169	0	113.4	Q525 I526 K530	Q525-K528 WeakPolarHBondContact O-CA 3.32Å; Q525-K528 WeakPolarHBondContact O-CB 3.36Å; Q525-K528 PolarHBondContact O-N 3.36Å; I526-K528 PolarHBondContact O-N 3.27Å; I526-K528 VanDerWaalsContact O-N 3.14Å; K528-K530 PolarHBondContact O-N 3.28Å
529	Q	95.6	Very high	96.6	Very high	29 Å²	29	56.4 Å²	56.4	14%	0.136	27%	0.265	C	S	.	.			trans	-72.2	115.4	-174.2	-79.1	-64.7	-9.6	0	0	111.9	P149 L150 Y504 R506 Q525 I526	P149-Q529 PolarHBondContact O-NE2 2.89Å; L150-Q529 HydrophobicContact CD2-CG 3.66Å; Y504-Q529 HydrophobicContact CE2-CB 4.39Å; R506-Q529 PolarHBondContact NH1-O 2.93Å; R506-Q529 PolarHBondContact NH2-O 2.98Å; Q525-Q529 PolarHBondContact O-N 3.14Å; I526-Q529 PolarHBondContact O-N 3.14Å
530	K	95.8	Very high	96.7	Very high	74 Å²	74	55.6 Å²	55.6	32%	0.322	26%	0.261	S	S	.	.			trans	-58.6	131.2	167.7	-170.1	171.7	-162.8	166.8	0	109.8	K528 Q534 K535 E538	K528-K530 PolarHBondContact O-N 3.28Å; K530-Q534 HydrophobicContact CG-CB 4.26Å; K530-Q534 HydrophobicContact CG-CG 4.49Å; K530-K535 HydrophobicContact CB-CG 4.29Å; K530-K535 HydrophobicContact CD-CG 4.22Å; K530-K535 HydrophobicContact CG-CG 4.15Å; K530-K535 WeakPolarHBondContact O-CE 3.49Å; K530-K535 PolarHBondContact O-NZ 2.92Å; K530-E538 WeakPolarHBondContact CE-OE1 3.39Å; K530-E538 WeakPolarHBondContact CE-OE2 3.33Å; K530-E538 IonicContact NZ-OE1 2.58Å; K530-E538 PolarHBondContact NZ-OE1 3.33Å; K530-E538 IonicContact NZ-OE2 3.95Å; K530-E538 PolarHBondContact NZ-OE2 3.27Å
531	P	95.3	Very high	96.7	Very high	46 Å²	46	56 Å²	56	30%	0.299	26%	0.263	S	S	.	.			trans	-61.2	146.7	-179.7	-24	34.5	0	0	0	113	L533 Q534 K535	P531-L533 VanDerWaalsContact C-N 3.29Å; P531-L533 PolarHBondContact O-N 2.86Å; P531-Q534 PolarHBondContact O-N 2.97Å; P531-K535 PolarHBondContact O-N 3.44Å
532	V	96.6	Very high	96.8	Very high	2 Å²	2	54.3 Å²	54.3	1%	0.012	26%	0.262	C	S	.	.	H	α-helix	trans	-57.8	-38.8	-178.1	64.1	0	0	0	0	112.8	L254 E280 D474 P476 Q534 K535 Y536	L254-V532 HydrophobicContact CD2-CG1 4.43Å; E280-V532 HydrophobicContact CB-CG1 3.93Å; D474-V532 WeakPolarHBondContact OD1-CB 3.25Å; P476-V532 HydrophobicContact CG-CG2 3.54Å; V532-Q534 VanDerWaalsContact C-N 3.3Å; V532-Q534 PolarHBondContact O-N 3.03Å; V532-K535 PolarHBondContact O-N 2.82Å; V532-Y536 WeakPolarHBondContact O-CB 3.37Å; V532-Y536 PolarHBondContact O-N 3.25Å
533	L	97.5	Very high	96.8	Very high	8 Å²	8	58 Å²	58	4%	0.042	28%	0.28	C	S	.	.	H	α-helix	trans	-58.1	-42.2	175.3	176.1	61.2	0	0	0	111.9	L251 L254 V255 T258 P531 Y536 A537 Y551	L251-L533 HydrophobicContact CD1-CD1 3.87Å; L254-L533 HydrophobicContact CB-CD1 3.82Å; V255-L533 HydrophobicContact CG2-CD1 3.75Å; V255-L533 HydrophobicContact CG2-CD2 4.28Å; T258-L533 HydrophobicContact CG2-CB 4.47Å; T258-L533 HydrophobicContact CG2-CD2 4.09Å; P531-L533 VanDerWaalsContact C-N 3.29Å; P531-L533 PolarHBondContact O-N 2.86Å; L533-Y536 PolarHBondContact O-N 3.24Å; L533-A537 VanDerWaalsContact O-CB 3.31Å; L533-A537 WeakPolarHBondContact O-CB 3.44Å; L533-A537 PolarHBondContact O-N 2.6Å; L533-Y551 HydrophobicContact CD1-CE2 4.13Å; L533-Y551 HydrophobicContact CG-CE2 4.32Å
534	Q	96.6	Very high	96.7	Very high	81 Å²	81	61 Å²	61	38%	0.379	31%	0.311	S	S	.	.	H	α-helix	trans	-72.8	-39.8	179.6	-165	-171.2	-6.3	0	0	111.6	K530 P531 V532 Y536 E538	K530-Q534 HydrophobicContact CG-CB 4.26Å; K530-Q534 HydrophobicContact CG-CG 4.49Å; P531-Q534 PolarHBondContact O-N 2.97Å; V532-Q534 VanDerWaalsContact C-N 3.3Å; V532-Q534 PolarHBondContact O-N 3.03Å; Q534-Y536 VanDerWaalsContact C-N 3.26Å; Q534-Y536 PolarHBondContact O-N 3.01Å; Q534-E538 WeakPolarHBondContact CG-OE1 3.05Å; Q534-E538 PolarHBondContact NE2-OE1 3.49Å; Q534-E538 WeakPolarHBondContact O-CG 3.33Å; Q534-E538 PolarHBondContact O-N 3.09Å; Q534-E538 VanDerWaalsContact O-N 3.17Å
535	K	96.6	Very high	96.7	Very high	59 Å²	59	55.8 Å²	55.8	26%	0.257	29%	0.289	S	S	.	.	H	α-helix	trans	-55.4	-44.4	172.3	-69.4	175.4	177	168.6	0	110.7	D474 K530 P531 V532 L539	D474-K535 HydrophobicContact CB-CD 4.2Å; D474-K535 IonicContact OD1-NZ 3.67Å; D474-K535 PolarHBondContact OD1-NZ 3.14Å; D474-K535 VanDerWaalsContact OD1-NZ 3.1Å; D474-K535 IonicContact OD2-NZ 2.79Å; D474-K535 PolarHBondContact OD2-NZ 3.41Å; K530-K535 HydrophobicContact CB-CG 4.29Å; K530-K535 HydrophobicContact CD-CG 4.22Å; K530-K535 HydrophobicContact CG-CG 4.15Å; K530-K535 WeakPolarHBondContact O-CE 3.49Å; K530-K535 PolarHBondContact O-NZ 2.92Å; P531-K535 PolarHBondContact O-N 3.44Å; V532-K535 PolarHBondContact O-N 2.82Å; K535-L539 PolarHBondContact O-N 3.42Å
536	Y	97.9	Very high	96.6	Very high	3 Å²	3	53.6 Å²	53.6	1%	0.012	28%	0.28	C	S	.	.	H	α-helix	trans	-76.7	-40	-177.2	-162.3	-115	0	0	0	113.8	K247 L250 L251 L254 P476 E477 V532 L533 Q534 E538 L539 L540	K247-Y536 WeakPolarHBondContact CA-OH 3.22Å; L250-Y536 HydrophobicContact CB-CE1 4.11Å; L250-Y536 HydrophobicContact CD2-CE1 4.11Å; L250-Y536 HydrophobicContact CD2-CE2 4.39Å; L250-Y536 HydrophobicContact CG-CE1 3.86Å; L251-Y536 HydrophobicContact CB-CD1 4.34Å; L251-Y536 HydrophobicContact CB-CE1 4.27Å; L251-Y536 HydrophobicContact CD1-CD1 4.23Å; L254-Y536 HydrophobicContact CD1-CD1 3.72Å; L254-Y536 HydrophobicContact CD1-CE1 4.49Å; L254-Y536 HydrophobicContact CD1-CG 4.03Å; P476-Y536 HydrophobicContact CB-CD2 4.22Å; P476-Y536 HydrophobicContact CB-CE2 4.43Å; P476-Y536 HydrophobicContact CB-CG 4.47Å; P476-Y536 HydrophobicContact CG-CD2 3.99Å; P476-Y536 HydrophobicContact CG-CG 4.1Å; E477-Y536 HydrophobicContact CG-CE2 3.97Å; E477-Y536 WeakPolarHBondContact OE1-CE2 3.46Å; E477-Y536 PolarHBondContact OE1-OH 3.31Å; V532-Y536 WeakPolarHBondContact O-CB 3.37Å; V532-Y536 PolarHBondContact O-N 3.25Å; L533-Y536 PolarHBondContact O-N 3.24Å; Q534-Y536 VanDerWaalsContact C-N 3.26Å; Q534-Y536 PolarHBondContact O-N 3.01Å; Y536-E538 PolarHBondContact O-N 3.07Å; Y536-L539 HydrophobicContact CD2-CD2 4.19Å; Y536-L539 HydrophobicContact CE2-CD2 4.18Å; Y536-L539 WeakPolarHBondContact O-CB 3.4Å; Y536-L539 PolarHBondContact O-N 3.2Å; Y536-L540 HydrophobicContact CD1-CD1 4.11Å; Y536-L540 HydrophobicContact CD1-CG 4.34Å; Y536-L540 HydrophobicContact CE1-CD1 3.57Å; Y536-L540 HydrophobicContact CE1-CD2 4.33Å; Y536-L540 HydrophobicContact CE1-CG 3.97Å; Y536-L540 HydrophobicContact CE2-CD2 4.41Å; Y536-L540 PolarHBondContact O-N 3.06Å
537	A	97.4	Very high	96.5	Very high	6 Å²	6	57.2 Å²	57.2	5%	0.05	30%	0.299	C	S	.	.	H	α-helix	trans	-60.1	-45.3	176	0	0	0	0	0	111.8	L251 L533 L539 L540 V541 Y551	L251-A537 HydrophobicContact CD1-CB 4.16Å; L533-A537 VanDerWaalsContact O-CB 3.31Å; L533-A537 WeakPolarHBondContact O-CB 3.44Å; L533-A537 PolarHBondContact O-N 2.6Å; A537-L539 VanDerWaalsContact C-N 3.34Å; A537-L539 PolarHBondContact O-N 2.85Å; A537-L540 PolarHBondContact O-N 3.43Å; A537-V541 WeakPolarHBondContact O-CG2 3.47Å; A537-V541 PolarHBondContact O-N 3.05Å; A537-Y551 HydrophobicContact CB-CD1 4.36Å; A537-Y551 HydrophobicContact CB-CD2 3.87Å; A537-Y551 HydrophobicContact CB-CE1 4.08Å; A537-Y551 HydrophobicContact CB-CE2 3.55Å; A537-Y551 HydrophobicContact CB-CG 4.25Å
538	E	96.7	Very high	96.4	Very high	88 Å²	88	53.8 Å²	53.8	41%	0.411	29%	0.29	S	S	.	.	H	α-helix	trans	-65.1	-36	177	-70.6	173	-166.9	0	0	112.5	K530 Q534 Y536 V541 S542	K530-E538 WeakPolarHBondContact CE-OE1 3.39Å; K530-E538 WeakPolarHBondContact CE-OE2 3.33Å; K530-E538 IonicContact NZ-OE1 2.58Å; K530-E538 PolarHBondContact NZ-OE1 3.33Å; K530-E538 IonicContact NZ-OE2 3.95Å; K530-E538 PolarHBondContact NZ-OE2 3.27Å; Q534-E538 WeakPolarHBondContact CG-OE1 3.05Å; Q534-E538 PolarHBondContact NE2-OE1 3.49Å; Q534-E538 WeakPolarHBondContact O-CG 3.33Å; Q534-E538 PolarHBondContact O-N 3.09Å; Q534-E538 VanDerWaalsContact O-N 3.17Å; Y536-E538 PolarHBondContact O-N 3.07Å; E538-V541 PolarHBondContact O-N 3.47Å; E538-S542 WeakPolarHBondContact O-CB 3.37Å; E538-S542 PolarHBondContact O-N 2.86Å
539	L	96.5	Very high	96.4	Very high	70 Å²	70	50.4 Å²	50.4	37%	0.366	28%	0.284	S	S	.	.	H	α-helix	trans	-60.1	-49.3	172.4	-176.8	65	0	0	0	111.1	K535 Y536 A537 V541 S542 Q543	K535-L539 PolarHBondContact O-N 3.42Å; Y536-L539 HydrophobicContact CD2-CD2 4.19Å; Y536-L539 HydrophobicContact CE2-CD2 4.18Å; Y536-L539 WeakPolarHBondContact O-CB 3.4Å; Y536-L539 PolarHBondContact O-N 3.2Å; A537-L539 VanDerWaalsContact C-N 3.34Å; A537-L539 PolarHBondContact O-N 2.85Å; L539-V541 PolarHBondContact O-N 2.94Å; L539-S542 PolarHBondContact O-N 2.72Å; L539-S542 PolarHBondContact O-OG 3.21Å; L539-Q543 WeakPolarHBondContact O-CG 3.39Å; L539-Q543 PolarHBondContact O-N 3.36Å
540	L	97.6	Very high	96.3	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-67.7	-32.8	-179.6	-65.3	-169	0	0	0	113.4	K247 L251 Y536 A537 Q543 G544 V545 V546	K247-L540 HydrophobicContact CB-CD1 4.24Å; K247-L540 HydrophobicContact CB-CD2 3.8Å; K247-L540 HydrophobicContact CD-CD2 3.92Å; K247-L540 HydrophobicContact CG-CD2 4.05Å; L251-L540 HydrophobicContact CB-CD1 3.95Å; L251-L540 HydrophobicContact CD2-CD1 4.16Å; L251-L540 HydrophobicContact CG-CD1 4.48Å; Y536-L540 HydrophobicContact CD1-CD1 4.11Å; Y536-L540 HydrophobicContact CD1-CG 4.34Å; Y536-L540 HydrophobicContact CE1-CD1 3.57Å; Y536-L540 HydrophobicContact CE1-CD2 4.33Å; Y536-L540 HydrophobicContact CE1-CG 3.97Å; Y536-L540 HydrophobicContact CE2-CD2 4.41Å; Y536-L540 PolarHBondContact O-N 3.06Å; A537-L540 PolarHBondContact O-N 3.43Å; L540-Q543 PolarHBondContact O-N 3.43Å; L540-G544 PolarHBondContact O-N 2.99Å; L540-V545 HydrophobicContact CB-CB 4.27Å; L540-V545 HydrophobicContact CD2-CB 4.15Å; L540-V545 HydrophobicContact CD2-CG1 4.23Å; L540-V545 HydrophobicContact CD2-CG2 4.4Å; L540-V545 PolarHBondContact O-N 3.49Å; L540-V546 HydrophobicContact CB-CB 4.31Å; L540-V546 HydrophobicContact CB-CG2 4.22Å; L540-V546 HydrophobicContact CD1-CG2 4.05Å; L540-V546 PolarHBondContact O-N 3.26Å
541	V	96.6	Very high	96.3	Very high	61 Å²	61	49.6 Å²	49.6	37%	0.37	28%	0.281	S	S	.	.	H	α-helix	trans	-66.6	-43.8	170.8	172.4	0	0	0	0	110.9	A537 E538 L539 Q543 G544 V546	A537-V541 WeakPolarHBondContact O-CG2 3.47Å; A537-V541 PolarHBondContact O-N 3.05Å; E538-V541 PolarHBondContact O-N 3.47Å; L539-V541 PolarHBondContact O-N 2.94Å; V541-Q543 VanDerWaalsContact C-N 3.26Å; V541-Q543 PolarHBondContact O-N 3.47Å; V541-G544 PolarHBondContact O-N 3.45Å; V541-G544 VanDerWaalsContact O-N 3.07Å; V541-V546 WeakPolarHBondContact CA-O 3.35Å; V541-V546 WeakPolarHBondContact CG2-O 3.32Å
542	S	96.9	Very high	96.3	Very high	97 Å²	97	52.5 Å²	52.5	68%	0.678	29%	0.29	S	S	*	.	H	α-helix	trans	-65.7	-28.3	177.1	77.5	0	0	0	0	113.5	E538 L539	E538-S542 WeakPolarHBondContact O-CB 3.37Å; E538-S542 PolarHBondContact O-N 2.86Å; L539-S542 PolarHBondContact O-N 2.72Å; L539-S542 PolarHBondContact O-OG 3.21Å
543	Q	96.1	Very high	96.2	Very high	94 Å²	94	57.4 Å²	57.4	44%	0.439	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-3.9	174.4	-67.6	177.9	5.7	0	0	113.4	L539 L540 V541 V545	L539-Q543 WeakPolarHBondContact O-CG 3.39Å; L539-Q543 PolarHBondContact O-N 3.36Å; L540-Q543 PolarHBondContact O-N 3.43Å; V541-Q543 VanDerWaalsContact C-N 3.26Å; V541-Q543 PolarHBondContact O-N 3.47Å; Q543-V545 HydrophobicContact CB-CG2 3.73Å; Q543-V545 PolarHBondContact O-N 3.49Å
544	G	96.2	Very high	96.2	Very high	66 Å²	66	59.6 Å²	59.6	68%	0.68	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.3	15.4	-176	0	0	0	0	0	114.6	L540 V541	L540-G544 PolarHBondContact O-N 2.99Å; V541-G544 PolarHBondContact O-N 3.45Å; V541-G544 VanDerWaalsContact O-N 3.07Å
545	V	96.7	Very high	96.2	Very high	7 Å²	7	57.3 Å²	57.3	4%	0.042	31%	0.313	C	S	.	.	S	Bend	trans	-77.7	-30.8	-177.1	179.7	0	0	0	0	111.2	N244 K247 R248 L540 Q543	N244-V545 HydrophobicContact CB-CG1 3.99Å; K247-V545 HydrophobicContact CB-CG1 4.02Å; K247-V545 HydrophobicContact CD-CG1 4.31Å; K247-V545 HydrophobicContact CD-CG2 4.19Å; R248-V545 HydrophobicContact CG-CG1 4.35Å; R248-V545 VanDerWaalsContact CZ-O 3.23Å; R248-V545 PolarHBondContact NE-O 3.09Å; R248-V545 PolarHBondContact NH2-O 3.04Å; L540-V545 HydrophobicContact CB-CB 4.27Å; L540-V545 HydrophobicContact CD2-CB 4.15Å; L540-V545 HydrophobicContact CD2-CG1 4.23Å; L540-V545 HydrophobicContact CD2-CG2 4.4Å; L540-V545 PolarHBondContact O-N 3.49Å; Q543-V545 HydrophobicContact CB-CG2 3.73Å; Q543-V545 PolarHBondContact O-N 3.49Å
546	V	95.8	Very high	96.2	Very high	10 Å²	10	58.3 Å²	58.3	6%	0.061	33%	0.327	C	S	.	.	S	Bend	trans	-143.2	143.8	179.3	-177	0	0	0	0	108.4	R248 L251 L540 V541 E550	R248-V546 HydrophobicContact CG-CG2 3.73Å; L251-V546 HydrophobicContact CD2-CB 4.45Å; L251-V546 HydrophobicContact CD2-CG1 4.08Å; L251-V546 HydrophobicContact CD2-CG2 4.03Å; L540-V546 HydrophobicContact CB-CB 4.31Å; L540-V546 HydrophobicContact CB-CG2 4.22Å; L540-V546 HydrophobicContact CD1-CG2 4.05Å; L540-V546 PolarHBondContact O-N 3.26Å; V541-V546 WeakPolarHBondContact CA-O 3.35Å; V541-V546 WeakPolarHBondContact CG2-O 3.32Å; V546-E550 WeakPolarHBondContact CA-OE2 3.45Å; V546-E550 HydrophobicContact CG1-CB 3.71Å
547	N	95.1	Very high	96.2	Very high	77 Å²	77	62.4 Å²	62.4	41%	0.412	35%	0.345	S	S	.	.			trans	-100.2	164.7	172	70.3	63.9	0	0	0	112.8	P549 E550 Y551	N547-P549 WeakPolarHBondContact OD1-CB 3.2Å; N547-P549 WeakPolarHBondContact OD1-CD 3.47Å; N547-E550 PolarHBondContact N-OE2 3.49Å; N547-E550 VanDerWaalsContact ND2-CD 3.31Å; N547-E550 WeakPolarHBondContact ND2-CG 3.17Å; N547-E550 PolarHBondContact ND2-OE2 2.74Å; N547-E550 PolarHBondContact O-N 2.82Å; N547-E550 VanDerWaalsContact O-N 3.16Å; N547-E550 PolarHBondContact OD1-N 2.73Å; N547-Y551 PolarHBondContact O-N 3.14Å
548	Q	94.1	Very high	96.2	Very high	94 Å²	94	62.4 Å²	62.4	44%	0.439	34%	0.344	S	S	.	.	H	α-helix	trans	-58.1	-48	-175.3	-178.9	67.6	25	0	0	113.2	E550 Y551 E552	Q548-E550 PolarHBondContact O-N 3.22Å; Q548-Y551 PolarHBondContact O-N 3.19Å; Q548-E552 WeakPolarHBondContact CG-OE1 3Å; Q548-E552 PolarHBondContact NE2-OE1 3.13Å; Q548-E552 WeakPolarHBondContact O-CG 3.46Å; Q548-E552 PolarHBondContact O-N 3.14Å; Q548-E552 VanDerWaalsContact O-N 3.07Å
549	P	95.9	Very high	96.2	Very high	87 Å²	87	59.5 Å²	59.5	57%	0.565	33%	0.331	S	S	*	.	H	α-helix	trans	-53.1	-43.8	170.5	-30.1	33.2	0	0	0	115.4	N547 Y551 E552 E553	N547-P549 WeakPolarHBondContact OD1-CB 3.2Å; N547-P549 WeakPolarHBondContact OD1-CD 3.47Å; P549-Y551 VanDerWaalsContact C-N 3.31Å; P549-Y551 PolarHBondContact O-N 3.08Å; P549-E552 PolarHBondContact O-N 2.86Å; P549-E553 WeakPolarHBondContact O-CB 3.29Å; P549-E553 PolarHBondContact O-N 2.88Å
550	E	93.8	Very high	96.3	Very high	53 Å²	53	62.2 Å²	62.2	25%	0.248	34%	0.34	C	S	.	.	H	α-helix	trans	-61.8	-38.7	178.4	-72.6	177.2	119.9	0	0	112.3	R248 V546 N547 Q548 E553 E554	R248-E550 IonicContact CZ-OE1 2.79Å; R248-E550 IonicContact CZ-OE2 3.42Å; R248-E550 IonicContact NH1-OE1 3.73Å; R248-E550 PolarHBondContact NH1-OE1 3.47Å; R248-E550 IonicContact NH1-OE2 3.22Å; R248-E550 IonicContact NH2-OE1 3.83Å; R248-E550 PolarHBondContact NH2-OE1 3.47Å; R248-E550 IonicContact NH2-OE2 2.69Å; R248-E550 PolarHBondContact NH2-OE2 3.47Å; V546-E550 WeakPolarHBondContact CA-OE2 3.45Å; V546-E550 HydrophobicContact CG1-CB 3.71Å; N547-E550 PolarHBondContact N-OE2 3.49Å; N547-E550 VanDerWaalsContact ND2-CD 3.31Å; N547-E550 WeakPolarHBondContact ND2-CG 3.17Å; N547-E550 PolarHBondContact ND2-OE2 2.74Å; N547-E550 PolarHBondContact O-N 2.82Å; N547-E550 VanDerWaalsContact O-N 3.16Å; N547-E550 PolarHBondContact OD1-N 2.73Å; Q548-E550 PolarHBondContact O-N 3.22Å; E550-E553 PolarHBondContact O-N 3.08Å; E550-E554 PolarHBondContact O-N 3.09Å
551	Y	95.5	Very high	96.2	Very high	33 Å²	33	65.4 Å²	65.4	13%	0.129	36%	0.356	C	S	.	.	H	α-helix	trans	-67.6	-42	176.6	169.9	-117.5	0	0	0	112.2	L251 V255 L533 A537 N547 Q548 P549 E553 E554 I555	L251-Y551 HydrophobicContact CD1-CD2 4.13Å; L251-Y551 HydrophobicContact CD1-CE2 4.21Å; L251-Y551 HydrophobicContact CD2-CD2 4.26Å; V255-Y551 HydrophobicContact CG2-CE2 4.38Å; L533-Y551 HydrophobicContact CD1-CE2 4.13Å; L533-Y551 HydrophobicContact CG-CE2 4.32Å; A537-Y551 HydrophobicContact CB-CD1 4.36Å; A537-Y551 HydrophobicContact CB-CD2 3.87Å; A537-Y551 HydrophobicContact CB-CE1 4.08Å; A537-Y551 HydrophobicContact CB-CE2 3.55Å; A537-Y551 HydrophobicContact CB-CG 4.25Å; N547-Y551 PolarHBondContact O-N 3.14Å; Q548-Y551 PolarHBondContact O-N 3.19Å; P549-Y551 VanDerWaalsContact C-N 3.31Å; P549-Y551 PolarHBondContact O-N 3.08Å; Y551-E553 VanDerWaalsContact C-N 3.33Å; Y551-E554 PolarHBondContact O-N 3.29Å; Y551-I555 HydrophobicContact CD1-CD1 4.45Å; Y551-I555 HydrophobicContact CD2-CD1 4.41Å; Y551-I555 HydrophobicContact CE1-CD1 3.91Å; Y551-I555 HydrophobicContact CE2-CD1 3.87Å; Y551-I555 HydrophobicContact CE2-CG1 4.41Å; Y551-I555 PolarHBondContact O-N 3.23Å
552	E	95.6	Very high	96.3	Very high	106 Å²	106	62.5 Å²	62.5	50%	0.495	34%	0.339	S	S	.	.	H	α-helix	trans	-65.8	-35.4	175.4	-70.4	173	-171.8	0	0	112	Q548 P549 I555 S556	Q548-E552 WeakPolarHBondContact CG-OE1 3Å; Q548-E552 PolarHBondContact NE2-OE1 3.13Å; Q548-E552 WeakPolarHBondContact O-CG 3.46Å; Q548-E552 PolarHBondContact O-N 3.14Å; Q548-E552 VanDerWaalsContact O-N 3.07Å; P549-E552 PolarHBondContact O-N 2.86Å; E552-I555 PolarHBondContact O-N 3.23Å; E552-S556 WeakPolarHBondContact O-CB 3.38Å; E552-S556 PolarHBondContact O-N 2.68Å
553	E	96.1	Very high	96.3	Very high	106 Å²	106	60.7 Å²	60.7	50%	0.495	32%	0.32	S	S	.	.	H	α-helix	trans	-64.7	-43.8	175.7	-159.8	-165.6	133.1	0	0	112.1	P549 E550 Y551 I555 S556 K557	P549-E553 WeakPolarHBondContact O-CB 3.29Å; P549-E553 PolarHBondContact O-N 2.88Å; E550-E553 PolarHBondContact O-N 3.08Å; Y551-E553 VanDerWaalsContact C-N 3.33Å; E553-I555 PolarHBondContact O-N 3.28Å; E553-S556 PolarHBondContact O-N 3.22Å; E553-K557 VanDerWaalsContact O-CG 3.31Å; E553-K557 WeakPolarHBondContact O-CG 3.36Å; E553-K557 PolarHBondContact O-N 3.29Å; E553-K557 WeakPolarHBondContact OE1-CE 3.45Å; E553-K557 IonicContact OE1-NZ 3.45Å; E553-K557 PolarHBondContact OE1-NZ 3.27Å
554	E	95.7	Very high	96.3	Very high	54 Å²	54	60.4 Å²	60.4	25%	0.252	32%	0.318	S	S	.	.	H	α-helix	trans	-64.9	-35.9	176.7	-75.1	-58.2	118.9	0	0	113.1	E550 Y551 K557 Y558	E550-E554 PolarHBondContact O-N 3.09Å; Y551-E554 PolarHBondContact O-N 3.29Å; E554-K557 WeakPolarHBondContact OE1-CD 3.47Å; E554-K557 WeakPolarHBondContact OE1-CE 3.35Å; E554-K557 IonicContact OE1-NZ 3.72Å; E554-K557 PolarHBondContact OE1-NZ 2.97Å; E554-Y558 PolarHBondContact O-N 2.78Å
555	I	97.4	Very high	96.3	Very high	33 Å²	33	57.3 Å²	57.3	17%	0.169	29%	0.286	C	S	.	.	H	α-helix	trans	-63.1	-51.3	171	-70.2	169.9	0	0	0	110.2	V255 R259 Y551 E552 E553 K557 Y558 D559	V255-I555 HydrophobicContact CG1-CG1 4.05Å; V255-I555 HydrophobicContact CG2-CG1 4.37Å; R259-I555 HydrophobicContact CG-CG2 4.39Å; Y551-I555 HydrophobicContact CD1-CD1 4.45Å; Y551-I555 HydrophobicContact CD2-CD1 4.41Å; Y551-I555 HydrophobicContact CE1-CD1 3.91Å; Y551-I555 HydrophobicContact CE2-CD1 3.87Å; Y551-I555 HydrophobicContact CE2-CG1 4.41Å; Y551-I555 PolarHBondContact O-N 3.23Å; E552-I555 PolarHBondContact O-N 3.23Å; E553-I555 PolarHBondContact O-N 3.28Å; I555-K557 VanDerWaalsContact C-N 3.31Å; I555-K557 PolarHBondContact O-N 3.37Å; I555-Y558 PolarHBondContact O-N 2.83Å; I555-Y558 VanDerWaalsContact O-N 3.11Å; I555-D559 PolarHBondContact O-N 3.29Å
556	S	97.3	Very high	96.2	Very high	79 Å²	79	58.9 Å²	58.9	55%	0.552	29%	0.292	S	S	*	.	H	α-helix	trans	-57.6	-41.7	-178	-173.8	0	0	0	0	112.5	E552 E553 Y558 K560	E552-S556 WeakPolarHBondContact O-CB 3.38Å; E552-S556 PolarHBondContact O-N 2.68Å; E553-S556 PolarHBondContact O-N 3.22Å; S556-Y558 VanDerWaalsContact C-N 3.35Å; S556-Y558 PolarHBondContact O-N 2.94Å; S556-K560 WeakPolarHBondContact O-CB 3.4Å; S556-K560 PolarHBondContact O-N 3.5Å; S556-K560 VanDerWaalsContact O-N 3.08Å
557	K	96.9	Very high	96.2	Very high	89 Å²	89	62.2 Å²	62.2	39%	0.387	31%	0.313	S	S	.	.	H	α-helix	trans	-55.9	-44.3	174.8	-77.4	165.9	-174.7	161.7	0	112.8	E553 E554 I555 I561	E553-K557 VanDerWaalsContact O-CG 3.31Å; E553-K557 WeakPolarHBondContact O-CG 3.36Å; E553-K557 PolarHBondContact O-N 3.29Å; E553-K557 WeakPolarHBondContact OE1-CE 3.45Å; E553-K557 IonicContact OE1-NZ 3.45Å; E553-K557 PolarHBondContact OE1-NZ 3.27Å; E554-K557 WeakPolarHBondContact OE1-CD 3.47Å; E554-K557 WeakPolarHBondContact OE1-CE 3.35Å; E554-K557 IonicContact OE1-NZ 3.72Å; E554-K557 PolarHBondContact OE1-NZ 2.97Å; I555-K557 VanDerWaalsContact C-N 3.31Å; I555-K557 PolarHBondContact O-N 3.37Å; K557-I561 WeakPolarHBondContact O-CD1 3.45Å; K557-I561 WeakPolarHBondContact O-CG1 3.43Å; K557-I561 PolarHBondContact O-N 3.14Å
558	Y	97.2	Very high	96	Very high	6 Å²	6	63.9 Å²	63.9	2%	0.024	31%	0.314	C	S	.	.	H	α-helix	trans	-82.9	-37.9	-176.5	-167.3	-102.9	0	0	0	113.2	R256 R259 F260 N316 E554 I555 S556 K560 I561 C562	R256-Y558 HydrophobicContact CB-CD2 4.22Å; R256-Y558 HydrophobicContact CB-CE1 4.43Å; R256-Y558 HydrophobicContact CB-CE2 3.97Å; R256-Y558 HydrophobicContact CG-CD2 3.6Å; R256-Y558 HydrophobicContact CG-CE2 3.74Å; R256-Y558 HydrophobicContact CG-CG 4.05Å; R256-Y558 WeakPolarHBondContact O-CE1 3.48Å; R259-Y558 HydrophobicContact CB-CD1 3.71Å; R259-Y558 HydrophobicContact CB-CE1 4.25Å; F260-Y558 HydrophobicContact CB-CE1 4.03Å; N316-Y558 PolarHBondContact ND2-OH 2.77Å; N316-Y558 PolarHBondContact OD1-OH 3.17Å; E554-Y558 PolarHBondContact O-N 2.78Å; I555-Y558 PolarHBondContact O-N 2.83Å; I555-Y558 VanDerWaalsContact O-N 3.11Å; S556-Y558 VanDerWaalsContact C-N 3.35Å; S556-Y558 PolarHBondContact O-N 2.94Å; Y558-K560 PolarHBondContact O-N 3.15Å; Y558-I561 PolarHBondContact O-N 3.09Å; Y558-I561 VanDerWaalsContact O-N 3.14Å; Y558-C562 WeakPolarHBondContact CE1-SG 3.36Å; Y558-C562 PolarHBondContact O-N 3.46Å; Y558-C562 PolarHBondContact O-SG 2.68Å
559	D	97.3	Very high	95.8	Very high	27 Å²	27	59.8 Å²	59.8	14%	0.144	30%	0.296	C	S	.	.	H	α-helix	trans	-55.9	-41.4	171.9	-96.8	57.8	0	0	0	111.2	R259 R266 I555 C562 E563	R259-D559 IonicContact CZ-OD1 3.92Å; R259-D559 VanDerWaalsContact CZ-OD1 3.23Å; R259-D559 IonicContact CZ-OD2 2.69Å; R259-D559 IonicContact NE-OD1 3.43Å; R259-D559 PolarHBondContact NE-OD1 2.82Å; R259-D559 IonicContact NH2-OD1 3.4Å; R259-D559 PolarHBondContact NH2-OD1 3.47Å; R259-D559 IonicContact NH2-OD2 2.71Å; R259-D559 PolarHBondContact NH2-OD2 3.43Å; R266-D559 IonicContact CZ-OD2 3.93Å; R266-D559 IonicContact NH1-OD2 2.72Å; R266-D559 PolarHBondContact NH1-OD2 3.01Å; R266-D559 IonicContact NH2-OD2 3.23Å; R266-D559 PolarHBondContact NH2-OD2 3.09Å; I555-D559 PolarHBondContact O-N 3.29Å; D559-C562 PolarHBondContact O-N 3.28Å; D559-E563 PolarHBondContact O-N 3.18Å
560	K	97.8	Very high	95.4	Very high	127 Å²	127	60.8 Å²	60.8	55%	0.552	29%	0.291	S	S	*	.	H	α-helix	trans	-60.1	-48.3	174.9	178.7	175.2	172.6	178.1	0	112.3	S556 Y558 C562 E563 E564	S556-K560 WeakPolarHBondContact O-CB 3.4Å; S556-K560 PolarHBondContact O-N 3.5Å; S556-K560 VanDerWaalsContact O-N 3.08Å; Y558-K560 PolarHBondContact O-N 3.15Å; K560-C562 VanDerWaalsContact C-N 3.25Å; K560-C562 PolarHBondContact O-N 3.48Å; K560-E563 PolarHBondContact O-N 3.18Å; K560-E564 WeakPolarHBondContact CE-OE1 3.2Å; K560-E564 HydrophobicContact CG-CG 4.38Å; K560-E564 IonicContact NZ-OE1 2.66Å; K560-E564 WeakPolarHBondContact O-CB 3.3Å; K560-E564 WeakPolarHBondContact O-CG 3.4Å; K560-E564 PolarHBondContact O-N 3.08Å
561	I	97.1	Very high	95	Very high	67 Å²	67	64.4 Å²	64.4	34%	0.344	31%	0.312	S	S	.	.	H	α-helix	trans	-57.4	-40.6	178.1	-71.3	165.6	0	0	0	110.9	L322 K557 Y558 A565	L322-I561 HydrophobicContact CD1-CG2 3.68Å; K557-I561 WeakPolarHBondContact O-CD1 3.45Å; K557-I561 WeakPolarHBondContact O-CG1 3.43Å; K557-I561 PolarHBondContact O-N 3.14Å; Y558-I561 PolarHBondContact O-N 3.09Å; Y558-I561 VanDerWaalsContact O-N 3.14Å; I561-A565 WeakPolarHBondContact O-CB 3.46Å; I561-A565 PolarHBondContact O-N 3.18Å; I561-A565 VanDerWaalsContact O-N 3.1Å
562	C	97.5	Very high	94.1	Very high	1 Å²	1	66.9 Å²	66.9	1%	0.007	33%	0.325	C	S	.	.	H	α-helix	trans	-70.7	-43.2	178.6	-64	0	0	0	0	112.9	F263 F326 Y558 D559 K560 A565 F566	F263-C562 HydrophobicContact CD1-CB 4.01Å; F263-C562 HydrophobicContact CD2-CB 3.44Å; F263-C562 VanDerWaalsContact CD2-CB 3.44Å; F263-C562 HydrophobicContact CE1-CB 4.01Å; F263-C562 HydrophobicContact CE2-CB 3.42Å; F263-C562 VanDerWaalsContact CE2-CB 3.42Å; F263-C562 HydrophobicContact CG-CB 3.74Å; F263-C562 VanDerWaalsContact CZ-C 3.43Å; F263-C562 HydrophobicContact CZ-CB 3.72Å; F263-C562 VanDerWaalsContact CZ-O 3.23Å; F263-C562 WeakPolarHBondContact CZ-O 3.48Å; F326-C562 HydrophobicContact CZ-CB 4.48Å; Y558-C562 WeakPolarHBondContact CE1-SG 3.36Å; Y558-C562 PolarHBondContact O-N 3.46Å; Y558-C562 PolarHBondContact O-SG 2.68Å; D559-C562 PolarHBondContact O-N 3.28Å; K560-C562 VanDerWaalsContact C-N 3.25Å; K560-C562 PolarHBondContact O-N 3.48Å; C562-A565 PolarHBondContact O-N 3.05Å; C562-F566 VanDerWaalsContact O-CB 3.3Å; C562-F566 WeakPolarHBondContact O-CB 3.49Å; C562-F566 PolarHBondContact O-N 2.73Å
563	E	97.5	Very high	92.9	Very high	59 Å²	59	68.7 Å²	68.7	28%	0.276	33%	0.331	S	S	.	.	H	α-helix	trans	-65.2	-37.4	176.2	-71.8	-63.3	164.3	0	0	112.6	F263 R266 K267 D559 K560 T567	F263-E563 HydrophobicContact CE2-CG 3.89Å; F263-E563 WeakPolarHBondContact CE2-OE1 3.3Å; R266-E563 IonicContact CZ-OE1 3.6Å; R266-E563 IonicContact NE-OE1 3.47Å; R266-E563 IonicContact NH2-OE1 2.74Å; R266-E563 PolarHBondContact NH2-OE1 2.84Å; K267-E563 VanDerWaalsContact CE-OE1 3.29Å; K267-E563 WeakPolarHBondContact CE-OE1 3.26Å; K267-E563 WeakPolarHBondContact CE-OE2 3.34Å; K267-E563 IonicContact NZ-OE1 3.56Å; K267-E563 PolarHBondContact NZ-OE1 2.92Å; K267-E563 IonicContact NZ-OE2 2.69Å; K267-E563 PolarHBondContact NZ-OE2 2.95Å; D559-E563 PolarHBondContact O-N 3.18Å; K560-E563 PolarHBondContact O-N 3.18Å; E563-T567 PolarHBondContact O-N 2.87Å; E563-T567 PolarHBondContact O-OG1 2.89Å
564	E	96.6	Very high	91.6	Very high	88 Å²	88	67.6 Å²	67.6	41%	0.411	33%	0.328	S	S	.	.	H	α-helix	trans	-64.6	-45.8	174.7	-74.1	178.8	171.6	0	0	111.7	K560 T567 R568	K560-E564 WeakPolarHBondContact CE-OE1 3.2Å; K560-E564 HydrophobicContact CG-CG 4.38Å; K560-E564 IonicContact NZ-OE1 2.66Å; K560-E564 WeakPolarHBondContact O-CB 3.3Å; K560-E564 WeakPolarHBondContact O-CG 3.4Å; K560-E564 PolarHBondContact O-N 3.08Å; E564-T567 WeakPolarHBondContact O-CB 3.29Å; E564-T567 PolarHBondContact O-N 2.77Å; E564-R568 PolarHBondContact O-N 3.39Å
565	A	95.3	Very high	90.4	Very high	1 Å²	1	66.5 Å²	66.5	1%	0.008	32%	0.324	C	S	.	.	H	α-helix	trans	-68.2	-37	177.5	0	0	0	0	0	113.1	L322 F326 I561 C562 T567 R568 S569	L322-A565 HydrophobicContact CB-CB 3.46Å; L322-A565 VanDerWaalsContact CB-CB 3.46Å; L322-A565 HydrophobicContact CD1-CB 4.14Å; L322-A565 HydrophobicContact CG-CB 4.46Å; F326-A565 HydrophobicContact CD2-CB 4.16Å; F326-A565 HydrophobicContact CE2-CB 3.92Å; I561-A565 WeakPolarHBondContact O-CB 3.46Å; I561-A565 PolarHBondContact O-N 3.18Å; I561-A565 VanDerWaalsContact O-N 3.1Å; C562-A565 PolarHBondContact O-N 3.05Å; A565-T567 PolarHBondContact O-N 3.06Å; A565-R568 PolarHBondContact O-N 3.03Å; A565-S569 WeakPolarHBondContact O-CB 3.36Å; A565-S569 PolarHBondContact O-N 3.36Å
566	F	95.1	Very high	89.2	Confident	39 Å²	39	67.8 Å²	67.8	17%	0.171	33%	0.328	C	S	.	.	H	α-helix	trans	-67.7	-21	172.2	170.1	-106.6	0	0	0	113.2	F263 K267 W268 F326 C562 S569 K570	F263-F566 HydrophobicContact CE1-CB 4.01Å; F263-F566 HydrophobicContact CE1-CG 4.48Å; F263-F566 HydrophobicContact CZ-CB 3.63Å; F263-F566 HydrophobicContact CZ-CG 4.14Å; K267-F566 HydrophobicContact CD-CD1 4.15Å; K267-F566 HydrophobicContact CD-CD2 4.45Å; K267-F566 HydrophobicContact CD-CE1 3.89Å; K267-F566 HydrophobicContact CD-CE2 4.21Å; K267-F566 HydrophobicContact CD-CG 4.41Å; K267-F566 HydrophobicContact CD-CZ 3.92Å; K267-F566 HydrophobicContact CG-CD2 4.42Å; K267-F566 HydrophobicContact CG-CE2 4.4Å; W268-F566 AromaticContact CH2-CD2 3.64Å; W268-F566 HydrophobicContact CH2-CD2 3.64Å; W268-F566 HydrophobicContact CH2-CE2 4.03Å; W268-F566 AromaticContact CZ2-CD2 3.69Å; W268-F566 HydrophobicContact CZ2-CD2 3.69Å; W268-F566 AromaticContact CZ2-CE2 3.63Å; W268-F566 HydrophobicContact CZ2-CE2 3.63Å; F326-F566 HydrophobicContact CD2-CB 3.97Å; F326-F566 HydrophobicContact CE2-CB 4.19Å; C562-F566 VanDerWaalsContact O-CB 3.3Å; C562-F566 WeakPolarHBondContact O-CB 3.49Å; C562-F566 PolarHBondContact O-N 2.73Å; F566-S569 PolarHBondContact O-OG 2.67Å; F566-K570 VanDerWaalsContact CE1-NZ 3.32Å; F566-K570 VanDerWaalsContact O-CE 3.25Å; F566-K570 WeakPolarHBondContact O-CE 3.45Å
567	T	94.5	Very high	87.8	Confident	81 Å²	81	64.3 Å²	64.3	50%	0.497	30%	0.304	S	S	.	.	H	α-helix	trans	-74.5	-48.6	171.2	-58.4	0	0	0	0	109.9	E563 E564 A565 S569 K570	E563-T567 PolarHBondContact O-N 2.87Å; E563-T567 PolarHBondContact O-OG1 2.89Å; E564-T567 WeakPolarHBondContact O-CB 3.29Å; E564-T567 PolarHBondContact O-N 2.77Å; A565-T567 PolarHBondContact O-N 3.06Å; T567-S569 PolarHBondContact O-N 2.69Å; T567-K570 PolarHBondContact O-N 3.23Å
568	R	92.4	Very high	86.5	Confident	111 Å²	111	63 Å²	63	42%	0.419	30%	0.298	S	S	.	.	H	α-helix	trans	-64.5	-33.4	176.9	-63.3	-170.7	-60	-86.8	2.9	113.6	E323 E564 A565 K570 D571	E323-R568 HydrophobicContact CB-CB 4.32Å; E323-R568 IonicContact OE1-CZ 2.66Å; E323-R568 IonicContact OE1-NE 3.21Å; E323-R568 PolarHBondContact OE1-NE 3.09Å; E323-R568 IonicContact OE1-NH2 3.52Å; E323-R568 PolarHBondContact OE1-NH2 3.19Å; E323-R568 IonicContact OE2-NH2 2.88Å; E564-R568 PolarHBondContact O-N 3.39Å; A565-R568 PolarHBondContact O-N 3.03Å; R568-K570 PolarHBondContact O-N 3.25Å; R568-D571 PolarHBondContact O-N 3.31Å
569	S	90.3	Very high	85.3	Confident	9 Å²	9	67 Å²	67	6%	0.063	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-1.5	-178.9	79.5	0	0	0	0	115.4	E323 A565 F566 T567	E323-S569 VanDerWaalsContact O-CB 3.31Å; E323-S569 WeakPolarHBondContact O-CB 3.21Å; A565-S569 WeakPolarHBondContact O-CB 3.36Å; A565-S569 PolarHBondContact O-N 3.36Å; F566-S569 PolarHBondContact O-OG 2.67Å; T567-S569 PolarHBondContact O-N 2.69Å
570	K	87.5	Confident	84.5	Confident	108 Å²	108	66.2 Å²	66.2	47%	0.47	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-18.3	176.6	-63.2	167	-173.4	161.7	0	112.7	F566 T567 R568	F566-K570 VanDerWaalsContact CE1-NZ 3.32Å; F566-K570 VanDerWaalsContact O-CE 3.25Å; F566-K570 WeakPolarHBondContact O-CE 3.45Å; T567-K570 PolarHBondContact O-N 3.23Å; R568-K570 PolarHBondContact O-N 3.25Å
571	D	84.4	Confident	83.7	Confident	128 Å²	128	62 Å²	62	68%	0.684	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-27.8	173.9	-57	-48.2	0	0	0	110.3	R568 K573	R568-D571 PolarHBondContact O-N 3.31Å; D571-K573 PolarHBondContact O-N 2.74Å
572	E	76.3	Confident	82.8	Confident	85 Å²	85	58.8 Å²	58.8	40%	0.397	28%	0.279	S	S	.	.			trans	-69.9	88.5	170.9	-66.6	-70.3	-171.3	0	0	112.1	C327 L333	C327-E572 HydrophobicContact CB-CB 4.06Å; L333-E572 WeakPolarHBondContact CD1-O 3.33Å
573	K	71.6	Confident	82.1	Confident	145 Å²	145	59.5 Å²	59.5	63%	0.63	28%	0.284	S	S	*	.			trans	-93.7	-13.1	179.2	-65.3	174.9	-173.7	172.1	0	114.5	E334 D571	E334-K573 PolarHBondContact N-O 3.43Å; D571-K573 PolarHBondContact O-N 2.74Å
574	I	68.4	Low	81.2	Confident	82 Å²	82	59 Å²	59	42%	0.421	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	125	-167.6	-69.5	177.4	0	0	0	109.5	E334 A336	E334-I574 CarbonylContact O-C 3.57Å; E334-I574 WeakPolarHBondContact O-CA 2.96Å; A336-I574 HydrophobicContact CB-CG2 3.24Å
575	L	69.5	Low	80.8	Confident	32 Å²	32	55.6 Å²	55.6	17%	0.168	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	114.1	175	-176.3	52.1	0	0	0	111.6	Q328 L333 E334 A336 I577	Q328-L575 VanDerWaalsContact NE2-CD1 3.29Å; L333-L575 HydrophobicContact CD2-CB 3.77Å; L333-L575 HydrophobicContact CD2-CD1 4.48Å; L333-L575 HydrophobicContact CD2-CD2 4.03Å; L333-L575 HydrophobicContact CD2-CG 4.3Å; L333-L575 HydrophobicContact CG-CB 4.01Å; E334-L575 PolarHBondContact O-N 3.37Å; A336-L575 PolarHBondContact N-O 3.45Å; A336-L575 VanDerWaalsContact N-O 3.08Å; L575-I577 HydrophobicContact CG-CG1 4.38Å
576	H	72.1	Confident	80.2	Confident	59 Å²	59	61 Å²	61	27%	0.273	30%	0.304	S	S	.	.			trans	-89.4	104	160.4	-70.5	-60.3	0	0	0	109.9	A336 D337 K578 H579	A336-H576 VanDerWaalsContact CB-CE1 3.47Å; A336-H576 WeakPolarHBondContact CB-CE1 2.99Å; D337-H576 IonicContact OD1-CE1 3.6Å; D337-H576 IonicContact OD1-CG 3.88Å; D337-H576 IonicContact OD1-ND1 2.76Å; D337-H576 PolarHBondContact OD1-ND1 3.42Å; D337-H576 WeakPolarHBondContact OD2-CA 3.45Å; D337-H576 IonicContact OD2-ND1 3.62Å; H576-K578 HydrophobicContact CB-CG 4.18Å; H576-K578 PolarHBondContact O-N 2.93Å; H576-H579 AromaticContact CD2-CE1 3.97Å; H576-H579 WeakPolarHBondContact O-CB 3.31Å; H576-H579 PolarHBondContact O-N 2.93Å; H576-H579 VanDerWaalsContact O-N 3.13Å
577	I	68.6	Low	79.8	Confident	7 Å²	7	61.7 Å²	61.7	4%	0.036	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-61.1	-31	175.3	-53.6	168.4	0	0	0	109.9	D337 L575 H579 W580 V766	D337-I577 HydrophobicContact CB-CB 4.33Å; D337-I577 HydrophobicContact CB-CG1 4.43Å; D337-I577 PolarHBondContact OD2-N 3.47Å; L575-I577 HydrophobicContact CG-CG1 4.38Å; I577-H579 PolarHBondContact O-N 3.5Å; I577-H579 VanDerWaalsContact O-N 3.08Å; I577-W580 WeakPolarHBondContact O-CB 3.45Å; I577-W580 PolarHBondContact O-N 2.86Å; I577-V766 HydrophobicContact CB-CG2 3.76Å; I577-V766 HydrophobicContact CG2-CB 4.43Å; I577-V766 HydrophobicContact CG2-CG2 3.66Å
578	K	68.4	Low	79.6	Confident	62 Å²	62	59.5 Å²	59.5	27%	0.27	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-59.4	-19.5	175.2	69.9	-162.4	174.3	-169.6	0	114.4	D337 H576 W580 L581 D592	D337-K578 IonicContact OD1-NZ 2.74Å; D337-K578 VanDerWaalsContact OD2-CG 3.3Å; D337-K578 WeakPolarHBondContact OD2-CG 3.28Å; D337-K578 PolarHBondContact OD2-N 2.95Å; H576-K578 HydrophobicContact CB-CG 4.18Å; H576-K578 PolarHBondContact O-N 2.93Å; K578-W580 PolarHBondContact O-N 2.78Å; K578-L581 HydrophobicContact CB-CD1 4.09Å; K578-L581 WeakPolarHBondContact O-CG 3.23Å; K578-L581 PolarHBondContact O-N 3.39Å; K578-D592 PolarHBondContact NZ-O 2.79Å
579	H	73.6	Confident	79.4	Confident	89 Å²	89	56 Å²	56	41%	0.412	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-71.7	-2.8	171.8	-62.7	-178.6	0	0	0	113.6	K320 H576 I577	K320-H579 PolarHBondContact NZ-O 3.19Å; H576-H579 AromaticContact CD2-CE1 3.97Å; H576-H579 WeakPolarHBondContact O-CB 3.31Å; H576-H579 PolarHBondContact O-N 2.93Å; H576-H579 VanDerWaalsContact O-N 3.13Å; I577-H579 PolarHBondContact O-N 3.5Å; I577-H579 VanDerWaalsContact O-N 3.08Å
580	W	79	Confident	79.1	Confident	10 Å²	10	58.1 Å²	58.1	4%	0.038	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-117.9	13.4	179.7	-56	88.7	0	0	0	112.8	L314 K320 Q324 I325 Q328 L347 G348 I577 K578 D582	L314-W580 HydrophobicContact CD1-CZ3 4.17Å; L314-W580 HydrophobicContact CD2-CZ3 4.43Å; K320-W580 HydrophobicContact CD-CE3 4.35Å; K320-W580 HydrophobicContact CD-CH2 4.24Å; K320-W580 HydrophobicContact CD-CZ3 4.07Å; K320-W580 VanDerWaalsContact CE-CE2 3.48Å; K320-W580 VanDerWaalsContact CE-CZ3 3.43Å; K320-W580 HydrophobicContact CG-CH2 3.96Å; K320-W580 HydrophobicContact CG-CZ3 3.88Å; Q324-W580 WeakPolarHBondContact O-CZ2 3.26Å; I325-W580 HydrophobicContact CG1-CH2 4.21Å; Q328-W580 HydrophobicContact CG-CH2 4.43Å; Q328-W580 HydrophobicContact CG-CZ2 3.99Å; L347-W580 HydrophobicContact CB-CB 4.27Å; L347-W580 HydrophobicContact CB-CD2 3.94Å; L347-W580 HydrophobicContact CB-CE3 3.58Å; L347-W580 HydrophobicContact CB-CG 4.26Å; L347-W580 HydrophobicContact CB-CZ3 4.17Å; L347-W580 HydrophobicContact CD1-CD2 3.62Å; L347-W580 HydrophobicContact CD1-CE3 3.9Å; L347-W580 HydrophobicContact CD1-CG 4Å; L347-W580 HydrophobicContact CD1-CH2 4.29Å; L347-W580 HydrophobicContact CD1-CZ2 4.05Å; L347-W580 HydrophobicContact CD1-CZ3 4.23Å; L347-W580 HydrophobicContact CG-CD2 4.36Å; L347-W580 HydrophobicContact CG-CE3 4.39Å; G348-W580 CarbonylContact C-O 3.53Å; G348-W580 VanDerWaalsContact C-O 3.23Å; G348-W580 VanDerWaalsContact O-O 3.09Å; I577-W580 WeakPolarHBondContact O-CB 3.45Å; I577-W580 PolarHBondContact O-N 2.86Å; K578-W580 PolarHBondContact O-N 2.78Å; W580-D582 PolarHBondContact O-N 3.3Å
581	L	81.9	Confident	78.6	Confident	39 Å²	39	61.7 Å²	61.7	20%	0.204	33%	0.329	C	S	.	.			trans	-61.8	131.6	171.3	-71.8	170.2	0	0	0	110.7	M349 Y350 K578 V766	M349-L581 CarbonylContact C-O 3.55Å; Y350-L581 WeakPolarHBondContact CB-O 3.46Å; Y350-L581 PolarHBondContact N-O 3.02Å; K578-L581 HydrophobicContact CB-CD1 4.09Å; K578-L581 WeakPolarHBondContact O-CG 3.23Å; K578-L581 PolarHBondContact O-N 3.39Å; L581-V766 HydrophobicContact CD2-CB 4.29Å
582	D	78	Confident	78.2	Confident	0 Å²	0	61 Å²	61	0%	0	33%	0.326	C	S	.	.	S	Bend	trans	-98	-19.8	172.6	65.9	-38.6	0	0	0	112.6	Y350 S365 L366 V367 K383 W580 M730 R767	Y350-D582 WeakPolarHBondContact CD2-O 3.3Å; S365-D582 PolarHBondContact OG-O 3.31Å; L366-D582 WeakPolarHBondContact O-CB 3.31Å; V367-D582 WeakPolarHBondContact CA-OD2 3.47Å; K383-D582 VanDerWaalsContact NZ-C 3.3Å; K383-D582 PolarHBondContact NZ-O 3.37Å; K383-D582 IonicContact NZ-OD2 3.99Å; W580-D582 PolarHBondContact O-N 3.3Å; D582-M730 WeakPolarHBondContact OD2-CE 3.46Å; D582-R767 IonicContact OD1-CZ 3.67Å; D582-R767 IonicContact OD1-NE 3.8Å; D582-R767 PolarHBondContact OD1-NE 2.92Å; D582-R767 IonicContact OD1-NH2 3.31Å; D582-R767 PolarHBondContact OD1-NH2 2.72Å; D582-R767 IonicContact OD2-CZ 2.77Å; D582-R767 IonicContact OD2-NE 3.19Å; D582-R767 IonicContact OD2-NH2 3.03Å; D582-R767 PolarHBondContact OD2-NH2 2.98Å; D582-R767 VanDerWaalsContact OD2-NH2 3.16Å
583	S	82.3	Confident	78.2	Confident	16 Å²	16	58.5 Å²	58.5	11%	0.112	32%	0.323	C	S	.	.			trans	-127.6	87.7	173.2	-81.3	0	0	0	0	110.1	K383 W585 M730	K383-S583 PolarHBondContact NZ-OG 3.37Å; S583-W585 PolarHBondContact O-N 3.18Å; S583-M730 WeakPolarHBondContact CB-O 3.35Å; S583-M730 PolarHBondContact OG-O 3.15Å
584	P	79.1	Confident	78.8	Confident	49 Å²	49	55.8 Å²	55.8	32%	0.318	31%	0.313	S	S	.	.			trans	-87	8	-169.9	34.1	-37.2	0	0	0	115.6	Y350	Y350-P584 HydrophobicContact CD1-CG 3.84Å; Y350-P584 HydrophobicContact CD2-CG 4.43Å; Y350-P584 HydrophobicContact CE1-CG 4.25Å; Y350-P584 HydrophobicContact CG-CG 3.93Å
585	W	89.2	Confident	79.7	Confident	15 Å²	15	52.8 Å²	52.8	6%	0.057	30%	0.299	C	S	.	.			trans	28.1	68.4	-178.3	-64.7	-18	0	0	0	115.8	S583 G587 F588 F589 M730 P733 Q768 R847	S583-W585 PolarHBondContact O-N 3.18Å; W585-G587 PolarHBondContact O-N 3.11Å; W585-F588 HydrophobicContact CB-CB 4.11Å; W585-F588 AromaticContact CE3-CD1 3.96Å; W585-F588 HydrophobicContact CE3-CD1 3.96Å; W585-F588 HydrophobicContact CE3-CE1 4.25Å; W585-F588 HydrophobicContact CZ3-CE1 4.39Å; W585-F588 WeakPolarHBondContact O-CB 3.28Å; W585-F588 PolarHBondContact O-N 2.9Å; W585-F588 VanDerWaalsContact O-N 3.12Å; W585-F589 AromaticContact CE3-CE2 3.86Å; W585-F589 HydrophobicContact CE3-CE2 3.86Å; W585-F589 AromaticContact CE3-CZ 3.98Å; W585-F589 HydrophobicContact CE3-CZ 3.98Å; W585-F589 HydrophobicContact CZ3-CZ 4.29Å; W585-M730 PolarHBondContact NE1-O 3.38Å; W585-P733 HydrophobicContact CB-CG 4.28Å; W585-P733 HydrophobicContact CD2-CB 3.9Å; W585-P733 HydrophobicContact CD2-CG 4.04Å; W585-P733 HydrophobicContact CE3-CB 3.74Å; W585-P733 HydrophobicContact CE3-CG 4.25Å; W585-P733 HydrophobicContact CG-CB 4.46Å; W585-P733 HydrophobicContact CG-CG 4.08Å; W585-P733 HydrophobicContact CH2-CB 4.34Å; W585-P733 HydrophobicContact CZ2-CB 4.47Å; W585-P733 HydrophobicContact CZ3-CB 3.98Å; W585-Q768 HydrophobicContact CH2-CB 4.2Å; W585-Q768 WeakPolarHBondContact CH2-O 3.29Å; W585-Q768 HydrophobicContact CZ3-CB 3.86Å; W585-R847 HydrophobicContact CH2-CB 3.78Å; W585-R847 HydrophobicContact CH2-CG 3.74Å; W585-R847 HydrophobicContact CZ3-CB 3.87Å; W585-R847 HydrophobicContact CZ3-CG 3.7Å
586	P	82.9	Confident	80.5	Confident	115 Å²	115	59 Å²	59	75%	0.747	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	122.9	-171.5	-26.4	35.7	0	0	0	113
587	G	85.4	Confident	81.4	Confident	53 Å²	53	58.6 Å²	58.6	55%	0.546	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.1	8.8	176.9	0	0	0	0	0	115.9	W585 R596	W585-G587 PolarHBondContact O-N 3.11Å; G587-R596 VanDerWaalsContact C-NH2 3.3Å; G587-R596 PolarHBondContact O-NH1 3.16Å; G587-R596 PolarHBondContact O-NH2 3.12Å
588	F	90.6	Very high	82.5	Confident	36 Å²	36	60.8 Å²	60.8	16%	0.158	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-52.2	168.6	-172	-113.3	0	0	0	111.4	W585 R596 P733 R847	W585-F588 HydrophobicContact CB-CB 4.11Å; W585-F588 AromaticContact CE3-CD1 3.96Å; W585-F588 HydrophobicContact CE3-CD1 3.96Å; W585-F588 HydrophobicContact CE3-CE1 4.25Å; W585-F588 HydrophobicContact CZ3-CE1 4.39Å; W585-F588 WeakPolarHBondContact O-CB 3.28Å; W585-F588 PolarHBondContact O-N 2.9Å; W585-F588 VanDerWaalsContact O-N 3.12Å; F588-R596 VanDerWaalsContact O-CD 3.29Å; F588-R596 WeakPolarHBondContact O-CD 3.38Å; F588-R596 PolarHBondContact O-NE 3.28Å; F588-R596 VanDerWaalsContact O-NE 3.15Å; F588-P733 HydrophobicContact CB-CG 4.07Å; F588-P733 HydrophobicContact CD1-CB 4.03Å; F588-P733 HydrophobicContact CD1-CG 4.27Å; F588-P733 HydrophobicContact CD2-CB 3.77Å; F588-P733 HydrophobicContact CD2-CG 3.62Å; F588-P733 HydrophobicContact CE1-CB 3.98Å; F588-P733 HydrophobicContact CE2-CB 3.73Å; F588-P733 HydrophobicContact CE2-CG 4.08Å; F588-P733 HydrophobicContact CG-CB 3.94Å; F588-P733 HydrophobicContact CG-CG 3.74Å; F588-P733 HydrophobicContact CZ-CB 3.84Å; F588-R847 HydrophobicContact CZ-CG 4.47Å
589	F	88	Confident	83.6	Confident	36 Å²	36	61.3 Å²	61.3	16%	0.158	34%	0.343	C	S	.	.	S	Bend	trans	-85.2	-179.8	178.2	-58.8	-63.8	0	0	0	113.6	W585 Q594 R596 Q768	W585-F589 AromaticContact CE3-CE2 3.86Å; W585-F589 HydrophobicContact CE3-CE2 3.86Å; W585-F589 AromaticContact CE3-CZ 3.98Å; W585-F589 HydrophobicContact CE3-CZ 3.98Å; W585-F589 HydrophobicContact CZ3-CZ 4.29Å; F589-Q594 CarbonylContact C-O 3.54Å; F589-Q594 WeakPolarHBondContact CA-O 3.39Å; F589-Q594 WeakPolarHBondContact CB-O 3.34Å; F589-R596 PolarHBondContact O-NE 3.16Å; F589-R596 PolarHBondContact O-NH2 2.92Å; F589-Q768 HydrophobicContact CZ-CG 4.49Å
590	T	85.3	Confident	84.5	Confident	55 Å²	55	58.4 Å²	58.4	34%	0.337	33%	0.332	S	S	.	.			trans	-72.6	173.9	160.6	67.6	0	0	0	0	111.2	D592 G593 Q594 R596	T590-D592 PolarHBondContact O-N 2.96Å; T590-G593 PolarHBondContact O-N 2.78Å; T590-Q594 PolarHBondContact N-O 2.77Å; T590-Q594 PolarHBondContact OG1-N 2.92Å; T590-Q594 VanDerWaalsContact OG1-N 3.08Å; T590-Q594 PolarHBondContact OG1-O 2.86Å; T590-R596 HydrophobicContact CG2-CG 4.27Å
591	L	76.6	Confident	85.3	Confident	182 Å²	182	61.3 Å²	61.3	95%	0.953	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-30.8	176.2	-67.9	175.4	0	0	0	112.7	G593	L591-G593 VanDerWaalsContact C-N 3.3Å; L591-G593 PolarHBondContact O-N 2.7Å
592	D	74.7	Confident	86	Confident	113 Å²	113	61.3 Å²	61.3	60%	0.604	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-10.9	-179.1	-56.8	-73	0	0	0	113.6	K578 T590	K578-D592 PolarHBondContact NZ-O 2.79Å; T590-D592 PolarHBondContact O-N 2.96Å
593	G	76.1	Confident	86.9	Confident	33 Å²	33	61.4 Å²	61.4	34%	0.34	36%	0.356	S	S	.	.	S	Bend	trans	102.9	7	-179.5	0	0	0	0	0	115.2	T590 L591	T590-G593 PolarHBondContact O-N 2.78Å; L591-G593 VanDerWaalsContact C-N 3.3Å; L591-G593 PolarHBondContact O-N 2.7Å
594	Q	84.4	Confident	87.7	Confident	89 Å²	89	61 Å²	61	42%	0.416	36%	0.355	S	S	.	.			trans	-92.4	159.1	-172.9	-67	-64.2	-13.3	0	0	113.4	F589 T590 Y819	F589-Q594 CarbonylContact C-O 3.54Å; F589-Q594 WeakPolarHBondContact CA-O 3.39Å; F589-Q594 WeakPolarHBondContact CB-O 3.34Å; T590-Q594 PolarHBondContact N-O 2.77Å; T590-Q594 PolarHBondContact OG1-N 2.92Å; T590-Q594 VanDerWaalsContact OG1-N 3.08Å; T590-Q594 PolarHBondContact OG1-O 2.86Å; Q594-Y819 PolarHBondContact OE1-OH 2.92Å
595	P	87.4	Confident	88.6	Confident	19 Å²	19	59.4 Å²	59.4	12%	0.123	34%	0.343	C	S	.	.			trans	-55.7	153.5	168.2	-23.9	35.1	0	0	0	112.4	S597 M598 Y819 P845 F846	P595-S597 WeakPolarHBondContact CB-O 3.5Å; P595-M598 HydrophobicContact CB-SD 4.02Å; P595-M598 HydrophobicContact CG-SD 4.01Å; P595-Y819 HydrophobicContact CG-CD2 3.75Å; P595-Y819 HydrophobicContact CG-CE2 3.4Å; P595-P845 HydrophobicContact CB-CB 4.37Å; P595-F846 HydrophobicContact CG-CB 4.48Å; P595-F846 HydrophobicContact CG-CD1 4.29Å
596	R	87.3	Confident	89.1	Confident	161 Å²	161	64.2 Å²	64.2	61%	0.608	37%	0.366	S	S	*	.	S	Bend	trans	-86.8	-15.9	179.4	-68.4	-178	172.4	-179.6	0.2	114.2	G587 F588 F589 T590	G587-R596 VanDerWaalsContact C-NH2 3.3Å; G587-R596 PolarHBondContact O-NH1 3.16Å; G587-R596 PolarHBondContact O-NH2 3.12Å; F588-R596 VanDerWaalsContact O-CD 3.29Å; F588-R596 WeakPolarHBondContact O-CD 3.38Å; F588-R596 PolarHBondContact O-NE 3.28Å; F588-R596 VanDerWaalsContact O-NE 3.15Å; F589-R596 PolarHBondContact O-NE 3.16Å; F589-R596 PolarHBondContact O-NH2 2.92Å; T590-R596 HydrophobicContact CG2-CG 4.27Å
597	S	90.1	Very high	89.8	Confident	51 Å²	51	61.8 Å²	61.8	36%	0.357	35%	0.345	S	S	.	.			trans	-154.9	164.8	169.8	63.5	0	0	0	0	108.4	P595 T599 P845	P595-S597 WeakPolarHBondContact CB-O 3.5Å; S597-T599 WeakPolarHBondContact CB-OG1 3.31Å; S597-T599 PolarHBondContact OG-OG1 3.2Å; S597-P845 WeakPolarHBondContact O-CB 3.27Å; S597-P845 WeakPolarHBondContact O-CG 3.36Å
598	M	91.8	Very high	90.4	Very high	54 Å²	54	64.4 Å²	64.4	27%	0.266	35%	0.347	S	S	.	.	S	Bend	trans	-112.5	49.8	171.4	-64.9	-59.4	-73.1	0	0	110	P595 N812 I815 N816 Y819	P595-M598 HydrophobicContact CB-SD 4.02Å; P595-M598 HydrophobicContact CG-SD 4.01Å; M598-N812 WeakPolarHBondContact O-CB 3.25Å; M598-I815 HydrophobicContact CE-CG2 4.45Å; M598-N816 HydrophobicContact CE-CB 4.44Å; M598-N816 VanDerWaalsContact CE-OD1 3.24Å; M598-N816 WeakPolarHBondContact CE-OD1 3.32Å; M598-Y819 HydrophobicContact CE-CD1 4.45Å; M598-Y819 HydrophobicContact CE-CG 4.05Å
599	T	91.8	Very high	90.8	Very high	72 Å²	72	63 Å²	63	44%	0.442	34%	0.341	S	S	.	.			trans	-137.1	136.8	-174.3	54.8	0	0	0	0	111	S597	S597-T599 WeakPolarHBondContact CB-OG1 3.31Å; S597-T599 PolarHBondContact OG-OG1 3.2Å
600	C	93.1	Very high	91.3	Very high	29 Å²	29	61.2 Å²	61.2	20%	0.196	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-104	129.8	166.5	-173.5	0	0	0	0	109.2	I815 L844	C600-I815 HydrophobicContact CB-CD1 3.71Å; C600-L844 HydrophobicContact CB-CD2 4.2Å
601	P	94.8	Very high	91.9	Very high	70 Å²	70	63.3 Å²	63.3	46%	0.455	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-74.2	168.8	171.3	32.9	-35.7	0	0	0	111.8	T603 L843	P601-T603 PolarHBondContact O-N 2.85Å; P601-L843 WeakPolarHBondContact CD-O 3.45Å; P601-L843 HydrophobicContact CG-CB 4.01Å; P601-L843 HydrophobicContact CG-CD2 4.1Å; P601-L843 HydrophobicContact CG-CG 4.42Å
602	S	96.7	Very high	92.9	Very high	39 Å²	39	57.5 Å²	57.5	27%	0.273	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-47.3	124.2	171.8	162.8	0	0	0	0	112.2	G604 G874 H876	S602-G604 PolarHBondContact OG-N 2.91Å; S602-G874 PolarHBondContact OG-N 3.35Å; S602-H876 WeakPolarHBondContact CA-NE2 3.4Å
603	T	98.2	Very high	94.1	Very high	2 Å²	2	52.1 Å²	52.1	1%	0.012	28%	0.277	C	S	.	.			trans	-82	-15.5	174.3	49.2	0	0	0	0	112.7	P601 H836 R839 R840 L843 T875 H876	P601-T603 PolarHBondContact O-N 2.85Å; T603-H836 WeakPolarHBondContact CB-ND1 3.28Å; T603-H836 PolarHBondContact OG1-ND1 2.86Å; T603-R839 HydrophobicContact CG2-CB 4.25Å; T603-R839 WeakPolarHBondContact O-CD 3.38Å; T603-R839 PolarHBondContact O-NE 3.38Å; T603-R840 HydrophobicContact CG2-CB 4.03Å; T603-L843 HydrophobicContact CG2-CD1 4.07Å; T603-T875 PolarHBondContact N-O 2.96Å; T603-T875 PolarHBondContact OG1-O 2.88Å; T603-H876 WeakPolarHBondContact OG1-CA 3.49Å
604	G	98.4	Very high	95.1	Very high	8 Å²	8	50.6 Å²	50.6	8%	0.082	26%	0.261	C	S	.	.			trans	-63	170.2	172.7	0	0	0	0	0	115.5	S602 H836 M871 L872 T875	S602-G604 PolarHBondContact OG-N 2.91Å; G604-H836 WeakPolarHBondContact CA-CE1 3.41Å; G604-H836 PolarHBondContact N-CE1 3.4Å; G604-M871 CarbonylContact C-O 3.59Å; G604-M871 WeakPolarHBondContact CA-O 3.44Å; G604-L872 WeakPolarHBondContact CA-O 3.39Å; G604-T875 PolarHBondContact N-O 3.49Å; G604-T875 VanDerWaalsContact N-O 3.1Å
605	L	98.5	Very high	95.8	Very high	16 Å²	16	52.3 Å²	52.3	8%	0.084	27%	0.267	C	S	.	.			trans	-139.6	152.3	-173.5	-72.1	171.3	0	0	0	112.4	V609 L610 F835 M871 L872 P873	L605-V609 HydrophobicContact CD1-CG1 4.35Å; L605-L610 HydrophobicContact CB-CD2 4.07Å; L605-L610 HydrophobicContact CB-CG 4.25Å; L605-L610 HydrophobicContact CD1-CD2 3.81Å; L605-F835 HydrophobicContact CD1-CE2 3.7Å; L605-F835 HydrophobicContact CD1-CZ 3.55Å; L605-F835 HydrophobicContact CG-CZ 3.92Å; L605-M871 PolarHBondContact N-O 3.03Å; L605-L872 WeakPolarHBondContact O-CA 3.02Å; L605-P873 WeakPolarHBondContact O-CD 3.33Å
606	E	98.4	Very high	96.3	Very high	115 Å²	115	52.1 Å²	52.1	54%	0.537	27%	0.265	S	S	.	.			trans	-57.1	142.6	168	-56.3	-57.9	155.4	0	0	111.9	D608 V609 L610 P873	E606-D608 VanDerWaalsContact C-N 3.3Å; E606-D608 VanDerWaalsContact CB-OD1 3.24Å; E606-D608 WeakPolarHBondContact CB-OD1 3.3Å; E606-D608 PolarHBondContact O-N 2.78Å; E606-V609 HydrophobicContact CB-CG2 4.23Å; E606-V609 WeakPolarHBondContact O-CB 3.44Å; E606-V609 PolarHBondContact O-N 3.47Å; E606-V609 VanDerWaalsContact O-N 3.11Å; E606-L610 PolarHBondContact O-N 3.25Å; E606-P873 HydrophobicContact CG-CG 4.46Å; E606-P873 VanDerWaalsContact OE1-CG 3.29Å; E606-P873 WeakPolarHBondContact OE1-CG 3.48Å
607	E	98.2	Very high	96.8	Very high	64 Å²	64	44.6 Å²	44.6	30%	0.299	24%	0.237	S	C	.	.	H	α-helix	trans	-64	-32.7	-173.2	-177.1	169.2	177.7	0	0	113.3	V609 L610 F611 R645 F868 L872	E607-V609 PolarHBondContact O-N 2.98Å; E607-L610 PolarHBondContact O-N 3.29Å; E607-F611 WeakPolarHBondContact O-CB 3.15Å; E607-F611 PolarHBondContact O-N 3.23Å; E607-R645 IonicContact OE1-CZ 3.98Å; E607-R645 IonicContact OE1-NE 3.69Å; E607-R645 IonicContact OE1-NH1 3.57Å; E607-R645 PolarHBondContact OE1-NH1 2.92Å; E607-R645 IonicContact OE2-CZ 3.62Å; E607-R645 IonicContact OE2-NH1 3.44Å; E607-R645 PolarHBondContact OE2-NH1 3.29Å; E607-R645 IonicContact OE2-NH2 2.88Å; E607-R645 PolarHBondContact OE2-NH2 2.86Å; E607-F868 HydrophobicContact CG-CD2 4.1Å; E607-L872 HydrophobicContact CB-CD2 3.89Å
608	D	98.3	Very high	97.1	Very high	109 Å²	109	42.2 Å²	42.2	58%	0.583	22%	0.221	S	C	*	.	H	α-helix	trans	-61.7	-34.5	177.3	77	-57.2	0	0	0	111.6	E606 H612	E606-D608 VanDerWaalsContact C-N 3.3Å; E606-D608 VanDerWaalsContact CB-OD1 3.24Å; E606-D608 WeakPolarHBondContact CB-OD1 3.3Å; E606-D608 PolarHBondContact O-N 2.78Å; D608-H612 WeakPolarHBondContact O-CB 3.28Å; D608-H612 PolarHBondContact O-N 3.16Å
609	V	98.3	Very high	97.3	Very high	5 Å²	5	41 Å²	41	3%	0.03	22%	0.217	C	C	.	.	H	α-helix	trans	-69.1	-46.3	176.8	-175.5	0	0	0	0	110.6	L605 E606 E607 H612 I613 K662 W703	L605-V609 HydrophobicContact CD1-CG1 4.35Å; E606-V609 HydrophobicContact CB-CG2 4.23Å; E606-V609 WeakPolarHBondContact O-CB 3.44Å; E606-V609 PolarHBondContact O-N 3.47Å; E606-V609 VanDerWaalsContact O-N 3.11Å; E607-V609 PolarHBondContact O-N 2.98Å; V609-H612 PolarHBondContact O-N 3.1Å; V609-I613 HydrophobicContact CG1-CD1 3.77Å; V609-I613 HydrophobicContact CG1-CG1 4.48Å; V609-I613 WeakPolarHBondContact O-CB 3.41Å; V609-I613 WeakPolarHBondContact O-CD1 3.11Å; V609-I613 VanDerWaalsContact O-CG1 3.23Å; V609-I613 WeakPolarHBondContact O-CG1 3.41Å; V609-I613 PolarHBondContact O-N 3.42Å; V609-K662 HydrophobicContact CG1-CD 4.23Å; V609-W703 HydrophobicContact CG1-CH2 4Å; V609-W703 HydrophobicContact CG1-CZ2 4.45Å
610	L	98.6	Very high	97.5	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-58.9	-50.4	174.6	-61.6	179.6	0	0	0	110.5	L605 E606 E607 H612 I613 G614 M655 F835 F868 M871 L872	L605-L610 HydrophobicContact CB-CD2 4.07Å; L605-L610 HydrophobicContact CB-CG 4.25Å; L605-L610 HydrophobicContact CD1-CD2 3.81Å; E606-L610 PolarHBondContact O-N 3.25Å; E607-L610 PolarHBondContact O-N 3.29Å; L610-H612 PolarHBondContact O-N 3.12Å; L610-I613 PolarHBondContact O-N 3.14Å; L610-G614 PolarHBondContact O-N 2.94Å; L610-M655 HydrophobicContact CB-CE 4.31Å; L610-M655 HydrophobicContact CB-SD 4.28Å; L610-M655 HydrophobicContact CD2-CB 4.24Å; L610-M655 HydrophobicContact CD2-CG 4.27Å; L610-M655 HydrophobicContact CD2-SD 3.84Å; L610-M655 WeakPolarHBondContact O-CE 3.49Å; L610-F835 HydrophobicContact CD2-CE2 4.31Å; L610-F835 HydrophobicContact CD2-CZ 4.37Å; L610-F868 HydrophobicContact CB-CD2 4.18Å; L610-F868 HydrophobicContact CB-CE2 3.97Å; L610-F868 HydrophobicContact CB-CZ 4.39Å; L610-F868 HydrophobicContact CD1-CB 4.29Å; L610-F868 HydrophobicContact CD1-CD2 4.21Å; L610-F868 HydrophobicContact CD1-CG 4.18Å; L610-M871 HydrophobicContact CD1-CB 4.08Å; L610-M871 HydrophobicContact CD1-CE 4.47Å; L610-M871 HydrophobicContact CD2-CE 3.83Å; L610-L872 HydrophobicContact CD1-CD2 4.28Å
611	F	98.4	Very high	97.6	Very high	99 Å²	99	40.7 Å²	40.7	43%	0.434	22%	0.216	S	C	.	.	H	α-helix	trans	-62.7	-42.6	-179.6	-173.4	-92.6	0	0	0	112.5	E607 G614 K615 V642	E607-F611 WeakPolarHBondContact O-CB 3.15Å; E607-F611 PolarHBondContact O-N 3.23Å; F611-G614 PolarHBondContact O-N 3.47Å; F611-K615 VanDerWaalsContact O-CB 3.28Å; F611-K615 WeakPolarHBondContact O-CB 3.39Å; F611-K615 PolarHBondContact O-N 3Å; F611-V642 HydrophobicContact CD2-CG1 3.65Å; F611-V642 HydrophobicContact CE2-CG1 3.92Å; F611-V642 HydrophobicContact CG-CG1 4.35Å
612	H	98.3	Very high	97.6	Very high	60 Å²	60	39.5 Å²	39.5	28%	0.278	21%	0.207	S	C	.	.	H	α-helix	trans	-64.6	-47.9	177.8	179.1	82.1	0	0	0	112.1	D608 V609 L610 G614 K615 V616 L702 W703	D608-H612 WeakPolarHBondContact O-CB 3.28Å; D608-H612 PolarHBondContact O-N 3.16Å; V609-H612 PolarHBondContact O-N 3.1Å; L610-H612 PolarHBondContact O-N 3.12Å; H612-G614 VanDerWaalsContact C-N 3.34Å; H612-G614 PolarHBondContact O-N 3.01Å; H612-K615 WeakPolarHBondContact O-CB 3.24Å; H612-K615 PolarHBondContact O-N 2.91Å; H612-V616 PolarHBondContact O-N 3.17Å; H612-V616 VanDerWaalsContact O-N 3.11Å; H612-L702 PolarHBondContact NE2-O 3.23Å; H612-W703 AromaticContact CD2-CE2 3.53Å; H612-W703 AromaticContact CD2-CH2 3.76Å; H612-W703 AromaticContact CD2-CZ2 3.24Å; H612-W703 WeakPolarHBondContact CD2-CZ2 3.46Å; H612-W703 AromaticContact CD2-NE1 3.91Å; H612-W703 AromaticContact NE2-CE2 3.66Å; H612-W703 AromaticContact NE2-CZ2 3.88Å; H612-W703 AromaticContact NE2-NE1 3.72Å
613	I	98.6	Very high	97.4	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-61	-46.1	177	-63.7	163.9	0	0	0	110	V609 L610 K615 V616 A617 Y654 M655 L702 W703	V609-I613 HydrophobicContact CG1-CD1 3.77Å; V609-I613 HydrophobicContact CG1-CG1 4.48Å; V609-I613 WeakPolarHBondContact O-CB 3.41Å; V609-I613 WeakPolarHBondContact O-CD1 3.11Å; V609-I613 VanDerWaalsContact O-CG1 3.23Å; V609-I613 WeakPolarHBondContact O-CG1 3.41Å; V609-I613 PolarHBondContact O-N 3.42Å; L610-I613 PolarHBondContact O-N 3.14Å; I613-K615 VanDerWaalsContact C-N 3.32Å; I613-K615 PolarHBondContact O-N 3.29Å; I613-V616 PolarHBondContact O-N 3.27Å; I613-V616 VanDerWaalsContact O-N 3.15Å; I613-A617 WeakPolarHBondContact O-CB 3.36Å; I613-A617 PolarHBondContact O-N 2.94Å; I613-Y654 HydrophobicContact CG2-CD1 3.5Å; I613-Y654 HydrophobicContact CG2-CE1 3.96Å; I613-M655 HydrophobicContact CB-CG 4.44Å; I613-M655 HydrophobicContact CG2-CG 4.21Å; I613-L702 HydrophobicContact CB-CD2 4.29Å; I613-L702 HydrophobicContact CG1-CD2 4.17Å; I613-L702 HydrophobicContact CG2-CD2 4.13Å; I613-W703 HydrophobicContact CD1-CH2 4.02Å; I613-W703 HydrophobicContact CD1-CZ3 4.41Å; I613-W703 HydrophobicContact CG1-CH2 3.62Å; I613-W703 HydrophobicContact CG1-CZ3 4.04Å
614	G	98.1	Very high	97.2	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-63	-34.6	178.1	0	0	0	0	0	114	L610 F611 H612 S618	L610-G614 PolarHBondContact O-N 2.94Å; F611-G614 PolarHBondContact O-N 3.47Å; H612-G614 VanDerWaalsContact C-N 3.34Å; H612-G614 PolarHBondContact O-N 3.01Å; G614-S618 WeakPolarHBondContact O-CB 3.36Å; G614-S618 PolarHBondContact O-N 2.92Å; G614-S618 VanDerWaalsContact O-N 3.14Å; G614-S618 PolarHBondContact O-OG 2.96Å
615	K	97.9	Very high	97.1	Very high	125 Å²	125	52.6 Å²	52.6	54%	0.543	27%	0.266	S	S	.	.	H	α-helix	trans	-63.6	-41.2	172.8	-179.7	-175	174.6	-171.2	0	111.6	F611 H612 I613 S618 S619	F611-K615 VanDerWaalsContact O-CB 3.28Å; F611-K615 WeakPolarHBondContact O-CB 3.39Å; F611-K615 PolarHBondContact O-N 3Å; H612-K615 WeakPolarHBondContact O-CB 3.24Å; H612-K615 PolarHBondContact O-N 2.91Å; I613-K615 VanDerWaalsContact C-N 3.32Å; I613-K615 PolarHBondContact O-N 3.29Å; K615-S618 PolarHBondContact O-OG 3.17Å; K615-S618 VanDerWaalsContact O-OG 3.13Å; K615-S619 WeakPolarHBondContact O-CB 3.28Å
616	V	97.9	Very high	97.1	Very high	15 Å²	15	54.5 Å²	54.5	9%	0.091	28%	0.278	C	S	.	.	H	α-helix	trans	-72.5	-44	176.5	178.2	0	0	0	0	111.1	H612 I613 S618 S619 P698 L702	H612-V616 PolarHBondContact O-N 3.17Å; H612-V616 VanDerWaalsContact O-N 3.11Å; I613-V616 PolarHBondContact O-N 3.27Å; I613-V616 VanDerWaalsContact O-N 3.15Å; V616-S618 PolarHBondContact O-N 3.3Å; V616-S619 WeakPolarHBondContact CA-OG 3.19Å; V616-S619 PolarHBondContact O-N 3.21Å; V616-S619 PolarHBondContact O-OG 2.82Å; V616-P698 HydrophobicContact CG1-CB 4.31Å; V616-P698 WeakPolarHBondContact CG1-O 3.36Å; V616-L702 HydrophobicContact CB-CD2 3.66Å; V616-L702 HydrophobicContact CG1-CD2 3.82Å; V616-L702 HydrophobicContact CG1-CG 4.49Å; V616-L702 HydrophobicContact CG2-CD2 3.99Å
617	A	97.4	Very high	97	Very high	3 Å²	3	50.5 Å²	50.5	3%	0.025	26%	0.26	C	S	.	.	H	α-helix	trans	-60.3	-14.4	176	0	0	0	0	0	114.7	I613 L635 R638 L651 Y654	I613-A617 WeakPolarHBondContact O-CB 3.36Å; I613-A617 PolarHBondContact O-N 2.94Å; A617-L635 WeakPolarHBondContact O-CD2 3.49Å; A617-R638 VanDerWaalsContact O-CD 3.23Å; A617-R638 WeakPolarHBondContact O-CD 3.37Å; A617-R638 PolarHBondContact O-NH1 3.42Å; A617-L651 HydrophobicContact CB-CD1 4.11Å; A617-Y654 HydrophobicContact CB-CD1 3.59Å; A617-Y654 HydrophobicContact CB-CD2 3.62Å; A617-Y654 HydrophobicContact CB-CE1 3.62Å; A617-Y654 HydrophobicContact CB-CE2 3.64Å; A617-Y654 HydrophobicContact CB-CG 3.61Å
618	S	97.3	Very high	97	Very high	2 Å²	2	52.8 Å²	52.8	1%	0.014	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.4	24.2	175.9	62	0	0	0	0	113	G614 K615 V616 L635 R639	G614-S618 WeakPolarHBondContact O-CB 3.36Å; G614-S618 PolarHBondContact O-N 2.92Å; G614-S618 VanDerWaalsContact O-N 3.14Å; G614-S618 PolarHBondContact O-OG 2.96Å; K615-S618 PolarHBondContact O-OG 3.17Å; K615-S618 VanDerWaalsContact O-OG 3.13Å; V616-S618 PolarHBondContact O-N 3.3Å; S618-L635 VanDerWaalsContact CB-O 3.28Å; S618-L635 WeakPolarHBondContact CB-O 3.46Å; S618-R639 PolarHBondContact O-NH2 2.97Å
619	S	95.9	Very high	96.9	Very high	27 Å²	27	49.8 Å²	49.8	19%	0.189	27%	0.266	C	S	.	.	S	Bend	trans	-137.9	173.1	-175.6	78.1	0	0	0	0	113.6	K615 V616	K615-S619 WeakPolarHBondContact O-CB 3.28Å; V616-S619 WeakPolarHBondContact CA-OG 3.19Å; V616-S619 PolarHBondContact O-N 3.21Å; V616-S619 PolarHBondContact O-OG 2.82Å
620	V	97	Very high	96.8	Very high	47 Å²	47	50.9 Å²	50.9	29%	0.285	28%	0.278	S	S	.	.			trans	-119.3	100.2	167.9	-176	0	0	0	0	106.2	V622 F625 I627 L635 L686	V620-V622 HydrophobicContact CG1-CG2 3.82Å; V620-V622 PolarHBondContact O-N 3.27Å; V620-V622 VanDerWaalsContact O-N 3.1Å; V620-F625 HydrophobicContact CG1-CB 3.98Å; V620-F625 HydrophobicContact CG1-CD1 3.86Å; V620-F625 HydrophobicContact CG1-CG 4.1Å; V620-I627 HydrophobicContact CG2-CD1 3.87Å; V620-I627 HydrophobicContact CG2-CG1 4.34Å; V620-I627 HydrophobicContact CG2-CG2 3.84Å; V620-L635 HydrophobicContact CG2-CD1 3.98Å; V620-L686 HydrophobicContact CB-CD1 4.48Å; V620-L686 HydrophobicContact CG1-CD1 4.35Å; V620-L686 HydrophobicContact CG2-CD1 3.92Å
621	P	94.6	Very high	96.7	Very high	48 Å²	48	51.7 Å²	51.7	31%	0.312	28%	0.282	S	S	.	.			trans	-82.6	23.5	-169.6	33.5	-36.9	0	0	0	113.9	P698 H701	P621-P698 HydrophobicContact CG-CB 3.9Å; P621-P698 HydrophobicContact CG-CG 4.45Å; P621-H701 HydrophobicContact CB-CB 3.87Å; P621-H701 HydrophobicContact CG-CB 3.74Å
622	V	94.2	Very high	96.6	Very high	46 Å²	46	49.5 Å²	49.5	28%	0.279	28%	0.279	S	S	.	.	S	Bend	trans	-134.9	138.2	-176.7	-71.6	0	0	0	0	110.8	V620 F625 C696	V620-V622 HydrophobicContact CG1-CG2 3.82Å; V620-V622 PolarHBondContact O-N 3.27Å; V620-V622 VanDerWaalsContact O-N 3.1Å; V622-F625 HydrophobicContact CG2-CB 3.67Å; V622-F625 HydrophobicContact CG2-CD2 3.6Å; V622-F625 HydrophobicContact CG2-CE2 4.37Å; V622-F625 HydrophobicContact CG2-CG 3.71Å; V622-C696 HydrophobicContact CG2-CB 3.76Å; V622-C696 VanDerWaalsContact CG2-SG 3.59Å
623	E	93	Very high	96.5	Very high	160 Å²	160	55.7 Å²	55.7	75%	0.748	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	153.2	-176.2	-63.4	-171	170.5	0	0	113.1	F625 R694	E623-F625 PolarHBondContact O-N 2.89Å; E623-F625 VanDerWaalsContact O-N 3.11Å; E623-R694 PolarHBondContact O-NH2 3.34Å
624	N	93.6	Very high	96.4	Very high	142 Å²	142	58.3 Å²	58.3	76%	0.759	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	30.1	175	-55.8	-55	0	0	0	114.1	R694	N624-R694 PolarHBondContact O-NH1 2.74Å
625	F	97.3	Very high	96.4	Very high	22 Å²	22	58.9 Å²	58.9	10%	0.096	32%	0.316	C	S	.	.			trans	-104.3	121.4	-175.5	-168.2	-74.7	0	0	0	111	V620 V622 E623 I627 L686 D688 R694 C696	V620-F625 HydrophobicContact CG1-CB 3.98Å; V620-F625 HydrophobicContact CG1-CD1 3.86Å; V620-F625 HydrophobicContact CG1-CG 4.1Å; V622-F625 HydrophobicContact CG2-CB 3.67Å; V622-F625 HydrophobicContact CG2-CD2 3.6Å; V622-F625 HydrophobicContact CG2-CE2 4.37Å; V622-F625 HydrophobicContact CG2-CG 3.71Å; E623-F625 PolarHBondContact O-N 2.89Å; E623-F625 VanDerWaalsContact O-N 3.11Å; F625-I627 HydrophobicContact CD1-CG2 3.91Å; F625-I627 HydrophobicContact CE1-CG2 3.87Å; F625-L686 HydrophobicContact CE1-CB 4.01Å; F625-L686 HydrophobicContact CZ-CB 4.27Å; F625-L686 WeakPolarHBondContact CZ-O 3.48Å; F625-D688 WeakPolarHBondContact CA-OD2 3.15Å; F625-D688 HydrophobicContact CD1-CB 4.49Å; F625-D688 HydrophobicContact CD2-CB 4.32Å; F625-D688 HydrophobicContact CE1-CB 4.21Å; F625-D688 HydrophobicContact CE2-CB 4.04Å; F625-D688 HydrophobicContact CZ-CB 3.97Å; F625-D688 VanDerWaalsContact CZ-N 3.26Å; F625-R694 HydrophobicContact CD2-CG 4.31Å; F625-R694 HydrophobicContact CE2-CG 4.02Å; F625-C696 HydrophobicContact CD2-CB 4.23Å; F625-C696 HydrophobicContact CE1-CB 4.46Å; F625-C696 HydrophobicContact CE2-CB 3.69Å; F625-C696 HydrophobicContact CZ-CB 3.83Å
626	T	97.2	Very high	96.4	Very high	56 Å²	56	59.1 Å²	59.1	34%	0.344	32%	0.317	S	S	.	.			trans	-98.9	109.2	-172.6	-48.3	0	0	0	0	110.9	D688 Q689 N690	T626-D688 VanDerWaalsContact CB-OD1 3.29Å; T626-D688 WeakPolarHBondContact CB-OD1 3.01Å; T626-D688 PolarHBondContact N-OD1 3.28Å; T626-D688 PolarHBondContact N-OD2 3.3Å; T626-D688 CarbonylContact O-C 3.48Å; T626-D688 WeakPolarHBondContact O-CA 3.36Å; T626-Q689 HydrophobicContact CG2-CB 4.26Å; T626-Q689 WeakPolarHBondContact O-CG 3.39Å; T626-Q689 PolarHBondContact O-N 3.47Å; T626-N690 WeakPolarHBondContact CB-ND2 3.22Å; T626-N690 PolarHBondContact OG1-ND2 3.5Å
627	I	97.2	Very high	96.3	Very high	30 Å²	30	61.5 Å²	61.5	15%	0.154	33%	0.332	C	S	.	.			trans	-89.1	153.1	175	56.2	166.8	0	0	0	112.9	V620 F625 L631 S632 L635 L686	V620-I627 HydrophobicContact CG2-CD1 3.87Å; V620-I627 HydrophobicContact CG2-CG1 4.34Å; V620-I627 HydrophobicContact CG2-CG2 3.84Å; F625-I627 HydrophobicContact CD1-CG2 3.91Å; F625-I627 HydrophobicContact CE1-CG2 3.87Å; I627-L631 HydrophobicContact CB-CD2 4.17Å; I627-L631 HydrophobicContact CD1-CG 4.41Å; I627-L631 HydrophobicContact CG2-CD2 4.16Å; I627-S632 WeakPolarHBondContact CD1-OG 3.3Å; I627-L635 HydrophobicContact CD1-CD1 3.74Å; I627-L686 HydrophobicContact CG2-CB 4.3Å; I627-L686 HydrophobicContact CG2-CD1 4.24Å
628	H	97.7	Very high	96.3	Very high	113 Å²	113	61.7 Å²	61.7	52%	0.523	33%	0.332	S	S	.	.			trans	-58.8	136.6	173.3	-177.7	-117.7	0	0	0	111.8	G630 L631 S632 Q689	H628-G630 PolarHBondContact ND1-N 3.05Å; H628-G630 PolarHBondContact O-N 2.93Å; H628-L631 HydrophobicContact CB-CB 4.47Å; H628-L631 WeakPolarHBondContact O-CA 3.27Å; H628-L631 VanDerWaalsContact O-CB 3.31Å; H628-L631 WeakPolarHBondContact O-CB 3.36Å; H628-L631 PolarHBondContact O-N 3.22Å; H628-S632 PolarHBondContact O-N 2.98Å; H628-S632 PolarHBondContact O-OG 3.09Å; H628-Q689 HydrophobicContact CB-CG 4.29Å
629	G	96.7	Very high	96.3	Very high	46 Å²	46	67.8 Å²	67.8	47%	0.474	36%	0.355	S	S	.	.	H	α-helix	trans	-60.4	-22.3	-174.7	0	0	0	0	0	115.5
630	G	96.4	Very high	96.4	Very high	28 Å²	28	70.3 Å²	70.3	29%	0.289	36%	0.364	S	S	.	.	H	α-helix	trans	-71.3	-37.6	170.1	0	0	0	0	0	113.2	H628 R633 I634	H628-G630 PolarHBondContact ND1-N 3.05Å; H628-G630 PolarHBondContact O-N 2.93Å; G630-R633 WeakPolarHBondContact O-CB 3.3Å; G630-R633 PolarHBondContact O-N 2.77Å; G630-I634 PolarHBondContact O-N 3.49Å
631	L	96.1	Very high	96.5	Very high	17 Å²	17	68.4 Å²	68.4	9%	0.089	35%	0.352	C	S	.	.	H	α-helix	trans	-69	-36.1	177.9	-179	55.5	0	0	0	111.1	I627 H628 R633 I634 L635 H683 L686	I627-L631 HydrophobicContact CB-CD2 4.17Å; I627-L631 HydrophobicContact CD1-CG 4.41Å; I627-L631 HydrophobicContact CG2-CD2 4.16Å; H628-L631 HydrophobicContact CB-CB 4.47Å; H628-L631 WeakPolarHBondContact O-CA 3.27Å; H628-L631 VanDerWaalsContact O-CB 3.31Å; H628-L631 WeakPolarHBondContact O-CB 3.36Å; H628-L631 PolarHBondContact O-N 3.22Å; L631-R633 PolarHBondContact O-N 3.23Å; L631-I634 HydrophobicContact CD1-CB 4.49Å; L631-I634 PolarHBondContact O-N 3.3Å; L631-L635 HydrophobicContact CD1-CG 4.4Å; L631-L635 WeakPolarHBondContact O-CG 3.46Å; L631-L635 PolarHBondContact O-N 2.96Å; L631-H683 HydrophobicContact CD1-CB 3.86Å; L631-L686 HydrophobicContact CD1-CD2 4.49Å; L631-L686 HydrophobicContact CD2-CB 4.43Å; L631-L686 HydrophobicContact CD2-CD2 3.98Å
632	S	96.2	Very high	96.6	Very high	53 Å²	53	66.3 Å²	66.3	37%	0.371	34%	0.338	S	S	.	.	H	α-helix	trans	-56.2	-32.5	172	-46.5	0	0	0	0	113	I627 H628 K636	I627-S632 WeakPolarHBondContact CD1-OG 3.3Å; H628-S632 PolarHBondContact O-N 2.98Å; H628-S632 PolarHBondContact O-OG 3.09Å; S632-K636 WeakPolarHBondContact O-CB 3.14Å; S632-K636 PolarHBondContact O-N 3.13Å; S632-K636 VanDerWaalsContact O-N 3.14Å
633	R	96.6	Very high	96.8	Very high	190 Å²	190	68.7 Å²	68.7	72%	0.717	35%	0.353	S	S	*	.	H	α-helix	trans	-72.6	-43.4	174.8	-59.5	175.3	-173.5	178	0.9	111.4	G630 L631 K636 T637	G630-R633 WeakPolarHBondContact O-CB 3.3Å; G630-R633 PolarHBondContact O-N 2.77Å; L631-R633 PolarHBondContact O-N 3.23Å; R633-K636 WeakPolarHBondContact O-CB 3.48Å; R633-K636 PolarHBondContact O-N 2.75Å; R633-T637 PolarHBondContact O-N 3.41Å; R633-T637 PolarHBondContact O-OG1 2.92Å
634	I	96.4	Very high	97	Very high	55 Å²	55	66.4 Å²	66.4	28%	0.282	35%	0.346	S	S	.	.	H	α-helix	trans	-60.1	-47.3	177	-63	173.3	0	0	0	110.6	G630 L631 K636 T637 R638 H683	G630-I634 PolarHBondContact O-N 3.49Å; L631-I634 HydrophobicContact CD1-CB 4.49Å; L631-I634 PolarHBondContact O-N 3.3Å; I634-K636 VanDerWaalsContact C-N 3.34Å; I634-K636 PolarHBondContact O-N 2.9Å; I634-T637 PolarHBondContact O-N 2.9Å; I634-R638 PolarHBondContact O-N 2.88Å; I634-H683 WeakPolarHBondContact CD1-NE2 3.34Å
635	L	97.3	Very high	97.3	Very high	12 Å²	12	63.8 Å²	63.8	6%	0.063	33%	0.326	C	S	.	.	H	α-helix	trans	-63.4	-37.8	176.9	-62	-177.8	0	0	0	112	A617 S618 V620 I627 L631 R638 R639	A617-L635 WeakPolarHBondContact O-CD2 3.49Å; S618-L635 VanDerWaalsContact CB-O 3.28Å; S618-L635 WeakPolarHBondContact CB-O 3.46Å; V620-L635 HydrophobicContact CG2-CD1 3.98Å; I627-L635 HydrophobicContact CD1-CD1 3.74Å; L631-L635 HydrophobicContact CD1-CG 4.4Å; L631-L635 WeakPolarHBondContact O-CG 3.46Å; L631-L635 PolarHBondContact O-N 2.96Å; L635-R638 PolarHBondContact O-N 2.82Å; L635-R639 PolarHBondContact O-N 2.67Å; L635-R639 VanDerWaalsContact O-N 3.07Å
636	K	97.6	Very high	97.3	Very high	129 Å²	129	64.4 Å²	64.4	56%	0.561	33%	0.331	S	S	*	.	H	α-helix	trans	-61.2	-46.6	173	-175.8	174.4	-177	-76.3	0	111.8	S632 R633 I634 R638 R639 E640	S632-K636 WeakPolarHBondContact O-CB 3.14Å; S632-K636 PolarHBondContact O-N 3.13Å; S632-K636 VanDerWaalsContact O-N 3.14Å; R633-K636 WeakPolarHBondContact O-CB 3.48Å; R633-K636 PolarHBondContact O-N 2.75Å; I634-K636 VanDerWaalsContact C-N 3.34Å; I634-K636 PolarHBondContact O-N 2.9Å; K636-R638 PolarHBondContact O-N 2.84Å; K636-R639 WeakPolarHBondContact O-CB 3.31Å; K636-R639 PolarHBondContact O-N 2.71Å; K636-R639 VanDerWaalsContact O-N 3.11Å; K636-E640 IonicContact NZ-OE1 2.72Å; K636-E640 PolarHBondContact NZ-OE1 3.16Å; K636-E640 WeakPolarHBondContact O-CG 3.25Å; K636-E640 PolarHBondContact O-N 2.93Å
637	T	96.7	Very high	97.3	Very high	66 Å²	66	61.7 Å²	61.7	41%	0.405	32%	0.315	S	S	.	.	H	α-helix	trans	-65.9	-36.3	178.3	-63	0	0	0	0	112.8	R633 I634 R639 E640 L641	R633-T637 PolarHBondContact O-N 3.41Å; R633-T637 PolarHBondContact O-OG1 2.92Å; I634-T637 PolarHBondContact O-N 2.9Å; T637-R639 VanDerWaalsContact C-N 3.31Å; T637-R639 PolarHBondContact O-N 3.3Å; T637-E640 WeakPolarHBondContact CA-OE2 3.48Å; T637-E640 PolarHBondContact O-N 2.71Å; T637-L641 WeakPolarHBondContact O-CG 3.24Å; T637-L641 PolarHBondContact O-N 2.65Å
638	R	97.4	Very high	97.4	Very high	7 Å²	7	61.9 Å²	61.9	3%	0.026	32%	0.316	C	S	.	.	H	α-helix	trans	-59.2	-41.7	169.4	-73.7	-179	179.9	173.7	-0.4	112.1	A617 I634 L635 K636 E640 L641 V642 H681 R682	A617-R638 VanDerWaalsContact O-CD 3.23Å; A617-R638 WeakPolarHBondContact O-CD 3.37Å; A617-R638 PolarHBondContact O-NH1 3.42Å; I634-R638 PolarHBondContact O-N 2.88Å; L635-R638 PolarHBondContact O-N 2.82Å; K636-R638 PolarHBondContact O-N 2.84Å; R638-E640 VanDerWaalsContact C-N 3.34Å; R638-E640 PolarHBondContact O-N 3.34Å; R638-L641 PolarHBondContact O-N 3.18Å; R638-V642 VanDerWaalsContact O-CG2 3.29Å; R638-V642 WeakPolarHBondContact O-CG2 3.36Å; R638-V642 PolarHBondContact O-N 2.71Å; R638-H681 PolarHBondContact NH2-O 2.91Å; R638-R682 PolarHBondContact NH2-O 2.74Å
639	R	98.1	Very high	97.4	Very high	130 Å²	130	56.7 Å²	56.7	49%	0.491	29%	0.291	S	S	.	.	H	α-helix	trans	-63.9	-40.7	176.6	-163.1	171.3	-64.1	176.4	2.7	112	S618 L635 K636 T637 V642 T643	S618-R639 PolarHBondContact O-NH2 2.97Å; L635-R639 PolarHBondContact O-N 2.67Å; L635-R639 VanDerWaalsContact O-N 3.07Å; K636-R639 WeakPolarHBondContact O-CB 3.31Å; K636-R639 PolarHBondContact O-N 2.71Å; K636-R639 VanDerWaalsContact O-N 3.11Å; T637-R639 VanDerWaalsContact C-N 3.31Å; T637-R639 PolarHBondContact O-N 3.3Å; R639-V642 PolarHBondContact O-N 2.79Å; R639-T643 WeakPolarHBondContact O-CB 3.39Å; R639-T643 PolarHBondContact O-N 3.39Å; R639-T643 PolarHBondContact O-OG1 3.4Å; R639-T643 VanDerWaalsContact O-OG1 3.13Å
640	E	98.2	Very high	97.4	Very high	79 Å²	79	54.7 Å²	54.7	37%	0.369	27%	0.271	S	S	.	.	H	α-helix	trans	-62	-42.9	175.6	-69	162.9	168.3	0	0	111.7	K636 T637 R638 T643 N644	K636-E640 IonicContact NZ-OE1 2.72Å; K636-E640 PolarHBondContact NZ-OE1 3.16Å; K636-E640 WeakPolarHBondContact O-CG 3.25Å; K636-E640 PolarHBondContact O-N 2.93Å; T637-E640 WeakPolarHBondContact CA-OE2 3.48Å; T637-E640 PolarHBondContact O-N 2.71Å; R638-E640 VanDerWaalsContact C-N 3.34Å; R638-E640 PolarHBondContact O-N 3.34Å; E640-T643 PolarHBondContact O-N 2.9Å; E640-N644 WeakPolarHBondContact O-CB 3.46Å; E640-N644 PolarHBondContact O-N 2.88Å; E640-N644 PolarHBondContact O-ND2 2.94Å; E640-N644 VanDerWaalsContact O-ND2 3.08Å
641	L	97.9	Very high	97.5	Very high	7 Å²	7	53.4 Å²	53.4	4%	0.037	26%	0.257	C	S	.	.	H	α-helix	trans	-59.4	-48.5	173.9	-71.5	172.9	0	0	0	111.9	T637 R638 N644 R645 T646 D648 L651	T637-L641 WeakPolarHBondContact O-CG 3.24Å; T637-L641 PolarHBondContact O-N 2.65Å; R638-L641 PolarHBondContact O-N 3.18Å; L641-N644 CarbonylContact O-C 3.48Å; L641-N644 PolarHBondContact O-N 3.31Å; L641-N644 VanDerWaalsContact O-N 3.13Å; L641-R645 PolarHBondContact O-N 2.95Å; L641-T646 CarbonylContact C-O 3.09Å; L641-T646 VanDerWaalsContact C-O 3.26Å; L641-T646 WeakPolarHBondContact CB-O 3.43Å; L641-T646 WeakPolarHBondContact CD2-OG1 3.46Å; L641-T646 PolarHBondContact O-N 3.33Å; L641-T646 VanDerWaalsContact O-O 3.06Å; L641-T646 PolarHBondContact O-OG1 2.98Å; L641-T646 VanDerWaalsContact O-OG1 3.04Å; L641-D648 HydrophobicContact CD1-CB 4.09Å; L641-D648 WeakPolarHBondContact CD1-OD2 3.35Å; L641-L651 HydrophobicContact CB-CD2 4.02Å
642	V	98.1	Very high	97.6	Very high	4 Å²	4	52.6 Å²	52.6	2%	0.024	25%	0.253	C	S	.	.	H	α-helix	trans	-61.1	-45.8	178.1	173.6	0	0	0	0	111.9	F611 R638 R639 N644 R645 L651 M655 F868	F611-V642 HydrophobicContact CD2-CG1 3.65Å; F611-V642 HydrophobicContact CE2-CG1 3.92Å; F611-V642 HydrophobicContact CG-CG1 4.35Å; R638-V642 VanDerWaalsContact O-CG2 3.29Å; R638-V642 WeakPolarHBondContact O-CG2 3.36Å; R638-V642 PolarHBondContact O-N 2.71Å; R639-V642 PolarHBondContact O-N 2.79Å; V642-N644 PolarHBondContact O-N 2.86Å; V642-R645 PolarHBondContact O-N 3.49Å; V642-R645 VanDerWaalsContact O-N 3.13Å; V642-L651 HydrophobicContact CG2-CD1 4.16Å; V642-L651 HydrophobicContact CG2-CD2 3.62Å; V642-L651 HydrophobicContact CG2-CG 4.5Å; V642-M655 HydrophobicContact CG2-CE 4.44Å; V642-F868 HydrophobicContact CG1-CZ 4.32Å
643	T	97.6	Very high	97.8	Very high	97 Å²	97	50.1 Å²	50.1	60%	0.595	24%	0.236	S	C	*	.	H	α-helix	trans	-62	-30.6	176	-63.8	0	0	0	0	112.2	R639 E640 R645	R639-T643 WeakPolarHBondContact O-CB 3.39Å; R639-T643 PolarHBondContact O-N 3.39Å; R639-T643 PolarHBondContact O-OG1 3.4Å; R639-T643 VanDerWaalsContact O-OG1 3.13Å; E640-T643 PolarHBondContact O-N 2.9Å; T643-R645 VanDerWaalsContact C-N 3.33Å
644	N	97.9	Very high	97.9	Very high	112 Å²	112	41.2 Å²	41.2	60%	0.599	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.4	9.9	177.6	-65.8	-24.6	0	0	0	114	E640 L641 V642 T646	E640-N644 WeakPolarHBondContact O-CB 3.46Å; E640-N644 PolarHBondContact O-N 2.88Å; E640-N644 PolarHBondContact O-ND2 2.94Å; E640-N644 VanDerWaalsContact O-ND2 3.08Å; L641-N644 CarbonylContact O-C 3.48Å; L641-N644 PolarHBondContact O-N 3.31Å; L641-N644 VanDerWaalsContact O-N 3.13Å; V642-N644 PolarHBondContact O-N 2.86Å; N644-T646 VanDerWaalsContact C-N 3.26Å; N644-T646 PolarHBondContact O-N 3.4Å
645	R	98.2	Very high	98	Very high	87 Å²	87	38.6 Å²	38.6	33%	0.328	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	35.6	-174	-61.2	169.6	66.1	101.1	-2.6	113.6	E607 L641 V642 T643 S867 F868 D869	E607-R645 IonicContact OE1-CZ 3.98Å; E607-R645 IonicContact OE1-NE 3.69Å; E607-R645 IonicContact OE1-NH1 3.57Å; E607-R645 PolarHBondContact OE1-NH1 2.92Å; E607-R645 IonicContact OE2-CZ 3.62Å; E607-R645 IonicContact OE2-NH1 3.44Å; E607-R645 PolarHBondContact OE2-NH1 3.29Å; E607-R645 IonicContact OE2-NH2 2.88Å; E607-R645 PolarHBondContact OE2-NH2 2.86Å; L641-R645 PolarHBondContact O-N 2.95Å; V642-R645 PolarHBondContact O-N 3.49Å; V642-R645 VanDerWaalsContact O-N 3.13Å; T643-R645 VanDerWaalsContact C-N 3.33Å; R645-S867 CarbonylContact O-C 2.92Å; R645-S867 WeakPolarHBondContact O-CA 3.34Å; R645-F868 HydrophobicContact CB-CB 4.19Å; R645-F868 HydrophobicContact CB-CD1 4.47Å; R645-F868 HydrophobicContact CB-CD2 4.28Å; R645-F868 HydrophobicContact CB-CG 4.07Å; R645-F868 HydrophobicContact CG-CD2 4.44Å; R645-F868 VanDerWaalsContact O-CD1 3.31Å; R645-F868 WeakPolarHBondContact O-CD1 3.36Å; R645-F868 PolarHBondContact O-N 2.92Å; R645-D869 IonicContact CZ-OD1 2.67Å; R645-D869 IonicContact NE-OD1 3.69Å; R645-D869 IonicContact NH2-OD1 2.61Å; R645-D869 PolarHBondContact NH2-OD1 2.89Å
646	T	98.1	Very high	98	Very high	34 Å²	34	38 Å²	38	21%	0.209	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	155.9	-177.7	52.8	0	0	0	0	112.7	L641 N644 T866	L641-T646 CarbonylContact C-O 3.09Å; L641-T646 VanDerWaalsContact C-O 3.26Å; L641-T646 WeakPolarHBondContact CB-O 3.43Å; L641-T646 WeakPolarHBondContact CD2-OG1 3.46Å; L641-T646 PolarHBondContact O-N 3.33Å; L641-T646 VanDerWaalsContact O-O 3.06Å; L641-T646 PolarHBondContact O-OG1 2.98Å; L641-T646 VanDerWaalsContact O-OG1 3.04Å; N644-T646 VanDerWaalsContact C-N 3.26Å; N644-T646 PolarHBondContact O-N 3.4Å; T646-T866 WeakPolarHBondContact CA-O 3.49Å
647	V	98	Very high	98.1	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	149.6	175.5	-62.6	0	0	0	0	113.1	L651 A652 M655 P831 R865 T866 F868 M871	V647-L651 HydrophobicContact CB-CB 4.4Å; V647-L651 HydrophobicContact CB-CD2 4.4Å; V647-L651 HydrophobicContact CB-CG 4.41Å; V647-L651 HydrophobicContact CG1-CD2 4.01Å; V647-L651 HydrophobicContact CG1-CG 4.01Å; V647-A652 HydrophobicContact CB-CB 4.3Å; V647-A652 HydrophobicContact CG2-CB 4.14Å; V647-M655 HydrophobicContact CG1-CE 3.91Å; V647-M655 HydrophobicContact CG1-SD 3.61Å; V647-P831 HydrophobicContact CG2-CB 3.93Å; V647-R865 VanDerWaalsContact O-CA 3.29Å; V647-R865 WeakPolarHBondContact O-CA 3.49Å; V647-R865 WeakPolarHBondContact O-CB 3.37Å; V647-T866 HydrophobicContact CG2-CG2 4.04Å; V647-T866 PolarHBondContact N-O 2.64Å; V647-T866 PolarHBondContact O-N 2.99Å; V647-F868 HydrophobicContact CG1-CD1 4.09Å; V647-F868 HydrophobicContact CG1-CE1 3.73Å; V647-M871 HydrophobicContact CG1-CE 4.43Å; V647-M871 HydrophobicContact CG1-SD 4.38Å; V647-M871 HydrophobicContact CG2-SD 3.75Å
648	D	97.8	Very high	98.2	Very high	33 Å²	33	28.7 Å²	28.7	18%	0.176	14%	0.139	C	C	.	.			trans	-103	178.4	159.5	66.2	24.7	0	0	0	110	L641 A650 L651 A652	L641-D648 HydrophobicContact CD1-CB 4.09Å; L641-D648 WeakPolarHBondContact CD1-OD2 3.35Å; D648-A650 VanDerWaalsContact C-N 3.33Å; D648-A650 PolarHBondContact O-N 3.23Å; D648-A650 PolarHBondContact OD1-N 3.43Å; D648-A650 VanDerWaalsContact OD1-N 3.1Å; D648-L651 PolarHBondContact O-N 3.49Å; D648-L651 WeakPolarHBondContact OD1-CB 3.38Å; D648-L651 PolarHBondContact OD1-N 3.06Å; D648-A652 VanDerWaalsContact O-CB 3.3Å; D648-A652 WeakPolarHBondContact O-CB 3.23Å; D648-A652 PolarHBondContact O-N 3.26Å
649	W	98.3	Very high	98.2	Very high	4 Å²	4	28.4 Å²	28.4	2%	0.015	14%	0.138	C	C	.	.	H	α-helix	trans	-56.9	-42.9	-180	-93.6	-95.2	0	0	0	113.7	L651 A652 E653 S829 P831 F834 P855 L858 L859 A864	W649-L651 VanDerWaalsContact C-N 3.34Å; W649-A652 PolarHBondContact O-N 3.09Å; W649-E653 VanDerWaalsContact O-CB 3.27Å; W649-E653 WeakPolarHBondContact O-CB 3.3Å; W649-E653 PolarHBondContact O-N 2.98Å; W649-S829 VanDerWaalsContact CH2-O 3.26Å; W649-S829 WeakPolarHBondContact CH2-O 3.41Å; W649-P831 HydrophobicContact CD2-CB 4.47Å; W649-P831 HydrophobicContact CD2-CG 4Å; W649-P831 HydrophobicContact CE3-CG 3.69Å; W649-P831 HydrophobicContact CH2-CG 4.14Å; W649-P831 HydrophobicContact CZ2-CG 4.46Å; W649-P831 HydrophobicContact CZ3-CG 3.74Å; W649-F834 AromaticContact CD1-CD1 3.63Å; W649-P855 HydrophobicContact CD2-CG 3.97Å; W649-P855 HydrophobicContact CG-CG 4.17Å; W649-P855 HydrophobicContact CZ2-CG 4.1Å; W649-L858 HydrophobicContact CE3-CB 4.11Å; W649-L858 VanDerWaalsContact CE3-O 3.28Å; W649-L858 HydrophobicContact CH2-CB 3.56Å; W649-L858 HydrophobicContact CH2-CD1 3.79Å; W649-L858 HydrophobicContact CH2-CG 4.32Å; W649-L858 HydrophobicContact CZ2-CB 4.12Å; W649-L858 HydrophobicContact CZ2-CD1 3.99Å; W649-L858 HydrophobicContact CZ3-CB 3.56Å; W649-L858 VanDerWaalsContact CZ3-O 3.23Å; W649-L858 WeakPolarHBondContact CZ3-O 3.45Å; W649-L859 HydrophobicContact CB-CD2 3.65Å; W649-L859 HydrophobicContact CG-CD2 3.97Å; W649-A864 HydrophobicContact CH2-CB 3.77Å; W649-A864 HydrophobicContact CZ3-CB 3.43Å; W649-A864 VanDerWaalsContact CZ3-CB 3.43Å; W649-A864 VanDerWaalsContact CZ3-O 3.29Å; W649-A864 WeakPolarHBondContact CZ3-O 3.42Å
650	A	97.4	Very high	98.3	Very high	5 Å²	5	22.2 Å²	22.2	4%	0.041	12%	0.115	C	C	.	.	H	α-helix	trans	-68.2	-39.1	-176.2	0	0	0	0	0	110.8	D648 Y654 H681	D648-A650 VanDerWaalsContact C-N 3.33Å; D648-A650 PolarHBondContact O-N 3.23Å; D648-A650 PolarHBondContact OD1-N 3.43Å; D648-A650 VanDerWaalsContact OD1-N 3.1Å; A650-Y654 VanDerWaalsContact O-CB 3.32Å; A650-Y654 WeakPolarHBondContact O-CB 3.28Å; A650-Y654 PolarHBondContact O-N 3.33Å; A650-H681 VanDerWaalsContact CB-O 3.28Å; A650-H681 WeakPolarHBondContact CB-O 3.37Å
651	L	98.3	Very high	98.3	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-72.7	-37.5	177.2	-174.2	58	0	0	0	112.3	A617 L641 V642 V647 D648 W649 Y654 M655	A617-L651 HydrophobicContact CB-CD1 4.11Å; L641-L651 HydrophobicContact CB-CD2 4.02Å; V642-L651 HydrophobicContact CG2-CD1 4.16Å; V642-L651 HydrophobicContact CG2-CD2 3.62Å; V642-L651 HydrophobicContact CG2-CG 4.5Å; V647-L651 HydrophobicContact CB-CB 4.4Å; V647-L651 HydrophobicContact CB-CD2 4.4Å; V647-L651 HydrophobicContact CB-CG 4.41Å; V647-L651 HydrophobicContact CG1-CD2 4.01Å; V647-L651 HydrophobicContact CG1-CG 4.01Å; D648-L651 PolarHBondContact O-N 3.49Å; D648-L651 WeakPolarHBondContact OD1-CB 3.38Å; D648-L651 PolarHBondContact OD1-N 3.06Å; W649-L651 VanDerWaalsContact C-N 3.34Å; L651-Y654 PolarHBondContact O-N 3.26Å; L651-M655 HydrophobicContact CD1-CE 3.91Å; L651-M655 HydrophobicContact CD2-CE 4.17Å; L651-M655 HydrophobicContact CG-CE 3.82Å; L651-M655 HydrophobicContact CG-SD 4.42Å; L651-M655 WeakPolarHBondContact O-CB 3.42Å; L651-M655 VanDerWaalsContact O-CG 3.27Å; L651-M655 WeakPolarHBondContact O-CG 3.38Å; L651-M655 PolarHBondContact O-N 2.96Å
652	A	98.6	Very high	98.2	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-66.5	-42.4	175.3	0	0	0	0	0	112.3	V647 D648 W649 M655 A656 P831 F835	V647-A652 HydrophobicContact CB-CB 4.3Å; V647-A652 HydrophobicContact CG2-CB 4.14Å; D648-A652 VanDerWaalsContact O-CB 3.3Å; D648-A652 WeakPolarHBondContact O-CB 3.23Å; D648-A652 PolarHBondContact O-N 3.26Å; W649-A652 PolarHBondContact O-N 3.09Å; A652-M655 PolarHBondContact O-N 2.92Å; A652-A656 PolarHBondContact O-N 3.07Å; A652-P831 HydrophobicContact CB-CB 3.61Å; A652-P831 WeakPolarHBondContact CB-O 3.19Å; A652-F835 HydrophobicContact CB-CB 4.15Å
653	E	98.7	Very high	98.2	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.009	13%	0.134	C	C	.	.	H	α-helix	trans	-59	-48	171.7	-168.2	-162.4	87.1	0	0	110.9	W649 M655 A656 F657 H681 R682 H684 F834 L838	W649-E653 VanDerWaalsContact O-CB 3.27Å; W649-E653 WeakPolarHBondContact O-CB 3.3Å; W649-E653 PolarHBondContact O-N 2.98Å; E653-M655 VanDerWaalsContact C-N 3.31Å; E653-M655 PolarHBondContact O-N 3.15Å; E653-A656 PolarHBondContact O-N 2.69Å; E653-A656 VanDerWaalsContact O-N 3.17Å; E653-F657 HydrophobicContact CG-CD2 4.28Å; E653-F657 HydrophobicContact CG-CE1 4.07Å; E653-F657 HydrophobicContact CG-CE2 3.65Å; E653-F657 HydrophobicContact CG-CZ 3.53Å; E653-F657 WeakPolarHBondContact O-CG 3.2Å; E653-F657 PolarHBondContact O-N 3.22Å; E653-H681 IonicContact OE2-NE2 3.64Å; E653-R682 VanDerWaalsContact CD-NE 3.3Å; E653-R682 VanDerWaalsContact OE1-CD 3.24Å; E653-R682 WeakPolarHBondContact OE1-CD 3.49Å; E653-R682 IonicContact OE1-CZ 3.88Å; E653-R682 IonicContact OE1-NE 2.78Å; E653-R682 PolarHBondContact OE1-NE 2.95Å; E653-R682 IonicContact OE1-NH2 2.85Å; E653-R682 IonicContact OE2-CZ 3.09Å; E653-R682 IonicContact OE2-NE 3.36Å; E653-R682 PolarHBondContact OE2-NE 2.91Å; E653-R682 VanDerWaalsContact OE2-NE 3.1Å; E653-R682 IonicContact OE2-NH2 4Å; E653-R682 PolarHBondContact OE2-NH2 3.04Å; E653-H684 IonicContact OE1-CE1 3.74Å; E653-H684 PolarHBondContact OE1-CE1 2.83Å; E653-H684 IonicContact OE1-ND1 3.94Å; E653-H684 IonicContact OE1-NE2 2.71Å; E653-F834 HydrophobicContact CB-CD1 4.45Å; E653-F834 HydrophobicContact CB-CE1 3.89Å; E653-F834 HydrophobicContact CG-CE1 3.91Å; E653-F834 HydrophobicContact CG-CZ 4.42Å; E653-L838 HydrophobicContact CG-CD1 4.31Å
654	Y	98.6	Very high	98.1	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.008	13%	0.13	C	C	.	.	H	α-helix	trans	-59.6	-40.3	177.6	-155.2	-59.9	0	0	0	111.8	I613 A617 A650 L651 G658 H684 P698 M699 L702	I613-Y654 HydrophobicContact CG2-CD1 3.5Å; I613-Y654 HydrophobicContact CG2-CE1 3.96Å; A617-Y654 HydrophobicContact CB-CD1 3.59Å; A617-Y654 HydrophobicContact CB-CD2 3.62Å; A617-Y654 HydrophobicContact CB-CE1 3.62Å; A617-Y654 HydrophobicContact CB-CE2 3.64Å; A617-Y654 HydrophobicContact CB-CG 3.61Å; A650-Y654 VanDerWaalsContact O-CB 3.32Å; A650-Y654 WeakPolarHBondContact O-CB 3.28Å; A650-Y654 PolarHBondContact O-N 3.33Å; L651-Y654 PolarHBondContact O-N 3.26Å; Y654-G658 WeakPolarHBondContact O-CA 3.28Å; Y654-G658 PolarHBondContact O-N 3.45Å; Y654-H684 AromaticContact CD2-CD2 3.47Å; Y654-H684 VanDerWaalsContact CD2-CD2 3.47Å; Y654-H684 WeakPolarHBondContact CD2-CD2 3.49Å; Y654-H684 AromaticContact CD2-NE2 3.2Å; Y654-H684 WeakPolarHBondContact CD2-NE2 3.18Å; Y654-H684 AromaticContact CE2-CD2 3.69Å; Y654-H684 AromaticContact CE2-NE2 3.9Å; Y654-H684 AromaticContact CG-NE2 3.93Å; Y654-P698 WeakPolarHBondContact OH-CB 3.35Å; Y654-M699 HydrophobicContact CD1-CE 3.47Å; Y654-M699 VanDerWaalsContact CD1-CE 3.47Å; Y654-M699 HydrophobicContact CD2-CE 3.66Å; Y654-M699 HydrophobicContact CE1-CB 4.16Å; Y654-M699 HydrophobicContact CE1-CE 3.64Å; Y654-M699 HydrophobicContact CE1-CG 4.1Å; Y654-M699 HydrophobicContact CE2-CE 3.83Å; Y654-M699 HydrophobicContact CG-CE 3.47Å; Y654-M699 VanDerWaalsContact CG-CE 3.47Å; Y654-M699 WeakPolarHBondContact OH-CA 3.35Å; Y654-M699 PolarHBondContact OH-N 3.19Å; Y654-L702 HydrophobicContact CE1-CD2 4.39Å
655	M	98.8	Very high	98.1	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-66.8	-39.6	175.7	-73.5	173.5	178	0	0	112.6	L610 I613 V642 V647 L651 A652 E653 S659 F835 F868 M871	L610-M655 HydrophobicContact CB-CE 4.31Å; L610-M655 HydrophobicContact CB-SD 4.28Å; L610-M655 HydrophobicContact CD2-CB 4.24Å; L610-M655 HydrophobicContact CD2-CG 4.27Å; L610-M655 HydrophobicContact CD2-SD 3.84Å; L610-M655 WeakPolarHBondContact O-CE 3.49Å; I613-M655 HydrophobicContact CB-CG 4.44Å; I613-M655 HydrophobicContact CG2-CG 4.21Å; V642-M655 HydrophobicContact CG2-CE 4.44Å; V647-M655 HydrophobicContact CG1-CE 3.91Å; V647-M655 HydrophobicContact CG1-SD 3.61Å; L651-M655 HydrophobicContact CD1-CE 3.91Å; L651-M655 HydrophobicContact CD2-CE 4.17Å; L651-M655 HydrophobicContact CG-CE 3.82Å; L651-M655 HydrophobicContact CG-SD 4.42Å; L651-M655 WeakPolarHBondContact O-CB 3.42Å; L651-M655 VanDerWaalsContact O-CG 3.27Å; L651-M655 WeakPolarHBondContact O-CG 3.38Å; L651-M655 PolarHBondContact O-N 2.96Å; A652-M655 PolarHBondContact O-N 2.92Å; E653-M655 VanDerWaalsContact C-N 3.31Å; E653-M655 PolarHBondContact O-N 3.15Å; M655-S659 WeakPolarHBondContact O-CB 3.36Å; M655-S659 PolarHBondContact O-N 2.83Å; M655-S659 VanDerWaalsContact O-N 3.09Å; M655-S659 PolarHBondContact O-OG 3.46Å; M655-F835 HydrophobicContact CB-CD2 3.99Å; M655-F835 HydrophobicContact CB-CE2 4.02Å; M655-F868 HydrophobicContact CE-CE1 3.89Å; M655-F868 HydrophobicContact CE-CZ 3.77Å; M655-M871 HydrophobicContact CB-CE 4.4Å; M655-M871 HydrophobicContact SD-CE 3.79Å
656	A	98.8	Very high	98.1	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-66.3	-45.7	177.3	0	0	0	0	0	111.8	A652 E653 S659 L660 F835 L838 R839	A652-A656 PolarHBondContact O-N 3.07Å; E653-A656 PolarHBondContact O-N 2.69Å; E653-A656 VanDerWaalsContact O-N 3.17Å; A656-S659 PolarHBondContact O-OG 3.11Å; A656-L660 WeakPolarHBondContact O-CD1 3.34Å; A656-L660 VanDerWaalsContact O-CG 3.29Å; A656-L660 WeakPolarHBondContact O-CG 3.36Å; A656-L660 PolarHBondContact O-N 3.02Å; A656-F835 HydrophobicContact CB-CB 4.49Å; A656-F835 HydrophobicContact CB-CD2 3.71Å; A656-F835 HydrophobicContact CB-CE2 4.36Å; A656-F835 HydrophobicContact CB-CG 4.38Å; A656-L838 HydrophobicContact CB-CB 3.94Å; A656-L838 HydrophobicContact CB-CD1 3.99Å; A656-R839 HydrophobicContact CB-CG 4.23Å
657	F	98.8	Very high	98.1	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-66.6	-49.2	175.7	-62.3	-9.6	0	0	0	110.7	E653 S659 L660 L661 V667 L669 M699 Y709 L736 L738 L838	E653-F657 HydrophobicContact CG-CD2 4.28Å; E653-F657 HydrophobicContact CG-CE1 4.07Å; E653-F657 HydrophobicContact CG-CE2 3.65Å; E653-F657 HydrophobicContact CG-CZ 3.53Å; E653-F657 WeakPolarHBondContact O-CG 3.2Å; E653-F657 PolarHBondContact O-N 3.22Å; F657-S659 VanDerWaalsContact C-N 3.29Å; F657-S659 PolarHBondContact O-N 3.21Å; F657-L660 PolarHBondContact O-N 2.88Å; F657-L661 VanDerWaalsContact O-CG 3.22Å; F657-L661 WeakPolarHBondContact O-CG 3.49Å; F657-L661 PolarHBondContact O-N 3.5Å; F657-V667 HydrophobicContact CB-CG1 4.21Å; F657-V667 HydrophobicContact CB-CG2 4.47Å; F657-V667 HydrophobicContact CD1-CG1 3.87Å; F657-V667 HydrophobicContact CD2-CG1 4.2Å; F657-V667 HydrophobicContact CE1-CG1 4.28Å; F657-V667 HydrophobicContact CG-CG1 3.83Å; F657-L669 HydrophobicContact CE2-CD2 4.3Å; F657-M699 HydrophobicContact CB-CE 3.95Å; F657-M699 HydrophobicContact CB-SD 3.68Å; F657-M699 HydrophobicContact CD2-CE 4.04Å; F657-M699 HydrophobicContact CD2-SD 4.14Å; F657-M699 HydrophobicContact CG-SD 4.45Å; F657-Y709 AromaticContact CD2-CE2 3.91Å; F657-Y709 HydrophobicContact CD2-CE2 3.91Å; F657-Y709 HydrophobicContact CE2-CE2 4.4Å; F657-L736 HydrophobicContact CD1-CD2 3.92Å; F657-L736 HydrophobicContact CE1-CD2 3.88Å; F657-L738 HydrophobicContact CE1-CD1 3.88Å; F657-L738 HydrophobicContact CE1-CD2 3.85Å; F657-L738 HydrophobicContact CZ-CD1 3.89Å; F657-L738 HydrophobicContact CZ-CD2 3.84Å; F657-L838 HydrophobicContact CE1-CD1 3.95Å; F657-L838 HydrophobicContact CE1-CD2 4.46Å
658	G	98.5	Very high	98.1	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-56.8	-37.3	-177.5	0	0	0	0	0	114.2	Y654 K662 L702 W703	Y654-G658 WeakPolarHBondContact O-CA 3.28Å; Y654-G658 PolarHBondContact O-N 3.45Å; G658-K662 PolarHBondContact O-N 3.17Å; G658-L702 VanDerWaalsContact CA-CD1 3.49Å; G658-W703 WeakPolarHBondContact O-CZ3 3.29Å
659	S	98.5	Very high	98.2	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-76.5	-38.3	178	68	0	0	0	0	113	M655 A656 F657 L661 K662 E663 R839	M655-S659 WeakPolarHBondContact O-CB 3.36Å; M655-S659 PolarHBondContact O-N 2.83Å; M655-S659 VanDerWaalsContact O-N 3.09Å; M655-S659 PolarHBondContact O-OG 3.46Å; A656-S659 PolarHBondContact O-OG 3.11Å; F657-S659 VanDerWaalsContact C-N 3.29Å; F657-S659 PolarHBondContact O-N 3.21Å; S659-L661 VanDerWaalsContact C-N 3.27Å; S659-L661 PolarHBondContact O-N 3.08Å; S659-K662 WeakPolarHBondContact O-CA 3.31Å; S659-K662 VanDerWaalsContact O-CB 3.26Å; S659-K662 WeakPolarHBondContact O-CB 3.35Å; S659-K662 PolarHBondContact O-N 2.81Å; S659-K662 VanDerWaalsContact O-N 3.09Å; S659-E663 WeakPolarHBondContact O-CG 3.37Å; S659-E663 PolarHBondContact O-N 3.22Å; S659-R839 PolarHBondContact OG-NH1 3.07Å
660	L	98.5	Very high	98.2	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-60.8	-39.5	172.9	-70.8	171.2	0	0	0	110.9	A656 F657 K662 E663 G664 I665 V667 L736 R839 I842	A656-L660 WeakPolarHBondContact O-CD1 3.34Å; A656-L660 VanDerWaalsContact O-CG 3.29Å; A656-L660 WeakPolarHBondContact O-CG 3.36Å; A656-L660 PolarHBondContact O-N 3.02Å; F657-L660 PolarHBondContact O-N 2.88Å; L660-K662 VanDerWaalsContact C-N 3.31Å; L660-K662 PolarHBondContact O-N 3.15Å; L660-E663 CarbonylContact O-C 3.58Å; L660-E663 WeakPolarHBondContact O-CA 3.29Å; L660-E663 WeakPolarHBondContact O-CB 3.17Å; L660-E663 PolarHBondContact O-N 3.14Å; L660-E663 VanDerWaalsContact O-N 3.07Å; L660-G664 PolarHBondContact O-N 2.98Å; L660-I665 HydrophobicContact CB-CB 4.07Å; L660-I665 HydrophobicContact CB-CG2 4.3Å; L660-I665 HydrophobicContact CD2-CG1 4.34Å; L660-I665 VanDerWaalsContact O-CB 3.31Å; L660-I665 WeakPolarHBondContact O-CB 3.39Å; L660-I665 PolarHBondContact O-N 2.99Å; L660-V667 HydrophobicContact CB-CG2 4.06Å; L660-L736 HydrophobicContact CD1-CB 4.37Å; L660-L736 HydrophobicContact CD1-CD2 3.71Å; L660-R839 HydrophobicContact CD1-CG 4.47Å; L660-R839 HydrophobicContact CG-CG 4.34Å; L660-I842 HydrophobicContact CD1-CG1 4.09Å; L660-I842 HydrophobicContact CD2-CB 3.86Å; L660-I842 HydrophobicContact CD2-CG1 3.96Å; L660-I842 HydrophobicContact CD2-CG2 4.07Å
661	L	98.5	Very high	98.3	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-63.5	-34.6	174.1	-62	162.8	0	0	0	112.4	F657 S659 E663 G664 V667 M699 L702 Q706 A707 P708 Y709	F657-L661 VanDerWaalsContact O-CG 3.22Å; F657-L661 WeakPolarHBondContact O-CG 3.49Å; F657-L661 PolarHBondContact O-N 3.5Å; S659-L661 VanDerWaalsContact C-N 3.27Å; S659-L661 PolarHBondContact O-N 3.08Å; L661-E663 VanDerWaalsContact C-N 3.33Å; L661-G664 PolarHBondContact O-N 3.45Å; L661-V667 HydrophobicContact CD2-CB 4.11Å; L661-V667 HydrophobicContact CD2-CG2 4.01Å; L661-V667 HydrophobicContact CG-CG2 4.08Å; L661-M699 HydrophobicContact CD1-CG 3.54Å; L661-M699 HydrophobicContact CD1-SD 3.78Å; L661-L702 HydrophobicContact CD1-CD1 4.41Å; L661-Q706 HydrophobicContact CB-CB 4.45Å; L661-Q706 WeakPolarHBondContact O-CA 3.44Å; L661-A707 HydrophobicContact CD2-CB 4.25Å; L661-A707 WeakPolarHBondContact CD2-O 3.41Å; L661-A707 PolarHBondContact O-N 2.65Å; L661-P708 WeakPolarHBondContact CD2-O 3.04Å; L661-Y709 HydrophobicContact CD1-CD2 4.42Å; L661-Y709 HydrophobicContact CD1-CG 4.33Å
662	K	97.4	Very high	98.3	Very high	99 Å²	99	13.6 Å²	13.6	43%	0.43	8%	0.076	S	C	.	.	H	α-helix	trans	-66.1	-35	171.5	-165.3	-165.9	178.9	-172.3	0	112.2	V609 G658 S659 L660 G664 W703	V609-K662 HydrophobicContact CG1-CD 4.23Å; G658-K662 PolarHBondContact O-N 3.17Å; S659-K662 WeakPolarHBondContact O-CA 3.31Å; S659-K662 VanDerWaalsContact O-CB 3.26Å; S659-K662 WeakPolarHBondContact O-CB 3.35Å; S659-K662 PolarHBondContact O-N 2.81Å; S659-K662 VanDerWaalsContact O-N 3.09Å; L660-K662 VanDerWaalsContact C-N 3.31Å; L660-K662 PolarHBondContact O-N 3.15Å; K662-G664 PolarHBondContact O-N 2.84Å; K662-W703 HydrophobicContact CB-CD2 4.47Å; K662-W703 HydrophobicContact CB-CE3 3.76Å; K662-W703 HydrophobicContact CB-CH2 4.12Å; K662-W703 HydrophobicContact CB-CZ3 3.58Å; K662-W703 HydrophobicContact CD-CD2 4.47Å; K662-W703 HydrophobicContact CD-CE3 4.39Å; K662-W703 HydrophobicContact CD-CH2 3.75Å; K662-W703 HydrophobicContact CD-CZ2 3.79Å; K662-W703 HydrophobicContact CD-CZ3 4.08Å; K662-W703 HydrophobicContact CG-CD2 4Å; K662-W703 HydrophobicContact CG-CE3 3.79Å; K662-W703 HydrophobicContact CG-CH2 4.05Å; K662-W703 HydrophobicContact CG-CZ2 4.21Å; K662-W703 HydrophobicContact CG-CZ3 3.84Å
663	E	96.3	Very high	98.2	Very high	84 Å²	84	16.1 Å²	16.1	39%	0.393	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	1.7	178.9	-69.9	158.8	-157.4	0	0	113.1	S659 L660 L661 I665 R839	S659-E663 WeakPolarHBondContact O-CG 3.37Å; S659-E663 PolarHBondContact O-N 3.22Å; L660-E663 CarbonylContact O-C 3.58Å; L660-E663 WeakPolarHBondContact O-CA 3.29Å; L660-E663 WeakPolarHBondContact O-CB 3.17Å; L660-E663 PolarHBondContact O-N 3.14Å; L660-E663 VanDerWaalsContact O-N 3.07Å; L661-E663 VanDerWaalsContact C-N 3.33Å; E663-I665 HydrophobicContact CB-CG1 4.24Å; E663-R839 VanDerWaalsContact CD-NH1 3.3Å; E663-R839 IonicContact OE1-CZ 3.57Å; E663-R839 VanDerWaalsContact OE1-CZ 3.24Å; E663-R839 IonicContact OE1-NH1 2.72Å; E663-R839 PolarHBondContact OE1-NH1 3.4Å; E663-R839 IonicContact OE1-NH2 3.84Å; E663-R839 PolarHBondContact OE1-NH2 3.24Å; E663-R839 IonicContact OE2-CZ 3.29Å; E663-R839 IonicContact OE2-NH1 2.74Å; E663-R839 PolarHBondContact OE2-NH1 3.35Å; E663-R839 IonicContact OE2-NH2 3.54Å
664	G	96.3	Very high	98.2	Very high	51 Å²	51	16 Å²	16	53%	0.526	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	84	10.8	179.5	0	0	0	0	0	114.4	L660 L661 K662	L660-G664 PolarHBondContact O-N 2.98Å; L661-G664 PolarHBondContact O-N 3.45Å; K662-G664 PolarHBondContact O-N 2.84Å
665	I	97.8	Very high	98.2	Very high	20 Å²	20	17.6 Å²	17.6	10%	0.103	10%	0.096	C	C	.	.			trans	-90.2	124.2	-178.4	-53.9	-64.1	0	0	0	109.5	L660 E663 V667 A707 N734 I842	L660-I665 HydrophobicContact CB-CB 4.07Å; L660-I665 HydrophobicContact CB-CG2 4.3Å; L660-I665 HydrophobicContact CD2-CG1 4.34Å; L660-I665 VanDerWaalsContact O-CB 3.31Å; L660-I665 WeakPolarHBondContact O-CB 3.39Å; L660-I665 PolarHBondContact O-N 2.99Å; E663-I665 HydrophobicContact CB-CG1 4.24Å; I665-V667 PolarHBondContact O-N 3.2Å; I665-A707 WeakPolarHBondContact O-CB 3.48Å; I665-N734 HydrophobicContact CD1-CB 4.06Å; I665-I842 HydrophobicContact CD1-CG2 3.74Å; I665-I842 HydrophobicContact CG1-CG2 3.86Å; I665-I842 HydrophobicContact CG2-CD1 4.18Å; I665-I842 HydrophobicContact CG2-CG1 4.14Å; I665-I842 HydrophobicContact CG2-CG2 3.98Å
666	H	97.9	Very high	98.2	Very high	7 Å²	7	22.1 Å²	22.1	3%	0.032	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	131.8	173.1	173.2	-150.2	0	0	0	110.1	F389 Y390 P708 F728 A735 L736	F389-H666 AromaticContact CD1-CE1 3.78Å; F389-H666 AromaticContact CD1-ND1 3.91Å; F389-H666 AromaticContact CD1-NE2 3.84Å; F389-H666 HydrophobicContact CE1-CB 4.37Å; F389-H666 AromaticContact CE1-CE1 3.42Å; F389-H666 VanDerWaalsContact CE1-CE1 3.42Å; F389-H666 WeakPolarHBondContact CE1-CE1 3.1Å; F389-H666 AromaticContact CE1-CG 3.69Å; F389-H666 AromaticContact CE1-ND1 3.29Å; F389-H666 VanDerWaalsContact CE1-ND1 3.29Å; F389-H666 WeakPolarHBondContact CE1-ND1 3.5Å; F389-H666 AromaticContact CE1-NE2 3.71Å; F389-H666 AromaticContact CZ-CD2 3.77Å; F389-H666 AromaticContact CZ-CG 3.9Å; F389-H666 AromaticContact CZ-ND1 3.75Å; F389-H666 AromaticContact CZ-NE2 3.83Å; Y390-H666 HydrophobicContact CE1-CB 4.33Å; Y390-H666 AromaticContact CE1-CE1 3.08Å; Y390-H666 WeakPolarHBondContact CE1-CE1 3.33Å; Y390-H666 AromaticContact CE1-ND1 3.87Å; Y390-H666 AromaticContact CE2-CE1 3.97Å; Y390-H666 AromaticContact CZ-CE1 2.79Å; Y390-H666 AromaticContact CZ-ND1 3.76Å; Y390-H666 PolarHBondContact OH-CE1 2.72Å; Y390-H666 PolarHBondContact OH-ND1 3.23Å; H666-P708 PolarHBondContact CD2-O 2.84Å; H666-P708 VanDerWaalsContact CD2-O 3.31Å; H666-F728 AromaticContact CE1-CE1 3.53Å; H666-F728 AromaticContact ND1-CE1 3.89Å; H666-F728 AromaticContact NE2-CE1 2.77Å; H666-F728 WeakPolarHBondContact NE2-CE1 3.13Å; H666-F728 AromaticContact NE2-CE2 3.9Å; H666-F728 AromaticContact NE2-CZ 2.68Å; H666-F728 WeakPolarHBondContact NE2-CZ 3.44Å; H666-A735 HydrophobicContact CB-CB 4.12Å; H666-A735 CarbonylContact O-C 3.58Å; H666-A735 WeakPolarHBondContact O-CA 3.21Å; H666-L736 PolarHBondContact O-N 2.98Å
667	V	98.7	Very high	98.2	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	124.1	170.9	-178	0	0	0	0	109.1	F657 L660 L661 I665 Y709 T710 L736 L738	F657-V667 HydrophobicContact CB-CG1 4.21Å; F657-V667 HydrophobicContact CB-CG2 4.47Å; F657-V667 HydrophobicContact CD1-CG1 3.87Å; F657-V667 HydrophobicContact CD2-CG1 4.2Å; F657-V667 HydrophobicContact CE1-CG1 4.28Å; F657-V667 HydrophobicContact CG-CG1 3.83Å; L660-V667 HydrophobicContact CB-CG2 4.06Å; L661-V667 HydrophobicContact CD2-CB 4.11Å; L661-V667 HydrophobicContact CD2-CG2 4.01Å; L661-V667 HydrophobicContact CG-CG2 4.08Å; I665-V667 PolarHBondContact O-N 3.2Å; V667-Y709 HydrophobicContact CB-CD2 3.98Å; V667-Y709 HydrophobicContact CB-CE2 4.46Å; V667-Y709 HydrophobicContact CG1-CD2 4.01Å; V667-Y709 HydrophobicContact CG1-CE2 3.99Å; V667-T710 PolarHBondContact O-N 2.79Å; V667-L736 WeakPolarHBondContact CA-O 3.45Å; V667-L736 HydrophobicContact CG1-CB 4.4Å; V667-L736 HydrophobicContact CG1-CD2 4.35Å; V667-L736 HydrophobicContact CG2-CB 4.2Å; V667-L738 HydrophobicContact CG1-CD1 3.89Å
668	R	98.5	Very high	98.1	Very high	6 Å²	6	23.1 Å²	23.1	2%	0.023	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	118.3	175.2	177	171.1	166.7	108.1	2.2	110.3	S427 T710 E725 L736 V737 L738	S427-R668 PolarHBondContact O-NH1 3.27Å; S427-R668 PolarHBondContact O-NH2 3.16Å; R668-T710 CarbonylContact C-O 3.52Å; R668-T710 VanDerWaalsContact CA-O 3.26Å; R668-T710 WeakPolarHBondContact CA-O 3.47Å; R668-T710 HydrophobicContact CG-CG2 4.08Å; R668-E725 WeakPolarHBondContact CD-OE2 3.2Å; R668-E725 IonicContact CZ-OE1 3.18Å; R668-E725 IonicContact CZ-OE2 2.7Å; R668-E725 IonicContact NE-OE1 2.73Å; R668-E725 PolarHBondContact NE-OE1 3.02Å; R668-E725 IonicContact NE-OE2 2.71Å; R668-E725 PolarHBondContact NE-OE2 2.66Å; R668-E725 IonicContact NH2-OE1 2.74Å; R668-E725 PolarHBondContact NH2-OE1 2.74Å; R668-E725 IonicContact NH2-OE2 2.8Å; R668-L736 PolarHBondContact N-O 2.81Å; R668-V737 WeakPolarHBondContact O-CA 3.44Å; R668-L738 WeakPolarHBondContact O-CD1 3.23Å; R668-L738 PolarHBondContact O-N 2.88Å
669	L	98.9	Very high	98.1	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	124	173.2	174.6	63.2	0	0	0	110.3	F657 V674 T710 V711 C712 L738 E740 L774	F657-L669 HydrophobicContact CE2-CD2 4.3Å; L669-V674 HydrophobicContact CD2-CB 4.22Å; L669-V674 HydrophobicContact CG-CB 4.09Å; L669-V674 HydrophobicContact CG-CG2 4.24Å; L669-T710 PolarHBondContact N-O 3.48Å; L669-V711 HydrophobicContact CB-CG2 4.24Å; L669-V711 HydrophobicContact CD2-CG2 4.14Å; L669-V711 HydrophobicContact CG-CG2 4.29Å; L669-V711 WeakPolarHBondContact O-CA 3.29Å; L669-C712 PolarHBondContact O-N 3.16Å; L669-C712 VanDerWaalsContact O-N 3.12Å; L669-L738 HydrophobicContact CD1-CB 3.82Å; L669-E740 HydrophobicContact CD1-CB 4.37Å; L669-L774 HydrophobicContact CD1-CD1 4.3Å
670	S	98.7	Very high	98	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	149.2	-173.6	178.1	0	0	0	0	111.1	Y428 E725 L738 W739 E740	Y428-S670 PolarHBondContact OH-OG 2.92Å; S670-E725 WeakPolarHBondContact CB-OE1 3.37Å; S670-E725 VanDerWaalsContact OG-CD 3.23Å; S670-E725 PolarHBondContact OG-OE1 2.76Å; S670-L738 PolarHBondContact N-O 3.03Å; S670-W739 CarbonylContact O-C 3.2Å; S670-W739 WeakPolarHBondContact O-CA 3.24Å; S670-E740 PolarHBondContact O-N 2.99Å
671	G	98.6	Very high	98	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.01	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	141	-178	-179.7	0	0	0	0	0	113	V674 N713 S714	G671-V674 WeakPolarHBondContact O-CG2 3.2Å; G671-N713 CarbonylContact O-C 3.54Å; G671-N713 WeakPolarHBondContact O-CA 3.18Å; G671-S714 PolarHBondContact O-N 3.33Å; G671-S714 PolarHBondContact O-OG 3.15Å
672	Q	98.6	Very high	97.9	Very high	14 Å²	14	27.7 Å²	27.7	7%	0.065	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	132.9	-175.1	-62.7	165.3	16.6	0	0	110.8	V674 S714 L716 E718 Q742	Q672-V674 PolarHBondContact O-N 3.09Å; Q672-S714 WeakPolarHBondContact CG-OG 3.25Å; Q672-S714 PolarHBondContact N-OG 2.78Å; Q672-L716 HydrophobicContact CG-CD1 4.3Å; Q672-E718 PolarHBondContact NE2-OE1 3.06Å; Q672-Q742 HydrophobicContact CB-CB 4.15Å; Q672-Q742 HydrophobicContact CB-CG 4.4Å
673	D	98	Very high	98	Very high	53 Å²	53	24.5 Å²	24.5	28%	0.283	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	7.5	-177.1	-68.4	-94.5	0	0	0	116.6	E675 R676 G677 N713 Q742	D673-E675 PolarHBondContact O-N 3.33Å; D673-R676 PolarHBondContact O-N 3.25Å; D673-R676 IonicContact OD1-CZ 2.71Å; D673-R676 IonicContact OD1-NH1 2.82Å; D673-R676 PolarHBondContact OD1-NH1 2.94Å; D673-R676 IonicContact OD1-NH2 2.84Å; D673-R676 PolarHBondContact OD1-NH2 3.15Å; D673-G677 WeakPolarHBondContact O-CA 3.44Å; D673-G677 PolarHBondContact O-N 3.47Å; D673-N713 WeakPolarHBondContact CA-OD1 2.99Å; D673-Q742 PolarHBondContact OD2-NE2 3.42Å
674	V	98.5	Very high	98	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-29.2	-166.8	-65.8	0	0	0	0	114.8	L669 G671 Q672 R676 G677 R682 V711 C712 N713 E740	L669-V674 HydrophobicContact CD2-CB 4.22Å; L669-V674 HydrophobicContact CG-CB 4.09Å; L669-V674 HydrophobicContact CG-CG2 4.24Å; G671-V674 WeakPolarHBondContact O-CG2 3.2Å; Q672-V674 PolarHBondContact O-N 3.09Å; V674-R676 VanDerWaalsContact C-N 3.26Å; V674-R676 PolarHBondContact O-N 3.46Å; V674-G677 PolarHBondContact O-N 2.66Å; V674-G677 VanDerWaalsContact O-N 3.15Å; V674-R682 WeakPolarHBondContact O-CD 3.47Å; V674-R682 PolarHBondContact O-NH1 3.42Å; V674-V711 HydrophobicContact CG2-CG2 4.04Å; V674-C712 WeakPolarHBondContact CG2-O 3.12Å; V674-N713 PolarHBondContact N-OD1 2.88Å; V674-N713 VanDerWaalsContact N-OD1 3.11Å; V674-E740 HydrophobicContact CG1-CB 3.77Å; V674-E740 HydrophobicContact CG1-CG 4.36Å
675	E	98.2	Very high	98.1	Very high	34 Å²	34	18.5 Å²	18.5	16%	0.159	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-38	177.9	-70.3	172.8	-152.4	0	0	112.6	D673 H683 H684 V685 V711 C712 N713	D673-E675 PolarHBondContact O-N 3.33Å; E675-H683 CarbonylContact O-C 3Å; E675-H683 WeakPolarHBondContact O-CA 3.21Å; E675-H684 PolarHBondContact O-N 3.37Å; E675-V685 HydrophobicContact CB-CB 3.99Å; E675-V685 HydrophobicContact CB-CG2 3.6Å; E675-V685 HydrophobicContact CG-CB 4.38Å; E675-V685 HydrophobicContact CG-CG2 3.53Å; E675-V685 PolarHBondContact O-N 3.45Å; E675-V711 HydrophobicContact CG-CG1 4.28Å; E675-V711 HydrophobicContact CG-CG2 3.87Å; E675-C712 WeakPolarHBondContact OE1-CA 3.36Å; E675-N713 WeakPolarHBondContact CB-OD1 3.33Å; E675-N713 WeakPolarHBondContact CG-OD1 3.37Å; E675-N713 PolarHBondContact N-OD1 3.28Å; E675-N713 VanDerWaalsContact N-OD1 3.15Å; E675-N713 VanDerWaalsContact OE1-CG 3.3Å; E675-N713 PolarHBondContact OE1-N 2.92Å; E675-N713 PolarHBondContact OE1-ND2 2.89Å; E675-N713 VanDerWaalsContact OE1-ND2 3.14Å; E675-N713 PolarHBondContact OE2-ND2 2.97Å
676	R	98.3	Very high	98.1	Very high	95 Å²	95	17.6 Å²	17.6	36%	0.358	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-32.1	171.5	-170	-164.8	71.2	-130.3	2.9	111.5	D673 V674 T678 R682 H683	D673-R676 PolarHBondContact O-N 3.25Å; D673-R676 IonicContact OD1-CZ 2.71Å; D673-R676 IonicContact OD1-NH1 2.82Å; D673-R676 PolarHBondContact OD1-NH1 2.94Å; D673-R676 IonicContact OD1-NH2 2.84Å; D673-R676 PolarHBondContact OD1-NH2 3.15Å; V674-R676 VanDerWaalsContact C-N 3.26Å; V674-R676 PolarHBondContact O-N 3.46Å; R676-T678 PolarHBondContact NH2-O 3.02Å; R676-R682 WeakPolarHBondContact O-CB 3.39Å; R676-R682 PolarHBondContact O-N 3.38Å; R676-H683 PolarHBondContact O-N 3.15Å; R676-H683 VanDerWaalsContact O-N 3.08Å
677	G	98	Very high	98.1	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.106	C	C	.	.			trans	76.4	139.4	-159.2	0	0	0	0	0	111.1	D673 V674 F679 S680 H681	D673-G677 WeakPolarHBondContact O-CA 3.44Å; D673-G677 PolarHBondContact O-N 3.47Å; V674-G677 PolarHBondContact O-N 2.66Å; V674-G677 VanDerWaalsContact O-N 3.15Å; G677-F679 VanDerWaalsContact C-N 3.26Å; G677-F679 PolarHBondContact O-N 3.48Å; G677-S680 PolarHBondContact O-N 2.88Å; G677-H681 WeakPolarHBondContact CA-CE1 3.27Å
678	T	98	Very high	98.1	Very high	22 Å²	22	22.5 Å²	22.5	14%	0.135	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-43.5	-54.8	176.6	-51.9	0	0	0	0	111.1	R676 S680 Q742 F743	R676-T678 PolarHBondContact NH2-O 3.02Å; T678-S680 PolarHBondContact O-N 2.9Å; T678-S680 VanDerWaalsContact O-N 3.16Å; T678-Q742 HydrophobicContact CG2-CG 3.72Å; T678-Q742 WeakPolarHBondContact CG2-O 3.47Å; T678-Q742 WeakPolarHBondContact OG1-CG 3.47Å; T678-Q742 PolarHBondContact OG1-O 3.29Å; T678-F743 HydrophobicContact CG2-CD2 4.35Å; T678-F743 HydrophobicContact CG2-CE2 3.84Å
679	F	97.7	Very high	98	Very high	37 Å²	37	26.9 Å²	26.9	16%	0.162	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	7.2	-174.7	-49.9	-74.6	0	0	0	114.1	G677 H681 F743 P776 K856 L859 R860	G677-F679 VanDerWaalsContact C-N 3.26Å; G677-F679 PolarHBondContact O-N 3.48Å; F679-H681 VanDerWaalsContact C-N 3.34Å; F679-H681 PolarHBondContact O-N 2.99Å; F679-F743 AromaticContact CE1-CE1 3.78Å; F679-F743 HydrophobicContact CE1-CE1 3.78Å; F679-F743 HydrophobicContact CE1-CE2 4.2Å; F679-F743 AromaticContact CE1-CZ 3.54Å; F679-F743 HydrophobicContact CE1-CZ 3.54Å; F679-F743 HydrophobicContact CZ-CD1 4.26Å; F679-F743 AromaticContact CZ-CE1 3.89Å; F679-F743 HydrophobicContact CZ-CE1 3.89Å; F679-F743 HydrophobicContact CZ-CE2 4.22Å; F679-F743 AromaticContact CZ-CZ 3.85Å; F679-F743 HydrophobicContact CZ-CZ 3.85Å; F679-P776 HydrophobicContact CE2-CB 3.69Å; F679-P776 HydrophobicContact CE2-CG 3.9Å; F679-P776 HydrophobicContact CZ-CB 3.84Å; F679-P776 HydrophobicContact CZ-CG 4.4Å; F679-K856 HydrophobicContact CE1-CB 4.15Å; F679-K856 HydrophobicContact CE1-CD 4.03Å; F679-K856 HydrophobicContact CE1-CG 3.87Å; F679-K856 HydrophobicContact CE2-CG 4.1Å; F679-K856 HydrophobicContact CZ-CB 4.34Å; F679-K856 HydrophobicContact CZ-CD 3.85Å; F679-K856 HydrophobicContact CZ-CG 3.6Å; F679-L859 HydrophobicContact CB-CD1 3.73Å; F679-L859 HydrophobicContact CD2-CD1 3.72Å; F679-L859 HydrophobicContact CG-CD1 3.85Å; F679-R860 PolarHBondContact O-NH1 3.16Å; F679-R860 PolarHBondContact O-NH2 2.92Å
680	S	97.3	Very high	97.9	Very high	39 Å²	39	32.8 Å²	32.8	27%	0.273	16%	0.161	S	C	.	.	S	Bend	trans	57.8	43.3	-178.6	-163	0	0	0	0	112.7	G677 T678 H683 R860	G677-S680 PolarHBondContact O-N 2.88Å; T678-S680 PolarHBondContact O-N 2.9Å; T678-S680 VanDerWaalsContact O-N 3.16Å; S680-H683 WeakPolarHBondContact CA-NE2 3.38Å; S680-H683 WeakPolarHBondContact CB-NE2 3.37Å; S680-H683 PolarHBondContact O-NE2 3.11Å; S680-H683 PolarHBondContact OG-CE1 2.83Å; S680-H683 PolarHBondContact OG-NE2 2.94Å; S680-R860 PolarHBondContact O-NH2 3.21Å
681	H	97.3	Very high	97.8	Very high	20 Å²	20	36.1 Å²	36.1	9%	0.093	18%	0.181	C	C	.	.			trans	-104.9	-34.3	-179.8	65.4	-66.6	0	0	0	113.2	R638 A650 E653 G677 F679 H683 E740 L859	R638-H681 PolarHBondContact NH2-O 2.91Å; A650-H681 VanDerWaalsContact CB-O 3.28Å; A650-H681 WeakPolarHBondContact CB-O 3.37Å; E653-H681 IonicContact OE2-NE2 3.64Å; G677-H681 WeakPolarHBondContact CA-CE1 3.27Å; F679-H681 VanDerWaalsContact C-N 3.34Å; F679-H681 PolarHBondContact O-N 2.99Å; H681-H683 PolarHBondContact N-NE2 3.45Å; H681-E740 IonicContact CE1-OE2 3.1Å; H681-L859 HydrophobicContact CB-CD1 4.31Å
682	R	97.8	Very high	97.6	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.213	C	C	.	.			trans	-85	-54.8	-164.9	-171.5	174.8	-65.3	114.1	-0.8	113.9	R638 E653 V674 R676 H684 E740	R638-R682 PolarHBondContact NH2-O 2.74Å; E653-R682 VanDerWaalsContact CD-NE 3.3Å; E653-R682 VanDerWaalsContact OE1-CD 3.24Å; E653-R682 WeakPolarHBondContact OE1-CD 3.49Å; E653-R682 IonicContact OE1-CZ 3.88Å; E653-R682 IonicContact OE1-NE 2.78Å; E653-R682 PolarHBondContact OE1-NE 2.95Å; E653-R682 IonicContact OE1-NH2 2.85Å; E653-R682 IonicContact OE2-CZ 3.09Å; E653-R682 IonicContact OE2-NE 3.36Å; E653-R682 PolarHBondContact OE2-NE 2.91Å; E653-R682 VanDerWaalsContact OE2-NE 3.1Å; E653-R682 IonicContact OE2-NH2 4Å; E653-R682 PolarHBondContact OE2-NH2 3.04Å; V674-R682 WeakPolarHBondContact O-CD 3.47Å; V674-R682 PolarHBondContact O-NH1 3.42Å; R676-R682 WeakPolarHBondContact O-CB 3.39Å; R676-R682 PolarHBondContact O-N 3.38Å; R682-H684 VanDerWaalsContact C-N 3.29Å; R682-H684 HydrophobicContact CG-CB 4.26Å; R682-H684 VanDerWaalsContact CG-CD2 3.42Å; R682-H684 WeakPolarHBondContact CG-CD2 3.39Å; R682-H684 VanDerWaalsContact CG-CE1 3.45Å; R682-H684 WeakPolarHBondContact CG-CE1 3.49Å; R682-H684 VanDerWaalsContact CG-CG 3.5Å; R682-H684 WeakPolarHBondContact CG-NE2 3.49Å; R682-H684 PolarHBondContact O-CD2 2.74Å; R682-H684 PolarHBondContact O-N 2.98Å; R682-E740 IonicContact CZ-OE1 2.84Å; R682-E740 IonicContact CZ-OE2 3.94Å; R682-E740 IonicContact NH1-OE1 3.44Å; R682-E740 IonicContact NH1-OE2 2.75Å; R682-E740 PolarHBondContact NH1-OE2 2.87Å; R682-E740 IonicContact NH2-OE1 3.27Å; R682-E740 PolarHBondContact NH2-OE1 3.26Å; R682-E740 IonicContact NH2-OE2 3.24Å; R682-E740 PolarHBondContact NH2-OE2 3.3Å
683	H	97.8	Very high	97.3	Very high	31 Å²	31	49.6 Å²	49.6	14%	0.144	25%	0.245	C	C	.	.			trans	43.9	50.9	178.6	-54.2	-83.3	0	0	0	113.3	L631 I634 E675 R676 S680 H681 V685 L686	L631-H683 HydrophobicContact CD1-CB 3.86Å; I634-H683 WeakPolarHBondContact CD1-NE2 3.34Å; E675-H683 CarbonylContact O-C 3Å; E675-H683 WeakPolarHBondContact O-CA 3.21Å; R676-H683 PolarHBondContact O-N 3.15Å; R676-H683 VanDerWaalsContact O-N 3.08Å; S680-H683 WeakPolarHBondContact CA-NE2 3.38Å; S680-H683 WeakPolarHBondContact CB-NE2 3.37Å; S680-H683 PolarHBondContact O-NE2 3.11Å; S680-H683 PolarHBondContact OG-CE1 2.83Å; S680-H683 PolarHBondContact OG-NE2 2.94Å; H681-H683 PolarHBondContact N-NE2 3.45Å; H683-V685 VanDerWaalsContact C-N 3.33Å; H683-L686 WeakPolarHBondContact O-CD2 3.38Å
684	H	98.1	Very high	97.2	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.247	C	C	.	.			trans	-80.3	-20.4	175.7	-73.3	179.4	0	0	0	111.9	E653 Y654 E675 R682 P698 M699 Y709	E653-H684 IonicContact OE1-CE1 3.74Å; E653-H684 PolarHBondContact OE1-CE1 2.83Å; E653-H684 IonicContact OE1-ND1 3.94Å; E653-H684 IonicContact OE1-NE2 2.71Å; Y654-H684 AromaticContact CD2-CD2 3.47Å; Y654-H684 VanDerWaalsContact CD2-CD2 3.47Å; Y654-H684 WeakPolarHBondContact CD2-CD2 3.49Å; Y654-H684 AromaticContact CD2-NE2 3.2Å; Y654-H684 WeakPolarHBondContact CD2-NE2 3.18Å; Y654-H684 AromaticContact CE2-CD2 3.69Å; Y654-H684 AromaticContact CE2-NE2 3.9Å; Y654-H684 AromaticContact CG-NE2 3.93Å; E675-H684 PolarHBondContact O-N 3.37Å; R682-H684 VanDerWaalsContact C-N 3.29Å; R682-H684 HydrophobicContact CG-CB 4.26Å; R682-H684 VanDerWaalsContact CG-CD2 3.42Å; R682-H684 WeakPolarHBondContact CG-CD2 3.39Å; R682-H684 VanDerWaalsContact CG-CE1 3.45Å; R682-H684 WeakPolarHBondContact CG-CE1 3.49Å; R682-H684 VanDerWaalsContact CG-CG 3.5Å; R682-H684 WeakPolarHBondContact CG-NE2 3.49Å; R682-H684 PolarHBondContact O-CD2 2.74Å; R682-H684 PolarHBondContact O-N 2.98Å; H684-P698 WeakPolarHBondContact O-CD 3.43Å; H684-M699 VanDerWaalsContact CE1-CE 3.5Å; H684-M699 WeakPolarHBondContact CE1-CE 3.34Å; H684-Y709 HydrophobicContact CB-CE1 4.03Å; H684-Y709 AromaticContact ND1-CZ 3.68Å; H684-Y709 PolarHBondContact ND1-OH 2.88Å
685	V	98.1	Very high	97.2	Very high	9 Å²	9	54.5 Å²	54.5	6%	0.055	27%	0.268	C	S	.	.	S	Bend	trans	-105.8	132.3	163.5	-171.3	0	0	0	0	108.9	E675 H683 T695 C696 I697 V711	E675-V685 HydrophobicContact CB-CB 3.99Å; E675-V685 HydrophobicContact CB-CG2 3.6Å; E675-V685 HydrophobicContact CG-CB 4.38Å; E675-V685 HydrophobicContact CG-CG2 3.53Å; E675-V685 PolarHBondContact O-N 3.45Å; H683-V685 VanDerWaalsContact C-N 3.33Å; V685-T695 HydrophobicContact CG1-CG2 3.71Å; V685-C696 WeakPolarHBondContact CA-O 3.49Å; V685-I697 HydrophobicContact CG1-CG1 4.49Å; V685-I697 HydrophobicContact CG2-CD1 4.3Å; V685-I697 HydrophobicContact CG2-CG1 4.15Å; V685-V711 HydrophobicContact CG2-CG1 3.62Å
686	L	98	Very high	97.1	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.01	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	144.1	169.7	-37.8	-177.2	0	0	0	108	V620 F625 I627 L631 H683 T695 C696 P698	V620-L686 HydrophobicContact CB-CD1 4.48Å; V620-L686 HydrophobicContact CG1-CD1 4.35Å; V620-L686 HydrophobicContact CG2-CD1 3.92Å; F625-L686 HydrophobicContact CE1-CB 4.01Å; F625-L686 HydrophobicContact CZ-CB 4.27Å; F625-L686 WeakPolarHBondContact CZ-O 3.48Å; I627-L686 HydrophobicContact CG2-CB 4.3Å; I627-L686 HydrophobicContact CG2-CD1 4.24Å; L631-L686 HydrophobicContact CD1-CD2 4.49Å; L631-L686 HydrophobicContact CD2-CB 4.43Å; L631-L686 HydrophobicContact CD2-CD2 3.98Å; H683-L686 WeakPolarHBondContact O-CD2 3.38Å; L686-T695 CarbonylContact O-C 3.34Å; L686-T695 VanDerWaalsContact O-CA 3.24Å; L686-T695 WeakPolarHBondContact O-CA 3.02Å; L686-C696 HydrophobicContact CB-CB 4.48Å; L686-C696 PolarHBondContact N-O 3.49Å; L686-C696 PolarHBondContact O-N 3.41Å; L686-P698 HydrophobicContact CD1-CG 3.57Å; L686-P698 HydrophobicContact CD2-CG 4.29Å; L686-P698 HydrophobicContact CG-CG 3.77Å
687	H	97.4	Very high	97.1	Very high	97 Å²	97	50.6 Å²	50.6	45%	0.449	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	134	178.4	-56.9	-101.7	0	0	0	110	Q689	H687-Q689 PolarHBondContact O-NE2 2.88Å
688	D	98	Very high	97	Very high	12 Å²	12	50.8 Å²	50.8	6%	0.064	26%	0.256	C	S	.	.			trans	-68.9	134.1	174.6	-157	-38.4	0	0	0	109.8	F625 T626 N690 V691 R694	F625-D688 WeakPolarHBondContact CA-OD2 3.15Å; F625-D688 HydrophobicContact CD1-CB 4.49Å; F625-D688 HydrophobicContact CD2-CB 4.32Å; F625-D688 HydrophobicContact CE1-CB 4.21Å; F625-D688 HydrophobicContact CE2-CB 4.04Å; F625-D688 HydrophobicContact CZ-CB 3.97Å; F625-D688 VanDerWaalsContact CZ-N 3.26Å; T626-D688 VanDerWaalsContact CB-OD1 3.29Å; T626-D688 WeakPolarHBondContact CB-OD1 3.01Å; T626-D688 PolarHBondContact N-OD1 3.28Å; T626-D688 PolarHBondContact N-OD2 3.3Å; T626-D688 CarbonylContact O-C 3.48Å; T626-D688 WeakPolarHBondContact O-CA 3.36Å; D688-N690 VanDerWaalsContact C-N 3.31Å; D688-N690 PolarHBondContact OD1-N 3Å; D688-V691 HydrophobicContact CB-CB 4.28Å; D688-R694 HydrophobicContact CB-CB 3.95Å; D688-R694 HydrophobicContact CB-CG 4.26Å; D688-R694 PolarHBondContact N-O 2.79Å; D688-R694 WeakPolarHBondContact OD2-CD 3.48Å; D688-R694 IonicContact OD2-CZ 3.36Å; D688-R694 IonicContact OD2-NE 2.67Å; D688-R694 IonicContact OD2-NH1 3.37Å; D688-R694 PolarHBondContact OD2-NH1 3.49Å
689	Q	97.6	Very high	97	Very high	99 Å²	99	49.7 Å²	49.7	46%	0.463	25%	0.25	S	C	.	.	S	Bend	trans	-79.4	-16.6	176.7	-57.3	-60.3	-98.7	0	0	112.5	T626 H628 H687	T626-Q689 HydrophobicContact CG2-CB 4.26Å; T626-Q689 WeakPolarHBondContact O-CG 3.39Å; T626-Q689 PolarHBondContact O-N 3.47Å; H628-Q689 HydrophobicContact CB-CG 4.29Å; H687-Q689 PolarHBondContact O-NE2 2.88Å
690	N	97	Very high	97	Very high	123 Å²	123	50.8 Å²	50.8	66%	0.658	26%	0.258	S	S	*	.	S	Bend	trans	-111.3	-5.3	-173.5	-69.3	-24	0	0	0	113.9	T626 D688	T626-N690 WeakPolarHBondContact CB-ND2 3.22Å; T626-N690 PolarHBondContact OG1-ND2 3.5Å; D688-N690 VanDerWaalsContact C-N 3.31Å; D688-N690 PolarHBondContact OD1-N 3Å
691	V	96.3	Very high	97	Very high	70 Å²	70	53.3 Å²	53.3	42%	0.424	27%	0.265	S	S	.	.	S	Bend	trans	-140.5	117.9	-176.5	-171.3	0	0	0	0	110.5	D688 R694	D688-V691 HydrophobicContact CB-CB 4.28Å; V691-R694 HydrophobicContact CB-CB 3.82Å; V691-R694 HydrophobicContact CG1-CB 3.81Å; V691-R694 PolarHBondContact O-N 3.33Å
692	D	94.1	Very high	97	Very high	125 Å²	125	52.7 Å²	52.7	67%	0.668	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	141.9	178.4	-178.1	40.1	0	0	0	111.8	R694	D692-R694 PolarHBondContact O-N 3.33Å
693	K	92.4	Very high	96.9	Very high	174 Å²	174	55.7 Å²	55.7	76%	0.757	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	4.2	180	-68.2	153.4	-167	147.3	0	116.6	T695	K693-T695 PolarHBondContact O-N 2.68Å; K693-T695 VanDerWaalsContact O-N 3.11Å
694	R	96.3	Very high	96.7	Very high	84 Å²	84	60.4 Å²	60.4	32%	0.317	31%	0.307	S	S	.	.			trans	-76.8	101.4	177.3	-171.2	-177.3	179.5	-148.4	3.7	110	E623 N624 F625 D688 V691 D692	E623-R694 PolarHBondContact O-NH2 3.34Å; N624-R694 PolarHBondContact O-NH1 2.74Å; F625-R694 HydrophobicContact CD2-CG 4.31Å; F625-R694 HydrophobicContact CE2-CG 4.02Å; D688-R694 HydrophobicContact CB-CB 3.95Å; D688-R694 HydrophobicContact CB-CG 4.26Å; D688-R694 PolarHBondContact N-O 2.79Å; D688-R694 WeakPolarHBondContact OD2-CD 3.48Å; D688-R694 IonicContact OD2-CZ 3.36Å; D688-R694 IonicContact OD2-NE 2.67Å; D688-R694 IonicContact OD2-NH1 3.37Å; D688-R694 PolarHBondContact OD2-NH1 3.49Å; V691-R694 HydrophobicContact CB-CB 3.82Å; V691-R694 HydrophobicContact CG1-CB 3.81Å; V691-R694 PolarHBondContact O-N 3.33Å; D692-R694 PolarHBondContact O-N 3.33Å
695	T	96.6	Very high	96.5	Very high	72 Å²	72	67.9 Å²	67.9	44%	0.442	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	156.7	175.8	51.8	0	0	0	0	112.2	V685 L686 K693	V685-T695 HydrophobicContact CG1-CG2 3.71Å; L686-T695 CarbonylContact O-C 3.34Å; L686-T695 VanDerWaalsContact O-CA 3.24Å; L686-T695 WeakPolarHBondContact O-CA 3.02Å; K693-T695 PolarHBondContact O-N 2.68Å; K693-T695 VanDerWaalsContact O-N 3.11Å
696	C	97	Very high	96.4	Very high	6 Å²	6	68.9 Å²	68.9	4%	0.041	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	139.7	165.3	176	0	0	0	0	108.3	V622 F625 V685 L686	V622-C696 HydrophobicContact CG2-CB 3.76Å; V622-C696 VanDerWaalsContact CG2-SG 3.59Å; F625-C696 HydrophobicContact CD2-CB 4.23Å; F625-C696 HydrophobicContact CE1-CB 4.46Å; F625-C696 HydrophobicContact CE2-CB 3.69Å; F625-C696 HydrophobicContact CZ-CB 3.83Å; V685-C696 WeakPolarHBondContact CA-O 3.49Å; L686-C696 HydrophobicContact CB-CB 4.48Å; L686-C696 PolarHBondContact N-O 3.49Å; L686-C696 PolarHBondContact O-N 3.41Å
697	I	97.6	Very high	96.4	Very high	40 Å²	40	69.3 Å²	69.3	21%	0.205	36%	0.355	C	S	.	.			trans	-116.7	90.6	174.2	-52.7	-173.6	0	0	0	106.7	V685 M699 N700 H701 Y709 V711	V685-I697 HydrophobicContact CG1-CG1 4.49Å; V685-I697 HydrophobicContact CG2-CD1 4.3Å; V685-I697 HydrophobicContact CG2-CG1 4.15Å; I697-M699 HydrophobicContact CG2-CB 4.5Å; I697-M699 PolarHBondContact O-N 3.04Å; I697-N700 PolarHBondContact O-N 3.37Å; I697-H701 PolarHBondContact O-CD2 3.31Å; I697-Y709 HydrophobicContact CG2-CD1 3.71Å; I697-Y709 HydrophobicContact CG2-CE1 4.09Å; I697-V711 HydrophobicContact CD1-CG1 4.25Å; I697-V711 HydrophobicContact CG2-CG1 4.42Å
698	P	97.4	Very high	96.2	Very high	4 Å²	4	67.9 Å²	67.9	3%	0.026	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-58.8	-22.7	-170.9	-25.7	35.4	0	0	0	113.8	V616 P621 Y654 H684 L686 N700 H701	V616-P698 HydrophobicContact CG1-CB 4.31Å; V616-P698 WeakPolarHBondContact CG1-O 3.36Å; P621-P698 HydrophobicContact CG-CB 3.9Å; P621-P698 HydrophobicContact CG-CG 4.45Å; Y654-P698 WeakPolarHBondContact OH-CB 3.35Å; H684-P698 WeakPolarHBondContact O-CD 3.43Å; L686-P698 HydrophobicContact CD1-CG 3.57Å; L686-P698 HydrophobicContact CD2-CG 4.29Å; L686-P698 HydrophobicContact CG-CG 3.77Å; P698-N700 VanDerWaalsContact C-N 3.26Å; P698-N700 PolarHBondContact O-N 3.36Å; P698-H701 PolarHBondContact O-N 3.09Å; P698-H701 VanDerWaalsContact O-N 3.1Å
699	M	97.3	Very high	96.2	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-69	-19.7	176.7	-164.7	175.4	-74.4	0	0	113.4	Y654 F657 L661 H684 I697 H701 L702 Q706 Y709	Y654-M699 HydrophobicContact CD1-CE 3.47Å; Y654-M699 VanDerWaalsContact CD1-CE 3.47Å; Y654-M699 HydrophobicContact CD2-CE 3.66Å; Y654-M699 HydrophobicContact CE1-CB 4.16Å; Y654-M699 HydrophobicContact CE1-CE 3.64Å; Y654-M699 HydrophobicContact CE1-CG 4.1Å; Y654-M699 HydrophobicContact CE2-CE 3.83Å; Y654-M699 HydrophobicContact CG-CE 3.47Å; Y654-M699 VanDerWaalsContact CG-CE 3.47Å; Y654-M699 WeakPolarHBondContact OH-CA 3.35Å; Y654-M699 PolarHBondContact OH-N 3.19Å; F657-M699 HydrophobicContact CB-CE 3.95Å; F657-M699 HydrophobicContact CB-SD 3.68Å; F657-M699 HydrophobicContact CD2-CE 4.04Å; F657-M699 HydrophobicContact CD2-SD 4.14Å; F657-M699 HydrophobicContact CG-SD 4.45Å; L661-M699 HydrophobicContact CD1-CG 3.54Å; L661-M699 HydrophobicContact CD1-SD 3.78Å; H684-M699 VanDerWaalsContact CE1-CE 3.5Å; H684-M699 WeakPolarHBondContact CE1-CE 3.34Å; I697-M699 HydrophobicContact CG2-CB 4.5Å; I697-M699 PolarHBondContact O-N 3.04Å; M699-H701 VanDerWaalsContact C-N 3.26Å; M699-H701 PolarHBondContact O-N 3.25Å; M699-L702 HydrophobicContact CG-CD1 3.95Å; M699-L702 WeakPolarHBondContact O-CD1 3.22Å; M699-L702 WeakPolarHBondContact O-CG 3.46Å; M699-Q706 PolarHBondContact O-NE2 3.33Å; M699-Q706 PolarHBondContact O-OE1 2.79Å; M699-Y709 HydrophobicContact CB-CD1 3.8Å; M699-Y709 HydrophobicContact CB-CE1 4.26Å; M699-Y709 HydrophobicContact CB-CG 4.29Å; M699-Y709 HydrophobicContact CG-CD1 4.03Å; M699-Y709 HydrophobicContact CG-CG 4.05Å; M699-Y709 HydrophobicContact SD-CD1 3.67Å; M699-Y709 HydrophobicContact SD-CD2 3.58Å; M699-Y709 VanDerWaalsContact SD-CD2 3.58Å; M699-Y709 HydrophobicContact SD-CE1 3.76Å; M699-Y709 HydrophobicContact SD-CE2 3.66Å; M699-Y709 HydrophobicContact SD-CG 3.58Å; M699-Y709 VanDerWaalsContact SD-CG 3.58Å
700	N	97.1	Very high	96.2	Very high	60 Å²	60	64.3 Å²	64.3	32%	0.321	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-86.2	10	171	-77	-42.6	0	0	0	113.3	I697 P698 Y709	I697-N700 PolarHBondContact O-N 3.37Å; P698-N700 VanDerWaalsContact C-N 3.26Å; P698-N700 PolarHBondContact O-N 3.36Å; N700-Y709 PolarHBondContact ND2-O 2.69Å; N700-Y709 WeakPolarHBondContact OD1-CB 3.37Å; N700-Y709 PolarHBondContact OD1-N 3.21Å
701	H	96.9	Very high	96.3	Very high	92 Å²	92	59 Å²	59	43%	0.426	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-126	27.8	178.1	-57.7	-83.8	0	0	0	112.3	P621 I697 P698 M699	P621-H701 HydrophobicContact CB-CB 3.87Å; P621-H701 HydrophobicContact CG-CB 3.74Å; I697-H701 PolarHBondContact O-CD2 3.31Å; P698-H701 PolarHBondContact O-N 3.09Å; P698-H701 VanDerWaalsContact O-N 3.1Å; M699-H701 VanDerWaalsContact C-N 3.26Å; M699-H701 PolarHBondContact O-N 3.25Å
702	L	97.3	Very high	96.3	Very high	6 Å²	6	55.7 Å²	55.7	3%	0.031	29%	0.291	C	S	.	.	S	Bend	trans	-78.8	-48.7	179.2	-67.6	168	0	0	0	112	H612 I613 V616 Y654 G658 L661 M699	H612-L702 PolarHBondContact NE2-O 3.23Å; I613-L702 HydrophobicContact CB-CD2 4.29Å; I613-L702 HydrophobicContact CG1-CD2 4.17Å; I613-L702 HydrophobicContact CG2-CD2 4.13Å; V616-L702 HydrophobicContact CB-CD2 3.66Å; V616-L702 HydrophobicContact CG1-CD2 3.82Å; V616-L702 HydrophobicContact CG1-CG 4.49Å; V616-L702 HydrophobicContact CG2-CD2 3.99Å; Y654-L702 HydrophobicContact CE1-CD2 4.39Å; G658-L702 VanDerWaalsContact CA-CD1 3.49Å; L661-L702 HydrophobicContact CD1-CD1 4.41Å; M699-L702 HydrophobicContact CG-CD1 3.95Å; M699-L702 WeakPolarHBondContact O-CD1 3.22Å; M699-L702 WeakPolarHBondContact O-CG 3.46Å
703	W	96.9	Very high	96.5	Very high	63 Å²	63	52.8 Å²	52.8	24%	0.239	28%	0.275	C	S	.	.			trans	-147.1	150.1	177.7	-68.6	-80.9	0	0	0	111.3	V609 H612 I613 G658 K662 N705 Q706	V609-W703 HydrophobicContact CG1-CH2 4Å; V609-W703 HydrophobicContact CG1-CZ2 4.45Å; H612-W703 AromaticContact CD2-CE2 3.53Å; H612-W703 AromaticContact CD2-CH2 3.76Å; H612-W703 AromaticContact CD2-CZ2 3.24Å; H612-W703 WeakPolarHBondContact CD2-CZ2 3.46Å; H612-W703 AromaticContact CD2-NE1 3.91Å; H612-W703 AromaticContact NE2-CE2 3.66Å; H612-W703 AromaticContact NE2-CZ2 3.88Å; H612-W703 AromaticContact NE2-NE1 3.72Å; I613-W703 HydrophobicContact CD1-CH2 4.02Å; I613-W703 HydrophobicContact CD1-CZ3 4.41Å; I613-W703 HydrophobicContact CG1-CH2 3.62Å; I613-W703 HydrophobicContact CG1-CZ3 4.04Å; G658-W703 WeakPolarHBondContact O-CZ3 3.29Å; K662-W703 HydrophobicContact CB-CD2 4.47Å; K662-W703 HydrophobicContact CB-CE3 3.76Å; K662-W703 HydrophobicContact CB-CH2 4.12Å; K662-W703 HydrophobicContact CB-CZ3 3.58Å; K662-W703 HydrophobicContact CD-CD2 4.47Å; K662-W703 HydrophobicContact CD-CE3 4.39Å; K662-W703 HydrophobicContact CD-CH2 3.75Å; K662-W703 HydrophobicContact CD-CZ2 3.79Å; K662-W703 HydrophobicContact CD-CZ3 4.08Å; K662-W703 HydrophobicContact CG-CD2 4Å; K662-W703 HydrophobicContact CG-CE3 3.79Å; K662-W703 HydrophobicContact CG-CH2 4.05Å; K662-W703 HydrophobicContact CG-CZ2 4.21Å; K662-W703 HydrophobicContact CG-CZ3 3.84Å; W703-N705 PolarHBondContact O-N 2.8Å; W703-Q706 HydrophobicContact CB-CB 4.45Å; W703-Q706 VanDerWaalsContact O-CG 3.29Å; W703-Q706 WeakPolarHBondContact O-CG 3.44Å; W703-Q706 PolarHBondContact O-N 2.74Å; W703-Q706 PolarHBondContact O-OE1 3.07Å
704	P	93.8	Very high	96.7	Very high	131 Å²	131	45.4 Å²	45.4	85%	0.851	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	-29	-178.5	-26	35.3	0	0	0	115.3
705	N	93.6	Very high	96.7	Very high	156 Å²	156	42 Å²	42	83%	0.834	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.8	23.2	-174.9	-60.8	-3.3	0	0	0	112.4	W703	W703-N705 PolarHBondContact O-N 2.8Å
706	Q	96.4	Very high	96.7	Very high	30 Å²	30	45.6 Å²	45.6	14%	0.14	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-68.3	158.5	176.5	67.7	174	92.1	0	0	112	L661 M699 W703	L661-Q706 HydrophobicContact CB-CB 4.45Å; L661-Q706 WeakPolarHBondContact O-CA 3.44Å; M699-Q706 PolarHBondContact O-NE2 3.33Å; M699-Q706 PolarHBondContact O-OE1 2.79Å; W703-Q706 HydrophobicContact CB-CB 4.45Å; W703-Q706 VanDerWaalsContact O-CG 3.29Å; W703-Q706 WeakPolarHBondContact O-CG 3.44Å; W703-Q706 PolarHBondContact O-N 2.74Å; W703-Q706 PolarHBondContact O-OE1 3.07Å
707	A	96.7	Very high	96.8	Very high	11 Å²	11	45.6 Å²	45.6	9%	0.091	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-65.5	155.2	162.2	0	0	0	0	0	111.2	L661 I665	L661-A707 HydrophobicContact CD2-CB 4.25Å; L661-A707 WeakPolarHBondContact CD2-O 3.41Å; L661-A707 PolarHBondContact O-N 2.65Å; I665-A707 WeakPolarHBondContact O-CB 3.48Å
708	P	94.8	Very high	96.8	Very high	68 Å²	68	44.9 Å²	44.9	44%	0.442	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-64.6	144.4	174.7	-19	32.1	0	0	0	111.7	F389 L661 H666	F389-P708 HydrophobicContact CZ-CB 4.12Å; F389-P708 HydrophobicContact CZ-CG 4.03Å; L661-P708 WeakPolarHBondContact CD2-O 3.04Å; H666-P708 PolarHBondContact CD2-O 2.84Å; H666-P708 VanDerWaalsContact CD2-O 3.31Å
709	Y	98.1	Very high	96.9	Very high	6 Å²	6	46.5 Å²	46.5	2%	0.024	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	119.9	163.5	175	-117.5	0	0	0	109.8	F657 L661 V667 H684 I697 M699 N700 V711	F657-Y709 AromaticContact CD2-CE2 3.91Å; F657-Y709 HydrophobicContact CD2-CE2 3.91Å; F657-Y709 HydrophobicContact CE2-CE2 4.4Å; L661-Y709 HydrophobicContact CD1-CD2 4.42Å; L661-Y709 HydrophobicContact CD1-CG 4.33Å; V667-Y709 HydrophobicContact CB-CD2 3.98Å; V667-Y709 HydrophobicContact CB-CE2 4.46Å; V667-Y709 HydrophobicContact CG1-CD2 4.01Å; V667-Y709 HydrophobicContact CG1-CE2 3.99Å; H684-Y709 HydrophobicContact CB-CE1 4.03Å; H684-Y709 AromaticContact ND1-CZ 3.68Å; H684-Y709 PolarHBondContact ND1-OH 2.88Å; I697-Y709 HydrophobicContact CG2-CD1 3.71Å; I697-Y709 HydrophobicContact CG2-CE1 4.09Å; M699-Y709 HydrophobicContact CB-CD1 3.8Å; M699-Y709 HydrophobicContact CB-CE1 4.26Å; M699-Y709 HydrophobicContact CB-CG 4.29Å; M699-Y709 HydrophobicContact CG-CD1 4.03Å; M699-Y709 HydrophobicContact CG-CG 4.05Å; M699-Y709 HydrophobicContact SD-CD1 3.67Å; M699-Y709 HydrophobicContact SD-CD2 3.58Å; M699-Y709 VanDerWaalsContact SD-CD2 3.58Å; M699-Y709 HydrophobicContact SD-CE1 3.76Å; M699-Y709 HydrophobicContact SD-CE2 3.66Å; M699-Y709 HydrophobicContact SD-CG 3.58Å; M699-Y709 VanDerWaalsContact SD-CG 3.58Å; N700-Y709 PolarHBondContact ND2-O 2.69Å; N700-Y709 WeakPolarHBondContact OD1-CB 3.37Å; N700-Y709 PolarHBondContact OD1-N 3.21Å; Y709-V711 HydrophobicContact CD1-CB 4.43Å; Y709-V711 HydrophobicContact CD1-CG1 4.21Å; Y709-V711 HydrophobicContact CE1-CB 3.59Å; Y709-V711 HydrophobicContact CE1-CG1 3.5Å; Y709-V711 WeakPolarHBondContact OH-CB 3.38Å
710	T	97.5	Very high	96.9	Very high	29 Å²	29	46.5 Å²	46.5	18%	0.178	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	116.4	174.5	-55.7	0	0	0	0	108.6	V667 R668 L669	V667-T710 PolarHBondContact O-N 2.79Å; R668-T710 CarbonylContact C-O 3.52Å; R668-T710 VanDerWaalsContact CA-O 3.26Å; R668-T710 WeakPolarHBondContact CA-O 3.47Å; R668-T710 HydrophobicContact CG-CG2 4.08Å; L669-T710 PolarHBondContact N-O 3.48Å
711	V	98	Very high	97	Very high	12 Å²	12	43.7 Å²	43.7	7%	0.073	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	135	166	62.5	0	0	0	0	108.9	L669 V674 E675 V685 I697 Y709	L669-V711 HydrophobicContact CB-CG2 4.24Å; L669-V711 HydrophobicContact CD2-CG2 4.14Å; L669-V711 HydrophobicContact CG-CG2 4.29Å; L669-V711 WeakPolarHBondContact O-CA 3.29Å; V674-V711 HydrophobicContact CG2-CG2 4.04Å; E675-V711 HydrophobicContact CG-CG1 4.28Å; E675-V711 HydrophobicContact CG-CG2 3.87Å; V685-V711 HydrophobicContact CG2-CG1 3.62Å; I697-V711 HydrophobicContact CD1-CG1 4.25Å; I697-V711 HydrophobicContact CG2-CG1 4.42Å; Y709-V711 HydrophobicContact CD1-CB 4.43Å; Y709-V711 HydrophobicContact CD1-CG1 4.21Å; Y709-V711 HydrophobicContact CE1-CB 3.59Å; Y709-V711 HydrophobicContact CE1-CG1 3.5Å; Y709-V711 WeakPolarHBondContact OH-CB 3.38Å
712	C	96	Very high	97.1	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	125.2	-177.7	51.8	0	0	0	0	112	S427 L669 V674 E675 S714	S427-C712 WeakPolarHBondContact OG-CB 3.5Å; L669-C712 PolarHBondContact O-N 3.16Å; L669-C712 VanDerWaalsContact O-N 3.12Å; V674-C712 WeakPolarHBondContact CG2-O 3.12Å; E675-C712 WeakPolarHBondContact OE1-CA 3.36Å; C712-S714 PolarHBondContact O-N 2.93Å
713	N	98	Very high	97.2	Very high	64 Å²	64	39 Å²	39	34%	0.342	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	130.6	163.7	-60.4	-39.9	0	0	0	108.9	G671 D673 V674 E675	G671-N713 CarbonylContact O-C 3.54Å; G671-N713 WeakPolarHBondContact O-CA 3.18Å; D673-N713 WeakPolarHBondContact CA-OD1 2.99Å; V674-N713 PolarHBondContact N-OD1 2.88Å; V674-N713 VanDerWaalsContact N-OD1 3.11Å; E675-N713 WeakPolarHBondContact CB-OD1 3.33Å; E675-N713 WeakPolarHBondContact CG-OD1 3.37Å; E675-N713 PolarHBondContact N-OD1 3.28Å; E675-N713 VanDerWaalsContact N-OD1 3.15Å; E675-N713 VanDerWaalsContact OE1-CG 3.3Å; E675-N713 PolarHBondContact OE1-N 2.92Å; E675-N713 PolarHBondContact OE1-ND2 2.89Å; E675-N713 VanDerWaalsContact OE1-ND2 3.14Å; E675-N713 PolarHBondContact OE2-ND2 2.97Å
714	S	97.9	Very high	97.3	Very high	20 Å²	20	36 Å²	36	14%	0.14	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-82	170.1	176	71.3	0	0	0	0	112.2	Y428 G671 Q672 C712	Y428-S714 WeakPolarHBondContact OH-CA 3.43Å; Y428-S714 VanDerWaalsContact OH-CB 3.24Å; Y428-S714 WeakPolarHBondContact OH-CB 3.16Å; G671-S714 PolarHBondContact O-N 3.33Å; G671-S714 PolarHBondContact O-OG 3.15Å; Q672-S714 WeakPolarHBondContact CG-OG 3.25Å; Q672-S714 PolarHBondContact N-OG 2.78Å; C712-S714 PolarHBondContact O-N 2.93Å
715	S	95.6	Very high	97.5	Very high	13 Å²	13	29.8 Å²	29.8	9%	0.091	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-62.6	167.9	156.3	54.8	0	0	0	0	110.6	L422 S717	L422-S715 WeakPolarHBondContact CD2-OG 3.49Å; S715-S717 PolarHBondContact O-N 3.24Å
716	L	97.8	Very high	97.8	Very high	147 Å²	147	22.6 Å²	22.6	77%	0.77	13%	0.125	S	C	*	.	S	Bend	trans	-79.1	66.2	175.3	-156.9	81.5	0	0	0	110.4	Q672	Q672-L716 HydrophobicContact CG-CD1 4.3Å
717	S	97.9	Very high	97.8	Very high	6 Å²	6	21.2 Å²	21.2	4%	0.042	12%	0.118	C	C	.	.			trans	-142.4	134.4	-178.5	156.1	0	0	0	0	108.5	E418 S715 G720 V721	E418-S717 WeakPolarHBondContact OE2-CB 3.41Å; E418-S717 PolarHBondContact OE2-OG 2.94Å; S715-S717 PolarHBondContact O-N 3.24Å; S717-G720 PolarHBondContact OG-N 2.82Å; S717-V721 WeakPolarHBondContact O-CB 3.34Å; S717-V721 WeakPolarHBondContact O-CG2 3.48Å; S717-V721 PolarHBondContact OG-N 2.88Å
718	E	98.8	Very high	97.9	Very high	24 Å²	24	20.8 Å²	20.8	11%	0.112	12%	0.115	C	C	.	.	S	Bend	trans	-102.7	-39.6	169.2	-57	71.7	-151	0	0	111.2	Q672 L722 W739 M749 A750	Q672-E718 PolarHBondContact NE2-OE1 3.06Å; E718-L722 WeakPolarHBondContact O-CB 3.3Å; E718-L722 PolarHBondContact O-N 2.9Å; E718-W739 HydrophobicContact CB-CH2 4.33Å; E718-W739 HydrophobicContact CB-CZ2 3.88Å; E718-W739 HydrophobicContact CG-CH2 4.36Å; E718-W739 HydrophobicContact CG-CZ2 3.97Å; E718-M749 HydrophobicContact CB-CB 3.81Å; E718-M749 HydrophobicContact CG-CB 4.03Å; E718-M749 WeakPolarHBondContact OE2-CB 3.37Å; E718-A750 HydrophobicContact CB-CB 4.08Å; E718-A750 WeakPolarHBondContact O-CB 3.23Å
719	Y	98.5	Very high	98	Very high	39 Å²	39	17.8 Å²	17.8	15%	0.153	10%	0.095	C	C	.	.	H	α-helix	trans	-71.3	-51.2	-171.8	-169.8	-168.6	0	0	0	111.4	A375 I415 G723 C752 I753	A375-Y719 WeakPolarHBondContact CB-OH 3.28Å; I415-Y719 HydrophobicContact CB-CD1 3.88Å; I415-Y719 HydrophobicContact CB-CE1 3.73Å; I415-Y719 HydrophobicContact CB-CG 4.45Å; I415-Y719 HydrophobicContact CD1-CD1 4.16Å; I415-Y719 HydrophobicContact CD1-CD2 3.64Å; I415-Y719 HydrophobicContact CD1-CE1 3.99Å; I415-Y719 HydrophobicContact CD1-CE2 3.44Å; I415-Y719 VanDerWaalsContact CD1-CE2 3.44Å; I415-Y719 HydrophobicContact CD1-CG 4Å; I415-Y719 HydrophobicContact CG1-CD1 3.97Å; I415-Y719 HydrophobicContact CG1-CD2 4.19Å; I415-Y719 HydrophobicContact CG1-CE1 4.09Å; I415-Y719 HydrophobicContact CG1-CE2 4.3Å; I415-Y719 HydrophobicContact CG1-CG 4.02Å; I415-Y719 HydrophobicContact CG2-CE1 4.44Å; Y719-G723 PolarHBondContact O-N 2.81Å; Y719-C752 HydrophobicContact CE2-CB 3.72Å; Y719-C752 WeakPolarHBondContact OH-CB 3.5Å; Y719-I753 HydrophobicContact CD2-CD1 4.1Å; Y719-I753 HydrophobicContact CD2-CG1 3.69Å; Y719-I753 HydrophobicContact CE2-CD1 3.83Å; Y719-I753 HydrophobicContact CE2-CG1 3.8Å
720	G	98.4	Very high	97.8	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-60.6	-48.7	171	0	0	0	0	0	112.7	P378 E418 S717 G723 F724	P378-G720 WeakPolarHBondContact CB-O 3.46Å; E418-G720 PolarHBondContact OE2-N 2.85Å; S717-G720 PolarHBondContact OG-N 2.82Å; G720-G723 PolarHBondContact O-N 2.97Å; G720-F724 WeakPolarHBondContact O-CB 3.49Å; G720-F724 PolarHBondContact O-N 2.87Å
721	V	98.8	Very high	97.5	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-69.1	-44.4	-174.3	-179.5	0	0	0	0	112.7	L422 Y428 S717 G723 F724 E725	L422-V721 HydrophobicContact CD2-CG2 4.17Å; Y428-V721 HydrophobicContact CE1-CG1 4.3Å; S717-V721 WeakPolarHBondContact O-CB 3.34Å; S717-V721 WeakPolarHBondContact O-CG2 3.48Å; S717-V721 PolarHBondContact OG-N 2.88Å; V721-G723 VanDerWaalsContact C-N 3.31Å; V721-G723 PolarHBondContact O-N 2.91Å; V721-F724 WeakPolarHBondContact O-CA 3.5Å; V721-F724 WeakPolarHBondContact O-CB 3.49Å; V721-F724 PolarHBondContact O-N 3.44Å; V721-F724 VanDerWaalsContact O-N 3.09Å; V721-E725 HydrophobicContact CG1-CG 4.47Å; V721-E725 PolarHBondContact O-N 2.82Å
722	L	98.9	Very high	97.3	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-66.7	-35.2	177.8	-178.2	60.1	0	0	0	111.6	E718 F724 E725 L726 W739 A750 I753 I754 I758 I771 L773	E718-L722 WeakPolarHBondContact O-CB 3.3Å; E718-L722 PolarHBondContact O-N 2.9Å; L722-F724 VanDerWaalsContact C-N 3.3Å; L722-F724 PolarHBondContact O-N 3.08Å; L722-E725 PolarHBondContact O-N 2.87Å; L722-L726 VanDerWaalsContact O-CB 3.3Å; L722-L726 WeakPolarHBondContact O-CB 3.34Å; L722-L726 PolarHBondContact O-N 3.06Å; L722-W739 HydrophobicContact CB-CD2 4.28Å; L722-W739 HydrophobicContact CD1-CB 3.91Å; L722-W739 HydrophobicContact CD1-CD2 3.8Å; L722-W739 HydrophobicContact CD1-CE3 3.89Å; L722-W739 HydrophobicContact CD1-CG 3.82Å; L722-W739 HydrophobicContact CD2-CE3 4.44Å; L722-W739 HydrophobicContact CD2-CZ3 4.41Å; L722-W739 HydrophobicContact CG-CD2 4.48Å; L722-A750 HydrophobicContact CB-CB 3.94Å; L722-A750 HydrophobicContact CD2-CB 3.6Å; L722-A750 HydrophobicContact CG-CB 4.37Å; L722-I753 HydrophobicContact CD2-CB 4.38Å; L722-I753 HydrophobicContact CD2-CG2 4.4Å; L722-I753 HydrophobicContact CG-CB 4.42Å; L722-I753 HydrophobicContact CG-CG2 4.06Å; L722-I754 HydrophobicContact CD2-CD1 4.32Å; L722-I754 HydrophobicContact CD2-CG1 3.85Å; L722-I758 HydrophobicContact CD1-CD1 4.11Å; L722-I758 HydrophobicContact CD2-CD1 3.91Å; L722-I758 HydrophobicContact CG-CD1 4.08Å; L722-I771 HydrophobicContact CD1-CD1 3.7Å; L722-L773 HydrophobicContact CD1-CD1 4.23Å; L722-L773 HydrophobicContact CD1-CD2 4.38Å; L722-L773 HydrophobicContact CD1-CG 4.19Å; L722-L773 HydrophobicContact CD2-CD2 4.21Å
723	G	98.7	Very high	97.1	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-60.2	-40.6	170.1	0	0	0	0	0	112.2	V379 Y719 G720 V721 G727	V379-G723 VanDerWaalsContact CA-O 3.29Å; V379-G723 WeakPolarHBondContact CA-O 3.31Å; Y719-G723 PolarHBondContact O-N 2.81Å; G720-G723 PolarHBondContact O-N 2.97Å; V721-G723 VanDerWaalsContact C-N 3.31Å; V721-G723 PolarHBondContact O-N 2.91Å; G723-G727 PolarHBondContact O-N 3.32Å
724	F	98.9	Very high	96.9	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-64.8	-49.3	176.5	-167.8	-79	0	0	0	112.2	P378 M381 G382 K385 L422 Y428 G720 V721 L722 L726 G727 F728	P378-F724 HydrophobicContact CB-CB 4.48Å; P378-F724 WeakPolarHBondContact O-CA 3.28Å; M381-F724 HydrophobicContact CB-CD2 3.84Å; M381-F724 HydrophobicContact CB-CE2 3.86Å; G382-F724 VanDerWaalsContact CA-O 3.3Å; G382-F724 WeakPolarHBondContact CA-O 3.4Å; K385-F724 HydrophobicContact CB-CE1 4.21Å; K385-F724 HydrophobicContact CB-CE2 4.41Å; K385-F724 HydrophobicContact CB-CZ 3.55Å; K385-F724 HydrophobicContact CG-CE1 4.44Å; K385-F724 HydrophobicContact CG-CZ 3.92Å; L422-F724 HydrophobicContact CD1-CB 4.36Å; L422-F724 HydrophobicContact CD1-CD2 4.15Å; Y428-F724 AromaticContact CD1-CD1 3.78Å; Y428-F724 HydrophobicContact CD1-CD1 3.78Å; Y428-F724 HydrophobicContact CD1-CD2 4.32Å; Y428-F724 AromaticContact CD1-CE1 3.81Å; Y428-F724 HydrophobicContact CD1-CE1 3.81Å; Y428-F724 HydrophobicContact CD1-CE2 4.34Å; Y428-F724 HydrophobicContact CD1-CG 4.05Å; Y428-F724 HydrophobicContact CD1-CZ 4.09Å; Y428-F724 HydrophobicContact CE1-CD1 4.3Å; Y428-F724 WeakPolarHBondContact O-CE2 3.2Å; Y428-F724 VanDerWaalsContact O-CZ 3.23Å; Y428-F724 WeakPolarHBondContact O-CZ 3.25Å; G720-F724 WeakPolarHBondContact O-CB 3.49Å; G720-F724 PolarHBondContact O-N 2.87Å; V721-F724 WeakPolarHBondContact O-CA 3.5Å; V721-F724 WeakPolarHBondContact O-CB 3.49Å; V721-F724 PolarHBondContact O-N 3.44Å; V721-F724 VanDerWaalsContact O-N 3.09Å; L722-F724 VanDerWaalsContact C-N 3.3Å; L722-F724 PolarHBondContact O-N 3.08Å; F724-L726 VanDerWaalsContact C-N 3.33Å; F724-L726 PolarHBondContact O-N 2.93Å; F724-G727 PolarHBondContact O-N 2.85Å; F724-G727 VanDerWaalsContact O-N 3.14Å; F724-F728 HydrophobicContact CE1-CD2 4.28Å; F724-F728 PolarHBondContact O-N 2.93Å
725	E	98.8	Very high	96.9	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-66.4	-34.8	179.7	-59.5	-47.8	144.6	0	0	112.5	R668 S670 V721 L722 F728 A729 V737 W739 I771	R668-E725 WeakPolarHBondContact CD-OE2 3.2Å; R668-E725 IonicContact CZ-OE1 3.18Å; R668-E725 IonicContact CZ-OE2 2.7Å; R668-E725 IonicContact NE-OE1 2.73Å; R668-E725 PolarHBondContact NE-OE1 3.02Å; R668-E725 IonicContact NE-OE2 2.71Å; R668-E725 PolarHBondContact NE-OE2 2.66Å; R668-E725 IonicContact NH2-OE1 2.74Å; R668-E725 PolarHBondContact NH2-OE1 2.74Å; R668-E725 IonicContact NH2-OE2 2.8Å; S670-E725 WeakPolarHBondContact CB-OE1 3.37Å; S670-E725 VanDerWaalsContact OG-CD 3.23Å; S670-E725 PolarHBondContact OG-OE1 2.76Å; V721-E725 HydrophobicContact CG1-CG 4.47Å; V721-E725 PolarHBondContact O-N 2.82Å; L722-E725 PolarHBondContact O-N 2.87Å; E725-F728 PolarHBondContact O-N 3.39Å; E725-A729 WeakPolarHBondContact O-CB 3.37Å; E725-A729 PolarHBondContact O-N 2.97Å; E725-V737 HydrophobicContact CB-CG1 4.15Å; E725-W739 HydrophobicContact CB-CB 4.34Å; E725-W739 HydrophobicContact CG-CB 4.27Å; E725-I771 HydrophobicContact CB-CD1 4.04Å
726	L	98.5	Very high	97	Very high	6 Å²	6	17.8 Å²	17.8	3%	0.031	10%	0.098	C	C	.	.	H	α-helix	trans	-57.3	-49.5	169.7	167.8	69	0	0	0	110.9	V379 L722 F724 F728 A729 M730 I753 F757 I758 N769 I771	V379-L726 HydrophobicContact CG1-CD2 4.25Å; V379-L726 HydrophobicContact CG1-CG 4.34Å; V379-L726 HydrophobicContact CG2-CD2 4.03Å; L722-L726 VanDerWaalsContact O-CB 3.3Å; L722-L726 WeakPolarHBondContact O-CB 3.34Å; L722-L726 PolarHBondContact O-N 3.06Å; F724-L726 VanDerWaalsContact C-N 3.33Å; F724-L726 PolarHBondContact O-N 2.93Å; L726-F728 VanDerWaalsContact C-N 3.32Å; L726-F728 PolarHBondContact O-N 2.98Å; L726-A729 PolarHBondContact O-N 2.92Å; L726-M730 WeakPolarHBondContact O-CG 3.42Å; L726-M730 PolarHBondContact O-N 2.86Å; L726-I753 HydrophobicContact CB-CG2 4.39Å; L726-I753 HydrophobicContact CD2-CG2 3.67Å; L726-F757 HydrophobicContact CD2-CB 3.38Å; L726-F757 HydrophobicContact CD2-CD1 4.04Å; L726-F757 HydrophobicContact CD2-CG 3.81Å; L726-I758 HydrophobicContact CD1-CG1 4.21Å; L726-I758 HydrophobicContact CD2-CG1 4.46Å; L726-N769 PolarHBondContact O-ND2 3.28Å; L726-I771 HydrophobicContact CB-CD1 4.35Å
727	G	97.9	Very high	97.1	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-60.2	-40.9	176.8	0	0	0	0	0	112.7	V379 K383 G723 F724 A729 M730	V379-G727 VanDerWaalsContact O-CA 3.27Å; V379-G727 WeakPolarHBondContact O-CA 3.35Å; K383-G727 VanDerWaalsContact CA-O 3.31Å; K383-G727 WeakPolarHBondContact CA-O 3.47Å; K383-G727 WeakPolarHBondContact CB-O 3.49Å; K383-G727 VanDerWaalsContact N-C 3.34Å; K383-G727 PolarHBondContact N-O 2.89Å; G723-G727 PolarHBondContact O-N 3.32Å; F724-G727 PolarHBondContact O-N 2.85Å; F724-G727 VanDerWaalsContact O-N 3.14Å; G727-A729 PolarHBondContact O-N 2.93Å; G727-M730 WeakPolarHBondContact O-CB 3.26Å; G727-M730 PolarHBondContact O-N 3.28Å; G727-M730 VanDerWaalsContact O-N 3.15Å
728	F	98.2	Very high	97.1	Very high	2 Å²	2	10.6 Å²	10.6	1%	0.009	6%	0.06	C	C	.	.	H	α-helix	trans	-63.7	-42.5	177.1	-159.2	-73.3	0	0	0	111.3	G382 K385 A386 F389 Y390 H666 F724 E725 L726 M730 A731 V737	G382-F728 WeakPolarHBondContact O-CA 3.36Å; K385-F728 HydrophobicContact CB-CD2 4.4Å; K385-F728 HydrophobicContact CB-CE2 4.41Å; K385-F728 HydrophobicContact CG-CE2 4.2Å; A386-F728 HydrophobicContact CB-CB 4.33Å; A386-F728 HydrophobicContact CB-CD1 3.86Å; A386-F728 HydrophobicContact CB-CD2 3.69Å; A386-F728 HydrophobicContact CB-CE1 3.96Å; A386-F728 HydrophobicContact CB-CE2 3.79Å; A386-F728 HydrophobicContact CB-CG 3.71Å; A386-F728 HydrophobicContact CB-CZ 3.92Å; F389-F728 HydrophobicContact CB-CZ 4.27Å; F389-F728 HydrophobicContact CD1-CZ 4.45Å; F389-F728 HydrophobicContact CG-CZ 4.32Å; Y390-F728 HydrophobicContact CE2-CE1 4.41Å; H666-F728 AromaticContact CE1-CE1 3.53Å; H666-F728 AromaticContact ND1-CE1 3.89Å; H666-F728 AromaticContact NE2-CE1 2.77Å; H666-F728 WeakPolarHBondContact NE2-CE1 3.13Å; H666-F728 AromaticContact NE2-CE2 3.9Å; H666-F728 AromaticContact NE2-CZ 2.68Å; H666-F728 WeakPolarHBondContact NE2-CZ 3.44Å; F724-F728 HydrophobicContact CE1-CD2 4.28Å; F724-F728 PolarHBondContact O-N 2.93Å; E725-F728 PolarHBondContact O-N 3.39Å; L726-F728 VanDerWaalsContact C-N 3.32Å; L726-F728 PolarHBondContact O-N 2.98Å; F728-M730 PolarHBondContact O-N 3.01Å; F728-A731 PolarHBondContact O-N 2.95Å; F728-V737 HydrophobicContact CD1-CG2 3.9Å
729	A	97.6	Very high	97.1	Very high	5 Å²	5	9.6 Å²	9.6	4%	0.041	6%	0.055	C	C	.	.	H	α-helix	trans	-67.5	-12.7	175.5	0	0	0	0	0	114.3	E725 L726 G727 V737 N769 I771	E725-A729 WeakPolarHBondContact O-CB 3.37Å; E725-A729 PolarHBondContact O-N 2.97Å; L726-A729 PolarHBondContact O-N 2.92Å; G727-A729 PolarHBondContact O-N 2.93Å; A729-V737 HydrophobicContact CB-CB 3.92Å; A729-V737 HydrophobicContact CB-CG1 4.22Å; A729-V737 HydrophobicContact CB-CG2 4.06Å; A729-N769 VanDerWaalsContact CB-OD1 3.28Å; A729-N769 WeakPolarHBondContact CB-OD1 3.36Å; A729-I771 HydrophobicContact CB-CB 4.11Å
730	M	93.5	Very high	97.2	Very high	1 Å²	1	7.9 Å²	7.9	1%	0.005	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-16.6	174.9	-71.4	173	45.3	0	0	113.9	V367 V379 K383 D582 S583 W585 L726 G727 F728 R767 N769	V367-M730 HydrophobicContact CG1-CE 4.36Å; V379-M730 HydrophobicContact CG1-SD 3.64Å; K383-M730 HydrophobicContact CD-CE 4.2Å; D582-M730 WeakPolarHBondContact OD2-CE 3.46Å; S583-M730 WeakPolarHBondContact CB-O 3.35Å; S583-M730 PolarHBondContact OG-O 3.15Å; W585-M730 PolarHBondContact NE1-O 3.38Å; L726-M730 WeakPolarHBondContact O-CG 3.42Å; L726-M730 PolarHBondContact O-N 2.86Å; G727-M730 WeakPolarHBondContact O-CB 3.26Å; G727-M730 PolarHBondContact O-N 3.28Å; G727-M730 VanDerWaalsContact O-N 3.15Å; F728-M730 PolarHBondContact O-N 3.01Å; M730-R767 VanDerWaalsContact CE-NE 3.35Å; M730-N769 VanDerWaalsContact CG-ND2 3.34Å; M730-N769 WeakPolarHBondContact CG-ND2 3.28Å
731	A	91.8	Very high	97.2	Very high	18 Å²	18	8 Å²	8	15%	0.149	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-37.8	-172.7	0	0	0	0	0	113.7	A386 Y390 F728	A386-A731 HydrophobicContact CB-CB 3.45Å; A386-A731 VanDerWaalsContact CB-CB 3.45Å; Y390-A731 HydrophobicContact CD2-CB 4.17Å; Y390-A731 HydrophobicContact CE2-CB 4.09Å; F728-A731 PolarHBondContact O-N 2.95Å
732	S	92.6	Very high	97.2	Very high	22 Å²	22	10.3 Å²	10.3	15%	0.154	6%	0.06	C	C	.	.			trans	-137	133.5	-175.3	179.4	0	0	0	0	111.9	N734	S732-N734 PolarHBondContact OG-N 3.1Å; S732-N734 VanDerWaalsContact OG-N 3.09Å
733	P	92.9	Very high	97.1	Very high	13 Å²	13	11.1 Å²	11.1	8%	0.084	6%	0.064	C	C	.	.	S	Bend	trans	-74.9	-16.2	169.3	31.9	-32.6	0	0	0	112.1	W585 F588 A735 R847	W585-P733 HydrophobicContact CB-CG 4.28Å; W585-P733 HydrophobicContact CD2-CB 3.9Å; W585-P733 HydrophobicContact CD2-CG 4.04Å; W585-P733 HydrophobicContact CE3-CB 3.74Å; W585-P733 HydrophobicContact CE3-CG 4.25Å; W585-P733 HydrophobicContact CG-CB 4.46Å; W585-P733 HydrophobicContact CG-CG 4.08Å; W585-P733 HydrophobicContact CH2-CB 4.34Å; W585-P733 HydrophobicContact CZ2-CB 4.47Å; W585-P733 HydrophobicContact CZ3-CB 3.98Å; F588-P733 HydrophobicContact CB-CG 4.07Å; F588-P733 HydrophobicContact CD1-CB 4.03Å; F588-P733 HydrophobicContact CD1-CG 4.27Å; F588-P733 HydrophobicContact CD2-CB 3.77Å; F588-P733 HydrophobicContact CD2-CG 3.62Å; F588-P733 HydrophobicContact CE1-CB 3.98Å; F588-P733 HydrophobicContact CE2-CB 3.73Å; F588-P733 HydrophobicContact CE2-CG 4.08Å; F588-P733 HydrophobicContact CG-CB 3.94Å; F588-P733 HydrophobicContact CG-CG 3.74Å; F588-P733 HydrophobicContact CZ-CB 3.84Å; P733-A735 VanDerWaalsContact C-N 3.29Å; P733-A735 PolarHBondContact O-N 2.94Å; P733-R847 HydrophobicContact CB-CG 4.31Å; P733-R847 VanDerWaalsContact O-CZ 3.25Å; P733-R847 PolarHBondContact O-NE 2.85Å; P733-R847 PolarHBondContact O-NH2 3.38Å
734	N	93.8	Very high	97.1	Very high	82 Å²	82	11.1 Å²	11.1	44%	0.439	6%	0.064	S	C	.	.	S	Bend	trans	-98.5	43.2	-174.3	-63.4	-16.8	0	0	0	111.1	I665 S732	I665-N734 HydrophobicContact CD1-CB 4.06Å; S732-N734 PolarHBondContact OG-N 3.1Å; S732-N734 VanDerWaalsContact OG-N 3.09Å
735	A	96.8	Very high	97.1	Very high	7 Å²	7	11.7 Å²	11.7	6%	0.058	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	138.6	176.6	0	0	0	0	0	111.3	Y390 H666 P733 V737 I842	Y390-A735 WeakPolarHBondContact OH-CB 3.35Å; H666-A735 HydrophobicContact CB-CB 4.12Å; H666-A735 CarbonylContact O-C 3.58Å; H666-A735 WeakPolarHBondContact O-CA 3.21Å; P733-A735 VanDerWaalsContact C-N 3.29Å; P733-A735 PolarHBondContact O-N 2.94Å; A735-V737 HydrophobicContact CB-CG2 4.35Å; A735-I842 WeakPolarHBondContact O-CD1 3.26Å
736	L	98.6	Very high	97.1	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.005	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	104.8	170.7	-171.6	70.3	0	0	0	108.3	F657 L660 H666 V667 R668 L738 V772 L838 Q841 I842	F657-L736 HydrophobicContact CD1-CD2 3.92Å; F657-L736 HydrophobicContact CE1-CD2 3.88Å; L660-L736 HydrophobicContact CD1-CB 4.37Å; L660-L736 HydrophobicContact CD1-CD2 3.71Å; H666-L736 PolarHBondContact O-N 2.98Å; V667-L736 WeakPolarHBondContact CA-O 3.45Å; V667-L736 HydrophobicContact CG1-CB 4.4Å; V667-L736 HydrophobicContact CG1-CD2 4.35Å; V667-L736 HydrophobicContact CG2-CB 4.2Å; R668-L736 PolarHBondContact N-O 2.81Å; L736-L738 HydrophobicContact CD2-CD1 3.94Å; L736-L738 HydrophobicContact CD2-CD2 4.45Å; L736-L738 HydrophobicContact CD2-CG 4.47Å; L736-L738 HydrophobicContact CG-CD1 3.81Å; L736-L738 HydrophobicContact CG-CG 4.19Å; L736-V772 HydrophobicContact CD1-CG2 3.79Å; L736-L838 HydrophobicContact CD2-CD2 4.48Å; L736-Q841 HydrophobicContact CD1-CB 3.86Å; L736-Q841 HydrophobicContact CD1-CG 4.45Å; L736-I842 HydrophobicContact CB-CD1 3.94Å; L736-I842 HydrophobicContact CB-CG1 4.16Å; L736-I842 HydrophobicContact CD1-CD1 4.13Å; L736-I842 HydrophobicContact CD1-CG1 4.18Å
737	V	98.8	Very high	97.1	Very high	2 Å²	2	13.9 Å²	13.9	1%	0.012	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	120.4	179.3	-176.5	0	0	0	0	108.6	R668 E725 F728 A729 A735 V772	R668-V737 WeakPolarHBondContact O-CA 3.44Å; E725-V737 HydrophobicContact CB-CG1 4.15Å; F728-V737 HydrophobicContact CD1-CG2 3.9Å; A729-V737 HydrophobicContact CB-CB 3.92Å; A729-V737 HydrophobicContact CB-CG1 4.22Å; A729-V737 HydrophobicContact CB-CG2 4.06Å; A735-V737 HydrophobicContact CB-CG2 4.35Å; V737-V772 PolarHBondContact O-N 2.9Å
738	L	98.9	Very high	97.1	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	132.8	-176.9	-49.7	100.9	0	0	0	110.9	F657 V667 R668 L669 S670 L736 V772 L774 L838	F657-L738 HydrophobicContact CE1-CD1 3.88Å; F657-L738 HydrophobicContact CE1-CD2 3.85Å; F657-L738 HydrophobicContact CZ-CD1 3.89Å; F657-L738 HydrophobicContact CZ-CD2 3.84Å; V667-L738 HydrophobicContact CG1-CD1 3.89Å; R668-L738 WeakPolarHBondContact O-CD1 3.23Å; R668-L738 PolarHBondContact O-N 2.88Å; L669-L738 HydrophobicContact CD1-CB 3.82Å; S670-L738 PolarHBondContact N-O 3.03Å; L736-L738 HydrophobicContact CD2-CD1 3.94Å; L736-L738 HydrophobicContact CD2-CD2 4.45Å; L736-L738 HydrophobicContact CD2-CG 4.47Å; L736-L738 HydrophobicContact CG-CD1 3.81Å; L736-L738 HydrophobicContact CG-CG 4.19Å; L738-V772 WeakPolarHBondContact CA-O 3.44Å; L738-V772 HydrophobicContact CB-CB 4.36Å; L738-V772 HydrophobicContact CD2-CB 4Å; L738-V772 HydrophobicContact CD2-CG1 4.08Å; L738-V772 HydrophobicContact CD2-CG2 4.41Å; L738-V772 HydrophobicContact CG-CB 4.01Å; L738-V772 HydrophobicContact CG-CG2 4.37Å; L738-L774 HydrophobicContact CD2-CD1 3.96Å; L738-L774 HydrophobicContact CD2-CD2 4.33Å; L738-L774 HydrophobicContact CD2-CG 4.27Å; L738-L838 HydrophobicContact CD2-CD2 3.8Å
739	W	98.9	Very high	97.1	Very high	4 Å²	4	22.7 Å²	22.7	2%	0.015	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	127.1	165.3	-179.7	79	0	0	0	109.6	S670 E718 L722 E725 A741 V772 L773 L774 L775	S670-W739 CarbonylContact O-C 3.2Å; S670-W739 WeakPolarHBondContact O-CA 3.24Å; E718-W739 HydrophobicContact CB-CH2 4.33Å; E718-W739 HydrophobicContact CB-CZ2 3.88Å; E718-W739 HydrophobicContact CG-CH2 4.36Å; E718-W739 HydrophobicContact CG-CZ2 3.97Å; L722-W739 HydrophobicContact CB-CD2 4.28Å; L722-W739 HydrophobicContact CD1-CB 3.91Å; L722-W739 HydrophobicContact CD1-CD2 3.8Å; L722-W739 HydrophobicContact CD1-CE3 3.89Å; L722-W739 HydrophobicContact CD1-CG 3.82Å; L722-W739 HydrophobicContact CD2-CE3 4.44Å; L722-W739 HydrophobicContact CD2-CZ3 4.41Å; L722-W739 HydrophobicContact CG-CD2 4.48Å; E725-W739 HydrophobicContact CB-CB 4.34Å; E725-W739 HydrophobicContact CG-CB 4.27Å; W739-A741 HydrophobicContact CH2-CB 3.66Å; W739-A741 HydrophobicContact CZ2-CB 4.37Å; W739-A741 HydrophobicContact CZ3-CB 3.78Å; W739-V772 PolarHBondContact N-O 3.23Å; W739-L773 HydrophobicContact CE3-CG 4.2Å; W739-L773 WeakPolarHBondContact O-CA 3.26Å; W739-L774 PolarHBondContact O-N 3.36Å; W739-L775 HydrophobicContact CZ3-CD2 3.93Å
740	E	98.9	Very high	97.2	Very high	3 Å²	3	22.5 Å²	22.5	1%	0.014	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	123	175.1	-177.9	170.5	-96.7	0	0	111.1	L669 S670 V674 H681 R682 L774	L669-E740 HydrophobicContact CD1-CB 4.37Å; S670-E740 PolarHBondContact O-N 2.99Å; V674-E740 HydrophobicContact CG1-CB 3.77Å; V674-E740 HydrophobicContact CG1-CG 4.36Å; H681-E740 IonicContact CE1-OE2 3.1Å; R682-E740 IonicContact CZ-OE1 2.84Å; R682-E740 IonicContact CZ-OE2 3.94Å; R682-E740 IonicContact NH1-OE1 3.44Å; R682-E740 IonicContact NH1-OE2 2.75Å; R682-E740 PolarHBondContact NH1-OE2 2.87Å; R682-E740 IonicContact NH2-OE1 3.27Å; R682-E740 PolarHBondContact NH2-OE1 3.26Å; R682-E740 IonicContact NH2-OE2 3.24Å; R682-E740 PolarHBondContact NH2-OE2 3.3Å; E740-L774 WeakPolarHBondContact CA-O 3.39Å; E740-L774 HydrophobicContact CB-CB 3.92Å; E740-L774 HydrophobicContact CB-CD1 4.33Å; E740-L774 HydrophobicContact CG-CB 3.96Å
741	A	98.8	Very high	97.4	Very high	2 Å²	2	23.8 Å²	23.8	2%	0.017	13%	0.125	C	C	.	.			trans	-76.2	139.2	169.6	0	0	0	0	0	109.7	W739 F743 L774 L775 P776	W739-A741 HydrophobicContact CH2-CB 3.66Å; W739-A741 HydrophobicContact CZ2-CB 4.37Å; W739-A741 HydrophobicContact CZ3-CB 3.78Å; A741-F743 VanDerWaalsContact CB-O 3.26Å; A741-F743 WeakPolarHBondContact CB-O 3.43Å; A741-F743 PolarHBondContact O-N 2.84Å; A741-L774 PolarHBondContact N-O 3.05Å; A741-L775 HydrophobicContact CB-CD2 3.92Å; A741-P776 WeakPolarHBondContact O-CD 3.32Å; A741-P776 WeakPolarHBondContact O-CG 3.22Å
742	Q	98.5	Very high	97.8	Very high	49 Å²	49	23.9 Å²	23.9	23%	0.229	13%	0.125	C	C	.	.	S	Bend	trans	-57	-42.3	-177.6	-159.6	-168.7	65.1	0	0	111.7	Q672 D673 T678 F746	Q672-Q742 HydrophobicContact CB-CB 4.15Å; Q672-Q742 HydrophobicContact CB-CG 4.4Å; D673-Q742 PolarHBondContact OD2-NE2 3.42Å; T678-Q742 HydrophobicContact CG2-CG 3.72Å; T678-Q742 WeakPolarHBondContact CG2-O 3.47Å; T678-Q742 WeakPolarHBondContact OG1-CG 3.47Å; T678-Q742 PolarHBondContact OG1-O 3.29Å; Q742-F746 HydrophobicContact CB-CD2 4.38Å; Q742-F746 HydrophobicContact CB-CE2 4.45Å
743	F	98.7	Very high	98	Very high	17 Å²	17	22.9 Å²	22.9	8%	0.075	12%	0.117	C	C	.	.	S	Bend	trans	-129.1	148.6	157.6	-79.4	-104.4	0	0	0	108.3	T678 F679 A741 D745 F746 M782 H786 K856	T678-F743 HydrophobicContact CG2-CD2 4.35Å; T678-F743 HydrophobicContact CG2-CE2 3.84Å; F679-F743 AromaticContact CE1-CE1 3.78Å; F679-F743 HydrophobicContact CE1-CE1 3.78Å; F679-F743 HydrophobicContact CE1-CE2 4.2Å; F679-F743 AromaticContact CE1-CZ 3.54Å; F679-F743 HydrophobicContact CE1-CZ 3.54Å; F679-F743 HydrophobicContact CZ-CD1 4.26Å; F679-F743 AromaticContact CZ-CE1 3.89Å; F679-F743 HydrophobicContact CZ-CE1 3.89Å; F679-F743 HydrophobicContact CZ-CE2 4.22Å; F679-F743 AromaticContact CZ-CZ 3.85Å; F679-F743 HydrophobicContact CZ-CZ 3.85Å; A741-F743 VanDerWaalsContact CB-O 3.26Å; A741-F743 WeakPolarHBondContact CB-O 3.43Å; A741-F743 PolarHBondContact O-N 2.84Å; F743-D745 PolarHBondContact O-N 3.49Å; F743-D745 VanDerWaalsContact O-N 3.15Å; F743-F746 HydrophobicContact CB-CD2 4.18Å; F743-F746 HydrophobicContact CB-CE2 3.92Å; F743-F746 HydrophobicContact CB-CZ 4.4Å; F743-F746 HydrophobicContact CD2-CE2 4.3Å; F743-F746 PolarHBondContact O-N 3Å; F743-M782 HydrophobicContact CE1-CE 3.85Å; F743-M782 HydrophobicContact CE1-SD 4.23Å; F743-M782 HydrophobicContact CZ-CE 3.79Å; F743-H786 HydrophobicContact CD1-CB 3.94Å; F743-H786 AromaticContact CD1-CD2 3.93Å; F743-H786 AromaticContact CD2-CD2 3.84Å; F743-H786 HydrophobicContact CE1-CB 3.92Å; F743-H786 AromaticContact CE1-CD2 3.82Å; F743-H786 AromaticContact CE2-CD2 3.75Å; F743-H786 AromaticContact CG-CD2 3.95Å; F743-H786 AromaticContact CZ-CD2 3.73Å; F743-K856 HydrophobicContact CD1-CD 3.94Å; F743-K856 HydrophobicContact CE1-CD 3.78Å
744	G	98.7	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	-60.6	-28.7	-176.8	0	0	0	0	0	113	F746 N747 P776	G744-F746 PolarHBondContact O-N 2.01Å; G744-F746 VanDerWaalsContact O-N 3.13Å; G744-N747 PolarHBondContact O-N 3.01Å; G744-N747 PolarHBondContact O-ND2 3.29Å; G744-P776 WeakPolarHBondContact CA-O 3.49Å; G744-P776 PolarHBondContact N-O 2.78Å
745	D	98.8	Very high	98.5	Very high	12 Å²	12	21 Å²	21	6%	0.064	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-52.7	-29.6	178	-54.1	-118.3	0	0	0	113.8	F743 N747 N748 E785 H786 S787 S788	F743-D745 PolarHBondContact O-N 3.49Å; F743-D745 VanDerWaalsContact O-N 3.15Å; D745-N747 PolarHBondContact O-N 2.87Å; D745-N748 PolarHBondContact O-OD1 3.08Å; D745-E785 WeakPolarHBondContact CB-O 3.33Å; D745-H786 PolarHBondContact OD1-N 3.39Å; D745-S787 VanDerWaalsContact CG-N 3.32Å; D745-S787 PolarHBondContact OD1-N 2.65Å; D745-S787 PolarHBondContact OD2-N 3.27Å; D745-S788 VanDerWaalsContact CA-O 3.29Å; D745-S788 WeakPolarHBondContact CA-O 3.39Å; D745-S788 VanDerWaalsContact CG-O 3.29Å; D745-S788 PolarHBondContact OD1-N 3.28Å; D745-S788 PolarHBondContact OD2-N 2.89Å
746	F	98.7	Very high	98.6	Very high	52 Å²	52	23 Å²	23	23%	0.228	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-83.4	-2.7	-176.2	-52.3	-39	0	0	0	115	Q742 F743 G744 N748 M749 E785	Q742-F746 HydrophobicContact CB-CD2 4.38Å; Q742-F746 HydrophobicContact CB-CE2 4.45Å; F743-F746 HydrophobicContact CB-CD2 4.18Å; F743-F746 HydrophobicContact CB-CE2 3.92Å; F743-F746 HydrophobicContact CB-CZ 4.4Å; F743-F746 HydrophobicContact CD2-CE2 4.3Å; F743-F746 PolarHBondContact O-N 3Å; G744-F746 PolarHBondContact O-N 2.01Å; G744-F746 VanDerWaalsContact O-N 3.13Å; F746-N748 VanDerWaalsContact C-OD1 3.26Å; F746-N748 WeakPolarHBondContact CA-OD1 3.49Å; F746-N748 PolarHBondContact O-N 3.11Å; F746-N748 VanDerWaalsContact O-N 3.08Å; F746-N748 PolarHBondContact O-OD1 2.83Å; F746-M749 WeakPolarHBondContact O-CB 3.35Å; F746-M749 PolarHBondContact O-N 3.13Å; F746-M749 VanDerWaalsContact O-N 3.09Å; F746-E785 HydrophobicContact CE1-CB 4.47Å
747	N	98.4	Very high	98.6	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-59.1	-24.3	178	80.5	85.4	0	0	0	113.4	G744 D745 M749 A750 I754 L775 A789 F794	G744-N747 PolarHBondContact O-N 3.01Å; G744-N747 PolarHBondContact O-ND2 3.29Å; D745-N747 PolarHBondContact O-N 2.87Å; N747-M749 PolarHBondContact O-N 3.29Å; N747-A750 PolarHBondContact O-N 3.45Å; N747-I754 HydrophobicContact CB-CD1 4.19Å; N747-L775 HydrophobicContact CB-CD2 3.89Å; N747-A789 PolarHBondContact ND2-O 3.46Å; N747-F794 WeakPolarHBondContact OD1-CZ 3.19Å
748	N	98.2	Very high	98.6	Very high	72 Å²	72	23.5 Å²	23.5	39%	0.385	12%	0.117	S	C	.	.	G	3₁₀ helix	trans	-60	-22.7	176.2	65.3	-20.1	0	0	0	114.1	D745 F746 A750 Q751	D745-N748 PolarHBondContact O-OD1 3.08Å; F746-N748 VanDerWaalsContact C-OD1 3.26Å; F746-N748 WeakPolarHBondContact CA-OD1 3.49Å; F746-N748 PolarHBondContact O-N 3.11Å; F746-N748 VanDerWaalsContact O-N 3.08Å; F746-N748 PolarHBondContact O-OD1 2.83Å; N748-A750 VanDerWaalsContact C-N 3.27Å; N748-A750 PolarHBondContact O-N 2.98Å; N748-Q751 WeakPolarHBondContact O-CB 3.36Å; N748-Q751 PolarHBondContact O-N 3.35Å
749	M	98.3	Very high	98.5	Very high	115 Å²	115	24.6 Å²	24.6	57%	0.567	12%	0.124	S	C	*	.	G	3₁₀ helix	trans	-68	-29.1	174.3	-67.4	-60.1	-65.9	0	0	111.8	E718 F746 N747	E718-M749 HydrophobicContact CB-CB 3.81Å; E718-M749 HydrophobicContact CG-CB 4.03Å; E718-M749 WeakPolarHBondContact OE2-CB 3.37Å; F746-M749 WeakPolarHBondContact O-CB 3.35Å; F746-M749 PolarHBondContact O-N 3.13Å; F746-M749 VanDerWaalsContact O-N 3.09Å; N747-M749 PolarHBondContact O-N 3.29Å
750	A	98.5	Very high	98.3	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-100	17.3	178	0	0	0	0	0	113.7	E718 L722 N747 N748 C752 I753 I754	E718-A750 HydrophobicContact CB-CB 4.08Å; E718-A750 WeakPolarHBondContact O-CB 3.23Å; L722-A750 HydrophobicContact CB-CB 3.94Å; L722-A750 HydrophobicContact CD2-CB 3.6Å; L722-A750 HydrophobicContact CG-CB 4.37Å; N747-A750 PolarHBondContact O-N 3.45Å; N748-A750 VanDerWaalsContact C-N 3.27Å; N748-A750 PolarHBondContact O-N 2.98Å; A750-C752 PolarHBondContact O-N 3.28Å; A750-I753 PolarHBondContact O-N 2.9Å; A750-I754 PolarHBondContact O-N 3.45Å
751	Q	98.7	Very high	98.1	Very high	28 Å²	28	25.6 Å²	25.6	13%	0.131	13%	0.132	C	C	.	.	H	α-helix	trans	-54.4	-34.7	-169.8	-163.9	70.8	64.6	0	0	113.6	N748 I753 I754 D755 R793	N748-Q751 WeakPolarHBondContact O-CB 3.36Å; N748-Q751 PolarHBondContact O-N 3.35Å; Q751-I753 VanDerWaalsContact C-N 3.3Å; Q751-I753 PolarHBondContact O-N 3.38Å; Q751-I754 PolarHBondContact O-N 3.36Å; Q751-D755 WeakPolarHBondContact CG-OD2 3.36Å; Q751-D755 PolarHBondContact NE2-OD1 3.48Å; Q751-D755 WeakPolarHBondContact O-CB 3.47Å; Q751-D755 VanDerWaalsContact O-CG 3.26Å; Q751-D755 PolarHBondContact O-N 2.94Å; Q751-R793 VanDerWaalsContact OE1-CD 3.24Å
752	C	98.4	Very high	97.7	Very high	21 Å²	21	27.4 Å²	27.4	14%	0.142	14%	0.141	C	C	.	.	H	α-helix	trans	-64.5	-31.2	177.2	-177.1	0	0	0	0	113.3	H372 Y719 A750 Q756	H372-C752 PolarHBondContact CD2-SG 3.14Å; Y719-C752 HydrophobicContact CE2-CB 3.72Å; Y719-C752 WeakPolarHBondContact OH-CB 3.5Å; A750-C752 PolarHBondContact O-N 3.28Å; C752-Q756 VanDerWaalsContact O-CB 3.22Å; C752-Q756 WeakPolarHBondContact O-CB 3.4Å; C752-Q756 WeakPolarHBondContact O-CG 3.4Å; C752-Q756 PolarHBondContact O-N 2.87Å; C752-Q756 VanDerWaalsContact O-N 3.1Å
753	I	98.8	Very high	97.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-71.8	-43.5	174.4	-55.2	-61.4	0	0	0	109.6	Y719 L722 L726 A750 Q751 F757 I758	Y719-I753 HydrophobicContact CD2-CD1 4.1Å; Y719-I753 HydrophobicContact CD2-CG1 3.69Å; Y719-I753 HydrophobicContact CE2-CD1 3.83Å; Y719-I753 HydrophobicContact CE2-CG1 3.8Å; L722-I753 HydrophobicContact CD2-CB 4.38Å; L722-I753 HydrophobicContact CD2-CG2 4.4Å; L722-I753 HydrophobicContact CG-CB 4.42Å; L722-I753 HydrophobicContact CG-CG2 4.06Å; L726-I753 HydrophobicContact CB-CG2 4.39Å; L726-I753 HydrophobicContact CD2-CG2 3.67Å; A750-I753 PolarHBondContact O-N 2.9Å; Q751-I753 VanDerWaalsContact C-N 3.3Å; Q751-I753 PolarHBondContact O-N 3.38Å; I753-F757 HydrophobicContact CD1-CD2 4.24Å; I753-F757 HydrophobicContact CD1-CE2 4.14Å; I753-F757 WeakPolarHBondContact O-CB 3.3Å; I753-F757 PolarHBondContact O-N 2.86Å; I753-F757 VanDerWaalsContact O-N 3.11Å; I753-I758 HydrophobicContact CG2-CD1 3.93Å; I753-I758 HydrophobicContact CG2-CG1 4.06Å; I753-I758 PolarHBondContact O-N 2.76Å
754	I	98.8	Very high	97	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.148	C	C	.	.	I	π-helix	trans	-59	-54.5	177.3	-60.8	172.4	0	0	0	110.5	L722 N747 A750 Q751 I758 C759 L773 F794 M797 W823	L722-I754 HydrophobicContact CD2-CD1 4.32Å; L722-I754 HydrophobicContact CD2-CG1 3.85Å; N747-I754 HydrophobicContact CB-CD1 4.19Å; A750-I754 PolarHBondContact O-N 3.45Å; Q751-I754 PolarHBondContact O-N 3.36Å; I754-I758 HydrophobicContact CG1-CD1 4.27Å; I754-I758 PolarHBondContact O-N 3.39Å; I754-C759 WeakPolarHBondContact O-CB 3.08Å; I754-C759 PolarHBondContact O-N 3.33Å; I754-L773 HydrophobicContact CG1-CD2 4.48Å; I754-F794 HydrophobicContact CD1-CE1 4.26Å; I754-F794 HydrophobicContact CD1-CZ 4.06Å; I754-F794 HydrophobicContact CG2-CD1 4.41Å; I754-F794 HydrophobicContact CG2-CE1 3.81Å; I754-M797 HydrophobicContact CG2-CE 4.4Å; I754-W823 HydrophobicContact CG2-CH2 3.68Å; I754-W823 HydrophobicContact CG2-CZ3 3.84Å
755	D	98.5	Very high	96.5	Very high	55 Å²	55	27.8 Å²	27.8	29%	0.294	15%	0.15	S	C	.	.	I	π-helix	trans	-71.6	-38.4	-173.1	-67.6	5	0	0	0	112.9	Q751 P760 M797	Q751-D755 WeakPolarHBondContact CG-OD2 3.36Å; Q751-D755 PolarHBondContact NE2-OD1 3.48Å; Q751-D755 WeakPolarHBondContact O-CB 3.47Å; Q751-D755 VanDerWaalsContact O-CG 3.26Å; Q751-D755 PolarHBondContact O-N 2.94Å; D755-P760 WeakPolarHBondContact O-CD 3.43Å; D755-P760 WeakPolarHBondContact O-CG 3.37Å; D755-M797 HydrophobicContact CB-CE 4.35Å; D755-M797 VanDerWaalsContact OD1-CE 3.3Å; D755-M797 WeakPolarHBondContact OD1-CE 2.68Å
756	Q	97.9	Very high	96	Very high	50 Å²	50	29.2 Å²	29.2	23%	0.234	16%	0.159	C	C	.	.	I	π-helix	trans	-107.8	-13.2	-165.6	-53.2	-67.3	42.8	0	0	114.9	P370 H372 C752 K764 W765	P370-Q756 HydrophobicContact CB-CB 3.87Å; P370-Q756 HydrophobicContact CB-CG 4.43Å; P370-Q756 HydrophobicContact CG-CB 3.83Å; H372-Q756 PolarHBondContact CE1-NE2 2.68Å; H372-Q756 PolarHBondContact NE2-NE2 3.47Å; H372-Q756 VanDerWaalsContact NE2-NE2 3.14Å; C752-Q756 VanDerWaalsContact O-CB 3.22Å; C752-Q756 WeakPolarHBondContact O-CB 3.4Å; C752-Q756 WeakPolarHBondContact O-CG 3.4Å; C752-Q756 PolarHBondContact O-N 2.87Å; C752-Q756 VanDerWaalsContact O-N 3.1Å; Q756-K764 PolarHBondContact O-NZ 3.13Å; Q756-W765 WeakPolarHBondContact O-CH2 3.27Å
757	F	98.1	Very high	95.4	Very high	7 Å²	7	27.6 Å²	27.6	3%	0.031	15%	0.151	C	C	.	.	I	π-helix	trans	-126.1	-52	175.7	-61.8	-103.6	0	0	0	113.2	P370 A375 A376 V379 L726 I753 G761 W765	P370-F757 HydrophobicContact CG-CD2 4.39Å; P370-F757 HydrophobicContact CG-CE2 3.72Å; P370-F757 HydrophobicContact CG-CZ 3.96Å; A375-F757 HydrophobicContact CB-CE2 4.18Å; A375-F757 WeakPolarHBondContact O-CZ 3.47Å; A376-F757 HydrophobicContact CB-CE1 4.5Å; A376-F757 HydrophobicContact CB-CZ 4.08Å; V379-F757 HydrophobicContact CG2-CD1 4.47Å; V379-F757 HydrophobicContact CG2-CE1 4.07Å; V379-F757 HydrophobicContact CG2-CZ 4.13Å; L726-F757 HydrophobicContact CD2-CB 3.38Å; L726-F757 HydrophobicContact CD2-CD1 4.04Å; L726-F757 HydrophobicContact CD2-CG 3.81Å; I753-F757 HydrophobicContact CD1-CD2 4.24Å; I753-F757 HydrophobicContact CD1-CE2 4.14Å; I753-F757 WeakPolarHBondContact O-CB 3.3Å; I753-F757 PolarHBondContact O-N 2.86Å; I753-F757 VanDerWaalsContact O-N 3.11Å; F757-G761 WeakPolarHBondContact O-CA 3.17Å; F757-G761 PolarHBondContact O-N 2.91Å; F757-W765 HydrophobicContact CB-CZ3 4.4Å; F757-W765 AromaticContact CD1-CH2 3.73Å; F757-W765 HydrophobicContact CD1-CH2 3.73Å; F757-W765 AromaticContact CD1-CZ3 3.62Å; F757-W765 HydrophobicContact CD1-CZ3 3.62Å; F757-W765 HydrophobicContact CE1-CH2 4.07Å; F757-W765 HydrophobicContact CE1-CZ3 4.3Å; F757-W765 HydrophobicContact CG-CH2 4.22Å; F757-W765 HydrophobicContact CG-CZ3 4.18Å
758	I	98.3	Very high	95	Very high	7 Å²	7	28.3 Å²	28.3	4%	0.036	15%	0.154	C	C	.	.	I	π-helix	trans	-70.5	-50.1	-171.4	-57.1	173.7	0	0	0	110.6	L722 L726 I753 I754 I771 L773 W823 P849	L722-I758 HydrophobicContact CD1-CD1 4.11Å; L722-I758 HydrophobicContact CD2-CD1 3.91Å; L722-I758 HydrophobicContact CG-CD1 4.08Å; L726-I758 HydrophobicContact CD1-CG1 4.21Å; L726-I758 HydrophobicContact CD2-CG1 4.46Å; I753-I758 HydrophobicContact CG2-CD1 3.93Å; I753-I758 HydrophobicContact CG2-CG1 4.06Å; I753-I758 PolarHBondContact O-N 2.76Å; I754-I758 HydrophobicContact CG1-CD1 4.27Å; I754-I758 PolarHBondContact O-N 3.39Å; I758-I771 HydrophobicContact CG2-CG2 4.34Å; I758-L773 HydrophobicContact CD1-CD1 4.18Å; I758-L773 HydrophobicContact CD1-CD2 4.3Å; I758-W823 HydrophobicContact CB-CZ3 4.36Å; I758-W823 HydrophobicContact CG2-CE3 3.92Å; I758-W823 HydrophobicContact CG2-CZ3 4.03Å; I758-P849 HydrophobicContact CG2-CB 3.52Å; I758-P849 HydrophobicContact CG2-CG 3.65Å
759	C	97.6	Very high	94.9	Very high	22 Å²	22	25.2 Å²	25.2	15%	0.149	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-54.6	178.1	162.6	0	0	0	0	113.1	I754 M797 N822 W823	I754-C759 WeakPolarHBondContact O-CB 3.08Å; I754-C759 PolarHBondContact O-N 3.33Å; C759-M797 HydrophobicContact CB-CE 3.67Å; C759-N822 PolarHBondContact SG-ND2 2.96Å; C759-W823 HydrophobicContact CB-CE3 4Å; C759-W823 HydrophobicContact CB-CH2 3.65Å; C759-W823 HydrophobicContact CB-CZ2 4.16Å; C759-W823 HydrophobicContact CB-CZ3 3.55Å
760	P	95.7	Very high	94.8	Very high	24 Å²	24	20.2 Å²	20.2	16%	0.156	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	5.3	-170.3	40.7	-40.5	0	0	0	114.2	D755 Q762 A763 K764	D755-P760 WeakPolarHBondContact O-CD 3.43Å; D755-P760 WeakPolarHBondContact O-CG 3.37Å; P760-Q762 VanDerWaalsContact C-N 3.32Å; P760-Q762 PolarHBondContact O-N 3.42Å; P760-A763 PolarHBondContact O-N 3.24Å; P760-A763 VanDerWaalsContact O-N 3.08Å; P760-K764 HydrophobicContact CB-CD 3.62Å; P760-K764 HydrophobicContact CB-CG 4.17Å; P760-K764 HydrophobicContact CG-CD 3.68Å; P760-K764 WeakPolarHBondContact O-CB 3.1Å; P760-K764 PolarHBondContact O-N 3.31Å
761	G	93.5	Very high	94.8	Very high	4 Å²	4	20.2 Å²	20.2	4%	0.041	12%	0.115	C	C	.	.	H	α-helix	trans	-58.7	-38.2	-170.6	0	0	0	0	0	114.3	F757 W765 R767	F757-G761 WeakPolarHBondContact O-CA 3.17Å; F757-G761 PolarHBondContact O-N 2.91Å; G761-W765 PolarHBondContact O-N 2.95Å; G761-W765 VanDerWaalsContact O-N 3.13Å; G761-R767 CarbonylContact C-O 3.54Å; G761-R767 PolarHBondContact O-N 2.86Å
762	Q	91.1	Very high	94.8	Very high	41 Å²	41	18.9 Å²	18.9	19%	0.192	11%	0.109	C	C	.	.	H	α-helix	trans	-70.8	-46.1	172.8	-173.3	175.2	-18.4	0	0	111.5	P760 K764 V766 R767 Q768	P760-Q762 VanDerWaalsContact C-N 3.32Å; P760-Q762 PolarHBondContact O-N 3.42Å; Q762-K764 VanDerWaalsContact C-N 3.33Å; Q762-K764 PolarHBondContact O-N 3.12Å; Q762-V766 WeakPolarHBondContact O-CA 2.77Å; Q762-V766 PolarHBondContact O-N 3.15Å; Q762-R767 WeakPolarHBondContact CA-O 3.17Å; Q762-R767 PolarHBondContact N-O 3.19Å; Q762-Q768 HydrophobicContact CG-CG 4.46Å
763	A	90.1	Very high	94.9	Very high	45 Å²	45	17.9 Å²	17.9	37%	0.372	10%	0.102	S	C	.	.	H	α-helix	trans	-63.8	-35	-178.9	0	0	0	0	0	113.3	G339 S340 G341 P760	G339-A763 CarbonylContact C-O 3.48Å; G339-A763 WeakPolarHBondContact CA-O 3.08Å; S340-A763 PolarHBondContact N-O 2.98Å; S340-A763 PolarHBondContact OG-O 3.22Å; G341-A763 PolarHBondContact N-O 3.03Å; P760-A763 PolarHBondContact O-N 3.24Å; P760-A763 VanDerWaalsContact O-N 3.08Å
764	K	91.2	Very high	94.9	Very high	22 Å²	22	17.9 Å²	17.9	10%	0.096	10%	0.102	C	C	.	.	H	α-helix	trans	-84.3	-37.7	-178.5	-71.7	164.3	60.1	-172.4	0	113.7	G341 D342 Q756 P760 Q762	G341-K764 CarbonylContact C-O 3.6Å; G341-K764 VanDerWaalsContact C-O 3.24Å; G341-K764 WeakPolarHBondContact CA-O 3.42Å; G341-K764 WeakPolarHBondContact O-CA 3.31Å; D342-K764 HydrophobicContact CB-CB 4.28Å; D342-K764 WeakPolarHBondContact OD2-CE 3.44Å; D342-K764 IonicContact OD2-NZ 3.67Å; Q756-K764 PolarHBondContact O-NZ 3.13Å; P760-K764 HydrophobicContact CB-CD 3.62Å; P760-K764 HydrophobicContact CB-CG 4.17Å; P760-K764 HydrophobicContact CG-CD 3.68Å; P760-K764 WeakPolarHBondContact O-CB 3.1Å; P760-K764 PolarHBondContact O-N 3.31Å; Q762-K764 VanDerWaalsContact C-N 3.33Å; Q762-K764 PolarHBondContact O-N 3.12Å
765	W	89.9	Confident	94.9	Very high	7 Å²	7	17.9 Å²	17.9	3%	0.027	10%	0.102	C	C	.	.	H	α-helix	trans	-134.1	9.6	-165.1	-48.3	-47.8	0	0	0	114.1	D342 A368 Q756 F757 G761 R767	D342-W765 PolarHBondContact OD2-NE1 2.81Å; A368-W765 HydrophobicContact CB-CB 4.36Å; A368-W765 HydrophobicContact CB-CD2 3.82Å; A368-W765 HydrophobicContact CB-CE3 4.49Å; A368-W765 HydrophobicContact CB-CG 3.75Å; Q756-W765 WeakPolarHBondContact O-CH2 3.27Å; F757-W765 HydrophobicContact CB-CZ3 4.4Å; F757-W765 AromaticContact CD1-CH2 3.73Å; F757-W765 HydrophobicContact CD1-CH2 3.73Å; F757-W765 AromaticContact CD1-CZ3 3.62Å; F757-W765 HydrophobicContact CD1-CZ3 3.62Å; F757-W765 HydrophobicContact CE1-CH2 4.07Å; F757-W765 HydrophobicContact CE1-CZ3 4.3Å; F757-W765 HydrophobicContact CG-CH2 4.22Å; F757-W765 HydrophobicContact CG-CZ3 4.18Å; G761-W765 PolarHBondContact O-N 2.95Å; G761-W765 VanDerWaalsContact O-N 3.13Å; W765-R767 HydrophobicContact CB-CB 4.37Å; W765-R767 VanDerWaalsContact CE3-NH1 3.28Å; W765-R767 PolarHBondContact O-N 3.25Å
766	V	86.6	Confident	94.9	Very high	42 Å²	42	15.3 Å²	15.3	26%	0.255	9%	0.089	S	C	.	.			trans	55.6	20.1	-173.7	-174.7	0	0	0	0	112.5	I577 L581 Q762 Q768	I577-V766 HydrophobicContact CB-CG2 3.76Å; I577-V766 HydrophobicContact CG2-CB 4.43Å; I577-V766 HydrophobicContact CG2-CG2 3.66Å; L581-V766 HydrophobicContact CD2-CB 4.29Å; Q762-V766 WeakPolarHBondContact O-CA 2.77Å; Q762-V766 PolarHBondContact O-N 3.15Å; V766-Q768 PolarHBondContact O-N 2.99Å
767	R	86.4	Confident	94.9	Very high	17 Å²	17	13.3 Å²	13.3	6%	0.064	8%	0.079	C	C	.	.			trans	-87.5	99.5	-177.5	-172.7	-177.1	-63	135.1	16.4	111.5	A368 D582 M730 G761 Q762 W765	A368-R767 PolarHBondContact O-NH1 2.9Å; D582-R767 IonicContact OD1-CZ 3.67Å; D582-R767 IonicContact OD1-NE 3.8Å; D582-R767 PolarHBondContact OD1-NE 2.92Å; D582-R767 IonicContact OD1-NH2 3.31Å; D582-R767 PolarHBondContact OD1-NH2 2.72Å; D582-R767 IonicContact OD2-CZ 2.77Å; D582-R767 IonicContact OD2-NE 3.19Å; D582-R767 IonicContact OD2-NH2 3.03Å; D582-R767 PolarHBondContact OD2-NH2 2.98Å; D582-R767 VanDerWaalsContact OD2-NH2 3.16Å; M730-R767 VanDerWaalsContact CE-NE 3.35Å; G761-R767 CarbonylContact C-O 3.54Å; G761-R767 PolarHBondContact O-N 2.86Å; Q762-R767 WeakPolarHBondContact CA-O 3.17Å; Q762-R767 PolarHBondContact N-O 3.19Å; W765-R767 HydrophobicContact CB-CB 4.37Å; W765-R767 VanDerWaalsContact CE3-NH1 3.28Å; W765-R767 PolarHBondContact O-N 3.25Å
768	Q	91.4	Very high	94.9	Very high	15 Å²	15	13 Å²	13	7%	0.07	8%	0.078	C	C	.	.			trans	-65.8	151.7	161.4	-72.4	-170.7	14	0	0	111.1	W585 F589 Q762 V766 R847	W585-Q768 HydrophobicContact CH2-CB 4.2Å; W585-Q768 WeakPolarHBondContact CH2-O 3.29Å; W585-Q768 HydrophobicContact CZ3-CB 3.86Å; F589-Q768 HydrophobicContact CZ-CG 4.49Å; Q762-Q768 HydrophobicContact CG-CG 4.46Å; V766-Q768 PolarHBondContact O-N 2.99Å; Q768-R847 HydrophobicContact CB-CB 4.33Å; Q768-R847 WeakPolarHBondContact CB-O 3.4Å
769	N	95.3	Very high	94.9	Very high	8 Å²	8	12.9 Å²	12.9	4%	0.043	8%	0.078	C	C	.	.			trans	-153.9	143.6	178.4	-168	-74	0	0	0	109.7	L726 A729 M730 I771 R847 K848	L726-N769 PolarHBondContact O-ND2 3.28Å; A729-N769 VanDerWaalsContact CB-OD1 3.28Å; A729-N769 WeakPolarHBondContact CB-OD1 3.36Å; M730-N769 VanDerWaalsContact CG-ND2 3.34Å; M730-N769 WeakPolarHBondContact CG-ND2 3.28Å; N769-I771 VanDerWaalsContact OD1-CB 3.3Å; N769-I771 WeakPolarHBondContact OD1-CB 3.41Å; N769-I771 VanDerWaalsContact OD1-CG2 3.31Å; N769-I771 WeakPolarHBondContact OD1-CG2 3.27Å; N769-I771 PolarHBondContact OD1-N 3.43Å; N769-R847 CarbonylContact O-C 3.53Å; N769-K848 CarbonylContact O-C 3.49Å; N769-K848 VanDerWaalsContact O-CA 3.27Å; N769-K848 WeakPolarHBondContact O-CA 3.4Å; N769-K848 PolarHBondContact O-N 2.86Å
770	G	96.6	Very high	94.9	Very high	9 Å²	9	14.2 Å²	14.2	9%	0.093	8%	0.082	C	C	.	.			trans	-100.7	5.3	-174.5	0	0	0	0	0	116.1	V772 Q841	G770-V772 PolarHBondContact O-N 3.07Å; G770-Q841 PolarHBondContact O-NE2 2.93Å
771	I	98.7	Very high	94.9	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.082	C	C	.	.			trans	-56.3	135.6	-171	-167.2	176.9	0	0	0	113	L722 E725 L726 A729 I758 N769 L773 P849 L850	L722-I771 HydrophobicContact CD1-CD1 3.7Å; E725-I771 HydrophobicContact CB-CD1 4.04Å; L726-I771 HydrophobicContact CB-CD1 4.35Å; A729-I771 HydrophobicContact CB-CB 4.11Å; I758-I771 HydrophobicContact CG2-CG2 4.34Å; N769-I771 VanDerWaalsContact OD1-CB 3.3Å; N769-I771 WeakPolarHBondContact OD1-CB 3.41Å; N769-I771 VanDerWaalsContact OD1-CG2 3.31Å; N769-I771 WeakPolarHBondContact OD1-CG2 3.27Å; N769-I771 PolarHBondContact OD1-N 3.43Å; I771-L773 HydrophobicContact CD1-CD1 4.06Å; I771-L773 HydrophobicContact CG1-CD1 4.01Å; I771-L773 HydrophobicContact CG2-CD1 4Å; I771-P849 HydrophobicContact CG2-CB 4.19Å; I771-P849 WeakPolarHBondContact O-CA 3.48Å; I771-L850 PolarHBondContact O-N 2.71Å
772	V	98.9	Very high	95	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	126.4	173.4	-172	0	0	0	0	109.6	L736 V737 L738 W739 G770 L774 L838 Q841 L850 V852	L736-V772 HydrophobicContact CD1-CG2 3.79Å; V737-V772 PolarHBondContact O-N 2.9Å; L738-V772 WeakPolarHBondContact CA-O 3.44Å; L738-V772 HydrophobicContact CB-CB 4.36Å; L738-V772 HydrophobicContact CD2-CB 4Å; L738-V772 HydrophobicContact CD2-CG1 4.08Å; L738-V772 HydrophobicContact CD2-CG2 4.41Å; L738-V772 HydrophobicContact CG-CB 4.01Å; L738-V772 HydrophobicContact CG-CG2 4.37Å; W739-V772 PolarHBondContact N-O 3.23Å; G770-V772 PolarHBondContact O-N 3.07Å; V772-L774 HydrophobicContact CG1-CD2 3.74Å; V772-L774 HydrophobicContact CG1-CG 4.41Å; V772-L838 HydrophobicContact CG1-CD2 4.37Å; V772-Q841 HydrophobicContact CG2-CG 4.09Å; V772-L850 CarbonylContact C-O 3.49Å; V772-L850 WeakPolarHBondContact CA-O 3.47Å; V772-L850 HydrophobicContact CG1-CB 4.37Å; V772-L850 HydrophobicContact CG1-CD2 4.06Å; V772-L850 HydrophobicContact CG1-CG 4.28Å; V772-L850 HydrophobicContact CG2-CB 4.33Å; V772-L850 HydrophobicContact CG2-CD2 4.37Å; V772-V852 HydrophobicContact CG1-CG2 3.86Å
773	L	98.9	Very high	95.3	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	113.3	172.9	-80.5	69.7	0	0	0	108.5	L722 W739 I754 I758 I771 L775 L850 I851 V852	L722-L773 HydrophobicContact CD1-CD1 4.23Å; L722-L773 HydrophobicContact CD1-CD2 4.38Å; L722-L773 HydrophobicContact CD1-CG 4.19Å; L722-L773 HydrophobicContact CD2-CD2 4.21Å; W739-L773 HydrophobicContact CE3-CG 4.2Å; W739-L773 WeakPolarHBondContact O-CA 3.26Å; I754-L773 HydrophobicContact CG1-CD2 4.48Å; I758-L773 HydrophobicContact CD1-CD1 4.18Å; I758-L773 HydrophobicContact CD1-CD2 4.3Å; I771-L773 HydrophobicContact CD1-CD1 4.06Å; I771-L773 HydrophobicContact CG1-CD1 4.01Å; I771-L773 HydrophobicContact CG2-CD1 4Å; L773-L775 HydrophobicContact CB-CD2 4.45Å; L773-L775 HydrophobicContact CB-CG 4.31Å; L773-L850 PolarHBondContact N-O 3.15Å; L773-I851 HydrophobicContact CB-CD1 4.11Å; L773-I851 HydrophobicContact CD1-CD1 4.32Å; L773-I851 HydrophobicContact CD2-CD1 3.98Å; L773-I851 HydrophobicContact CG-CD1 4.36Å; L773-V852 PolarHBondContact O-N 2.86Å
774	L	98.9	Very high	95.7	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	113.1	174.4	-56.1	-176.7	0	0	0	108.8	L669 L738 W739 E740 A741 V772 F834 V852 T854	L669-L774 HydrophobicContact CD1-CD1 4.3Å; L738-L774 HydrophobicContact CD2-CD1 3.96Å; L738-L774 HydrophobicContact CD2-CD2 4.33Å; L738-L774 HydrophobicContact CD2-CG 4.27Å; W739-L774 PolarHBondContact O-N 3.36Å; E740-L774 WeakPolarHBondContact CA-O 3.39Å; E740-L774 HydrophobicContact CB-CB 3.92Å; E740-L774 HydrophobicContact CB-CD1 4.33Å; E740-L774 HydrophobicContact CG-CB 3.96Å; A741-L774 PolarHBondContact N-O 3.05Å; V772-L774 HydrophobicContact CG1-CD2 3.74Å; V772-L774 HydrophobicContact CG1-CG 4.41Å; L774-F834 HydrophobicContact CD2-CE2 4Å; L774-F834 HydrophobicContact CD2-CZ 4.1Å; L774-V852 HydrophobicContact CD2-CB 3.92Å; L774-V852 HydrophobicContact CD2-CG1 4.42Å; L774-V852 HydrophobicContact CD2-CG2 4.01Å; L774-T854 HydrophobicContact CB-CG2 3.94Å; L774-T854 HydrophobicContact CD2-CG2 3.85Å; L774-T854 HydrophobicContact CG-CG2 4.39Å
775	L	98.9	Very high	96	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	94.8	-170.2	-58.6	-178.5	0	0	0	111.4	W739 A741 N747 L773 H777 A789 F794 I851 V852 F853 T854	W739-L775 HydrophobicContact CZ3-CD2 3.93Å; A741-L775 HydrophobicContact CB-CD2 3.92Å; N747-L775 HydrophobicContact CB-CD2 3.89Å; L773-L775 HydrophobicContact CB-CD2 4.45Å; L773-L775 HydrophobicContact CB-CG 4.31Å; L775-H777 PolarHBondContact O-N 2.97Å; L775-H777 VanDerWaalsContact O-N 3.15Å; L775-A789 HydrophobicContact CB-CB 3.81Å; L775-A789 HydrophobicContact CD1-CB 4.37Å; L775-F794 HydrophobicContact CD1-CE1 4.45Å; L775-F794 HydrophobicContact CD1-CE2 3.66Å; L775-F794 HydrophobicContact CD1-CZ 3.6Å; L775-I851 HydrophobicContact CD1-CG2 3.85Å; L775-V852 PolarHBondContact N-O 3.16Å; L775-F853 HydrophobicContact CB-CD1 4.18Å; L775-F853 HydrophobicContact CD1-CD1 4.37Å; L775-F853 HydrophobicContact CD1-CE1 3.97Å; L775-F853 WeakPolarHBondContact O-CA 3.41Å; L775-T854 PolarHBondContact O-N 3.33Å; L775-T854 VanDerWaalsContact O-N 3.08Å
776	P	98.8	Very high	96.4	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.006	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	114.7	-175.9	-26.5	33.9	0	0	0	114.1	F679 A741 G744 T854 K856	F679-P776 HydrophobicContact CE2-CB 3.69Å; F679-P776 HydrophobicContact CE2-CG 3.9Å; F679-P776 HydrophobicContact CZ-CB 3.84Å; F679-P776 HydrophobicContact CZ-CG 4.4Å; A741-P776 WeakPolarHBondContact O-CD 3.32Å; A741-P776 WeakPolarHBondContact O-CG 3.22Å; G744-P776 WeakPolarHBondContact CA-O 3.49Å; G744-P776 PolarHBondContact N-O 2.78Å; P776-T854 CarbonylContact C-O 3.55Å; P776-T854 VanDerWaalsContact CA-O 3.31Å; P776-T854 WeakPolarHBondContact CA-O 3.49Å; P776-T854 WeakPolarHBondContact CA-OG1 3.4Å; P776-K856 HydrophobicContact CB-CD 4.25Å; P776-K856 HydrophobicContact CB-CG 3.97Å
777	H	98.8	Very high	97	Very high	8 Å²	8	20.5 Å²	20.5	4%	0.037	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	154.9	-168.5	-173.2	26	0	0	0	111.5	L775 S787 A789 F853 T854 K856 E955 Y961	L775-H777 PolarHBondContact O-N 2.97Å; L775-H777 VanDerWaalsContact O-N 3.15Å; H777-S787 PolarHBondContact ND1-O 2.84Å; H777-A789 HydrophobicContact CB-CB 4.11Å; H777-F853 HydrophobicContact CB-CB 4.07Å; H777-T854 PolarHBondContact N-O 3.01Å; H777-K856 WeakPolarHBondContact O-CE 3.39Å; H777-E955 IonicContact CE1-OE1 3.37Å; H777-E955 IonicContact NE2-OE1 3.43Å; H777-Y961 PolarHBondContact CD2-OH 3.44Å; H777-Y961 PolarHBondContact NE2-OH 3.03Å
778	G	97.8	Very high	97.6	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.01	10%	0.104	C	C	.	.			trans	145.1	132.8	171.5	0	0	0	0	0	112.4	E780 S787 K856 E954	G778-E780 PolarHBondContact O-N 3.24Å; G778-E780 VanDerWaalsContact O-N 3.09Å; G778-S787 CarbonylContact C-O 3.57Å; G778-S787 PolarHBondContact N-O 2.91Å; G778-K856 WeakPolarHBondContact O-CE 3.46Å; G778-K856 PolarHBondContact O-NZ 2.73Å; G778-E954 WeakPolarHBondContact CA-OE1 3.32Å
779	M	97.4	Very high	97.9	Very high	5 Å²	5	19 Å²	19	3%	0.025	10%	0.101	C	C	.	.			trans	-77.5	89.9	175	-65.5	-68.6	163.7	0	0	109.6	E954 E955 P990 A991 H998	M779-E954 HydrophobicContact CB-CB 4.06Å; M779-E954 HydrophobicContact CB-CG 3.84Å; M779-E954 HydrophobicContact CG-CB 4.12Å; M779-E954 HydrophobicContact CG-CG 3.75Å; M779-E954 PolarHBondContact N-OE1 2.88Å; M779-E955 HydrophobicContact CE-CB 4.24Å; M779-E955 HydrophobicContact CE-CG 3.92Å; M779-P990 WeakPolarHBondContact CE-O 3.41Å; M779-A991 HydrophobicContact SD-CB 3.91Å; M779-H998 PolarHBondContact O-CE1 3.04Å; M779-H998 VanDerWaalsContact O-CE1 3.23Å
780	E	97	Very high	98.1	Very high	50 Å²	50	21.2 Å²	21.2	23%	0.234	11%	0.109	C	C	.	.	S	Bend	trans	-117.2	10.9	-172.5	-65	177.2	177	0	0	113.1	G778 K856 S857 K903	G778-E780 PolarHBondContact O-N 3.24Å; G778-E780 VanDerWaalsContact O-N 3.09Å; E780-K856 WeakPolarHBondContact OE2-CB 3.31Å; E780-S857 WeakPolarHBondContact OE1-CB 3.41Å; E780-S857 PolarHBondContact OE1-N 3.43Å; E780-S857 PolarHBondContact OE1-OG 2.58Å; E780-K903 HydrophobicContact CG-CD 4.17Å
781	G	96.3	Very high	98.2	Very high	16 Å²	16	20.8 Å²	20.8	17%	0.165	11%	0.105	C	C	.	.	S	Bend	trans	76.3	22.7	177	0	0	0	0	0	114.4	H998	G781-H998 PolarHBondContact N-CE1 3.44Å; G781-H998 PolarHBondContact N-NE2 3.22Å
782	M	96.5	Very high	98.2	Very high	94 Å²	94	22.9 Å²	22.9	46%	0.463	11%	0.114	S	C	.	.	S	Bend	trans	-86.3	-5.5	179.8	-64.8	-175.1	64	0	0	114.3	F743 H786	F743-M782 HydrophobicContact CE1-CE 3.85Å; F743-M782 HydrophobicContact CE1-SD 4.23Å; F743-M782 HydrophobicContact CZ-CE 3.79Å; M782-H786 HydrophobicContact CB-CB 3.7Å; M782-H786 HydrophobicContact CE-CB 4.27Å
783	G	97.4	Very high	98.1	Very high	5 Å²	5	26.6 Å²	26.6	5%	0.052	13%	0.128	C	C	.	.			trans	99	174.7	-177.5	0	0	0	0	0	114	E785 H786 S787	G783-E785 VanDerWaalsContact C-N 3.35Å; G783-E785 PolarHBondContact O-N 3.15Å; G783-H786 PolarHBondContact O-N 3.48Å; G783-S787 PolarHBondContact O-OG 3.23Å
784	P	97.6	Very high	98.1	Very high	29 Å²	29	26.6 Å²	26.6	19%	0.188	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-25.8	-163.9	10.4	-14.1	0	0	0	116.1	A989 P990 A991	P784-A989 HydrophobicContact CB-CB 4.23Å; P784-P990 VanDerWaalsContact O-CB 3.31Å; P784-P990 WeakPolarHBondContact O-CB 3.23Å; P784-P990 VanDerWaalsContact O-CG 3.29Å; P784-P990 WeakPolarHBondContact O-CG 3.47Å; P784-A991 WeakPolarHBondContact CB-O 3.33Å
785	E	98.1	Very high	98.1	Very high	108 Å²	108	26.8 Å²	26.8	51%	0.505	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	11.5	-177.5	-58.7	68.1	-147.1	0	0	113.3	D745 F746 G783	D745-E785 WeakPolarHBondContact CB-O 3.33Å; F746-E785 HydrophobicContact CE1-CB 4.47Å; G783-E785 VanDerWaalsContact C-N 3.35Å; G783-E785 PolarHBondContact O-N 3.15Å
786	H	98.4	Very high	98.1	Very high	64 Å²	64	34.7 Å²	34.7	30%	0.296	17%	0.166	S	C	.	.	S	Bend	trans	-136.9	27.3	-177.6	-62.5	85.5	0	0	0	112.1	F743 D745 M782 G783 K856	F743-H786 HydrophobicContact CD1-CB 3.94Å; F743-H786 AromaticContact CD1-CD2 3.93Å; F743-H786 AromaticContact CD2-CD2 3.84Å; F743-H786 HydrophobicContact CE1-CB 3.92Å; F743-H786 AromaticContact CE1-CD2 3.82Å; F743-H786 AromaticContact CE2-CD2 3.75Å; F743-H786 AromaticContact CG-CD2 3.95Å; F743-H786 AromaticContact CZ-CD2 3.73Å; D745-H786 PolarHBondContact OD1-N 3.39Å; M782-H786 HydrophobicContact CB-CB 3.7Å; M782-H786 HydrophobicContact CE-CB 4.27Å; G783-H786 PolarHBondContact O-N 3.48Å; H786-K856 PolarHBondContact O-NZ 3.09Å
787	S	98.4	Very high	98	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.176	C	C	.	.	S	Bend	trans	-134.2	-45	-169.4	-63	0	0	0	0	114.5	D745 H777 G778 G783 A991	D745-S787 VanDerWaalsContact CG-N 3.32Å; D745-S787 PolarHBondContact OD1-N 2.65Å; D745-S787 PolarHBondContact OD2-N 3.27Å; H777-S787 PolarHBondContact ND1-O 2.84Å; G778-S787 CarbonylContact C-O 3.57Å; G778-S787 PolarHBondContact N-O 2.91Å; G783-S787 PolarHBondContact O-OG 3.23Å; S787-A991 VanDerWaalsContact OG-CB 3.31Å; S787-A991 WeakPolarHBondContact OG-CB 3.35Å
788	S	98.6	Very high	98	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.007	18%	0.18	C	C	.	.			trans	-122.2	117.1	-171	-166.9	0	0	0	0	113.6	D745 R790	D745-S788 VanDerWaalsContact CA-O 3.29Å; D745-S788 WeakPolarHBondContact CA-O 3.39Å; D745-S788 VanDerWaalsContact CG-O 3.29Å; D745-S788 PolarHBondContact OD1-N 3.28Å; D745-S788 PolarHBondContact OD2-N 2.89Å; S788-R790 PolarHBondContact O-N 3.37Å; S788-R790 PolarHBondContact OG-N 3.45Å; S788-R790 VanDerWaalsContact OG-N 3.09Å
789	A	98.6	Very high	97.8	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.203	C	C	.	.			trans	-66.2	1	164.4	0	0	0	0	0	114.1	N747 L775 H777 F853	N747-A789 PolarHBondContact ND2-O 3.46Å; L775-A789 HydrophobicContact CB-CB 3.81Å; L775-A789 HydrophobicContact CD1-CB 4.37Å; H777-A789 HydrophobicContact CB-CB 4.11Å; A789-F853 HydrophobicContact CB-CD1 3.48Å; A789-F853 VanDerWaalsContact CB-CD1 3.48Å; A789-F853 HydrophobicContact CB-CE1 3.7Å
790	R	98.6	Very high	97.5	Very high	55 Å²	55	43.1 Å²	43.1	21%	0.208	21%	0.212	C	C	.	.			trans	55.3	53.5	-173.8	-59.7	-168.5	162.6	-78.3	6.6	113.4	S788 E792 R793	S788-R790 PolarHBondContact O-N 3.37Å; S788-R790 PolarHBondContact OG-N 3.45Å; S788-R790 VanDerWaalsContact OG-N 3.09Å; R790-E792 WeakPolarHBondContact CA-OE1 3.38Å; R790-E792 WeakPolarHBondContact CA-OE2 3.21Å; R790-E792 WeakPolarHBondContact CB-OE1 3.42Å; R790-E792 WeakPolarHBondContact CG-OE1 3.49Å; R790-E792 IonicContact CZ-OE1 3.92Å; R790-E792 IonicContact NH1-OE1 2.75Å; R790-E792 PolarHBondContact NH1-OE1 3.14Å; R790-E792 PolarHBondContact O-N 3.07Å; R790-R793 WeakPolarHBondContact O-CB 3.4Å; R790-R793 PolarHBondContact O-N 3.43Å
791	P	98.6	Very high	97.3	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-53.3	-28.7	176.5	27.3	-38.6	0	0	0	112.8	R793 F794 L795 F853 Y961	P791-R793 PolarHBondContact O-N 3.16Å; P791-R793 VanDerWaalsContact O-N 3.14Å; P791-F794 PolarHBondContact O-N 3.36Å; P791-L795 HydrophobicContact CB-CD1 4.49Å; P791-L795 WeakPolarHBondContact O-CB 3.34Å; P791-L795 VanDerWaalsContact O-CG 3.32Å; P791-L795 WeakPolarHBondContact O-CG 3.46Å; P791-L795 PolarHBondContact O-N 2.74Å; P791-F853 VanDerWaalsContact CA-CZ 3.5Å; P791-F853 HydrophobicContact CB-CD2 4.23Å; P791-F853 HydrophobicContact CB-CE1 4Å; P791-F853 HydrophobicContact CB-CE2 3.58Å; P791-F853 HydrophobicContact CB-CZ 3.48Å; P791-F853 VanDerWaalsContact CB-CZ 3.48Å; P791-Y961 HydrophobicContact CB-CD1 4.07Å; P791-Y961 HydrophobicContact CB-CE1 3.35Å; P791-Y961 HydrophobicContact CG-CD1 4.38Å; P791-Y961 HydrophobicContact CG-CE1 3.77Å; P791-Y961 HydrophobicContact CG-CE2 4.23Å
792	E	98.6	Very high	97.3	Very high	43 Å²	43	46 Å²	46	20%	0.201	23%	0.227	C	C	.	.	H	α-helix	trans	-55.9	-31.9	176.9	67.2	-81.5	177.9	0	0	113	R790 Q796 G960	R790-E792 WeakPolarHBondContact CA-OE1 3.38Å; R790-E792 WeakPolarHBondContact CA-OE2 3.21Å; R790-E792 WeakPolarHBondContact CB-OE1 3.42Å; R790-E792 WeakPolarHBondContact CG-OE1 3.49Å; R790-E792 IonicContact CZ-OE1 3.92Å; R790-E792 IonicContact NH1-OE1 2.75Å; R790-E792 PolarHBondContact NH1-OE1 3.14Å; R790-E792 PolarHBondContact O-N 3.07Å; E792-Q796 WeakPolarHBondContact O-CB 3.45Å; E792-Q796 PolarHBondContact O-N 2.73Å; E792-G960 WeakPolarHBondContact CA-O 3.48Å; E792-G960 PolarHBondContact N-O 3.5Å; E792-G960 VanDerWaalsContact N-O 3.14Å; E792-G960 PolarHBondContact OE2-N 2.94Å
793	R	98.6	Very high	97.2	Very high	78 Å²	78	46.2 Å²	46.2	29%	0.294	23%	0.23	S	C	.	.	H	α-helix	trans	-77.5	-46.2	-179.3	-173.8	174.2	-64.1	165	-0.4	111.9	Q751 R790 P791 L795 Q796 M797	Q751-R793 VanDerWaalsContact OE1-CD 3.24Å; R790-R793 WeakPolarHBondContact O-CB 3.4Å; R790-R793 PolarHBondContact O-N 3.43Å; P791-R793 PolarHBondContact O-N 3.16Å; P791-R793 VanDerWaalsContact O-N 3.14Å; R793-L795 VanDerWaalsContact C-N 3.26Å; R793-L795 PolarHBondContact O-N 2.8Å; R793-Q796 PolarHBondContact O-N 3.09Å; R793-M797 HydrophobicContact CG-SD 4.07Å; R793-M797 WeakPolarHBondContact O-CG 3.37Å; R793-M797 PolarHBondContact O-N 2.98Å
794	F	98.8	Very high	97	Very high	1 Å²	1	49.7 Å²	49.7	0%	0.004	25%	0.25	C	S	.	.	H	α-helix	trans	-61.4	-38.5	176.5	-67.9	-83.8	0	0	0	111.5	N747 I754 L775 P791 M797 C798 W823 I851 F853	N747-F794 WeakPolarHBondContact OD1-CZ 3.19Å; I754-F794 HydrophobicContact CD1-CE1 4.26Å; I754-F794 HydrophobicContact CD1-CZ 4.06Å; I754-F794 HydrophobicContact CG2-CD1 4.41Å; I754-F794 HydrophobicContact CG2-CE1 3.81Å; L775-F794 HydrophobicContact CD1-CE1 4.45Å; L775-F794 HydrophobicContact CD1-CE2 3.66Å; L775-F794 HydrophobicContact CD1-CZ 3.6Å; P791-F794 PolarHBondContact O-N 3.36Å; F794-M797 PolarHBondContact O-N 2.91Å; F794-C798 PolarHBondContact O-N 2.79Å; F794-C798 PolarHBondContact O-SG 2.61Å; F794-W823 HydrophobicContact CB-CZ2 4.14Å; F794-W823 AromaticContact CD1-CH2 3.6Å; F794-W823 HydrophobicContact CD1-CH2 3.6Å; F794-W823 AromaticContact CD1-CZ2 3.81Å; F794-W823 HydrophobicContact CD1-CZ2 3.81Å; F794-W823 HydrophobicContact CD1-CZ3 4.17Å; F794-W823 HydrophobicContact CE1-CH2 4.19Å; F794-W823 HydrophobicContact CG-CZ2 4.44Å; F794-W823 WeakPolarHBondContact O-CZ2 3.05Å; F794-W823 PolarHBondContact O-NE1 2.83Å; F794-I851 HydrophobicContact CD1-CB 4.44Å; F794-I851 HydrophobicContact CD1-CD1 3.87Å; F794-I851 HydrophobicContact CD1-CG1 3.79Å; F794-I851 HydrophobicContact CD1-CG2 3.86Å; F794-I851 HydrophobicContact CD2-CG2 4.29Å; F794-I851 HydrophobicContact CE1-CD1 3.83Å; F794-I851 HydrophobicContact CE1-CG1 4.23Å; F794-I851 HydrophobicContact CE1-CG2 4.08Å; F794-I851 HydrophobicContact CE2-CG2 4.49Å; F794-I851 HydrophobicContact CG-CG1 4.49Å; F794-I851 HydrophobicContact CG-CG2 3.97Å; F794-I851 HydrophobicContact CZ-CG2 4.39Å; F794-F853 HydrophobicContact CB-CZ 4.41Å; F794-F853 HydrophobicContact CD2-CE1 4.1Å; F794-F853 AromaticContact CD2-CZ 3.99Å; F794-F853 HydrophobicContact CD2-CZ 3.99Å; F794-F853 HydrophobicContact CE2-CE1 4.4Å; F794-F853 HydrophobicContact CG-CZ 4.4Å
795	L	98.6	Very high	96.9	Very high	3 Å²	3	52.1 Å²	52.1	2%	0.016	26%	0.261	C	S	.	.	H	α-helix	trans	-76.2	-34	179.3	-68.5	172.8	0	0	0	113.2	P791 R793 M797 C798 V825 L929 Y961 Y964	P791-L795 HydrophobicContact CB-CD1 4.49Å; P791-L795 WeakPolarHBondContact O-CB 3.34Å; P791-L795 VanDerWaalsContact O-CG 3.32Å; P791-L795 WeakPolarHBondContact O-CG 3.46Å; P791-L795 PolarHBondContact O-N 2.74Å; R793-L795 VanDerWaalsContact C-N 3.26Å; R793-L795 PolarHBondContact O-N 2.8Å; L795-M797 PolarHBondContact O-N 3.48Å; L795-C798 PolarHBondContact O-N 2.83Å; L795-V825 HydrophobicContact CD2-CB 4.07Å; L795-V825 HydrophobicContact CD2-CG1 3.81Å; L795-V825 HydrophobicContact CD2-CG2 4.33Å; L795-V825 HydrophobicContact CG-CG1 4.31Å; L795-L929 HydrophobicContact CD1-CD1 4.03Å; L795-L929 HydrophobicContact CD2-CB 3.97Å; L795-Y961 HydrophobicContact CD1-CD1 3.57Å; L795-Y961 HydrophobicContact CD1-CE1 4.09Å; L795-Y964 HydrophobicContact CB-CD1 4.4Å; L795-Y964 HydrophobicContact CB-CD2 3.63Å; L795-Y964 HydrophobicContact CB-CE2 4.23Å; L795-Y964 HydrophobicContact CB-CG 3.73Å; L795-Y964 HydrophobicContact CD1-CD1 4.27Å; L795-Y964 HydrophobicContact CD1-CG 4.25Å; L795-Y964 HydrophobicContact CD2-CD1 3.95Å; L795-Y964 HydrophobicContact CD2-CD2 4.2Å; L795-Y964 HydrophobicContact CD2-CE1 3.89Å; L795-Y964 HydrophobicContact CD2-CE2 4.12Å; L795-Y964 HydrophobicContact CD2-CG 4.13Å; L795-Y964 HydrophobicContact CG-CD1 4.44Å; L795-Y964 HydrophobicContact CG-CD2 4.43Å; L795-Y964 HydrophobicContact CG-CG 4.25Å; L795-Y964 WeakPolarHBondContact O-CD2 3.36Å; L795-Y964 WeakPolarHBondContact O-CE2 3.43Å
796	Q	98.3	Very high	96.7	Very high	166 Å²	166	49 Å²	49	78%	0.776	25%	0.25	S	C	*	.	H	α-helix	trans	-60.3	-25.8	169.8	174.5	170.8	52.7	0	0	112.7	E792 R793	E792-Q796 WeakPolarHBondContact O-CB 3.45Å; E792-Q796 PolarHBondContact O-N 2.73Å; R793-Q796 PolarHBondContact O-N 3.09Å
797	M	97.8	Very high	96.4	Very high	43 Å²	43	50.8 Å²	50.8	21%	0.212	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	9.7	-177.3	-68.5	164.2	60.7	0	0	113.5	I754 D755 C759 R793 F794 L795 N822 W823	I754-M797 HydrophobicContact CG2-CE 4.4Å; D755-M797 HydrophobicContact CB-CE 4.35Å; D755-M797 VanDerWaalsContact OD1-CE 3.3Å; D755-M797 WeakPolarHBondContact OD1-CE 2.68Å; C759-M797 HydrophobicContact CB-CE 3.67Å; R793-M797 HydrophobicContact CG-SD 4.07Å; R793-M797 WeakPolarHBondContact O-CG 3.37Å; R793-M797 PolarHBondContact O-N 2.98Å; F794-M797 PolarHBondContact O-N 2.91Å; L795-M797 PolarHBondContact O-N 3.48Å; M797-N822 PolarHBondContact O-ND2 3.25Å; M797-W823 HydrophobicContact CB-CH2 4.45Å; M797-W823 HydrophobicContact CB-CZ2 3.77Å; M797-W823 HydrophobicContact CE-CH2 3.78Å; M797-W823 HydrophobicContact CE-CZ2 4.21Å
798	C	97.5	Very high	96.2	Very high	17 Å²	17	53.3 Å²	53.3	12%	0.115	28%	0.275	C	S	.	.			trans	-73	148.7	169	-66	0	0	0	0	111.2	F794 L795 D800 N822 W823 S930 Y964	F794-C798 PolarHBondContact O-N 2.79Å; F794-C798 PolarHBondContact O-SG 2.61Å; L795-C798 PolarHBondContact O-N 2.83Å; C798-D800 WeakPolarHBondContact CB-OD1 3.25Å; C798-N822 WeakPolarHBondContact CA-OD1 3.34Å; C798-W823 PolarHBondContact SG-NE1 3.2Å; C798-S930 WeakPolarHBondContact SG-CB 3.35Å; C798-S930 PolarHBondContact SG-OG 2.81Å; C798-Y964 HydrophobicContact CB-CE2 3.93Å
799	N	94	Very high	95.9	Very high	95 Å²	95	61.9 Å²	61.9	51%	0.508	32%	0.315	S	S	.	.			trans	-92	11.7	-176.3	67.8	-39.2	0	0	0	115.3	D820 C821 N822	N799-D820 PolarHBondContact ND2-O 2.76Å; N799-C821 VanDerWaalsContact OD1-CA 3.28Å; N799-C821 WeakPolarHBondContact OD1-CA 3.43Å; N799-N822 HydrophobicContact CB-CB 4.38Å; N799-N822 PolarHBondContact N-OD1 3.15Å; N799-N822 PolarHBondContact OD1-N 3.01Å; N799-N822 PolarHBondContact OD1-OD1 2.85Å; N799-N822 VanDerWaalsContact OD1-OD1 3.12Å
800	D	91.1	Very high	95.5	Very high	38 Å²	38	66 Å²	66	20%	0.203	33%	0.334	C	S	.	.			trans	-93	138	-178.2	72.6	-52	0	0	0	113.1	C798 Y964 R968	C798-D800 WeakPolarHBondContact CB-OD1 3.25Å; D800-Y964 PolarHBondContact OD1-OH 2.98Å; D800-Y964 PolarHBondContact OD2-OH 2.98Å; D800-R968 PolarHBondContact O-NH2 3.44Å; D800-R968 IonicContact OD1-CZ 3.45Å; D800-R968 IonicContact OD1-NE 2.73Å; D800-R968 IonicContact OD1-NH2 3.69Å; D800-R968 PolarHBondContact OD1-NH2 2.85Å; D800-R968 IonicContact OD2-CZ 3.7Å; D800-R968 IonicContact OD2-NE 3.78Å; D800-R968 PolarHBondContact OD2-NE 3.35Å; D800-R968 IonicContact OD2-NH2 2.67Å; D800-R968 PolarHBondContact OD2-NH2 3.18Å
801	D	93.4	Very high	95	Very high	90 Å²	90	71 Å²	71	48%	0.481	36%	0.36	S	S	.	.			trans	-78.8	124.5	-179.7	-171.5	-45.6	0	0	0	110.9	D803 V804	D801-D803 PolarHBondContact OD1-N 3.02Å; D801-V804 HydrophobicContact CB-CB 4.1Å; D801-V804 HydrophobicContact CB-CG2 4Å; D801-V804 PolarHBondContact OD1-N 3.38Å
802	P	95.7	Very high	94.6	Very high	36 Å²	36	73.9 Å²	73.9	23%	0.234	38%	0.375	C	S	.	.	S	Bend	trans	-77.9	-16.4	-177	33.1	-37.6	0	0	0	115.3	P967 R968 T971	P802-P967 HydrophobicContact CB-CB 3.97Å; P802-P967 HydrophobicContact CB-CG 3.82Å; P802-R968 HydrophobicContact CB-CG 3.99Å; P802-T971 WeakPolarHBondContact O-CB 3.39Å; P802-T971 PolarHBondContact O-OG1 3Å
803	D	94.8	Very high	94.4	Very high	98 Å²	98	72.5 Å²	72.5	52%	0.524	37%	0.368	S	S	.	.	S	Bend	trans	-101	-7.9	-178.3	-74.4	-61.4	0	0	0	112.4	D801 R975	D801-D803 PolarHBondContact OD1-N 3.02Å; D803-R975 IonicContact OD1-CZ 2.73Å; D803-R975 IonicContact OD1-NH1 2.67Å; D803-R975 PolarHBondContact OD1-NH1 3.19Å; D803-R975 IonicContact OD1-NH2 3.18Å; D803-R975 PolarHBondContact OD1-NH2 2.84Å
804	V	93.9	Very high	94.1	Very high	79 Å²	79	71.6 Å²	71.6	48%	0.479	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-96.3	133.6	173.6	177	0	0	0	0	111.6	D801	D801-V804 HydrophobicContact CB-CB 4.1Å; D801-V804 HydrophobicContact CB-CG2 4Å; D801-V804 PolarHBondContact OD1-N 3.38Å
805	L	94.1	Very high	93.9	Very high	80 Å²	80	72.1 Å²	72.1	42%	0.419	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-92.8	120.7	165.3	-170.8	72.8	0	0	0	108.6	L808 F934 T971	L805-L808 HydrophobicContact CD1-CD1 4.37Å; L805-L808 HydrophobicContact CD2-CD1 4.48Å; L805-F934 HydrophobicContact CD1-CB 4.25Å; L805-F934 HydrophobicContact CD1-CD1 3.7Å; L805-F934 HydrophobicContact CD1-CE1 4.38Å; L805-F934 HydrophobicContact CD1-CG 4.23Å; L805-T971 HydrophobicContact CB-CG2 4.18Å
806	P	93.8	Very high	93.7	Very high	41 Å²	41	73 Å²	73	27%	0.266	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-74.6	166.5	176.7	33.5	-36.9	0	0	0	111.3	L808 F813 F934	P806-L808 HydrophobicContact CG-CD2 4.17Å; P806-L808 WeakPolarHBondContact O-CD2 3.33Å; P806-L808 WeakPolarHBondContact O-CG 3.35Å; P806-L808 PolarHBondContact O-N 2.86Å; P806-F813 HydrophobicContact CB-CE2 3.97Å; P806-F813 HydrophobicContact CG-CE2 3.78Å; P806-F813 HydrophobicContact CG-CZ 3.91Å; P806-F934 HydrophobicContact CG-CD2 3.75Å; P806-F934 HydrophobicContact CG-CE2 4.11Å; P806-F934 HydrophobicContact CG-CG 4.27Å
807	D	93.5	Very high	93.5	Very high	103 Å²	103	66.2 Å²	66.2	55%	0.551	35%	0.345	S	S	*	.			trans	-72.5	100.7	-178.8	-169.3	-7.2	0	0	0	111.7	Q809 E810 F813	D807-Q809 PolarHBondContact O-N 2.81Å; D807-Q809 VanDerWaalsContact O-N 3.11Å; D807-Q809 WeakPolarHBondContact OD1-CB 3.32Å; D807-Q809 PolarHBondContact OD1-N 3.43Å; D807-E810 VanDerWaalsContact O-CB 3.31Å; D807-E810 WeakPolarHBondContact O-CB 3.31Å; D807-E810 PolarHBondContact O-N 3.19Å; D807-F813 VanDerWaalsContact O-CD2 3.25Å; D807-F813 WeakPolarHBondContact O-CD2 3.47Å
808	L	93.1	Very high	93.4	Very high	52 Å²	52	64.2 Å²	64.2	27%	0.272	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	1.4	-179.7	-46.7	-178.1	0	0	0	113.5	L805 P806 F813 F934 D935 L938	L805-L808 HydrophobicContact CD1-CD1 4.37Å; L805-L808 HydrophobicContact CD2-CD1 4.48Å; P806-L808 HydrophobicContact CG-CD2 4.17Å; P806-L808 WeakPolarHBondContact O-CD2 3.33Å; P806-L808 WeakPolarHBondContact O-CG 3.35Å; P806-L808 PolarHBondContact O-N 2.86Å; L808-F813 HydrophobicContact CD2-CE1 4.3Å; L808-F813 HydrophobicContact CD2-CE2 3.9Å; L808-F813 HydrophobicContact CD2-CZ 3.6Å; L808-F934 HydrophobicContact CD2-CB 3.76Å; L808-D935 HydrophobicContact CD2-CB 4.22Å; L808-L938 HydrophobicContact CD1-CD2 3.72Å
809	Q	91.6	Very high	93.3	Very high	182 Å²	182	64.6 Å²	64.6	85%	0.85	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	0.4	174.3	-53.9	-171.8	27.4	0	0	112.9	D807	D807-Q809 PolarHBondContact O-N 2.81Å; D807-Q809 VanDerWaalsContact O-N 3.11Å; D807-Q809 WeakPolarHBondContact OD1-CB 3.32Å; D807-Q809 PolarHBondContact OD1-N 3.43Å
810	E	91.6	Very high	93.2	Very high	85 Å²	85	64.5 Å²	64.5	40%	0.397	33%	0.334	S	S	.	.	S	Bend	trans	-61.9	137.7	178.6	-170.8	-173.9	-175.8	0	0	112.6	D807 N812 F813 N816	D807-E810 VanDerWaalsContact O-CB 3.31Å; D807-E810 WeakPolarHBondContact O-CB 3.31Å; D807-E810 PolarHBondContact O-N 3.19Å; E810-N812 PolarHBondContact O-N 3.43Å; E810-F813 HydrophobicContact CB-CB 4.24Å; E810-F813 HydrophobicContact CB-CD2 4.38Å; E810-F813 WeakPolarHBondContact O-CB 3.43Å; E810-F813 PolarHBondContact O-N 3.1Å; E810-N816 VanDerWaalsContact CD-ND2 3.29Å; E810-N816 PolarHBondContact OE1-ND2 3.46Å
811	E	88.6	Confident	93.4	Very high	161 Å²	161	63 Å²	63	75%	0.752	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	124.7	177.7	-156.9	-166.5	148.4	0	0	110.9	F813 N816	E811-F813 VanDerWaalsContact C-N 3.26Å; E811-F813 PolarHBondContact O-N 3.39Å; E811-N816 PolarHBondContact O-ND2 3.02Å; E811-N816 VanDerWaalsContact O-ND2 3.16Å
812	N	89.7	Confident	93.5	Very high	61 Å²	61	59.8 Å²	59.8	33%	0.326	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.2	25.6	-172.9	-45.1	-78.3	0	0	0	114.4	M598 E810 D814 I815 N816	M598-N812 WeakPolarHBondContact O-CB 3.25Å; E810-N812 PolarHBondContact O-N 3.43Å; N812-D814 PolarHBondContact O-N 2.69Å; N812-I815 HydrophobicContact CB-CB 4.42Å; N812-I815 WeakPolarHBondContact O-CA 3.09Å; N812-I815 PolarHBondContact O-N 2.74Å; N812-N816 PolarHBondContact O-N 3.15Å; N812-N816 PolarHBondContact O-OD1 2.86Å
813	F	93.1	Very high	93.6	Very high	13 Å²	13	58.1 Å²	58.1	6%	0.057	30%	0.299	C	S	.	.	H	α-helix	trans	-32.1	-49.3	175	172.7	-99.8	0	0	0	115.3	P806 D807 L808 E810 E811 I815 N816 Q817 D935	P806-F813 HydrophobicContact CB-CE2 3.97Å; P806-F813 HydrophobicContact CG-CE2 3.78Å; P806-F813 HydrophobicContact CG-CZ 3.91Å; D807-F813 VanDerWaalsContact O-CD2 3.25Å; D807-F813 WeakPolarHBondContact O-CD2 3.47Å; L808-F813 HydrophobicContact CD2-CE1 4.3Å; L808-F813 HydrophobicContact CD2-CE2 3.9Å; L808-F813 HydrophobicContact CD2-CZ 3.6Å; E810-F813 HydrophobicContact CB-CB 4.24Å; E810-F813 HydrophobicContact CB-CD2 4.38Å; E810-F813 WeakPolarHBondContact O-CB 3.43Å; E810-F813 PolarHBondContact O-N 3.1Å; E811-F813 VanDerWaalsContact C-N 3.26Å; E811-F813 PolarHBondContact O-N 3.39Å; F813-I815 VanDerWaalsContact C-N 3.34Å; F813-I815 PolarHBondContact O-N 3.11Å; F813-N816 PolarHBondContact O-N 3.01Å; F813-Q817 HydrophobicContact CD2-CG 4.44Å; F813-Q817 HydrophobicContact CE1-CG 4.26Å; F813-Q817 HydrophobicContact CE2-CG 4.08Å; F813-Q817 VanDerWaalsContact CZ-CD 3.4Å; F813-Q817 HydrophobicContact CZ-CG 3.98Å; F813-Q817 WeakPolarHBondContact O-CB 3.45Å; F813-Q817 WeakPolarHBondContact O-CG 3.43Å; F813-Q817 PolarHBondContact O-N 2.84Å; F813-D935 HydrophobicContact CD1-CB 4.23Å; F813-D935 HydrophobicContact CE1-CB 3.81Å
814	D	92.4	Very high	93.8	Very high	59 Å²	59	53.4 Å²	53.4	32%	0.316	27%	0.274	S	S	.	.	H	α-helix	trans	-76.5	-19.3	-175.3	74.9	-44.1	0	0	0	114.2	N812 L818 R879	N812-D814 PolarHBondContact O-N 2.69Å; D814-L818 VanDerWaalsContact O-CD1 3.22Å; D814-L818 WeakPolarHBondContact O-CD1 3.48Å; D814-L818 WeakPolarHBondContact O-CG 3.38Å; D814-R879 IonicContact OD2-NE 3.82Å
815	I	95.3	Very high	94	Very high	12 Å²	12	49.7 Å²	49.7	6%	0.062	25%	0.251	C	S	.	.	H	α-helix	trans	-85	-37.2	169.1	-52.5	-57	0	0	0	110.7	M598 C600 N812 F813 L818 Y819 L844 F846	M598-I815 HydrophobicContact CE-CG2 4.45Å; C600-I815 HydrophobicContact CB-CD1 3.71Å; N812-I815 HydrophobicContact CB-CB 4.42Å; N812-I815 WeakPolarHBondContact O-CA 3.09Å; N812-I815 PolarHBondContact O-N 2.74Å; F813-I815 VanDerWaalsContact C-N 3.34Å; F813-I815 PolarHBondContact O-N 3.11Å; I815-L818 HydrophobicContact CD1-CD1 4.43Å; I815-L818 CarbonylContact O-C 3.52Å; I815-L818 WeakPolarHBondContact O-CB 3.38Å; I815-L818 PolarHBondContact O-N 2.54Å; I815-Y819 PolarHBondContact O-N 3.47Å; I815-L844 HydrophobicContact CD1-CD2 4.35Å; I815-F846 HydrophobicContact CG2-CE1 3.84Å; I815-F846 HydrophobicContact CG2-CZ 4.19Å
816	N	94.2	Very high	94.3	Very high	21 Å²	21	45.9 Å²	45.9	11%	0.112	23%	0.231	C	C	.	.	H	α-helix	trans	-65	-48.2	177.5	-57.9	-1.8	0	0	0	110	M598 E810 E811 N812 F813 L818 Y819 D820	M598-N816 HydrophobicContact CE-CB 4.44Å; M598-N816 VanDerWaalsContact CE-OD1 3.24Å; M598-N816 WeakPolarHBondContact CE-OD1 3.32Å; E810-N816 VanDerWaalsContact CD-ND2 3.29Å; E810-N816 PolarHBondContact OE1-ND2 3.46Å; E811-N816 PolarHBondContact O-ND2 3.02Å; E811-N816 VanDerWaalsContact O-ND2 3.16Å; N812-N816 PolarHBondContact O-N 3.15Å; N812-N816 PolarHBondContact O-OD1 2.86Å; F813-N816 PolarHBondContact O-N 3.01Å; N816-L818 PolarHBondContact O-N 3.14Å; N816-L818 VanDerWaalsContact O-N 3.16Å; N816-Y819 CarbonylContact O-C 3.23Å; N816-Y819 WeakPolarHBondContact O-CA 3.4Å; N816-Y819 WeakPolarHBondContact O-CB 3.42Å; N816-Y819 PolarHBondContact O-N 2.83Å; N816-D820 VanDerWaalsContact O-CG 3.26Å; N816-D820 PolarHBondContact O-N 3.1Å
817	Q	94.5	Very high	94.5	Very high	25 Å²	25	44.5 Å²	44.5	12%	0.117	22%	0.221	C	C	.	.	H	α-helix	trans	-51.7	-40.3	170	-79.4	-160.1	-39.8	0	0	113.3	F813 Y819 C821 P931 F932	F813-Q817 HydrophobicContact CD2-CG 4.44Å; F813-Q817 HydrophobicContact CE1-CG 4.26Å; F813-Q817 HydrophobicContact CE2-CG 4.08Å; F813-Q817 VanDerWaalsContact CZ-CD 3.4Å; F813-Q817 HydrophobicContact CZ-CG 3.98Å; F813-Q817 WeakPolarHBondContact O-CB 3.45Å; F813-Q817 WeakPolarHBondContact O-CG 3.43Å; F813-Q817 PolarHBondContact O-N 2.84Å; Q817-Y819 VanDerWaalsContact C-N 3.33Å; Q817-C821 WeakPolarHBondContact O-CB 3.48Å; Q817-C821 PolarHBondContact O-N 2.96Å; Q817-C821 VanDerWaalsContact O-N 3.09Å; Q817-P931 HydrophobicContact CB-CB 3.76Å; Q817-P931 HydrophobicContact CB-CG 3.95Å; Q817-P931 HydrophobicContact CG-CB 4.41Å; Q817-P931 VanDerWaalsContact O-CG 3.24Å; Q817-P931 WeakPolarHBondContact O-CG 3.47Å; Q817-F932 PolarHBondContact NE2-O 3.16Å
818	L	96	Very high	94.7	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-70.9	-27.4	176.9	-72.8	168.6	0	0	0	112.2	D814 I815 N816 C821 I824 L844 F846 K848 P931	D814-L818 VanDerWaalsContact O-CD1 3.22Å; D814-L818 WeakPolarHBondContact O-CD1 3.48Å; D814-L818 WeakPolarHBondContact O-CG 3.38Å; I815-L818 HydrophobicContact CD1-CD1 4.43Å; I815-L818 CarbonylContact O-C 3.52Å; I815-L818 WeakPolarHBondContact O-CB 3.38Å; I815-L818 PolarHBondContact O-N 2.54Å; N816-L818 PolarHBondContact O-N 3.14Å; N816-L818 VanDerWaalsContact O-N 3.16Å; L818-C821 PolarHBondContact O-SG 3.25Å; L818-C821 VanDerWaalsContact O-SG 3.36Å; L818-I824 HydrophobicContact CD2-CD1 3.69Å; L818-I824 HydrophobicContact CD2-CG1 3.72Å; L818-I824 HydrophobicContact CD2-CG2 4.23Å; L818-L844 HydrophobicContact CD1-CD2 4.29Å; L818-F846 HydrophobicContact CB-CE2 4.05Å; L818-F846 HydrophobicContact CB-CZ 3.77Å; L818-F846 VanDerWaalsContact O-CE2 3.28Å; L818-F846 WeakPolarHBondContact O-CE2 3.16Å; L818-K848 WeakPolarHBondContact O-CE 3.47Å; L818-K848 WeakPolarHBondContact O-CG 3.29Å; L818-P931 HydrophobicContact CD2-CG 3.89Å; L818-P931 HydrophobicContact CG-CG 4.27Å
819	Y	94.1	Very high	95	Very high	24 Å²	24	37.2 Å²	37.2	9%	0.094	18%	0.183	C	C	.	.	H	α-helix	trans	-77.7	-33.2	174.2	-179.2	-100.1	0	0	0	112.7	Q594 P595 M598 I815 N816 Q817 F846 K848	Q594-Y819 PolarHBondContact OE1-OH 2.92Å; P595-Y819 HydrophobicContact CG-CD2 3.75Å; P595-Y819 HydrophobicContact CG-CE2 3.4Å; M598-Y819 HydrophobicContact CE-CD1 4.45Å; M598-Y819 HydrophobicContact CE-CG 4.05Å; I815-Y819 PolarHBondContact O-N 3.47Å; N816-Y819 CarbonylContact O-C 3.23Å; N816-Y819 WeakPolarHBondContact O-CA 3.4Å; N816-Y819 WeakPolarHBondContact O-CB 3.42Å; N816-Y819 PolarHBondContact O-N 2.83Å; Q817-Y819 VanDerWaalsContact C-N 3.33Å; Y819-F846 HydrophobicContact CD2-CB 4.13Å; Y819-F846 AromaticContact CD2-CD1 3.66Å; Y819-F846 HydrophobicContact CD2-CD1 3.66Å; Y819-F846 HydrophobicContact CD2-CD2 4.35Å; Y819-F846 HydrophobicContact CD2-CE1 4.09Å; Y819-F846 AromaticContact CD2-CG 3.8Å; Y819-F846 HydrophobicContact CD2-CG 3.8Å; Y819-F846 HydrophobicContact CE2-CB 4.45Å; Y819-F846 HydrophobicContact CG-CD1 4.4Å; Y819-F846 HydrophobicContact CG-CE1 4.4Å; Y819-K848 WeakPolarHBondContact O-CE 3.31Å; Y819-K848 PolarHBondContact O-NZ 2.8Å
820	D	92.5	Very high	95.3	Very high	93 Å²	93	29.2 Å²	29.2	50%	0.497	15%	0.146	S	C	.	.	H	α-helix	trans	-85.2	-31.5	-176.4	-57.6	-24.6	0	0	0	113	N799 N816	N799-D820 PolarHBondContact ND2-O 2.76Å; N816-D820 VanDerWaalsContact O-CG 3.26Å; N816-D820 PolarHBondContact O-N 3.1Å
821	C	95.5	Very high	95.7	Very high	8 Å²	8	25.1 Å²	25.1	5%	0.054	13%	0.127	C	C	.	.	S	Bend	trans	-63.5	145.6	-178.5	71.4	0	0	0	0	112.3	N799 Q817 L818 W823 K848 P931	N799-C821 VanDerWaalsContact OD1-CA 3.28Å; N799-C821 WeakPolarHBondContact OD1-CA 3.43Å; Q817-C821 WeakPolarHBondContact O-CB 3.48Å; Q817-C821 PolarHBondContact O-N 2.96Å; Q817-C821 VanDerWaalsContact O-N 3.09Å; L818-C821 PolarHBondContact O-SG 3.25Å; L818-C821 VanDerWaalsContact O-SG 3.36Å; C821-W823 VanDerWaalsContact C-N 3.34Å; C821-K848 WeakPolarHBondContact O-CD 3.17Å; C821-K848 WeakPolarHBondContact O-CE 3.13Å; C821-K848 PolarHBondContact O-NZ 3.12Å; C821-P931 HydrophobicContact CB-CG 3.84Å
822	N	95.9	Very high	96.1	Very high	22 Å²	22	17.6 Å²	17.6	12%	0.118	9%	0.092	C	C	.	.	S	Bend	trans	-67.6	-37.6	175.1	67	-41.7	0	0	0	111.7	C759 M797 C798 N799	C759-N822 PolarHBondContact SG-ND2 2.96Å; M797-N822 PolarHBondContact O-ND2 3.25Å; C798-N822 WeakPolarHBondContact CA-OD1 3.34Å; N799-N822 HydrophobicContact CB-CB 4.38Å; N799-N822 PolarHBondContact N-OD1 3.15Å; N799-N822 PolarHBondContact OD1-N 3.01Å; N799-N822 PolarHBondContact OD1-OD1 2.85Å; N799-N822 VanDerWaalsContact OD1-OD1 3.12Å
823	W	97.8	Very high	96.6	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.078	C	C	.	.			trans	-154	163	173	55.3	20.1	0	0	0	113.5	I754 I758 C759 F794 M797 C798 C821 P849 I851 S930	I754-W823 HydrophobicContact CG2-CH2 3.68Å; I754-W823 HydrophobicContact CG2-CZ3 3.84Å; I758-W823 HydrophobicContact CB-CZ3 4.36Å; I758-W823 HydrophobicContact CG2-CE3 3.92Å; I758-W823 HydrophobicContact CG2-CZ3 4.03Å; C759-W823 HydrophobicContact CB-CE3 4Å; C759-W823 HydrophobicContact CB-CH2 3.65Å; C759-W823 HydrophobicContact CB-CZ2 4.16Å; C759-W823 HydrophobicContact CB-CZ3 3.55Å; F794-W823 HydrophobicContact CB-CZ2 4.14Å; F794-W823 AromaticContact CD1-CH2 3.6Å; F794-W823 HydrophobicContact CD1-CH2 3.6Å; F794-W823 AromaticContact CD1-CZ2 3.81Å; F794-W823 HydrophobicContact CD1-CZ2 3.81Å; F794-W823 HydrophobicContact CD1-CZ3 4.17Å; F794-W823 HydrophobicContact CE1-CH2 4.19Å; F794-W823 HydrophobicContact CG-CZ2 4.44Å; F794-W823 WeakPolarHBondContact O-CZ2 3.05Å; F794-W823 PolarHBondContact O-NE1 2.83Å; M797-W823 HydrophobicContact CB-CH2 4.45Å; M797-W823 HydrophobicContact CB-CZ2 3.77Å; M797-W823 HydrophobicContact CE-CH2 3.78Å; M797-W823 HydrophobicContact CE-CZ2 4.21Å; C798-W823 PolarHBondContact SG-NE1 3.2Å; C821-W823 VanDerWaalsContact C-N 3.34Å; W823-P849 HydrophobicContact CB-CB 4.04Å; W823-P849 HydrophobicContact CB-CG 4.34Å; W823-I851 HydrophobicContact CD2-CG1 4.28Å; W823-I851 HydrophobicContact CE3-CD1 4.13Å; W823-I851 HydrophobicContact CE3-CG1 4.33Å; W823-I851 HydrophobicContact CZ3-CD1 4.37Å; W823-S930 PolarHBondContact O-OG 3Å
824	I	98.7	Very high	96.8	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	133	178.5	-51.8	167.4	0	0	0	108.5	L818 V826 L844 K848 P849 L850 I851 S930	L818-I824 HydrophobicContact CD2-CD1 3.69Å; L818-I824 HydrophobicContact CD2-CG1 3.72Å; L818-I824 HydrophobicContact CD2-CG2 4.23Å; I824-V826 HydrophobicContact CG2-CG1 4.11Å; I824-L844 HydrophobicContact CD1-CD1 4.42Å; I824-K848 HydrophobicContact CD1-CB 3.95Å; I824-K848 HydrophobicContact CG1-CB 4.04Å; I824-P849 PolarHBondContact N-O 3.07Å; I824-L850 HydrophobicContact CB-CD1 3.77Å; I824-L850 HydrophobicContact CG2-CD1 3.59Å; I824-L850 WeakPolarHBondContact O-CA 3.35Å; I824-I851 PolarHBondContact O-N 2.74Å; I824-S930 CarbonylContact C-O 3.56Å; I824-S930 WeakPolarHBondContact CA-O 3.39Å
825	V	98.9	Very high	97.1	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	120.9	-178.3	-176.5	0	0	0	0	110.2	L795 I851 F853 L929 S930	L795-V825 HydrophobicContact CD2-CB 4.07Å; L795-V825 HydrophobicContact CD2-CG1 3.81Å; L795-V825 HydrophobicContact CD2-CG2 4.33Å; L795-V825 HydrophobicContact CG-CG1 4.31Å; V825-I851 HydrophobicContact CG1-CB 4.44Å; V825-I851 HydrophobicContact CG2-CB 4.22Å; V825-I851 HydrophobicContact CG2-CG1 4.19Å; V825-F853 HydrophobicContact CG1-CD2 4.43Å; V825-F853 HydrophobicContact CG1-CE2 3.48Å; V825-F853 VanDerWaalsContact CG1-CE2 3.48Å; V825-F853 HydrophobicContact CG1-CZ 4.09Å; V825-L929 PolarHBondContact O-N 2.97Å; V825-S930 PolarHBondContact N-O 3.15Å; V825-S930 PolarHBondContact O-N 3.26Å
826	V	98.9	Very high	97.3	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	152.5	-175.5	-53.9	0	0	0	0	113.4	I824 V837 L850 I851 V852 F853 F877 E927 Q928	I824-V826 HydrophobicContact CG2-CG1 4.11Å; V826-V837 HydrophobicContact CG1-CG2 4.21Å; V826-V837 HydrophobicContact CG2-CG1 4.5Å; V826-V837 HydrophobicContact CG2-CG2 4.42Å; V826-L850 HydrophobicContact CG1-CD1 4.07Å; V826-L850 HydrophobicContact CG2-CD1 3.96Å; V826-I851 PolarHBondContact N-O 3.35Å; V826-V852 HydrophobicContact CG2-CB 4.17Å; V826-V852 HydrophobicContact CG2-CG1 4.05Å; V826-V852 HydrophobicContact CG2-CG2 3.89Å; V826-F853 WeakPolarHBondContact O-CD2 3.45Å; V826-F853 PolarHBondContact O-N 3.17Å; V826-F877 HydrophobicContact CG1-CZ 4.01Å; V826-E927 CarbonylContact C-O 3.56Å; V826-E927 WeakPolarHBondContact CA-O 3.41Å; V826-E927 WeakPolarHBondContact CB-O 2.96Å; V826-Q928 HydrophobicContact CG1-CB 4.03Å; V826-Q928 HydrophobicContact CG1-CG 4.22Å
827	N	98.8	Very high	97.5	Very high	13 Å²	13	10.2 Å²	10.2	7%	0.07	5%	0.054	C	C	.	.			trans	-137.7	85.6	170.1	-174.5	-10.1	0	0	0	108.8	S829 F853 G902 E927 Y961	N827-S829 PolarHBondContact O-N 3.44Å; N827-F853 HydrophobicContact CB-CB 4.06Å; N827-F853 HydrophobicContact CB-CD2 4.15Å; N827-F853 PolarHBondContact OD1-O 2.95Å; N827-G902 VanDerWaalsContact CG-CA 3.41Å; N827-G902 PolarHBondContact O-N 3.17Å; N827-G902 WeakPolarHBondContact OD1-CA 3.5Å; N827-E927 PolarHBondContact N-O 3.47Å; N827-Y961 PolarHBondContact ND2-OH 2.92Å
828	C	98.6	Very high	97.7	Very high	2 Å²	2	9 Å²	9	1%	0.014	5%	0.048	C	C	.	.			trans	-73.8	123.5	-170	-58	0	0	0	0	112.1	N833 F834 E927	C828-N833 HydrophobicContact CB-CB 4.42Å; C828-F834 HydrophobicContact CB-CB 4.25Å; C828-E927 VanDerWaalsContact CA-OE2 3.29Å; C828-E927 WeakPolarHBondContact CA-OE2 3Å
829	S	98.4	Very high	97.9	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.049	C	C	.	.	S	Bend	trans	-88	-10.7	178.1	68.9	0	0	0	0	114.6	W649 N827 Y906 R925 E927	W649-S829 VanDerWaalsContact CH2-O 3.26Å; W649-S829 WeakPolarHBondContact CH2-O 3.41Å; N827-S829 PolarHBondContact O-N 3.44Å; S829-Y906 PolarHBondContact O-OH 3.39Å; S829-R925 WeakPolarHBondContact OG-CD 3.45Å; S829-R925 PolarHBondContact OG-NH1 2.99Å; S829-E927 WeakPolarHBondContact CB-OE1 3.17Å; S829-E927 PolarHBondContact N-OE1 3.1Å; S829-E927 VanDerWaalsContact N-OE1 3.16Å; S829-E927 PolarHBondContact N-OE2 2.86Å; S829-E927 PolarHBondContact OG-OE1 3.03Å
830	T	98.5	Very high	98.1	Very high	13 Å²	13	8.9 Å²	8.9	8%	0.08	5%	0.047	C	C	.	.	S	Bend	trans	-127.1	153.6	176.8	78.8	0	0	0	0	112.9	G832 N833 F834 I881 R925	T830-G832 PolarHBondContact O-N 2.84Å; T830-N833 PolarHBondContact O-N 2.95Å; T830-N833 PolarHBondContact OG1-N 3.03Å; T830-F834 PolarHBondContact O-N 2.81Å; T830-I881 HydrophobicContact CG2-CD1 4.32Å; T830-R925 VanDerWaalsContact CG2-NH1 3.35Å
831	P	98.6	Very high	98.3	Very high	0 Å²	0	4.5 Å²	4.5	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-61.2	-39.8	174.9	-22.7	33	0	0	0	113.4	V647 W649 A652 N833 F834 F835	V647-P831 HydrophobicContact CG2-CB 3.93Å; W649-P831 HydrophobicContact CD2-CB 4.47Å; W649-P831 HydrophobicContact CD2-CG 4Å; W649-P831 HydrophobicContact CE3-CG 3.69Å; W649-P831 HydrophobicContact CH2-CG 4.14Å; W649-P831 HydrophobicContact CZ2-CG 4.46Å; W649-P831 HydrophobicContact CZ3-CG 3.74Å; A652-P831 HydrophobicContact CB-CB 3.61Å; A652-P831 WeakPolarHBondContact CB-O 3.19Å; P831-N833 VanDerWaalsContact C-N 3.33Å; P831-N833 PolarHBondContact O-N 3.5Å; P831-F834 PolarHBondContact O-N 3.31Å; P831-F835 PolarHBondContact O-N 3.25Å
832	G	98.5	Very high	98.3	Very high	2 Å²	2	4.9 Å²	4.9	2%	0.021	3%	0.025	C	C	.	.	H	α-helix	trans	-60.6	-40.7	179	0	0	0	0	0	113	T830 F834 F835 H836 T866	T830-G832 PolarHBondContact O-N 2.84Å; G832-F834 VanDerWaalsContact C-N 3.33Å; G832-F834 PolarHBondContact O-N 3.24Å; G832-F835 WeakPolarHBondContact O-CB 3.44Å; G832-F835 PolarHBondContact O-N 3.49Å; G832-H836 PolarHBondContact O-CD2 2.92Å; G832-H836 PolarHBondContact O-N 2.85Å; G832-T866 PolarHBondContact N-OG1 3.46Å; G832-T866 VanDerWaalsContact N-OG1 3.12Å
833	N	98.4	Very high	98.4	Very high	3 Å²	3	5.8 Å²	5.8	2%	0.016	3%	0.03	C	C	.	.	H	α-helix	trans	-70.4	-32.1	178.6	-136.2	24.8	0	0	0	111.8	C828 T830 P831 V837 F877 Q878 E927	C828-N833 HydrophobicContact CB-CB 4.42Å; T830-N833 PolarHBondContact O-N 2.95Å; T830-N833 PolarHBondContact OG1-N 3.03Å; P831-N833 VanDerWaalsContact C-N 3.33Å; P831-N833 PolarHBondContact O-N 3.5Å; N833-V837 PolarHBondContact O-N 3.36Å; N833-F877 HydrophobicContact CB-CD2 4.41Å; N833-F877 HydrophobicContact CB-CE2 4.37Å; N833-F877 WeakPolarHBondContact ND2-CE2 3.4Å; N833-F877 WeakPolarHBondContact O-CD2 3.44Å; N833-F877 WeakPolarHBondContact OD1-CD2 3.29Å; N833-Q878 PolarHBondContact ND2-O 2.9Å; N833-Q878 PolarHBondContact OD1-N 2.88Å; N833-E927 WeakPolarHBondContact ND2-CB 3.37Å; N833-E927 VanDerWaalsContact ND2-CG 3.28Å; N833-E927 WeakPolarHBondContact ND2-CG 3.48Å; N833-E927 PolarHBondContact ND2-OE2 3.36Å
834	F	98.8	Very high	98.3	Very high	5 Å²	5	6 Å²	6	2%	0.022	3%	0.031	C	C	.	.	H	α-helix	trans	-67.3	-42.2	170.4	-175.9	-129.9	0	0	0	112.3	W649 E653 L774 C828 T830 P831 G832 H836 V837 L838 V852 T854	W649-F834 AromaticContact CD1-CD1 3.63Å; E653-F834 HydrophobicContact CB-CD1 4.45Å; E653-F834 HydrophobicContact CB-CE1 3.89Å; E653-F834 HydrophobicContact CG-CE1 3.91Å; E653-F834 HydrophobicContact CG-CZ 4.42Å; L774-F834 HydrophobicContact CD2-CE2 4Å; L774-F834 HydrophobicContact CD2-CZ 4.1Å; C828-F834 HydrophobicContact CB-CB 4.25Å; T830-F834 PolarHBondContact O-N 2.81Å; P831-F834 PolarHBondContact O-N 3.31Å; G832-F834 VanDerWaalsContact C-N 3.33Å; G832-F834 PolarHBondContact O-N 3.24Å; F834-H836 PolarHBondContact O-N 3.43Å; F834-V837 HydrophobicContact CD2-CG1 4.29Å; F834-V837 PolarHBondContact O-N 3.49Å; F834-L838 HydrophobicContact CD1-CD1 4.27Å; F834-L838 HydrophobicContact CD2-CD1 4.22Å; F834-L838 HydrophobicContact CD2-CG 4.26Å; F834-L838 HydrophobicContact CE1-CD1 3.96Å; F834-L838 HydrophobicContact CE2-CD1 3.88Å; F834-L838 HydrophobicContact CE2-CD2 4.12Å; F834-L838 HydrophobicContact CE2-CG 4Å; F834-L838 HydrophobicContact CG-CD1 4.41Å; F834-L838 HydrophobicContact CZ-CD1 3.76Å; F834-L838 HydrophobicContact CZ-CD2 4.48Å; F834-L838 HydrophobicContact CZ-CG 4.37Å; F834-L838 VanDerWaalsContact O-CG 3.28Å; F834-L838 WeakPolarHBondContact O-CG 3.39Å; F834-L838 PolarHBondContact O-N 3.31Å; F834-V852 HydrophobicContact CD2-CG1 4.11Å; F834-V852 HydrophobicContact CE2-CG1 3.92Å; F834-T854 HydrophobicContact CE2-CG2 4.29Å; F834-T854 HydrophobicContact CZ-CG2 4.3Å
835	F	98.9	Very high	98.1	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-57.1	-47.4	172.1	159.7	-89.1	0	0	0	112	L605 L610 A652 M655 A656 P831 G832 R839 M871	L605-F835 HydrophobicContact CD1-CE2 3.7Å; L605-F835 HydrophobicContact CD1-CZ 3.55Å; L605-F835 HydrophobicContact CG-CZ 3.92Å; L610-F835 HydrophobicContact CD2-CE2 4.31Å; L610-F835 HydrophobicContact CD2-CZ 4.37Å; A652-F835 HydrophobicContact CB-CB 4.15Å; M655-F835 HydrophobicContact CB-CD2 3.99Å; M655-F835 HydrophobicContact CB-CE2 4.02Å; A656-F835 HydrophobicContact CB-CB 4.49Å; A656-F835 HydrophobicContact CB-CD2 3.71Å; A656-F835 HydrophobicContact CB-CE2 4.36Å; A656-F835 HydrophobicContact CB-CG 4.38Å; P831-F835 PolarHBondContact O-N 3.25Å; G832-F835 WeakPolarHBondContact O-CB 3.44Å; G832-F835 PolarHBondContact O-N 3.49Å; F835-R839 VanDerWaalsContact CZ-CD 3.47Å; F835-R839 PolarHBondContact O-N 3.26Å; F835-M871 HydrophobicContact CB-CE 4.26Å; F835-M871 HydrophobicContact CD1-CB 4.34Å; F835-M871 HydrophobicContact CD1-CE 3.88Å; F835-M871 HydrophobicContact CD1-CG 3.88Å; F835-M871 HydrophobicContact CD1-SD 4.36Å; F835-M871 HydrophobicContact CD2-CE 3.65Å; F835-M871 HydrophobicContact CE1-CB 4.06Å; F835-M871 HydrophobicContact CE1-CE 4.09Å; F835-M871 HydrophobicContact CE1-CG 4.12Å; F835-M871 HydrophobicContact CE2-CE 3.88Å; F835-M871 HydrophobicContact CG-CE 3.67Å; F835-M871 HydrophobicContact CG-CG 4.49Å; F835-M871 HydrophobicContact CG-SD 4.4Å; F835-M871 HydrophobicContact CZ-CE 4.08Å
836	H	98.9	Very high	97.9	Very high	4 Å²	4	7 Å²	7	2%	0.019	4%	0.037	C	C	.	.	H	α-helix	trans	-67.1	-41.7	-178.5	-73.4	-50.2	0	0	0	112.9	T603 G604 G832 F834 L838 R839 R840 E870 M871 T875 F877	T603-H836 WeakPolarHBondContact CB-ND1 3.28Å; T603-H836 PolarHBondContact OG1-ND1 2.86Å; G604-H836 WeakPolarHBondContact CA-CE1 3.41Å; G604-H836 PolarHBondContact N-CE1 3.4Å; G832-H836 PolarHBondContact O-CD2 2.92Å; G832-H836 PolarHBondContact O-N 2.85Å; F834-H836 PolarHBondContact O-N 3.43Å; H836-L838 VanDerWaalsContact C-N 3.32Å; H836-L838 PolarHBondContact O-N 2.95Å; H836-R839 PolarHBondContact O-N 3.38Å; H836-R840 WeakPolarHBondContact O-CB 3.28Å; H836-R840 PolarHBondContact O-N 3.28Å; H836-E870 CovalentContact NE2-O 1.8Å; H836-E870 PolarHBondContact NE2-O 3.27Å; H836-M871 VanDerWaalsContact CE1-CA 3.42Å; H836-M871 WeakPolarHBondContact CE1-CA 3.46Å; H836-M871 WeakPolarHBondContact NE2-CA 3.38Å; H836-T875 VanDerWaalsContact CE1-CB 3.41Å; H836-T875 WeakPolarHBondContact CE1-CB 3.38Å; H836-T875 PolarHBondContact CE1-OG1 3.06Å; H836-T875 VanDerWaalsContact NE2-CB 3.34Å; H836-T875 WeakPolarHBondContact NE2-CB 3.12Å; H836-T875 PolarHBondContact NE2-OG1 3.31Å; H836-T875 VanDerWaalsContact NE2-OG1 3.12Å; H836-F877 HydrophobicContact CB-CB 3.8Å
837	V	98.8	Very high	97.8	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-66.6	-35	-179.1	83.4	0	0	0	0	112.3	V826 N833 F834 R840 Q841 L850 F877	V826-V837 HydrophobicContact CG1-CG2 4.21Å; V826-V837 HydrophobicContact CG2-CG1 4.5Å; V826-V837 HydrophobicContact CG2-CG2 4.42Å; N833-V837 PolarHBondContact O-N 3.36Å; F834-V837 HydrophobicContact CD2-CG1 4.29Å; F834-V837 PolarHBondContact O-N 3.49Å; V837-R840 PolarHBondContact O-N 3.01Å; V837-Q841 PolarHBondContact O-N 3.11Å; V837-L850 HydrophobicContact CG1-CD2 4.15Å; V837-L850 HydrophobicContact CG2-CD1 4.03Å; V837-L850 HydrophobicContact CG2-CD2 3.87Å; V837-F877 HydrophobicContact CB-CD2 3.64Å; V837-F877 HydrophobicContact CB-CE2 3.83Å; V837-F877 HydrophobicContact CB-CG 4.37Å; V837-F877 HydrophobicContact CG2-CD2 4.05Å; V837-F877 HydrophobicContact CG2-CE2 4.01Å; V837-F877 HydrophobicContact CG2-CG 4.48Å; V837-F877 HydrophobicContact CG2-CZ 4.41Å
838	L	98.8	Very high	97.7	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-65.8	-40.8	175.3	-70.5	173.8	0	0	0	112.2	E653 A656 F657 L736 L738 V772 F834 H836	E653-L838 HydrophobicContact CG-CD1 4.31Å; A656-L838 HydrophobicContact CB-CB 3.94Å; A656-L838 HydrophobicContact CB-CD1 3.99Å; F657-L838 HydrophobicContact CE1-CD1 3.95Å; F657-L838 HydrophobicContact CE1-CD2 4.46Å; L736-L838 HydrophobicContact CD2-CD2 4.48Å; L738-L838 HydrophobicContact CD2-CD2 3.8Å; V772-L838 HydrophobicContact CG1-CD2 4.37Å; F834-L838 HydrophobicContact CD1-CD1 4.27Å; F834-L838 HydrophobicContact CD2-CD1 4.22Å; F834-L838 HydrophobicContact CD2-CG 4.26Å; F834-L838 HydrophobicContact CE1-CD1 3.96Å; F834-L838 HydrophobicContact CE2-CD1 3.88Å; F834-L838 HydrophobicContact CE2-CD2 4.12Å; F834-L838 HydrophobicContact CE2-CG 4Å; F834-L838 HydrophobicContact CG-CD1 4.41Å; F834-L838 HydrophobicContact CZ-CD1 3.76Å; F834-L838 HydrophobicContact CZ-CD2 4.48Å; F834-L838 HydrophobicContact CZ-CG 4.37Å; F834-L838 VanDerWaalsContact O-CG 3.28Å; F834-L838 WeakPolarHBondContact O-CG 3.39Å; F834-L838 PolarHBondContact O-N 3.31Å; H836-L838 VanDerWaalsContact C-N 3.32Å; H836-L838 PolarHBondContact O-N 2.95Å
839	R	98.7	Very high	97.7	Very high	8 Å²	8	7 Å²	7	3%	0.03	4%	0.037	C	C	.	.	H	α-helix	trans	-72	-36.3	174.9	-71.7	-178.5	55	67.3	-7.3	112.3	T603 A656 S659 L660 E663 F835 H836 Q841 I842 L843	T603-R839 HydrophobicContact CG2-CB 4.25Å; T603-R839 WeakPolarHBondContact O-CD 3.38Å; T603-R839 PolarHBondContact O-NE 3.38Å; A656-R839 HydrophobicContact CB-CG 4.23Å; S659-R839 PolarHBondContact OG-NH1 3.07Å; L660-R839 HydrophobicContact CD1-CG 4.47Å; L660-R839 HydrophobicContact CG-CG 4.34Å; E663-R839 VanDerWaalsContact CD-NH1 3.3Å; E663-R839 IonicContact OE1-CZ 3.57Å; E663-R839 VanDerWaalsContact OE1-CZ 3.24Å; E663-R839 IonicContact OE1-NH1 2.72Å; E663-R839 PolarHBondContact OE1-NH1 3.4Å; E663-R839 IonicContact OE1-NH2 3.84Å; E663-R839 PolarHBondContact OE1-NH2 3.24Å; E663-R839 IonicContact OE2-CZ 3.29Å; E663-R839 IonicContact OE2-NH1 2.74Å; E663-R839 PolarHBondContact OE2-NH1 3.35Å; E663-R839 IonicContact OE2-NH2 3.54Å; F835-R839 VanDerWaalsContact CZ-CD 3.47Å; F835-R839 PolarHBondContact O-N 3.26Å; H836-R839 PolarHBondContact O-N 3.38Å; R839-Q841 VanDerWaalsContact C-N 3.27Å; R839-Q841 PolarHBondContact O-N 2.85Å; R839-I842 PolarHBondContact O-N 2.96Å; R839-I842 VanDerWaalsContact O-N 3.13Å; R839-L843 HydrophobicContact CB-CD1 4.31Å; R839-L843 WeakPolarHBondContact O-CG 3.29Å; R839-L843 PolarHBondContact O-N 2.92Å; R839-L843 VanDerWaalsContact O-N 3.11Å
840	R	98.3	Very high	97.7	Very high	13 Å²	13	7 Å²	7	5%	0.049	4%	0.037	C	C	.	.	H	α-helix	trans	-55.8	-39	176.2	-170.8	173	67.7	161.1	0.8	112.4	T603 H836 V837 I842 L843 L844	T603-R840 HydrophobicContact CG2-CB 4.03Å; H836-R840 WeakPolarHBondContact O-CB 3.28Å; H836-R840 PolarHBondContact O-N 3.28Å; V837-R840 PolarHBondContact O-N 3.01Å; R840-I842 PolarHBondContact O-N 3.21Å; R840-I842 VanDerWaalsContact O-N 3.08Å; R840-L843 PolarHBondContact O-N 3.45Å; R840-L844 HydrophobicContact CG-CD1 4.09Å; R840-L844 HydrophobicContact CG-CG 4.03Å; R840-L844 VanDerWaalsContact O-CG 3.28Å; R840-L844 WeakPolarHBondContact O-CG 3.14Å; R840-L844 PolarHBondContact O-N 3.28Å
841	Q	97.2	Very high	97.7	Very high	2 Å²	2	6.4 Å²	6.4	1%	0.009	3%	0.033	C	C	.	.	H	α-helix	trans	-54.3	-29.5	177.8	-78.6	-64.2	98.7	0	0	114.6	L736 G770 V772 V837 R839 R847 K848 L850	L736-Q841 HydrophobicContact CD1-CB 3.86Å; L736-Q841 HydrophobicContact CD1-CG 4.45Å; G770-Q841 PolarHBondContact O-NE2 2.93Å; V772-Q841 HydrophobicContact CG2-CG 4.09Å; V837-Q841 PolarHBondContact O-N 3.11Å; R839-Q841 VanDerWaalsContact C-N 3.27Å; R839-Q841 PolarHBondContact O-N 2.85Å; Q841-R847 WeakPolarHBondContact O-CD 3.48Å; Q841-R847 PolarHBondContact O-NE 3.09Å; Q841-R847 PolarHBondContact O-NH1 3.01Å; Q841-R847 VanDerWaalsContact O-NH1 3.16Å; Q841-K848 PolarHBondContact NE2-O 2.7Å; Q841-L850 HydrophobicContact CG-CB 4.09Å; Q841-L850 HydrophobicContact CG-CD2 3.57Å; Q841-L850 HydrophobicContact CG-CG 4.44Å
842	I	96.9	Very high	97.7	Very high	15 Å²	15	6.4 Å²	6.4	8%	0.077	3%	0.033	C	C	.	.	H	α-helix	trans	-99	-36.1	-178.8	-56	-59	0	0	0	111.8	L660 I665 A735 L736 R839 R840 L844 R847	L660-I842 HydrophobicContact CD1-CG1 4.09Å; L660-I842 HydrophobicContact CD2-CB 3.86Å; L660-I842 HydrophobicContact CD2-CG1 3.96Å; L660-I842 HydrophobicContact CD2-CG2 4.07Å; I665-I842 HydrophobicContact CD1-CG2 3.74Å; I665-I842 HydrophobicContact CG1-CG2 3.86Å; I665-I842 HydrophobicContact CG2-CD1 4.18Å; I665-I842 HydrophobicContact CG2-CG1 4.14Å; I665-I842 HydrophobicContact CG2-CG2 3.98Å; A735-I842 WeakPolarHBondContact O-CD1 3.26Å; L736-I842 HydrophobicContact CB-CD1 3.94Å; L736-I842 HydrophobicContact CB-CG1 4.16Å; L736-I842 HydrophobicContact CD1-CD1 4.13Å; L736-I842 HydrophobicContact CD1-CG1 4.18Å; R839-I842 PolarHBondContact O-N 2.96Å; R839-I842 VanDerWaalsContact O-N 3.13Å; R840-I842 PolarHBondContact O-N 3.21Å; R840-I842 VanDerWaalsContact O-N 3.08Å; I842-L844 VanDerWaalsContact C-N 3.32Å; I842-R847 PolarHBondContact O-NH1 2.73Å; I842-R847 PolarHBondContact O-NH2 2.88Å
843	L	96.3	Very high	97.8	Very high	42 Å²	42	6.3 Å²	6.3	22%	0.22	3%	0.033	C	C	.	.	H	α-helix	trans	-77.6	-14.1	-178.2	-66.7	173.6	0	0	0	113.9	P601 T603 R839 R840	P601-L843 WeakPolarHBondContact CD-O 3.45Å; P601-L843 HydrophobicContact CG-CB 4.01Å; P601-L843 HydrophobicContact CG-CD2 4.1Å; P601-L843 HydrophobicContact CG-CG 4.42Å; T603-L843 HydrophobicContact CG2-CD1 4.07Å; R839-L843 HydrophobicContact CB-CD1 4.31Å; R839-L843 WeakPolarHBondContact O-CG 3.29Å; R839-L843 PolarHBondContact O-N 2.92Å; R839-L843 VanDerWaalsContact O-N 3.11Å; R840-L843 PolarHBondContact O-N 3.45Å
844	L	96.1	Very high	97.8	Very high	4 Å²	4	6.7 Å²	6.7	2%	0.021	4%	0.035	C	C	.	.	S	Bend	trans	-62.9	147.6	166.9	-77.8	167.7	0	0	0	111.6	C600 I815 L818 I824 R840 I842 F846 R847	C600-L844 HydrophobicContact CB-CD2 4.2Å; I815-L844 HydrophobicContact CD1-CD2 4.35Å; L818-L844 HydrophobicContact CD1-CD2 4.29Å; I824-L844 HydrophobicContact CD1-CD1 4.42Å; R840-L844 HydrophobicContact CG-CD1 4.09Å; R840-L844 HydrophobicContact CG-CG 4.03Å; R840-L844 VanDerWaalsContact O-CG 3.28Å; R840-L844 WeakPolarHBondContact O-CG 3.14Å; R840-L844 PolarHBondContact O-N 3.28Å; I842-L844 VanDerWaalsContact C-N 3.32Å; L844-F846 HydrophobicContact CD1-CE2 4.06Å; L844-F846 HydrophobicContact CD1-CZ 4.48Å; L844-F846 HydrophobicContact CD2-CE1 4.25Å; L844-F846 HydrophobicContact CD2-CE2 4.19Å; L844-F846 HydrophobicContact CD2-CZ 3.79Å; L844-F846 HydrophobicContact CG-CE2 4.49Å; L844-F846 PolarHBondContact O-N 3.4Å; L844-R847 PolarHBondContact O-NH1 3.49Å
845	P	94.1	Very high	97.7	Very high	20 Å²	20	7 Å²	7	13%	0.13	4%	0.037	C	C	.	.	S	Bend	trans	-80.6	10	177.5	31.1	-31.3	0	0	0	113.9	P595 S597	P595-P845 HydrophobicContact CB-CB 4.37Å; S597-P845 WeakPolarHBondContact O-CB 3.27Å; S597-P845 WeakPolarHBondContact O-CG 3.36Å
846	F	95.1	Very high	97.7	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.039	C	C	.	.	S	Bend	trans	-150.1	176.6	179.6	52.5	-100.2	0	0	0	109.7	P595 I815 L818 Y819 L844 K848	P595-F846 HydrophobicContact CG-CB 4.48Å; P595-F846 HydrophobicContact CG-CD1 4.29Å; I815-F846 HydrophobicContact CG2-CE1 3.84Å; I815-F846 HydrophobicContact CG2-CZ 4.19Å; L818-F846 HydrophobicContact CB-CE2 4.05Å; L818-F846 HydrophobicContact CB-CZ 3.77Å; L818-F846 VanDerWaalsContact O-CE2 3.28Å; L818-F846 WeakPolarHBondContact O-CE2 3.16Å; Y819-F846 HydrophobicContact CD2-CB 4.13Å; Y819-F846 AromaticContact CD2-CD1 3.66Å; Y819-F846 HydrophobicContact CD2-CD1 3.66Å; Y819-F846 HydrophobicContact CD2-CD2 4.35Å; Y819-F846 HydrophobicContact CD2-CE1 4.09Å; Y819-F846 AromaticContact CD2-CG 3.8Å; Y819-F846 HydrophobicContact CD2-CG 3.8Å; Y819-F846 HydrophobicContact CE2-CB 4.45Å; Y819-F846 HydrophobicContact CG-CD1 4.4Å; Y819-F846 HydrophobicContact CG-CE1 4.4Å; L844-F846 HydrophobicContact CD1-CE2 4.06Å; L844-F846 HydrophobicContact CD1-CZ 4.48Å; L844-F846 HydrophobicContact CD2-CE1 4.25Å; L844-F846 HydrophobicContact CD2-CE2 4.19Å; L844-F846 HydrophobicContact CD2-CZ 3.79Å; L844-F846 HydrophobicContact CG-CE2 4.49Å; L844-F846 PolarHBondContact O-N 3.4Å; F846-K848 HydrophobicContact CD2-CG 4.15Å; F846-K848 HydrophobicContact CE2-CG 4.15Å
847	R	96.2	Very high	97.6	Very high	5 Å²	5	9.6 Å²	9.6	2%	0.019	6%	0.055	C	C	.	.			trans	-127.7	129.1	179	-62.5	-67.3	173.3	-100.8	2.4	112.4	W585 F588 P733 Q768 N769 Q841 I842 L844	W585-R847 HydrophobicContact CH2-CB 3.78Å; W585-R847 HydrophobicContact CH2-CG 3.74Å; W585-R847 HydrophobicContact CZ3-CB 3.87Å; W585-R847 HydrophobicContact CZ3-CG 3.7Å; F588-R847 HydrophobicContact CZ-CG 4.47Å; P733-R847 HydrophobicContact CB-CG 4.31Å; P733-R847 VanDerWaalsContact O-CZ 3.25Å; P733-R847 PolarHBondContact O-NE 2.85Å; P733-R847 PolarHBondContact O-NH2 3.38Å; Q768-R847 HydrophobicContact CB-CB 4.33Å; Q768-R847 WeakPolarHBondContact CB-O 3.4Å; N769-R847 CarbonylContact O-C 3.53Å; Q841-R847 WeakPolarHBondContact O-CD 3.48Å; Q841-R847 PolarHBondContact O-NE 3.09Å; Q841-R847 PolarHBondContact O-NH1 3.01Å; Q841-R847 VanDerWaalsContact O-NH1 3.16Å; I842-R847 PolarHBondContact O-NH1 2.73Å; I842-R847 PolarHBondContact O-NH2 2.88Å; L844-R847 PolarHBondContact O-NH1 3.49Å
848	K	97.2	Very high	97.5	Very high	3 Å²	3	9.8 Å²	9.8	1%	0.013	6%	0.056	C	C	.	.			trans	-125.7	150.2	171.5	-63.2	-63.8	-175.7	168.4	0	109.9	N769 L818 Y819 C821 I824 Q841 F846	N769-K848 CarbonylContact O-C 3.49Å; N769-K848 VanDerWaalsContact O-CA 3.27Å; N769-K848 WeakPolarHBondContact O-CA 3.4Å; N769-K848 PolarHBondContact O-N 2.86Å; L818-K848 WeakPolarHBondContact O-CE 3.47Å; L818-K848 WeakPolarHBondContact O-CG 3.29Å; Y819-K848 WeakPolarHBondContact O-CE 3.31Å; Y819-K848 PolarHBondContact O-NZ 2.8Å; C821-K848 WeakPolarHBondContact O-CD 3.17Å; C821-K848 WeakPolarHBondContact O-CE 3.13Å; C821-K848 PolarHBondContact O-NZ 3.12Å; I824-K848 HydrophobicContact CD1-CB 3.95Å; I824-K848 HydrophobicContact CG1-CB 4.04Å; Q841-K848 PolarHBondContact NE2-O 2.7Å; F846-K848 HydrophobicContact CD2-CG 4.15Å; F846-K848 HydrophobicContact CE2-CG 4.15Å
849	P	98.6	Very high	97.5	Very high	8 Å²	8	10.3 Å²	10.3	5%	0.052	6%	0.058	C	C	.	.			trans	-60.5	142.3	165.5	-19.1	31.6	0	0	0	110.8	I758 I771 W823 I824	I758-P849 HydrophobicContact CG2-CB 3.52Å; I758-P849 HydrophobicContact CG2-CG 3.65Å; I771-P849 HydrophobicContact CG2-CB 4.19Å; I771-P849 WeakPolarHBondContact O-CA 3.48Å; W823-P849 HydrophobicContact CB-CB 4.04Å; W823-P849 HydrophobicContact CB-CG 4.34Å; I824-P849 PolarHBondContact N-O 3.07Å
850	L	98.9	Very high	97.4	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	116.1	176	174.4	66.9	0	0	0	110.3	I771 V772 L773 I824 V826 V837 Q841 V852	I771-L850 PolarHBondContact O-N 2.71Å; V772-L850 CarbonylContact C-O 3.49Å; V772-L850 WeakPolarHBondContact CA-O 3.47Å; V772-L850 HydrophobicContact CG1-CB 4.37Å; V772-L850 HydrophobicContact CG1-CD2 4.06Å; V772-L850 HydrophobicContact CG1-CG 4.28Å; V772-L850 HydrophobicContact CG2-CB 4.33Å; V772-L850 HydrophobicContact CG2-CD2 4.37Å; L773-L850 PolarHBondContact N-O 3.15Å; I824-L850 HydrophobicContact CB-CD1 3.77Å; I824-L850 HydrophobicContact CG2-CD1 3.59Å; I824-L850 WeakPolarHBondContact O-CA 3.35Å; V826-L850 HydrophobicContact CG1-CD1 4.07Å; V826-L850 HydrophobicContact CG2-CD1 3.96Å; V837-L850 HydrophobicContact CG1-CD2 4.15Å; V837-L850 HydrophobicContact CG2-CD1 4.03Å; V837-L850 HydrophobicContact CG2-CD2 3.87Å; Q841-L850 HydrophobicContact CG-CB 4.09Å; Q841-L850 HydrophobicContact CG-CD2 3.57Å; Q841-L850 HydrophobicContact CG-CG 4.44Å; L850-V852 HydrophobicContact CD1-CG2 4.37Å; L850-V852 HydrophobicContact CD2-CG2 3.79Å; L850-V852 HydrophobicContact CG-CG2 3.71Å
851	I	98.9	Very high	97.3	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	113.2	173.6	-46	-56.7	0	0	0	108.2	L773 L775 F794 W823 I824 V825 V826 F853	L773-I851 HydrophobicContact CB-CD1 4.11Å; L773-I851 HydrophobicContact CD1-CD1 4.32Å; L773-I851 HydrophobicContact CD2-CD1 3.98Å; L773-I851 HydrophobicContact CG-CD1 4.36Å; L775-I851 HydrophobicContact CD1-CG2 3.85Å; F794-I851 HydrophobicContact CD1-CB 4.44Å; F794-I851 HydrophobicContact CD1-CD1 3.87Å; F794-I851 HydrophobicContact CD1-CG1 3.79Å; F794-I851 HydrophobicContact CD1-CG2 3.86Å; F794-I851 HydrophobicContact CD2-CG2 4.29Å; F794-I851 HydrophobicContact CE1-CD1 3.83Å; F794-I851 HydrophobicContact CE1-CG1 4.23Å; F794-I851 HydrophobicContact CE1-CG2 4.08Å; F794-I851 HydrophobicContact CE2-CG2 4.49Å; F794-I851 HydrophobicContact CG-CG1 4.49Å; F794-I851 HydrophobicContact CG-CG2 3.97Å; F794-I851 HydrophobicContact CZ-CG2 4.39Å; W823-I851 HydrophobicContact CD2-CG1 4.28Å; W823-I851 HydrophobicContact CE3-CD1 4.13Å; W823-I851 HydrophobicContact CE3-CG1 4.33Å; W823-I851 HydrophobicContact CZ3-CD1 4.37Å; I824-I851 PolarHBondContact O-N 2.74Å; V825-I851 HydrophobicContact CG1-CB 4.44Å; V825-I851 HydrophobicContact CG2-CB 4.22Å; V825-I851 HydrophobicContact CG2-CG1 4.19Å; V826-I851 PolarHBondContact N-O 3.35Å; I851-F853 HydrophobicContact CG2-CE1 3.94Å; I851-F853 HydrophobicContact CG2-CE2 4.41Å; I851-F853 HydrophobicContact CG2-CZ 3.75Å
852	V	98.9	Very high	97.1	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.006	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	115.6	177.3	-170.8	0	0	0	0	109.6	V772 L773 L774 L775 V826 F834 L850 T854	V772-V852 HydrophobicContact CG1-CG2 3.86Å; L773-V852 PolarHBondContact O-N 2.86Å; L774-V852 HydrophobicContact CD2-CB 3.92Å; L774-V852 HydrophobicContact CD2-CG1 4.42Å; L774-V852 HydrophobicContact CD2-CG2 4.01Å; L775-V852 PolarHBondContact N-O 3.16Å; V826-V852 HydrophobicContact CG2-CB 4.17Å; V826-V852 HydrophobicContact CG2-CG1 4.05Å; V826-V852 HydrophobicContact CG2-CG2 3.89Å; F834-V852 HydrophobicContact CD2-CG1 4.11Å; F834-V852 HydrophobicContact CE2-CG1 3.92Å; L850-V852 HydrophobicContact CD1-CG2 4.37Å; L850-V852 HydrophobicContact CD2-CG2 3.79Å; L850-V852 HydrophobicContact CG-CG2 3.71Å; V852-T854 HydrophobicContact CB-CG2 4.24Å; V852-T854 HydrophobicContact CG1-CG2 3.71Å; V852-T854 PolarHBondContact O-N 3.23Å; V852-T854 VanDerWaalsContact O-N 3.1Å
853	F	98.9	Very high	97	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	94.5	165.9	-56.5	-58.7	0	0	0	108.8	L775 H777 A789 P791 F794 V825 V826 N827 I851 Y961	L775-F853 HydrophobicContact CB-CD1 4.18Å; L775-F853 HydrophobicContact CD1-CD1 4.37Å; L775-F853 HydrophobicContact CD1-CE1 3.97Å; L775-F853 WeakPolarHBondContact O-CA 3.41Å; H777-F853 HydrophobicContact CB-CB 4.07Å; A789-F853 HydrophobicContact CB-CD1 3.48Å; A789-F853 VanDerWaalsContact CB-CD1 3.48Å; A789-F853 HydrophobicContact CB-CE1 3.7Å; P791-F853 VanDerWaalsContact CA-CZ 3.5Å; P791-F853 HydrophobicContact CB-CD2 4.23Å; P791-F853 HydrophobicContact CB-CE1 4Å; P791-F853 HydrophobicContact CB-CE2 3.58Å; P791-F853 HydrophobicContact CB-CZ 3.48Å; P791-F853 VanDerWaalsContact CB-CZ 3.48Å; F794-F853 HydrophobicContact CB-CZ 4.41Å; F794-F853 HydrophobicContact CD2-CE1 4.1Å; F794-F853 AromaticContact CD2-CZ 3.99Å; F794-F853 HydrophobicContact CD2-CZ 3.99Å; F794-F853 HydrophobicContact CE2-CE1 4.4Å; F794-F853 HydrophobicContact CG-CZ 4.4Å; V825-F853 HydrophobicContact CG1-CD2 4.43Å; V825-F853 HydrophobicContact CG1-CE2 3.48Å; V825-F853 VanDerWaalsContact CG1-CE2 3.48Å; V825-F853 HydrophobicContact CG1-CZ 4.09Å; V826-F853 WeakPolarHBondContact O-CD2 3.45Å; V826-F853 PolarHBondContact O-N 3.17Å; N827-F853 HydrophobicContact CB-CB 4.06Å; N827-F853 HydrophobicContact CB-CD2 4.15Å; N827-F853 PolarHBondContact OD1-O 2.95Å; I851-F853 HydrophobicContact CG2-CE1 3.94Å; I851-F853 HydrophobicContact CG2-CE2 4.41Å; I851-F853 HydrophobicContact CG2-CZ 3.75Å; F853-Y961 HydrophobicContact CD2-CE1 4.43Å; F853-Y961 HydrophobicContact CE2-CE1 4.38Å
854	T	98.6	Very high	97.1	Very high	10 Å²	10	26.5 Å²	26.5	6%	0.061	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	148.4	-176.6	49.6	0	0	0	0	110.9	L774 L775 P776 H777 F834 V852	L774-T854 HydrophobicContact CB-CG2 3.94Å; L774-T854 HydrophobicContact CD2-CG2 3.85Å; L774-T854 HydrophobicContact CG-CG2 4.39Å; L775-T854 PolarHBondContact O-N 3.33Å; L775-T854 VanDerWaalsContact O-N 3.08Å; P776-T854 CarbonylContact C-O 3.55Å; P776-T854 VanDerWaalsContact CA-O 3.31Å; P776-T854 WeakPolarHBondContact CA-O 3.49Å; P776-T854 WeakPolarHBondContact CA-OG1 3.4Å; H777-T854 PolarHBondContact N-O 3.01Å; F834-T854 HydrophobicContact CE2-CG2 4.29Å; F834-T854 HydrophobicContact CZ-CG2 4.3Å; V852-T854 HydrophobicContact CB-CG2 4.24Å; V852-T854 HydrophobicContact CG1-CG2 3.71Å; V852-T854 PolarHBondContact O-N 3.23Å; V852-T854 VanDerWaalsContact O-N 3.1Å
855	P	97.8	Very high	97.1	Very high	11 Å²	11	32.1 Å²	32.1	7%	0.071	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	163.2	-176.4	33.6	-35.6	0	0	0	112.7	W649 L858 L859	W649-P855 HydrophobicContact CD2-CG 3.97Å; W649-P855 HydrophobicContact CG-CG 4.17Å; W649-P855 HydrophobicContact CZ2-CG 4.1Å; P855-L858 HydrophobicContact CB-CB 3.63Å; P855-L858 HydrophobicContact CB-CD1 3.9Å; P855-L858 HydrophobicContact CB-CG 3.77Å; P855-L858 HydrophobicContact CG-CB 4Å; P855-L858 HydrophobicContact CG-CD1 4.47Å; P855-L859 HydrophobicContact CG-CD2 4.09Å; P855-L859 HydrophobicContact CG-CG 4.49Å; P855-L859 WeakPolarHBondContact O-CD1 3.36Å; P855-L859 WeakPolarHBondContact O-CG 3.19Å
856	K	98.1	Very high	97.3	Very high	11 Å²	11	31.3 Å²	31.3	5%	0.048	15%	0.15	C	C	.	.	S	Bend	trans	-111.9	-59.6	174.2	-59.3	176	-60.8	-155.9	0	111.2	F679 F743 P776 H777 G778 E780 H786 L859	F679-K856 HydrophobicContact CE1-CB 4.15Å; F679-K856 HydrophobicContact CE1-CD 4.03Å; F679-K856 HydrophobicContact CE1-CG 3.87Å; F679-K856 HydrophobicContact CE2-CG 4.1Å; F679-K856 HydrophobicContact CZ-CB 4.34Å; F679-K856 HydrophobicContact CZ-CD 3.85Å; F679-K856 HydrophobicContact CZ-CG 3.6Å; F743-K856 HydrophobicContact CD1-CD 3.94Å; F743-K856 HydrophobicContact CE1-CD 3.78Å; P776-K856 HydrophobicContact CB-CD 4.25Å; P776-K856 HydrophobicContact CB-CG 3.97Å; H777-K856 WeakPolarHBondContact O-CE 3.39Å; G778-K856 WeakPolarHBondContact O-CE 3.46Å; G778-K856 PolarHBondContact O-NZ 2.73Å; E780-K856 WeakPolarHBondContact OE2-CB 3.31Å; H786-K856 PolarHBondContact O-NZ 3.09Å; K856-L859 WeakPolarHBondContact O-CB 3.42Å; K856-L859 WeakPolarHBondContact O-CD1 3.11Å; K856-L859 WeakPolarHBondContact O-CG 3.47Å
857	S	97	Very high	97.5	Very high	49 Å²	49	32.8 Å²	32.8	34%	0.343	16%	0.161	S	C	.	.	S	Bend	trans	-70.5	-36.7	176.5	59.7	0	0	0	0	113.6	E780 L859 R860 H861	E780-S857 WeakPolarHBondContact OE1-CB 3.41Å; E780-S857 PolarHBondContact OE1-N 3.43Å; E780-S857 PolarHBondContact OE1-OG 2.58Å; S857-L859 PolarHBondContact O-N 3.3Å; S857-L859 VanDerWaalsContact O-N 3.16Å; S857-R860 PolarHBondContact O-N 3.06Å; S857-H861 PolarHBondContact O-N 3.12Å
858	L	97.9	Very high	97.6	Very high	4 Å²	4	32.6 Å²	32.6	2%	0.021	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-63.3	-24.9	-177.7	-49.9	-175	0	0	0	113.3	W649 P855 R860 H861 A864 K903 Y906	W649-L858 HydrophobicContact CE3-CB 4.11Å; W649-L858 VanDerWaalsContact CE3-O 3.28Å; W649-L858 HydrophobicContact CH2-CB 3.56Å; W649-L858 HydrophobicContact CH2-CD1 3.79Å; W649-L858 HydrophobicContact CH2-CG 4.32Å; W649-L858 HydrophobicContact CZ2-CB 4.12Å; W649-L858 HydrophobicContact CZ2-CD1 3.99Å; W649-L858 HydrophobicContact CZ3-CB 3.56Å; W649-L858 VanDerWaalsContact CZ3-O 3.23Å; W649-L858 WeakPolarHBondContact CZ3-O 3.45Å; P855-L858 HydrophobicContact CB-CB 3.63Å; P855-L858 HydrophobicContact CB-CD1 3.9Å; P855-L858 HydrophobicContact CB-CG 3.77Å; P855-L858 HydrophobicContact CG-CB 4Å; P855-L858 HydrophobicContact CG-CD1 4.47Å; L858-R860 PolarHBondContact O-N 2.9Å; L858-H861 HydrophobicContact CD2-CB 4.29Å; L858-H861 PolarHBondContact O-N 2.96Å; L858-A864 HydrophobicContact CB-CB 4.26Å; L858-A864 HydrophobicContact CD2-CB 4.47Å; L858-K903 HydrophobicContact CD1-CB 3.96Å; L858-K903 HydrophobicContact CD2-CB 3.92Å; L858-K903 HydrophobicContact CG-CB 3.92Å; L858-Y906 HydrophobicContact CD1-CD2 4.28Å; L858-Y906 HydrophobicContact CD1-CE2 4.04Å; L858-Y906 HydrophobicContact CD2-CD2 3.52Å; L858-Y906 HydrophobicContact CD2-CE2 3.87Å; L858-Y906 HydrophobicContact CD2-CG 4.26Å
859	L	97.9	Very high	97.6	Very high	11 Å²	11	36.4 Å²	36.4	6%	0.058	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-50.9	-18.6	174.9	-59.3	177	0	0	0	113.8	W649 F679 H681 P855 K856 S857	W649-L859 HydrophobicContact CB-CD2 3.65Å; W649-L859 HydrophobicContact CG-CD2 3.97Å; F679-L859 HydrophobicContact CB-CD1 3.73Å; F679-L859 HydrophobicContact CD2-CD1 3.72Å; F679-L859 HydrophobicContact CG-CD1 3.85Å; H681-L859 HydrophobicContact CB-CD1 4.31Å; P855-L859 HydrophobicContact CG-CD2 4.09Å; P855-L859 HydrophobicContact CG-CG 4.49Å; P855-L859 WeakPolarHBondContact O-CD1 3.36Å; P855-L859 WeakPolarHBondContact O-CG 3.19Å; K856-L859 WeakPolarHBondContact O-CB 3.42Å; K856-L859 WeakPolarHBondContact O-CD1 3.11Å; K856-L859 WeakPolarHBondContact O-CG 3.47Å; S857-L859 PolarHBondContact O-N 3.3Å; S857-L859 VanDerWaalsContact O-N 3.16Å
860	R	95.6	Very high	97.6	Very high	153 Å²	153	39.5 Å²	39.5	58%	0.577	19%	0.194	S	C	*	.	G	3₁₀ helix	trans	-135.4	7.7	175.8	-60.3	-176.2	177.1	91.9	-0.1	114.1	F679 S680 S857 L858	F679-R860 PolarHBondContact O-NH1 3.16Å; F679-R860 PolarHBondContact O-NH2 2.92Å; S680-R860 PolarHBondContact O-NH2 3.21Å; S857-R860 PolarHBondContact O-N 3.06Å; L858-R860 PolarHBondContact O-N 2.9Å
861	H	96.4	Very high	97.6	Very high	52 Å²	52	39.5 Å²	39.5	24%	0.241	19%	0.194	C	C	.	.			trans	-73.8	131.2	-174.7	-172.7	-95.1	0	0	0	110.6	S857 L858 E863 A864 Y906	S857-H861 PolarHBondContact O-N 3.12Å; L858-H861 HydrophobicContact CD2-CB 4.29Å; L858-H861 PolarHBondContact O-N 2.96Å; H861-E863 IonicContact CE1-OE2 2.64Å; H861-E863 PolarHBondContact O-N 3.31Å; H861-A864 HydrophobicContact CB-CB 3.71Å; H861-A864 WeakPolarHBondContact O-CB 3.22Å; H861-A864 PolarHBondContact O-N 2.75Å; H861-Y906 AromaticContact CE1-CD1 3.59Å; H861-Y906 AromaticContact ND1-CD1 3.68Å
862	P	94.4	Very high	97.6	Very high	88 Å²	88	41.4 Å²	41.4	57%	0.571	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-33.2	-166.2	25.1	-34.5	0	0	0	114.1
863	E	95.1	Very high	97.6	Very high	126 Å²	126	44.6 Å²	44.6	59%	0.589	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82	-3.2	174.6	-56	179.5	144.9	0	0	112.8	H861 R865 Y906	H861-E863 IonicContact CE1-OE2 2.64Å; H861-E863 PolarHBondContact O-N 3.31Å; E863-R865 PolarHBondContact O-N 2.71Å; E863-Y906 HydrophobicContact CB-CD1 4.18Å; E863-Y906 HydrophobicContact CB-CE1 3.86Å; E863-Y906 PolarHBondContact O-OH 3.37Å
864	A	96.7	Very high	97.5	Very high	1 Å²	1	47 Å²	47	1%	0.008	25%	0.25	C	S	.	.			trans	-103	69	-174.6	0	0	0	0	0	109	W649 L858 H861 Y906	W649-A864 HydrophobicContact CH2-CB 3.77Å; W649-A864 HydrophobicContact CZ3-CB 3.43Å; W649-A864 VanDerWaalsContact CZ3-CB 3.43Å; W649-A864 VanDerWaalsContact CZ3-O 3.29Å; W649-A864 WeakPolarHBondContact CZ3-O 3.42Å; L858-A864 HydrophobicContact CB-CB 4.26Å; L858-A864 HydrophobicContact CD2-CB 4.47Å; H861-A864 HydrophobicContact CB-CB 3.71Å; H861-A864 WeakPolarHBondContact O-CB 3.22Å; H861-A864 PolarHBondContact O-N 2.75Å; A864-Y906 WeakPolarHBondContact CA-OH 3.32Å; A864-Y906 HydrophobicContact CB-CE1 4.12Å; A864-Y906 HydrophobicContact CB-CE2 4.13Å
865	R	97.2	Very high	97.5	Very high	122 Å²	122	48 Å²	48	46%	0.46	26%	0.256	S	S	.	.			trans	-140.8	157.1	-176.7	-64.8	-178.7	-177.9	-178.7	0.4	109	V647 E863	V647-R865 VanDerWaalsContact O-CA 3.29Å; V647-R865 WeakPolarHBondContact O-CA 3.49Å; V647-R865 WeakPolarHBondContact O-CB 3.37Å; E863-R865 PolarHBondContact O-N 2.71Å
866	T	98.2	Very high	97.5	Very high	2 Å²	2	51.9 Å²	51.9	1%	0.012	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	145	177.6	-81.6	0	0	0	0	109.6	T646 V647 G832 E870 M871	T646-T866 WeakPolarHBondContact CA-O 3.49Å; V647-T866 HydrophobicContact CG2-CG2 4.04Å; V647-T866 PolarHBondContact N-O 2.64Å; V647-T866 PolarHBondContact O-N 2.99Å; G832-T866 PolarHBondContact N-OG1 3.46Å; G832-T866 VanDerWaalsContact N-OG1 3.12Å; T866-E870 HydrophobicContact CG2-CB 3.77Å; T866-E870 HydrophobicContact CG2-CG 4.25Å; T866-M871 HydrophobicContact CG2-CG 4.14Å; T866-M871 HydrophobicContact CG2-SD 3.85Å
867	S	98.4	Very high	97.5	Very high	32 Å²	32	52.3 Å²	52.3	22%	0.224	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	148.8	167.9	-170.1	0	0	0	0	110.8	R645 D869 E870	R645-S867 CarbonylContact O-C 2.92Å; R645-S867 WeakPolarHBondContact O-CA 3.34Å; S867-D869 PolarHBondContact O-N 2.75Å; S867-D869 VanDerWaalsContact O-N 3.09Å; S867-D869 VanDerWaalsContact OG-CG 3.31Å; S867-D869 PolarHBondContact OG-N 3.09Å; S867-D869 PolarHBondContact OG-OD2 3.17Å; S867-E870 PolarHBondContact N-OE1 3.08Å; S867-E870 PolarHBondContact O-N 3.2Å; S867-E870 VanDerWaalsContact O-N 3.11Å
868	F	98.4	Very high	97.6	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-53.1	-30.4	169.5	-78.7	20.4	0	0	0	111.7	E607 L610 V642 R645 V647 M655 E870 M871 L872	E607-F868 HydrophobicContact CG-CD2 4.1Å; L610-F868 HydrophobicContact CB-CD2 4.18Å; L610-F868 HydrophobicContact CB-CE2 3.97Å; L610-F868 HydrophobicContact CB-CZ 4.39Å; L610-F868 HydrophobicContact CD1-CB 4.29Å; L610-F868 HydrophobicContact CD1-CD2 4.21Å; L610-F868 HydrophobicContact CD1-CG 4.18Å; V642-F868 HydrophobicContact CG1-CZ 4.32Å; R645-F868 HydrophobicContact CB-CB 4.19Å; R645-F868 HydrophobicContact CB-CD1 4.47Å; R645-F868 HydrophobicContact CB-CD2 4.28Å; R645-F868 HydrophobicContact CB-CG 4.07Å; R645-F868 HydrophobicContact CG-CD2 4.44Å; R645-F868 VanDerWaalsContact O-CD1 3.31Å; R645-F868 WeakPolarHBondContact O-CD1 3.36Å; R645-F868 PolarHBondContact O-N 2.92Å; V647-F868 HydrophobicContact CG1-CD1 4.09Å; V647-F868 HydrophobicContact CG1-CE1 3.73Å; M655-F868 HydrophobicContact CE-CE1 3.89Å; M655-F868 HydrophobicContact CE-CZ 3.77Å; F868-E870 PolarHBondContact O-N 3.15Å; F868-M871 CarbonylContact O-C 3.57Å; F868-M871 WeakPolarHBondContact O-CA 3.29Å; F868-M871 WeakPolarHBondContact O-CB 3.4Å; F868-M871 PolarHBondContact O-N 3.04Å; F868-L872 WeakPolarHBondContact O-CG 3.32Å; F868-L872 PolarHBondContact O-N 3.18Å
869	D	98.4	Very high	97.6	Very high	83 Å²	83	54.5 Å²	54.5	44%	0.444	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-59.1	-31.1	-179.7	-45.3	-49.1	0	0	0	113	R645 S867 M871	R645-D869 IonicContact CZ-OD1 2.67Å; R645-D869 IonicContact NE-OD1 3.69Å; R645-D869 IonicContact NH2-OD1 2.61Å; R645-D869 PolarHBondContact NH2-OD1 2.89Å; S867-D869 PolarHBondContact O-N 2.75Å; S867-D869 VanDerWaalsContact O-N 3.09Å; S867-D869 VanDerWaalsContact OG-CG 3.31Å; S867-D869 PolarHBondContact OG-N 3.09Å; S867-D869 PolarHBondContact OG-OD2 3.17Å; D869-M871 PolarHBondContact O-N 3.33Å
870	E	98.3	Very high	97.7	Very high	74 Å²	74	54.5 Å²	54.5	35%	0.346	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-77.7	-1.8	174.9	-59.3	165.8	-112.1	0	0	112.8	H836 T866 S867 F868 T875	H836-E870 CovalentContact NE2-O 1.8Å; H836-E870 PolarHBondContact NE2-O 3.27Å; T866-E870 HydrophobicContact CG2-CB 3.77Å; T866-E870 HydrophobicContact CG2-CG 4.25Å; S867-E870 PolarHBondContact N-OE1 3.08Å; S867-E870 PolarHBondContact O-N 3.2Å; S867-E870 VanDerWaalsContact O-N 3.11Å; F868-E870 PolarHBondContact O-N 3.15Å; E870-T875 VanDerWaalsContact O-CB 3.31Å; E870-T875 WeakPolarHBondContact O-CB 3.47Å; E870-T875 PolarHBondContact O-OG1 2.8Å
871	M	98.6	Very high	97.8	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-124.5	3.4	-175.9	-65.3	169.1	48.9	0	0	113.3	G604 L605 L610 V647 M655 F835 H836 T866 F868 D869 T875	G604-M871 CarbonylContact C-O 3.59Å; G604-M871 WeakPolarHBondContact CA-O 3.44Å; L605-M871 PolarHBondContact N-O 3.03Å; L610-M871 HydrophobicContact CD1-CB 4.08Å; L610-M871 HydrophobicContact CD1-CE 4.47Å; L610-M871 HydrophobicContact CD2-CE 3.83Å; V647-M871 HydrophobicContact CG1-CE 4.43Å; V647-M871 HydrophobicContact CG1-SD 4.38Å; V647-M871 HydrophobicContact CG2-SD 3.75Å; M655-M871 HydrophobicContact CB-CE 4.4Å; M655-M871 HydrophobicContact SD-CE 3.79Å; F835-M871 HydrophobicContact CB-CE 4.26Å; F835-M871 HydrophobicContact CD1-CB 4.34Å; F835-M871 HydrophobicContact CD1-CE 3.88Å; F835-M871 HydrophobicContact CD1-CG 3.88Å; F835-M871 HydrophobicContact CD1-SD 4.36Å; F835-M871 HydrophobicContact CD2-CE 3.65Å; F835-M871 HydrophobicContact CE1-CB 4.06Å; F835-M871 HydrophobicContact CE1-CE 4.09Å; F835-M871 HydrophobicContact CE1-CG 4.12Å; F835-M871 HydrophobicContact CE2-CE 3.88Å; F835-M871 HydrophobicContact CG-CE 3.67Å; F835-M871 HydrophobicContact CG-CG 4.49Å; F835-M871 HydrophobicContact CG-SD 4.4Å; F835-M871 HydrophobicContact CZ-CE 4.08Å; H836-M871 VanDerWaalsContact CE1-CA 3.42Å; H836-M871 WeakPolarHBondContact CE1-CA 3.46Å; H836-M871 WeakPolarHBondContact NE2-CA 3.38Å; T866-M871 HydrophobicContact CG2-CG 4.14Å; T866-M871 HydrophobicContact CG2-SD 3.85Å; F868-M871 CarbonylContact O-C 3.57Å; F868-M871 WeakPolarHBondContact O-CA 3.29Å; F868-M871 WeakPolarHBondContact O-CB 3.4Å; F868-M871 PolarHBondContact O-N 3.04Å; D869-M871 PolarHBondContact O-N 3.33Å; M871-T875 WeakPolarHBondContact CA-OG1 3.42Å
872	L	98.6	Very high	97.9	Very high	40 Å²	40	47.9 Å²	47.9	21%	0.209	26%	0.26	C	S	.	.	S	Bend	trans	-75.6	168.6	178.3	-67	-172.7	0	0	0	113.2	G604 L605 E607 L610 F868 G874 T875	G604-L872 WeakPolarHBondContact CA-O 3.39Å; L605-L872 WeakPolarHBondContact O-CA 3.02Å; E607-L872 HydrophobicContact CB-CD2 3.89Å; L610-L872 HydrophobicContact CD1-CD2 4.28Å; F868-L872 WeakPolarHBondContact O-CG 3.32Å; F868-L872 PolarHBondContact O-N 3.18Å; L872-G874 PolarHBondContact O-N 3.04Å; L872-T875 PolarHBondContact N-OG1 2.82Å; L872-T875 VanDerWaalsContact O-CB 3.32Å; L872-T875 WeakPolarHBondContact O-CB 3.45Å; L872-T875 VanDerWaalsContact O-CG2 3.31Å; L872-T875 WeakPolarHBondContact O-CG2 3.37Å; L872-T875 PolarHBondContact O-N 2.87Å; L872-T875 PolarHBondContact O-OG1 2.8Å
873	P	98.4	Very high	97.9	Very high	68 Å²	68	44.2 Å²	44.2	44%	0.442	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	137.4	-178.2	-22.6	34.6	0	0	0	112.5	L605 E606	L605-P873 WeakPolarHBondContact O-CD 3.33Å; E606-P873 HydrophobicContact CG-CG 4.46Å; E606-P873 VanDerWaalsContact OE1-CG 3.29Å; E606-P873 WeakPolarHBondContact OE1-CG 3.48Å
874	G	97.5	Very high	97.8	Very high	51 Å²	51	44.3 Å²	44.3	53%	0.526	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	90	-7.1	-171.8	0	0	0	0	0	114.4	S602 L872 H876	S602-G874 PolarHBondContact OG-N 3.35Å; L872-G874 PolarHBondContact O-N 3.04Å; G874-H876 PolarHBondContact O-CE1 3.43Å; G874-H876 VanDerWaalsContact O-CE1 3.24Å; G874-H876 PolarHBondContact O-ND1 2.66Å
875	T	98.4	Very high	97.7	Very high	30 Å²	30	45.1 Å²	45.1	18%	0.184	25%	0.248	C	C	.	.			trans	-84.4	148.7	171.5	63.9	0	0	0	0	112	T603 G604 H836 E870 M871 L872	T603-T875 PolarHBondContact N-O 2.96Å; T603-T875 PolarHBondContact OG1-O 2.88Å; G604-T875 PolarHBondContact N-O 3.49Å; G604-T875 VanDerWaalsContact N-O 3.1Å; H836-T875 VanDerWaalsContact CE1-CB 3.41Å; H836-T875 WeakPolarHBondContact CE1-CB 3.38Å; H836-T875 PolarHBondContact CE1-OG1 3.06Å; H836-T875 VanDerWaalsContact NE2-CB 3.34Å; H836-T875 WeakPolarHBondContact NE2-CB 3.12Å; H836-T875 PolarHBondContact NE2-OG1 3.31Å; H836-T875 VanDerWaalsContact NE2-OG1 3.12Å; E870-T875 VanDerWaalsContact O-CB 3.31Å; E870-T875 WeakPolarHBondContact O-CB 3.47Å; E870-T875 PolarHBondContact O-OG1 2.8Å; M871-T875 WeakPolarHBondContact CA-OG1 3.42Å; L872-T875 PolarHBondContact N-OG1 2.82Å; L872-T875 VanDerWaalsContact O-CB 3.32Å; L872-T875 WeakPolarHBondContact O-CB 3.45Å; L872-T875 VanDerWaalsContact O-CG2 3.31Å; L872-T875 WeakPolarHBondContact O-CG2 3.37Å; L872-T875 PolarHBondContact O-N 2.87Å; L872-T875 PolarHBondContact O-OG1 2.8Å
876	H	98.1	Very high	97.6	Very high	93 Å²	93	41.7 Å²	41.7	43%	0.431	24%	0.241	S	C	.	.			trans	-141.6	161.6	-169.4	-64.6	84.3	0	0	0	110.6	S602 T603 G874 Q878	S602-H876 WeakPolarHBondContact CA-NE2 3.4Å; T603-H876 WeakPolarHBondContact OG1-CA 3.49Å; G874-H876 PolarHBondContact O-CE1 3.43Å; G874-H876 VanDerWaalsContact O-CE1 3.24Å; G874-H876 PolarHBondContact O-ND1 2.66Å; H876-Q878 PolarHBondContact O-N 3.44Å
877	F	98.5	Very high	97.4	Very high	19 Å²	19	41.6 Å²	41.6	8%	0.083	24%	0.241	C	C	.	.			trans	-61.4	124.7	169.9	174.4	-97.4	0	0	0	111.4	V826 N833 H836 V837 R879 E927 Q928	V826-F877 HydrophobicContact CG1-CZ 4.01Å; N833-F877 HydrophobicContact CB-CD2 4.41Å; N833-F877 HydrophobicContact CB-CE2 4.37Å; N833-F877 WeakPolarHBondContact ND2-CE2 3.4Å; N833-F877 WeakPolarHBondContact O-CD2 3.44Å; N833-F877 WeakPolarHBondContact OD1-CD2 3.29Å; H836-F877 HydrophobicContact CB-CB 3.8Å; V837-F877 HydrophobicContact CB-CD2 3.64Å; V837-F877 HydrophobicContact CB-CE2 3.83Å; V837-F877 HydrophobicContact CB-CG 4.37Å; V837-F877 HydrophobicContact CG2-CD2 4.05Å; V837-F877 HydrophobicContact CG2-CE2 4.01Å; V837-F877 HydrophobicContact CG2-CG 4.48Å; V837-F877 HydrophobicContact CG2-CZ 4.41Å; F877-R879 HydrophobicContact CD1-CG 4.11Å; F877-R879 HydrophobicContact CE1-CB 4.41Å; F877-R879 HydrophobicContact CE1-CG 3.97Å; F877-R879 PolarHBondContact O-N 3.28Å; F877-E927 HydrophobicContact CZ-CB 4.14Å; F877-Q928 HydrophobicContact CE1-CB 3.73Å; F877-Q928 HydrophobicContact CZ-CB 3.98Å
878	Q	98.4	Very high	97.2	Very high	79 Å²	79	41.4 Å²	41.4	37%	0.369	24%	0.241	S	C	.	.			trans	-88	107.6	178.2	-64.3	-179.9	51.6	0	0	109.7	N833 H876 V880 I881 E927	N833-Q878 PolarHBondContact ND2-O 2.9Å; N833-Q878 PolarHBondContact OD1-N 2.88Å; H876-Q878 PolarHBondContact O-N 3.44Å; Q878-V880 VanDerWaalsContact C-N 3.26Å; Q878-V880 PolarHBondContact O-N 3.47Å; Q878-I881 HydrophobicContact CB-CG1 3.9Å; Q878-E927 WeakPolarHBondContact O-CB 3.32Å
879	R	98.4	Very high	97.1	Very high	20 Å²	20	49.1 Å²	49.1	8%	0.075	28%	0.277	C	S	.	.	S	Bend	trans	-61.9	-34.1	177.1	-65.2	-173.9	-76.6	117.4	6	112.4	D814 F877 E927 Q928 P933 D935 L936	D814-R879 IonicContact OD2-NE 3.82Å; F877-R879 HydrophobicContact CD1-CG 4.11Å; F877-R879 HydrophobicContact CE1-CB 4.41Å; F877-R879 HydrophobicContact CE1-CG 3.97Å; F877-R879 PolarHBondContact O-N 3.28Å; R879-E927 PolarHBondContact O-N 3.29Å; R879-Q928 HydrophobicContact CB-CB 4.3Å; R879-Q928 HydrophobicContact CG-CB 4.36Å; R879-Q928 PolarHBondContact O-N 3.42Å; R879-Q928 VanDerWaalsContact O-N 3.1Å; R879-P933 HydrophobicContact CB-CB 4.15Å; R879-D935 IonicContact CZ-OD1 3.37Å; R879-D935 IonicContact CZ-OD2 3.76Å; R879-D935 IonicContact NH1-OD1 3.31Å; R879-D935 PolarHBondContact NH1-OD1 2.74Å; R879-D935 IonicContact NH1-OD2 2.83Å; R879-D935 IonicContact NH2-OD1 2.75Å; R879-D935 PolarHBondContact NH2-OD1 1.96Å; R879-D935 IonicContact NH2-OD2 3.73Å; R879-D935 PolarHBondContact NH2-OD2 3.46Å; R879-L936 HydrophobicContact CB-CD1 3.9Å
880	V	98.8	Very high	97	Very high	12 Å²	12	47.9 Å²	47.9	7%	0.073	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	136.5	173.6	176.2	0	0	0	0	107.8	Q878 T924 R925 I926 P933 L936 L937	Q878-V880 VanDerWaalsContact C-N 3.26Å; Q878-V880 PolarHBondContact O-N 3.47Å; V880-T924 HydrophobicContact CG1-CG2 3.53Å; V880-R925 CarbonylContact C-O 3.59Å; V880-R925 VanDerWaalsContact CA-O 3.29Å; V880-R925 WeakPolarHBondContact CA-O 3.39Å; V880-R925 WeakPolarHBondContact CG1-O 3.13Å; V880-I926 HydrophobicContact CG2-CG2 4.29Å; V880-P933 HydrophobicContact CG2-CB 3.92Å; V880-P933 HydrophobicContact CG2-CG 3.51Å; V880-L936 HydrophobicContact CB-CB 4.1Å; V880-L936 HydrophobicContact CB-CD1 3.93Å; V880-L936 HydrophobicContact CG2-CB 3.88Å; V880-L936 HydrophobicContact CG2-CD1 4.02Å; V880-L937 HydrophobicContact CG1-CD2 4.22Å; V880-L937 HydrophobicContact CG2-CD2 3.9Å; V880-L937 HydrophobicContact CG2-CG 4.1Å
881	I	98.5	Very high	96.8	Very high	14 Å²	14	45.8 Å²	45.8	7%	0.072	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	108.8	171.3	-51.8	169.3	0	0	0	107.9	T830 Q878 R925 E927	T830-I881 HydrophobicContact CG2-CD1 4.32Å; Q878-I881 HydrophobicContact CB-CG1 3.9Å; I881-R925 HydrophobicContact CB-CB 4.27Å; I881-R925 PolarHBondContact N-O 3.29Å; I881-R925 PolarHBondContact O-N 2.74Å; I881-E927 HydrophobicContact CD1-CG 3.71Å; I881-E927 HydrophobicContact CG1-CG 3.81Å
882	P	97.7	Very high	96.7	Very high	52 Å²	52	51.6 Å²	51.6	34%	0.338	29%	0.29	S	S	.	.			trans	-74.2	168.5	-175.5	31.7	-36.6	0	0	0	112.8	E940	P882-E940 WeakPolarHBondContact CA-OE1 3.42Å; P882-E940 VanDerWaalsContact CB-CD 3.47Å; P882-E940 WeakPolarHBondContact CB-OE1 3.38Å; P882-E940 WeakPolarHBondContact CB-OE2 3.19Å
883	E	95.8	Very high	96.6	Very high	10 Å²	10	54.9 Å²	54.9	5%	0.047	30%	0.303	C	S	.	.			trans	-66.1	134.8	168.7	177	66.7	-124.7	0	0	110.7	G885 A887 A888 R912 A922 I923 E940 K943 Y944	E883-G885 WeakPolarHBondContact OE1-CA 3.45Å; E883-G885 PolarHBondContact OE1-N 3.45Å; E883-A887 HydrophobicContact CG-CB 4.07Å; E883-A888 HydrophobicContact CG-CB 4.18Å; E883-A888 WeakPolarHBondContact O-CB 3.34Å; E883-R912 IonicContact OE1-CZ 3.21Å; E883-R912 IonicContact OE1-NH1 3.45Å; E883-R912 IonicContact OE1-NH2 3.35Å; E883-R912 PolarHBondContact OE1-NH2 2.91Å; E883-R912 IonicContact OE2-CZ 3.52Å; E883-R912 IonicContact OE2-NH1 3.04Å; E883-R912 PolarHBondContact OE2-NH1 2.75Å; E883-R912 IonicContact OE2-NH2 3.62Å; E883-R912 PolarHBondContact OE2-NH2 3.1Å; E883-A922 HydrophobicContact CB-CB 3.98Å; E883-A922 HydrophobicContact CG-CB 3.93Å; E883-I923 PolarHBondContact OE2-N 3.4Å; E883-E940 PolarHBondContact N-OE1 3.37Å; E883-E940 VanDerWaalsContact N-OE1 3.07Å; E883-K943 PolarHBondContact O-NZ 2.86Å; E883-K943 VanDerWaalsContact O-NZ 3.08Å; E883-Y944 WeakPolarHBondContact CB-OH 3.24Å
884	N	93.3	Very high	96.6	Very high	129 Å²	129	51.6 Å²	51.6	69%	0.69	28%	0.282	S	S	*	.			trans	-132.3	1.6	179.2	68.4	-5.2	0	0	0	114.6
885	G	93.4	Very high	96.6	Very high	18 Å²	18	53.7 Å²	53.7	19%	0.186	28%	0.276	C	S	.	.	S	Bend	trans	-83.1	-159.2	174.3	0	0	0	0	0	113.9	E883 A887 A888	E883-G885 WeakPolarHBondContact OE1-CA 3.45Å; E883-G885 PolarHBondContact OE1-N 3.45Å; G885-A887 VanDerWaalsContact C-N 3.33Å; G885-A887 PolarHBondContact O-N 3.1Å; G885-A888 WeakPolarHBondContact O-CB 3.28Å; G885-A888 PolarHBondContact O-N 3.48Å
886	P	95	Very high	96.5	Very high	49 Å²	49	52.2 Å²	52.2	32%	0.318	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-56.6	-40.4	-174.3	-25.2	34.5	0	0	0	114	A888 Q889 E918 E919	P886-A888 PolarHBondContact O-N 2.71Å; P886-A888 VanDerWaalsContact O-N 3.11Å; P886-Q889 WeakPolarHBondContact O-CB 3.49Å; P886-Q889 PolarHBondContact O-N 3.04Å; P886-E918 HydrophobicContact CG-CB 4.19Å; P886-E919 HydrophobicContact CB-CG 3.91Å
887	A	95	Very high	96.5	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.008	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-56.3	-23.7	173.8	0	0	0	0	0	114.4	E883 G885 V894 E918 A922 Y944	E883-A887 HydrophobicContact CG-CB 4.07Å; G885-A887 VanDerWaalsContact C-N 3.33Å; G885-A887 PolarHBondContact O-N 3.1Å; A887-V894 HydrophobicContact CB-CG2 3.78Å; A887-V894 VanDerWaalsContact O-CG2 3.25Å; A887-V894 WeakPolarHBondContact O-CG2 3.47Å; A887-E918 WeakPolarHBondContact CB-O 3.43Å; A887-E918 PolarHBondContact N-O 2.91Å; A887-A922 HydrophobicContact CB-CB 4.12Å; A887-Y944 WeakPolarHBondContact O-CE1 3.47Å
888	A	94.6	Very high	96.5	Very high	27 Å²	27	46.9 Å²	46.9	22%	0.223	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-82	-14.4	174.1	0	0	0	0	0	114.1	E883 G885 P886 Y944	E883-A888 HydrophobicContact CG-CB 4.18Å; E883-A888 WeakPolarHBondContact O-CB 3.34Å; G885-A888 WeakPolarHBondContact O-CB 3.28Å; G885-A888 PolarHBondContact O-N 3.48Å; P886-A888 PolarHBondContact O-N 2.71Å; P886-A888 VanDerWaalsContact O-N 3.11Å; A888-Y944 WeakPolarHBondContact CA-OH 3.03Å
889	Q	95.8	Very high	96.6	Very high	163 Å²	163	43.2 Å²	43.2	76%	0.762	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-28.8	-178.5	-56.1	-179.4	11.1	0	0	112.3	P886	P886-Q889 WeakPolarHBondContact O-CB 3.49Å; P886-Q889 PolarHBondContact O-N 3.04Å
890	D	95.3	Very high	96.6	Very high	56 Å²	56	42.3 Å²	42.3	30%	0.299	22%	0.222	S	C	.	.			trans	-134.8	78.2	173.1	-168.2	-21.9	0	0	0	111	H892 K893	D890-H892 PolarHBondContact O-N 3.08Å; D890-H892 PolarHBondContact OD1-N 3.29Å; D890-K893 HydrophobicContact CB-CB 4.5Å; D890-K893 HydrophobicContact CB-CD 4.15Å; D890-K893 HydrophobicContact CB-CG 4.34Å; D890-K893 PolarHBondContact O-N 3.19Å; D890-K893 PolarHBondContact OD1-N 3.41Å; D890-K893 WeakPolarHBondContact OD2-CD 3.44Å; D890-K893 WeakPolarHBondContact OD2-CE 3.37Å; D890-K893 IonicContact OD2-NZ 2.94Å; D890-K893 PolarHBondContact OD2-NZ 3.14Å
891	P	95.8	Very high	96.6	Very high	30 Å²	30	42 Å²	42	20%	0.195	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-14.7	-174.7	-24.6	35.9	0	0	0	115.1	K943 Y944	P891-K943 HydrophobicContact CB-CG 4.39Å; P891-K943 WeakPolarHBondContact CB-O 3.4Å; P891-K943 HydrophobicContact CG-CG 4.43Å; P891-Y944 HydrophobicContact CB-CD1 3.66Å; P891-Y944 HydrophobicContact CB-CE1 3.66Å; P891-Y944 HydrophobicContact CG-CE1 4.23Å
892	H	95.8	Very high	96.6	Very high	123 Å²	123	41.3 Å²	41.3	57%	0.569	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-21	176.1	-70.9	-74	0	0	0	113.2	D890 N946	D890-H892 PolarHBondContact O-N 3.08Å; D890-H892 PolarHBondContact OD1-N 3.29Å; H892-N946 PolarHBondContact O-ND2 3.48Å
893	K	95.8	Very high	96.6	Very high	108 Å²	108	39.9 Å²	39.9	47%	0.47	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-20.2	171.8	-75.4	-178.4	-173.7	130.4	0	113.7	D890 K895	D890-K893 HydrophobicContact CB-CB 4.5Å; D890-K893 HydrophobicContact CB-CD 4.15Å; D890-K893 HydrophobicContact CB-CG 4.34Å; D890-K893 PolarHBondContact O-N 3.19Å; D890-K893 PolarHBondContact OD1-N 3.41Å; D890-K893 WeakPolarHBondContact OD2-CD 3.44Å; D890-K893 WeakPolarHBondContact OD2-CE 3.37Å; D890-K893 IonicContact OD2-NZ 2.94Å; D890-K893 PolarHBondContact OD2-NZ 3.14Å; K893-K895 PolarHBondContact O-N 2.93Å
894	V	98	Very high	96.7	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.204	C	C	.	.			trans	-66	117.1	-176.2	-179.8	0	0	0	0	110.4	A887 R896 A922 Y944 A947	A887-V894 HydrophobicContact CB-CG2 3.78Å; A887-V894 VanDerWaalsContact O-CG2 3.25Å; A887-V894 WeakPolarHBondContact O-CG2 3.47Å; V894-R896 VanDerWaalsContact CG1-O 3.25Å; V894-R896 WeakPolarHBondContact CG1-O 3.09Å; V894-A922 HydrophobicContact CG1-CB 3.88Å; V894-Y944 HydrophobicContact CB-CD1 3.69Å; V894-Y944 HydrophobicContact CB-CE1 4.16Å; V894-Y944 HydrophobicContact CG1-CD1 3.95Å; V894-Y944 HydrophobicContact CG1-CE1 4.41Å; V894-Y944 HydrophobicContact CG1-CG 4.4Å; V894-Y944 HydrophobicContact CG2-CD1 3.66Å; V894-Y944 HydrophobicContact CG2-CE1 3.61Å; V894-A947 HydrophobicContact CG1-CB 4.16Å
895	K	97.5	Very high	96.9	Very high	94 Å²	94	35 Å²	35	41%	0.409	18%	0.178	S	C	.	.			trans	-89.1	-25.9	-178.7	-58.3	176.6	-169.3	167	0	112	K893 E920 A947 E948 L1012	K893-K895 PolarHBondContact O-N 2.93Å; K895-E920 HydrophobicContact CD-CB 4.42Å; K895-E920 WeakPolarHBondContact CD-OE2 3.45Å; K895-E920 VanDerWaalsContact CE-CD 3.48Å; K895-E920 WeakPolarHBondContact CE-OE1 3.37Å; K895-E920 WeakPolarHBondContact CE-OE2 3.42Å; K895-E920 PolarHBondContact N-O 3.28Å; K895-E920 IonicContact NZ-OE1 3.62Å; K895-E920 PolarHBondContact NZ-OE1 3.12Å; K895-E920 IonicContact NZ-OE2 3.91Å; K895-E920 PolarHBondContact NZ-OE2 3.22Å; K895-A947 WeakPolarHBondContact O-CA 3.25Å; K895-E948 PolarHBondContact O-N 2.96Å; K895-L1012 HydrophobicContact CB-CD1 4.43Å; K895-L1012 HydrophobicContact CB-CD2 4.22Å; K895-L1012 HydrophobicContact CD-CD1 3.67Å
896	R	97.9	Very high	97.2	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	138.2	177.6	-169.9	175.2	-71.5	165.9	-1.2	112.1	V894 L898 E920 V921 A922 E948 T1008 A1009 D1011 L1012	V894-R896 VanDerWaalsContact CG1-O 3.25Å; V894-R896 WeakPolarHBondContact CG1-O 3.09Å; R896-L898 HydrophobicContact CG-CD2 3.74Å; R896-E920 PolarHBondContact N-O 2.9Å; R896-V921 HydrophobicContact CB-CG2 4.46Å; R896-V921 WeakPolarHBondContact O-CA 3.26Å; R896-A922 PolarHBondContact O-N 3.32Å; R896-E948 CarbonylContact C-O 3.58Å; R896-E948 WeakPolarHBondContact CA-O 3.29Å; R896-E948 HydrophobicContact CB-CB 4.43Å; R896-E948 HydrophobicContact CG-CB 4.15Å; R896-E948 IonicContact CZ-OE2 2.66Å; R896-E948 IonicContact NE-OE2 3.66Å; R896-E948 PolarHBondContact NE-OE2 3.26Å; R896-E948 IonicContact NH2-OE2 3.65Å; R896-E948 PolarHBondContact NH2-OE2 3.4Å; R896-T1008 PolarHBondContact NH1-O 2.77Å; R896-A1009 PolarHBondContact NH1-O 2.98Å; R896-D1011 PolarHBondContact NH1-O 3.06Å; R896-D1011 PolarHBondContact NH2-O 3.4Å; R896-L1012 HydrophobicContact CB-CD2 4.13Å
897	L	98.3	Very high	97.3	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	117.6	170.8	176.5	61.3	0	0	0	108.5	F899 A922 E940 Y944 A947 E948 L949 A950	L897-F899 HydrophobicContact CD2-CE1 3.98Å; L897-F899 HydrophobicContact CD2-CE2 3.81Å; L897-F899 HydrophobicContact CD2-CZ 3.39Å; L897-F899 HydrophobicContact CG-CE1 4.37Å; L897-F899 HydrophobicContact CG-CE2 4.09Å; L897-F899 HydrophobicContact CG-CZ 4.01Å; L897-A922 HydrophobicContact CD1-CB 3.67Å; L897-E940 HydrophobicContact CD2-CG 4.42Å; L897-Y944 HydrophobicContact CD1-CD2 3.91Å; L897-Y944 HydrophobicContact CD1-CE2 4.07Å; L897-Y944 HydrophobicContact CD2-CD2 3.93Å; L897-Y944 HydrophobicContact CG-CD2 4.4Å; L897-A947 HydrophobicContact CB-CB 4.18Å; L897-E948 PolarHBondContact N-O 2.86Å; L897-L949 HydrophobicContact CB-CD2 3.99Å; L897-L949 HydrophobicContact CD2-CD2 3.97Å; L897-L949 HydrophobicContact CG-CD2 4.45Å; L897-A950 PolarHBondContact O-N 3.38Å
898	L	98.6	Very high	97.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	116	176	-54.8	-174.7	0	0	0	109.3	R896 L908 V921 A922 I923 T924 A950 A1009 F1010	R896-L898 HydrophobicContact CG-CD2 3.74Å; L898-L908 HydrophobicContact CD1-CD2 4.19Å; L898-V921 HydrophobicContact CD1-CG1 3.72Å; L898-V921 HydrophobicContact CG-CG1 3.69Å; L898-A922 PolarHBondContact N-O 3.36Å; L898-I923 HydrophobicContact CB-CG1 4.38Å; L898-I923 HydrophobicContact CD1-CG1 4.35Å; L898-I923 WeakPolarHBondContact O-CA 3.27Å; L898-T924 PolarHBondContact O-N 2.94Å; L898-A950 HydrophobicContact CD2-CB 3.95Å; L898-A1009 HydrophobicContact CD1-CB 4.37Å; L898-F1010 HydrophobicContact CD1-CE1 3.97Å; L898-F1010 HydrophobicContact CD1-CE2 4.43Å; L898-F1010 HydrophobicContact CD1-CZ 3.83Å
899	F	98.8	Very high	97.6	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.009	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	132.7	167.1	-65	-74.3	0	0	0	109.4	L897 T924 I926 L937 L949 A950 W951 C952 L969	L897-F899 HydrophobicContact CD2-CE1 3.98Å; L897-F899 HydrophobicContact CD2-CE2 3.81Å; L897-F899 HydrophobicContact CD2-CZ 3.39Å; L897-F899 HydrophobicContact CG-CE1 4.37Å; L897-F899 HydrophobicContact CG-CE2 4.09Å; L897-F899 HydrophobicContact CG-CZ 4.01Å; F899-T924 WeakPolarHBondContact CA-O 3.24Å; F899-T924 HydrophobicContact CD1-CG2 4.03Å; F899-T924 HydrophobicContact CE1-CG2 4.15Å; F899-I926 HydrophobicContact CB-CD1 4.37Å; F899-I926 HydrophobicContact CD1-CD1 4.4Å; F899-I926 HydrophobicContact CD1-CG1 4.49Å; F899-L937 HydrophobicContact CD1-CD2 4.03Å; F899-L937 HydrophobicContact CE1-CD2 3.76Å; F899-L949 HydrophobicContact CE2-CD2 4.27Å; F899-A950 PolarHBondContact N-O 3.1Å; F899-W951 HydrophobicContact CB-CE3 3.63Å; F899-W951 HydrophobicContact CB-CZ3 3.88Å; F899-C952 PolarHBondContact O-N 3.36Å; F899-L969 HydrophobicContact CD2-CD1 3.98Å; F899-L969 HydrophobicContact CE2-CD1 4.43Å; F899-L969 HydrophobicContact CE2-CD2 4.39Å; F899-L969 HydrophobicContact CG-CD1 4.36Å; F899-L969 HydrophobicContact CZ-CD2 4.49Å
900	C	98.8	Very high	97.7	Very high	0 Å²	0	31 Å²	31	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	179.2	176	68	0	0	0	0	112	V904 L908 T924 R925 I926 C952	C900-V904 HydrophobicContact CB-CG1 3.72Å; C900-L908 HydrophobicContact CB-CD1 3.77Å; C900-T924 PolarHBondContact N-O 2.96Å; C900-R925 CarbonylContact O-C 3.53Å; C900-R925 WeakPolarHBondContact O-CA 3.43Å; C900-I926 PolarHBondContact O-N 3.42Å; C900-C952 WeakPolarHBondContact CA-O 3.29Å; C900-C952 HydrophobicContact CB-CB 4.26Å; C900-C952 WeakPolarHBondContact CB-O 3.41Å
901	T	98.8	Very high	97.8	Very high	5 Å²	5	29.7 Å²	29.7	3%	0.031	13%	0.133	C	C	.	.			trans	-146.3	153	175.5	-168.8	0	0	0	0	111.1	V904 I926 L929 W951 Y961	T901-V904 WeakPolarHBondContact O-CG1 3.4Å; T901-I926 WeakPolarHBondContact CB-O 3.45Å; T901-I926 PolarHBondContact OG1-O 2.92Å; T901-L929 HydrophobicContact CG2-CD1 4.38Å; T901-W951 HydrophobicContact CG2-CH2 3.92Å; T901-W951 HydrophobicContact CG2-CZ2 3.97Å; T901-Y961 HydrophobicContact CG2-CD1 4.2Å; T901-Y961 HydrophobicContact CG2-CD2 3.49Å; T901-Y961 VanDerWaalsContact CG2-CD2 3.49Å; T901-Y961 HydrophobicContact CG2-CE1 4.14Å; T901-Y961 HydrophobicContact CG2-CE2 3.42Å; T901-Y961 VanDerWaalsContact CG2-CE2 3.42Å; T901-Y961 HydrophobicContact CG2-CG 3.88Å
902	G	97.9	Very high	97.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	-146.8	177.5	0	0	0	0	0	116	N827 V904 Y905	N827-G902 VanDerWaalsContact CG-CA 3.41Å; N827-G902 PolarHBondContact O-N 3.17Å; N827-G902 WeakPolarHBondContact OD1-CA 3.5Å; G902-V904 VanDerWaalsContact C-N 3.28Å; G902-V904 PolarHBondContact O-N 2.76Å; G902-Y905 PolarHBondContact O-N 3.06Å
903	K	97.8	Very high	98	Very high	23 Å²	23	29 Å²	29	10%	0.1	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-24.4	-168.6	70.7	151.6	-72.2	-78.5	0	115.6	E780 L858 Y905 Y906 D907 E954	E780-K903 HydrophobicContact CG-CD 4.17Å; L858-K903 HydrophobicContact CD1-CB 3.96Å; L858-K903 HydrophobicContact CD2-CB 3.92Å; L858-K903 HydrophobicContact CG-CB 3.92Å; K903-Y905 PolarHBondContact O-N 1.8Å; K903-Y905 VanDerWaalsContact O-N 3.12Å; K903-Y906 PolarHBondContact O-N 3.12Å; K903-D907 IonicContact NZ-OD2 3.63Å; K903-D907 PolarHBondContact NZ-OD2 2.86Å; K903-E954 WeakPolarHBondContact CD-OE1 3.47Å; K903-E954 VanDerWaalsContact CG-OE1 3.25Å; K903-E954 WeakPolarHBondContact CG-OE1 3.2Å; K903-E954 IonicContact NZ-OE1 3.78Å; K903-E954 IonicContact NZ-OE2 2.71Å; K903-E954 PolarHBondContact NZ-OE2 2.89Å
904	V	98.3	Very high	98.1	Very high	3 Å²	3	27.4 Å²	27.4	2%	0.018	13%	0.132	C	C	.	.	H	α-helix	trans	-63.6	-21.8	-175.1	80.3	0	0	0	0	112.3	C900 T901 G902 Y906 D907 L908 E954 F1005	C900-V904 HydrophobicContact CB-CG1 3.72Å; T901-V904 WeakPolarHBondContact O-CG1 3.4Å; G902-V904 VanDerWaalsContact C-N 3.28Å; G902-V904 PolarHBondContact O-N 2.76Å; V904-Y906 VanDerWaalsContact C-N 3.27Å; V904-Y906 PolarHBondContact O-N 3.09Å; V904-D907 PolarHBondContact O-N 3.2Å; V904-D907 VanDerWaalsContact O-N 3.09Å; V904-L908 HydrophobicContact CG1-CD1 4.29Å; V904-L908 WeakPolarHBondContact O-CG 3.5Å; V904-L908 PolarHBondContact O-N 2.83Å; V904-E954 HydrophobicContact CB-CB 4.35Å; V904-E954 HydrophobicContact CB-CG 4.32Å; V904-E954 HydrophobicContact CG2-CB 3.93Å; V904-E954 HydrophobicContact CG2-CG 4.44Å; V904-F1005 HydrophobicContact CG2-CE1 3.46Å; V904-F1005 VanDerWaalsContact CG2-CE1 3.46Å; V904-F1005 HydrophobicContact CG2-CZ 3.65Å
905	Y	98.5	Very high	98.1	Very high	34 Å²	34	31.1 Å²	31.1	13%	0.133	15%	0.146	C	C	.	.	H	α-helix	trans	-49.4	-45.8	169.5	173	-104.8	0	0	0	112.7	G902 K903 D907 L908 T909 I923 R925	G902-Y905 PolarHBondContact O-N 3.06Å; K903-Y905 PolarHBondContact O-N 1.8Å; K903-Y905 VanDerWaalsContact O-N 3.12Å; Y905-D907 VanDerWaalsContact C-N 3.31Å; Y905-D907 PolarHBondContact O-N 3.17Å; Y905-L908 PolarHBondContact O-N 3.05Å; Y905-T909 HydrophobicContact CD1-CG2 4.43Å; Y905-T909 HydrophobicContact CD2-CG2 4.03Å; Y905-T909 HydrophobicContact CE1-CG2 4.01Å; Y905-T909 HydrophobicContact CE2-CG2 3.57Å; Y905-T909 HydrophobicContact CG-CG2 4.44Å; Y905-T909 WeakPolarHBondContact O-CG2 3.42Å; Y905-T909 PolarHBondContact O-N 3.38Å; Y905-T909 PolarHBondContact O-OG1 3.24Å; Y905-I923 HydrophobicContact CD2-CG2 3.74Å; Y905-I923 HydrophobicContact CE2-CG2 4.02Å; Y905-R925 VanDerWaalsContact CD2-CD 3.49Å; Y905-R925 HydrophobicContact CD2-CG 3.5Å; Y905-R925 HydrophobicContact CE2-CG 4.09Å; Y905-R925 HydrophobicContact CG-CG 3.87Å; Y905-R925 PolarHBondContact OH-NH2 2.98Å
906	Y	98.1	Very high	98.1	Very high	14 Å²	14	33.2 Å²	33.2	6%	0.055	16%	0.162	C	C	.	.	H	α-helix	trans	-73.7	-20.8	-178.4	-67.5	-81.9	0	0	0	113.5	S829 L858 H861 E863 A864 K903 V904 R910	S829-Y906 PolarHBondContact O-OH 3.39Å; L858-Y906 HydrophobicContact CD1-CD2 4.28Å; L858-Y906 HydrophobicContact CD1-CE2 4.04Å; L858-Y906 HydrophobicContact CD2-CD2 3.52Å; L858-Y906 HydrophobicContact CD2-CE2 3.87Å; L858-Y906 HydrophobicContact CD2-CG 4.26Å; H861-Y906 AromaticContact CE1-CD1 3.59Å; H861-Y906 AromaticContact ND1-CD1 3.68Å; E863-Y906 HydrophobicContact CB-CD1 4.18Å; E863-Y906 HydrophobicContact CB-CE1 3.86Å; E863-Y906 PolarHBondContact O-OH 3.37Å; A864-Y906 WeakPolarHBondContact CA-OH 3.32Å; A864-Y906 HydrophobicContact CB-CE1 4.12Å; A864-Y906 HydrophobicContact CB-CE2 4.13Å; K903-Y906 PolarHBondContact O-N 3.12Å; V904-Y906 VanDerWaalsContact C-N 3.27Å; V904-Y906 PolarHBondContact O-N 3.09Å; Y906-R910 WeakPolarHBondContact O-CB 3.34Å
907	D	97.9	Very high	98.1	Very high	18 Å²	18	34.3 Å²	34.3	10%	0.096	17%	0.167	C	C	.	.	H	α-helix	trans	-78.7	-39.5	169.4	-71.1	-55.4	0	0	0	111	K903 V904 Y905 R910 E911	K903-D907 IonicContact NZ-OD2 3.63Å; K903-D907 PolarHBondContact NZ-OD2 2.86Å; V904-D907 PolarHBondContact O-N 3.2Å; V904-D907 VanDerWaalsContact O-N 3.09Å; Y905-D907 VanDerWaalsContact C-N 3.31Å; Y905-D907 PolarHBondContact O-N 3.17Å; D907-R910 IonicContact OD1-CZ 3.26Å; D907-R910 IonicContact OD1-NH1 2.7Å; D907-R910 PolarHBondContact OD1-NH1 3.18Å; D907-R910 IonicContact OD1-NH2 3.33Å; D907-R910 PolarHBondContact OD1-NH2 3.1Å; D907-E911 WeakPolarHBondContact O-CB 3.4Å; D907-E911 PolarHBondContact O-N 2.98Å
908	L	98.5	Very high	98	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-69	-44.5	178	-68.9	167.9	0	0	0	113.3	L898 C900 V904 Y905 E911 R912 I923 C952 F1005 L1006 A1009 F1010	L898-L908 HydrophobicContact CD1-CD2 4.19Å; C900-L908 HydrophobicContact CB-CD1 3.77Å; V904-L908 HydrophobicContact CG1-CD1 4.29Å; V904-L908 WeakPolarHBondContact O-CG 3.5Å; V904-L908 PolarHBondContact O-N 2.83Å; Y905-L908 PolarHBondContact O-N 3.05Å; L908-E911 PolarHBondContact O-N 2.39Å; L908-R912 WeakPolarHBondContact O-CB 3.37Å; L908-R912 PolarHBondContact O-N 2.6Å; L908-I923 HydrophobicContact CB-CD1 3.99Å; L908-I923 HydrophobicContact CD1-CG2 4.49Å; L908-C952 HydrophobicContact CD1-CB 3.76Å; L908-C952 HydrophobicContact CD2-CB 4.32Å; L908-F1005 HydrophobicContact CD2-CE2 4.37Å; L908-F1005 HydrophobicContact CD2-CZ 3.88Å; L908-F1005 HydrophobicContact CG-CZ 4.39Å; L908-L1006 HydrophobicContact CD2-CD2 3.97Å; L908-A1009 HydrophobicContact CD2-CB 4.14Å; L908-F1010 HydrophobicContact CB-CZ 4.47Å; L908-F1010 HydrophobicContact CD2-CE2 3.9Å; L908-F1010 HydrophobicContact CD2-CZ 4.26Å; L908-F1010 VanDerWaalsContact O-CZ 3.29Å; L908-F1010 WeakPolarHBondContact O-CZ 3.38Å
909	T	97.8	Very high	97.9	Very high	23 Å²	23	42.4 Å²	42.4	14%	0.141	21%	0.205	C	C	.	.	H	α-helix	trans	-65.2	-42.8	179.9	51.7	0	0	0	0	111.8	Y905 E911 R912 K913 I923	Y905-T909 HydrophobicContact CD1-CG2 4.43Å; Y905-T909 HydrophobicContact CD2-CG2 4.03Å; Y905-T909 HydrophobicContact CE1-CG2 4.01Å; Y905-T909 HydrophobicContact CE2-CG2 3.57Å; Y905-T909 HydrophobicContact CG-CG2 4.44Å; Y905-T909 WeakPolarHBondContact O-CG2 3.42Å; Y905-T909 PolarHBondContact O-N 3.38Å; Y905-T909 PolarHBondContact O-OG1 3.24Å; T909-E911 VanDerWaalsContact C-N 3.33Å; T909-E911 PolarHBondContact O-N 3.06Å; T909-R912 PolarHBondContact O-N 3.36Å; T909-K913 WeakPolarHBondContact O-CB 3.47Å; T909-K913 PolarHBondContact O-N 2.78Å; T909-I923 HydrophobicContact CG2-CD1 4.03Å
910	R	97.5	Very high	97.8	Very high	119 Å²	119	45.4 Å²	45.4	45%	0.449	22%	0.219	S	C	.	.	H	α-helix	trans	-58.3	-45.4	174.6	-174.9	-175.6	67.5	-118.4	-1.2	111.4	Y906 D907 A914	Y906-R910 WeakPolarHBondContact O-CB 3.34Å; D907-R910 IonicContact OD1-CZ 3.26Å; D907-R910 IonicContact OD1-NH1 2.7Å; D907-R910 PolarHBondContact OD1-NH1 3.18Å; D907-R910 IonicContact OD1-NH2 3.33Å; D907-R910 PolarHBondContact OD1-NH2 3.1Å; R910-A914 WeakPolarHBondContact O-CB 3.45Å; R910-A914 PolarHBondContact O-N 2.88Å
911	E	98.1	Very high	97.8	Very high	27 Å²	27	45.4 Å²	45.4	13%	0.126	22%	0.219	C	C	.	.	H	α-helix	trans	-68.9	-44.2	178.9	-168.9	69.2	-166.8	0	0	112.3	D907 L908 T909 K913 A914 R915 L1006 F1010	D907-E911 WeakPolarHBondContact O-CB 3.4Å; D907-E911 PolarHBondContact O-N 2.98Å; L908-E911 PolarHBondContact O-N 2.39Å; T909-E911 VanDerWaalsContact C-N 3.33Å; T909-E911 PolarHBondContact O-N 3.06Å; E911-K913 PolarHBondContact O-N 2.84Å; E911-A914 PolarHBondContact O-N 3Å; E911-A914 VanDerWaalsContact O-N 3.15Å; E911-R915 WeakPolarHBondContact O-CG 3.42Å; E911-R915 PolarHBondContact O-N 3.09Å; E911-R915 IonicContact OE1-CZ 3.15Å; E911-R915 IonicContact OE1-NE 3.16Å; E911-R915 PolarHBondContact OE1-NE 2.88Å; E911-R915 IonicContact OE1-NH2 2.65Å; E911-R915 PolarHBondContact OE1-NH2 3.33Å; E911-L1006 HydrophobicContact CB-CD1 4.42Å; E911-L1006 HydrophobicContact CB-CD2 4.08Å; E911-L1006 HydrophobicContact CG-CB 4.09Å; E911-L1006 HydrophobicContact CG-CD1 4.37Å; E911-L1006 HydrophobicContact CG-CD2 4.27Å; E911-L1006 HydrophobicContact CG-CG 4.47Å; E911-F1010 HydrophobicContact CB-CD2 4.14Å; E911-F1010 HydrophobicContact CB-CE2 3.75Å; E911-F1010 HydrophobicContact CG-CD2 3.65Å; E911-F1010 HydrophobicContact CG-CE2 3.81Å
912	R	98.1	Very high	97.8	Very high	12 Å²	12	45.2 Å²	45.2	5%	0.045	22%	0.218	C	C	.	.	H	α-helix	trans	-52.5	-46.2	175.2	-176.7	175	71.7	-174.8	0.6	111.2	E883 L908 T909 R915 N916 M917 E918 V921 I923 F1010	E883-R912 IonicContact OE1-CZ 3.21Å; E883-R912 IonicContact OE1-NH1 3.45Å; E883-R912 IonicContact OE1-NH2 3.35Å; E883-R912 PolarHBondContact OE1-NH2 2.91Å; E883-R912 IonicContact OE2-CZ 3.52Å; E883-R912 IonicContact OE2-NH1 3.04Å; E883-R912 PolarHBondContact OE2-NH1 2.75Å; E883-R912 IonicContact OE2-NH2 3.62Å; E883-R912 PolarHBondContact OE2-NH2 3.1Å; L908-R912 WeakPolarHBondContact O-CB 3.37Å; L908-R912 PolarHBondContact O-N 2.6Å; T909-R912 PolarHBondContact O-N 3.36Å; R912-R915 CarbonylContact O-C 3.26Å; R912-R915 PolarHBondContact O-N 3.41Å; R912-N916 PolarHBondContact O-N 2.93Å; R912-N916 VanDerWaalsContact O-N 3.1Å; R912-M917 HydrophobicContact CG-CB 4.08Å; R912-M917 PolarHBondContact O-N 3.43Å; R912-E918 HydrophobicContact CG-CG 4.11Å; R912-V921 WeakPolarHBondContact CD-O 3.46Å; R912-V921 PolarHBondContact NH1-O 2.82Å; R912-I923 HydrophobicContact CB-CD1 4.22Å; R912-F1010 HydrophobicContact CB-CE1 3.58Å; R912-F1010 HydrophobicContact CB-CZ 3.71Å; R912-F1010 HydrophobicContact CG-CE1 3.95Å
913	K	97.3	Very high	97.8	Very high	128 Å²	128	45.3 Å²	45.3	56%	0.557	22%	0.218	S	C	*	.	H	α-helix	trans	-68.3	-42.8	179.3	-172.7	167.1	-172.8	167.2	0	112.2	T909 E911 R915 N916 E918	T909-K913 WeakPolarHBondContact O-CB 3.47Å; T909-K913 PolarHBondContact O-N 2.78Å; E911-K913 PolarHBondContact O-N 2.84Å; K913-R915 PolarHBondContact O-N 3.22Å; K913-N916 PolarHBondContact O-N 3.46Å; K913-E918 HydrophobicContact CB-CG 4.48Å
914	A	97.8	Very high	97.9	Very high	73 Å²	73	44.2 Å²	44.2	60%	0.603	21%	0.213	S	C	*	.	H	α-helix	trans	-60	-30.4	174.4	0	0	0	0	0	113	R910 E911	R910-A914 WeakPolarHBondContact O-CB 3.45Å; R910-A914 PolarHBondContact O-N 2.88Å; E911-A914 PolarHBondContact O-N 3Å; E911-A914 VanDerWaalsContact O-N 3.15Å
915	R	97.6	Very high	97.9	Very high	78 Å²	78	45 Å²	45	29%	0.294	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-3.1	175.3	-62.2	-179.9	-172.3	-137.3	-2.7	114.3	E911 R912 K913 M917 D1007	E911-R915 WeakPolarHBondContact O-CG 3.42Å; E911-R915 PolarHBondContact O-N 3.09Å; E911-R915 IonicContact OE1-CZ 3.15Å; E911-R915 IonicContact OE1-NE 3.16Å; E911-R915 PolarHBondContact OE1-NE 2.88Å; E911-R915 IonicContact OE1-NH2 2.65Å; E911-R915 PolarHBondContact OE1-NH2 3.33Å; R912-R915 CarbonylContact O-C 3.26Å; R912-R915 PolarHBondContact O-N 3.41Å; K913-R915 PolarHBondContact O-N 3.22Å; R915-M917 VanDerWaalsContact C-N 3.28Å; R915-M917 HydrophobicContact CB-CG 3.74Å; R915-M917 HydrophobicContact CB-SD 3.77Å; R915-M917 PolarHBondContact O-N 3.48Å; R915-D1007 IonicContact CZ-OD1 3.94Å; R915-D1007 IonicContact NH1-OD1 2.69Å; R915-D1007 IonicContact NH2-OD1 3.51Å; R915-D1007 PolarHBondContact NH2-OD1 3.11Å
916	N	97.5	Very high	97.9	Very high	138 Å²	138	43.4 Å²	43.4	74%	0.738	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.4	31.4	-174	-49.2	-85.9	0	0	0	114.3	R912 K913 E918	R912-N916 PolarHBondContact O-N 2.93Å; R912-N916 VanDerWaalsContact O-N 3.1Å; K913-N916 PolarHBondContact O-N 3.46Å; N916-E918 PolarHBondContact O-N 2.91Å
917	M	97.6	Very high	97.9	Very high	23 Å²	23	42.7 Å²	42.7	11%	0.113	21%	0.207	C	C	.	.			trans	-96.4	24.5	-174.8	-60.3	179.6	80.1	0	0	113.3	R912 R915 E919 E920 V921 F1010 L1012	R912-M917 HydrophobicContact CG-CB 4.08Å; R912-M917 PolarHBondContact O-N 3.43Å; R915-M917 VanDerWaalsContact C-N 3.28Å; R915-M917 HydrophobicContact CB-CG 3.74Å; R915-M917 HydrophobicContact CB-SD 3.77Å; R915-M917 PolarHBondContact O-N 3.48Å; M917-E919 VanDerWaalsContact C-N 3.29Å; M917-E919 PolarHBondContact O-N 3.14Å; M917-E920 PolarHBondContact O-N 2.91Å; M917-V921 HydrophobicContact CB-CG2 4.21Å; M917-V921 HydrophobicContact CE-CG2 3.83Å; M917-V921 PolarHBondContact O-N 3.28Å; M917-V921 VanDerWaalsContact O-N 3.09Å; M917-F1010 WeakPolarHBondContact CE-O 3.29Å; M917-F1010 HydrophobicContact SD-CB 3.99Å; M917-F1010 HydrophobicContact SD-CD1 3.96Å; M917-F1010 HydrophobicContact SD-CG 4.39Å; M917-L1012 HydrophobicContact CE-CD1 3.73Å; M917-L1012 HydrophobicContact CE-CD2 4.14Å; M917-L1012 HydrophobicContact CE-CG 3.74Å
918	E	97	Very high	98	Very high	63 Å²	63	41.9 Å²	41.9	29%	0.294	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-18.5	-171.3	-61.8	-173.8	108.1	0	0	114.3	P886 A887 R912 K913 N916	P886-E918 HydrophobicContact CG-CB 4.19Å; A887-E918 WeakPolarHBondContact CB-O 3.43Å; A887-E918 PolarHBondContact N-O 2.91Å; R912-E918 HydrophobicContact CG-CG 4.11Å; K913-E918 HydrophobicContact CB-CG 4.48Å; N916-E918 PolarHBondContact O-N 2.91Å
919	E	96.5	Very high	98	Very high	108 Å²	108	41.9 Å²	41.9	51%	0.505	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-29.8	168.3	-70.3	-175.5	-143.8	0	0	113.2	P886 M917	P886-E919 HydrophobicContact CB-CG 3.91Å; M917-E919 VanDerWaalsContact C-N 3.29Å; M917-E919 PolarHBondContact O-N 3.14Å
920	E	97.2	Very high	98	Very high	65 Å²	65	40.9 Å²	40.9	30%	0.304	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-21.9	-169.4	-55	-156.9	156.4	0	0	114.1	K895 R896 M917 L1012	K895-E920 HydrophobicContact CD-CB 4.42Å; K895-E920 WeakPolarHBondContact CD-OE2 3.45Å; K895-E920 VanDerWaalsContact CE-CD 3.48Å; K895-E920 WeakPolarHBondContact CE-OE1 3.37Å; K895-E920 WeakPolarHBondContact CE-OE2 3.42Å; K895-E920 PolarHBondContact N-O 3.28Å; K895-E920 IonicContact NZ-OE1 3.62Å; K895-E920 PolarHBondContact NZ-OE1 3.12Å; K895-E920 IonicContact NZ-OE2 3.91Å; K895-E920 PolarHBondContact NZ-OE2 3.22Å; R896-E920 PolarHBondContact N-O 2.9Å; M917-E920 PolarHBondContact O-N 2.91Å; E920-L1012 WeakPolarHBondContact OE2-CD1 3.28Å
921	V	98.3	Very high	98	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	114.3	-174.4	-177.8	0	0	0	0	110.6	R896 L898 R912 M917 F1010 L1012	R896-V921 HydrophobicContact CB-CG2 4.46Å; R896-V921 WeakPolarHBondContact O-CA 3.26Å; L898-V921 HydrophobicContact CD1-CG1 3.72Å; L898-V921 HydrophobicContact CG-CG1 3.69Å; R912-V921 WeakPolarHBondContact CD-O 3.46Å; R912-V921 PolarHBondContact NH1-O 2.82Å; M917-V921 HydrophobicContact CB-CG2 4.21Å; M917-V921 HydrophobicContact CE-CG2 3.83Å; M917-V921 PolarHBondContact O-N 3.28Å; M917-V921 VanDerWaalsContact O-N 3.09Å; V921-F1010 HydrophobicContact CB-CE1 4.24Å; V921-F1010 HydrophobicContact CG1-CD1 4.3Å; V921-F1010 HydrophobicContact CG1-CE1 3.84Å; V921-F1010 HydrophobicContact CG2-CD1 4.27Å; V921-F1010 HydrophobicContact CG2-CE1 4.49Å; V921-L1012 HydrophobicContact CG2-CD2 4.38Å
922	A	98.5	Very high	98	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	146	172	0	0	0	0	0	110.9	E883 A887 V894 R896 L897 L898 Y944	E883-A922 HydrophobicContact CB-CB 3.98Å; E883-A922 HydrophobicContact CG-CB 3.93Å; A887-A922 HydrophobicContact CB-CB 4.12Å; V894-A922 HydrophobicContact CG1-CB 3.88Å; R896-A922 PolarHBondContact O-N 3.32Å; L897-A922 HydrophobicContact CD1-CB 3.67Å; L898-A922 PolarHBondContact N-O 3.36Å; A922-Y944 HydrophobicContact CB-CD2 4.4Å; A922-Y944 HydrophobicContact CB-CE1 4.13Å; A922-Y944 HydrophobicContact CB-CE2 3.89Å
923	I	98.7	Very high	97.9	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.01	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	115.8	177.9	-56.7	168.2	0	0	0	108.9	E883 L898 Y905 L908 T909 R912 F1010	E883-I923 PolarHBondContact OE2-N 3.4Å; L898-I923 HydrophobicContact CB-CG1 4.38Å; L898-I923 HydrophobicContact CD1-CG1 4.35Å; L898-I923 WeakPolarHBondContact O-CA 3.27Å; Y905-I923 HydrophobicContact CD2-CG2 3.74Å; Y905-I923 HydrophobicContact CE2-CG2 4.02Å; L908-I923 HydrophobicContact CB-CD1 3.99Å; L908-I923 HydrophobicContact CD1-CG2 4.49Å; T909-I923 HydrophobicContact CG2-CD1 4.03Å; R912-I923 HydrophobicContact CB-CD1 4.22Å; I923-F1010 HydrophobicContact CD1-CZ 4.47Å
924	T	98.6	Very high	97.9	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	135.4	179.8	-67.1	0	0	0	0	110.8	V880 L898 F899 C900 E940	V880-T924 HydrophobicContact CG1-CG2 3.53Å; L898-T924 PolarHBondContact O-N 2.94Å; F899-T924 WeakPolarHBondContact CA-O 3.24Å; F899-T924 HydrophobicContact CD1-CG2 4.03Å; F899-T924 HydrophobicContact CE1-CG2 4.15Å; C900-T924 PolarHBondContact N-O 2.96Å; T924-E940 HydrophobicContact CG2-CG 4.08Å; T924-E940 WeakPolarHBondContact OG1-CG 3.34Å; T924-E940 PolarHBondContact OG1-OE1 2.83Å
925	R	98.7	Very high	97.9	Very high	20 Å²	20	25 Å²	25	8%	0.075	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	127.8	179.2	-68.9	170.1	-90.4	170.2	-3.4	111	S829 T830 V880 I881 C900 Y905	S829-R925 WeakPolarHBondContact OG-CD 3.45Å; S829-R925 PolarHBondContact OG-NH1 2.99Å; T830-R925 VanDerWaalsContact CG2-NH1 3.35Å; V880-R925 CarbonylContact C-O 3.59Å; V880-R925 VanDerWaalsContact CA-O 3.29Å; V880-R925 WeakPolarHBondContact CA-O 3.39Å; V880-R925 WeakPolarHBondContact CG1-O 3.13Å; I881-R925 HydrophobicContact CB-CB 4.27Å; I881-R925 PolarHBondContact N-O 3.29Å; I881-R925 PolarHBondContact O-N 2.74Å; C900-R925 CarbonylContact O-C 3.53Å; C900-R925 WeakPolarHBondContact O-CA 3.43Å; Y905-R925 VanDerWaalsContact CD2-CD 3.49Å; Y905-R925 HydrophobicContact CD2-CG 3.5Å; Y905-R925 HydrophobicContact CE2-CG 4.09Å; Y905-R925 HydrophobicContact CG-CG 3.87Å; Y905-R925 PolarHBondContact OH-NH2 2.98Å
926	I	98.8	Very high	97.9	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	109.1	167.5	-38.6	-172.6	0	0	0	106.9	V880 F899 C900 T901 Q928 L929 P933 L937 W951 V965	V880-I926 HydrophobicContact CG2-CG2 4.29Å; F899-I926 HydrophobicContact CB-CD1 4.37Å; F899-I926 HydrophobicContact CD1-CD1 4.4Å; F899-I926 HydrophobicContact CD1-CG1 4.49Å; C900-I926 PolarHBondContact O-N 3.42Å; T901-I926 WeakPolarHBondContact CB-O 3.45Å; T901-I926 PolarHBondContact OG1-O 2.92Å; I926-Q928 WeakPolarHBondContact CG2-O 3.22Å; I926-L929 HydrophobicContact CB-CD2 3.79Å; I926-L929 HydrophobicContact CG2-CD2 3.63Å; I926-P933 HydrophobicContact CG2-CG 3.86Å; I926-L937 HydrophobicContact CD1-CD1 3.92Å; I926-L937 HydrophobicContact CD1-CD2 3.84Å; I926-L937 HydrophobicContact CG1-CD2 3.98Å; I926-L937 HydrophobicContact CG2-CD1 4.45Å; I926-W951 HydrophobicContact CD1-CE3 4.42Å; I926-W951 HydrophobicContact CD1-CH2 4.42Å; I926-W951 HydrophobicContact CD1-CZ3 3.63Å; I926-W951 HydrophobicContact CG1-CZ3 4.06Å; I926-V965 HydrophobicContact CD1-CG1 4.28Å
927	E	98.8	Very high	97.9	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.082	C	C	.	.			trans	-93.7	-36.1	-172.9	-61.3	-87.2	121.6	0	0	111.3	V826 N827 C828 S829 N833 F877 Q878 R879 I881	V826-E927 CarbonylContact C-O 3.56Å; V826-E927 WeakPolarHBondContact CA-O 3.41Å; V826-E927 WeakPolarHBondContact CB-O 2.96Å; N827-E927 PolarHBondContact N-O 3.47Å; C828-E927 VanDerWaalsContact CA-OE2 3.29Å; C828-E927 WeakPolarHBondContact CA-OE2 3Å; S829-E927 WeakPolarHBondContact CB-OE1 3.17Å; S829-E927 PolarHBondContact N-OE1 3.1Å; S829-E927 VanDerWaalsContact N-OE1 3.16Å; S829-E927 PolarHBondContact N-OE2 2.86Å; S829-E927 PolarHBondContact OG-OE1 3.03Å; N833-E927 WeakPolarHBondContact ND2-CB 3.37Å; N833-E927 VanDerWaalsContact ND2-CG 3.28Å; N833-E927 WeakPolarHBondContact ND2-CG 3.48Å; N833-E927 PolarHBondContact ND2-OE2 3.36Å; F877-E927 HydrophobicContact CZ-CB 4.14Å; Q878-E927 WeakPolarHBondContact O-CB 3.32Å; R879-E927 PolarHBondContact O-N 3.29Å; I881-E927 HydrophobicContact CD1-CG 3.71Å; I881-E927 HydrophobicContact CG1-CG 3.81Å
928	Q	98.7	Very high	97.8	Very high	1 Å²	1	18 Å²	18	1%	0.005	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	123.1	168.1	176.5	-174.2	-63.7	0	0	109.5	V826 F877 R879 I926 S930 P931 P933	V826-Q928 HydrophobicContact CG1-CB 4.03Å; V826-Q928 HydrophobicContact CG1-CG 4.22Å; F877-Q928 HydrophobicContact CE1-CB 3.73Å; F877-Q928 HydrophobicContact CZ-CB 3.98Å; R879-Q928 HydrophobicContact CB-CB 4.3Å; R879-Q928 HydrophobicContact CG-CB 4.36Å; R879-Q928 PolarHBondContact O-N 3.42Å; R879-Q928 VanDerWaalsContact O-N 3.1Å; I926-Q928 WeakPolarHBondContact CG2-O 3.22Å; Q928-S930 WeakPolarHBondContact CG-O 3.26Å; Q928-P931 PolarHBondContact NE2-O 3.28Å; Q928-P933 WeakPolarHBondContact O-CD 3.42Å
929	L	98.3	Very high	97.8	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	-36.5	-178.6	-53	-174.3	0	0	0	111.4	L795 V825 T901 I926 P931 F932 Y961 Y964	L795-L929 HydrophobicContact CD1-CD1 4.03Å; L795-L929 HydrophobicContact CD2-CB 3.97Å; V825-L929 PolarHBondContact O-N 2.97Å; T901-L929 HydrophobicContact CG2-CD1 4.38Å; I926-L929 HydrophobicContact CB-CD2 3.79Å; I926-L929 HydrophobicContact CG2-CD2 3.63Å; L929-P931 CarbonylContact O-C 3.52Å; L929-F932 VanDerWaalsContact O-CA 3.27Å; L929-F932 WeakPolarHBondContact O-CA 3.49Å; L929-F932 PolarHBondContact O-N 3.06Å; L929-Y961 HydrophobicContact CD1-CD1 3.16Å; L929-Y961 HydrophobicContact CD1-CE1 3.28Å; L929-Y961 HydrophobicContact CD1-CG 4.14Å; L929-Y964 VanDerWaalsContact O-CE1 3.3Å; L929-Y964 WeakPolarHBondContact O-CE1 3.19Å; L929-Y964 PolarHBondContact O-OH 3.1Å
930	S	97.9	Very high	97.8	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.007	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	130.8	170.8	-177	0	0	0	0	109.8	C798 W823 I824 V825 Q928	C798-S930 WeakPolarHBondContact SG-CB 3.35Å; C798-S930 PolarHBondContact SG-OG 2.81Å; W823-S930 PolarHBondContact O-OG 3Å; I824-S930 CarbonylContact C-O 3.56Å; I824-S930 WeakPolarHBondContact CA-O 3.39Å; V825-S930 PolarHBondContact N-O 3.15Å; V825-S930 PolarHBondContact O-N 3.26Å; Q928-S930 WeakPolarHBondContact CG-O 3.26Å
931	P	97.6	Very high	97.8	Very high	6 Å²	6	13.8 Å²	13.8	4%	0.039	7%	0.067	C	C	.	.	S	Bend	cis	-56.6	146	-15	-16.7	24	0	0	0	112.4	Q817 L818 C821 Q928 L929	Q817-P931 HydrophobicContact CB-CB 3.76Å; Q817-P931 HydrophobicContact CB-CG 3.95Å; Q817-P931 HydrophobicContact CG-CB 4.41Å; Q817-P931 VanDerWaalsContact O-CG 3.24Å; Q817-P931 WeakPolarHBondContact O-CG 3.47Å; L818-P931 HydrophobicContact CD2-CG 3.89Å; L818-P931 HydrophobicContact CG-CG 4.27Å; C821-P931 HydrophobicContact CB-CG 3.84Å; Q928-P931 PolarHBondContact NE2-O 3.28Å; L929-P931 CarbonylContact O-C 3.52Å
932	F	98.1	Very high	97.6	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.096	C	C	.	.			trans	-74.4	128.4	-176	-169.3	-99.6	0	0	0	112	Q817 L929 F934 L937 Y964 V965 R968 L969	Q817-F932 PolarHBondContact NE2-O 3.16Å; L929-F932 VanDerWaalsContact O-CA 3.27Å; L929-F932 WeakPolarHBondContact O-CA 3.49Å; L929-F932 PolarHBondContact O-N 3.06Å; F932-F934 VanDerWaalsContact C-N 3.28Å; F932-F934 HydrophobicContact CB-CD2 4.26Å; F932-F934 HydrophobicContact CB-CE2 3.9Å; F932-F934 HydrophobicContact CB-CZ 4.4Å; F932-F934 AromaticContact CD1-CD1 3.89Å; F932-F934 HydrophobicContact CD1-CD1 3.89Å; F932-F934 AromaticContact CD1-CD2 3.9Å; F932-F934 HydrophobicContact CD1-CD2 3.9Å; F932-F934 AromaticContact CD1-CE1 3.88Å; F932-F934 HydrophobicContact CD1-CE1 3.88Å; F932-F934 AromaticContact CD1-CE2 3.89Å; F932-F934 HydrophobicContact CD1-CE2 3.89Å; F932-F934 AromaticContact CD1-CG 3.89Å; F932-F934 HydrophobicContact CD1-CG 3.89Å; F932-F934 AromaticContact CD1-CZ 3.88Å; F932-F934 HydrophobicContact CD1-CZ 3.88Å; F932-F934 HydrophobicContact CE1-CD1 4.25Å; F932-F934 HydrophobicContact CE1-CE1 4.35Å; F932-F934 HydrophobicContact CG-CE2 4.37Å; F932-F934 WeakPolarHBondContact O-CD2 3.29Å; F932-F934 PolarHBondContact O-N 3.4Å; F932-L937 HydrophobicContact CD1-CD1 4.27Å; F932-L937 HydrophobicContact CE1-CD1 3.47Å; F932-L937 VanDerWaalsContact CE1-CD1 3.47Å; F932-L937 HydrophobicContact CE2-CD1 3.91Å; F932-L937 HydrophobicContact CZ-CD1 3.26Å; F932-Y964 HydrophobicContact CD2-CE1 4.08Å; F932-V965 HydrophobicContact CE2-CB 4.49Å; F932-V965 HydrophobicContact CE2-CG1 4.1Å; F932-V965 HydrophobicContact CE2-CG2 4.36Å; F932-V965 HydrophobicContact CZ-CG1 4.4Å; F932-R968 HydrophobicContact CD1-CB 3.68Å; F932-R968 HydrophobicContact CD1-CG 4.41Å; F932-R968 HydrophobicContact CD2-CB 4.18Å; F932-R968 HydrophobicContact CE1-CB 3.57Å; F932-R968 HydrophobicContact CE2-CB 4.09Å; F932-R968 HydrophobicContact CG-CB 3.97Å; F932-R968 HydrophobicContact CG-CG 4.36Å; F932-R968 HydrophobicContact CZ-CB 3.78Å; F932-L969 HydrophobicContact CZ-CD2 3.98Å; F932-L969 HydrophobicContact CZ-CG 3.99Å
933	P	97.2	Very high	97.6	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.109	C	C	.	.			trans	-84.8	62.5	-170.7	33.5	-34.9	0	0	0	113	R879 V880 I926 Q928 D935 L936 L937	R879-P933 HydrophobicContact CB-CB 4.15Å; V880-P933 HydrophobicContact CG2-CB 3.92Å; V880-P933 HydrophobicContact CG2-CG 3.51Å; I926-P933 HydrophobicContact CG2-CG 3.86Å; Q928-P933 WeakPolarHBondContact O-CD 3.42Å; P933-D935 PolarHBondContact O-N 3.03Å; P933-L936 HydrophobicContact CB-CB 4.49Å; P933-L936 HydrophobicContact CB-CD1 4.48Å; P933-L936 PolarHBondContact O-N 3.41Å; P933-L936 VanDerWaalsContact O-N 3.15Å; P933-L937 HydrophobicContact CG-CD1 3.85Å; P933-L937 HydrophobicContact CG-CG 4.22Å; P933-L937 WeakPolarHBondContact O-CG 3.29Å; P933-L937 PolarHBondContact O-N 3.47Å
934	F	97.2	Very high	97.5	Very high	5 Å²	5	22.8 Å²	22.8	2%	0.022	11%	0.108	C	C	.	.	H	α-helix	trans	-48.4	-44.6	177.9	-67	-87.1	0	0	0	112.7	L805 P806 L808 F932 L936 L937 L938 R968 T972	L805-F934 HydrophobicContact CD1-CB 4.25Å; L805-F934 HydrophobicContact CD1-CD1 3.7Å; L805-F934 HydrophobicContact CD1-CE1 4.38Å; L805-F934 HydrophobicContact CD1-CG 4.23Å; P806-F934 HydrophobicContact CG-CD2 3.75Å; P806-F934 HydrophobicContact CG-CE2 4.11Å; P806-F934 HydrophobicContact CG-CG 4.27Å; L808-F934 HydrophobicContact CD2-CB 3.76Å; F932-F934 VanDerWaalsContact C-N 3.28Å; F932-F934 HydrophobicContact CB-CD2 4.26Å; F932-F934 HydrophobicContact CB-CE2 3.9Å; F932-F934 HydrophobicContact CB-CZ 4.4Å; F932-F934 AromaticContact CD1-CD1 3.89Å; F932-F934 HydrophobicContact CD1-CD1 3.89Å; F932-F934 AromaticContact CD1-CD2 3.9Å; F932-F934 HydrophobicContact CD1-CD2 3.9Å; F932-F934 AromaticContact CD1-CE1 3.88Å; F932-F934 HydrophobicContact CD1-CE1 3.88Å; F932-F934 AromaticContact CD1-CE2 3.89Å; F932-F934 HydrophobicContact CD1-CE2 3.89Å; F932-F934 AromaticContact CD1-CG 3.89Å; F932-F934 HydrophobicContact CD1-CG 3.89Å; F932-F934 AromaticContact CD1-CZ 3.88Å; F932-F934 HydrophobicContact CD1-CZ 3.88Å; F932-F934 HydrophobicContact CE1-CD1 4.25Å; F932-F934 HydrophobicContact CE1-CE1 4.35Å; F932-F934 HydrophobicContact CG-CE2 4.37Å; F932-F934 WeakPolarHBondContact O-CD2 3.29Å; F932-F934 PolarHBondContact O-N 3.4Å; F934-L936 VanDerWaalsContact C-N 3.31Å; F934-L936 PolarHBondContact O-N 3.16Å; F934-L937 PolarHBondContact O-N 3.2Å; F934-L938 WeakPolarHBondContact O-CB 3.45Å; F934-L938 PolarHBondContact O-N 2.68Å; F934-R968 HydrophobicContact CE1-CB 4.26Å; F934-R968 HydrophobicContact CZ-CB 4.34Å; F934-R968 HydrophobicContact CZ-CG 4.29Å; F934-T972 VanDerWaalsContact CD1-OG1 3.23Å; F934-T972 WeakPolarHBondContact CD1-OG1 3.49Å; F934-T972 WeakPolarHBondContact O-CG2 3.34Å
935	D	96.4	Very high	97.3	Very high	16 Å²	16	25.6 Å²	25.6	9%	0.086	13%	0.126	C	C	.	.	H	α-helix	trans	-64.5	-27.9	-176.7	71.2	-59.5	0	0	0	114.3	L808 F813 R879 P933 K939	L808-D935 HydrophobicContact CD2-CB 4.22Å; F813-D935 HydrophobicContact CD1-CB 4.23Å; F813-D935 HydrophobicContact CE1-CB 3.81Å; R879-D935 IonicContact CZ-OD1 3.37Å; R879-D935 IonicContact CZ-OD2 3.76Å; R879-D935 IonicContact NH1-OD1 3.31Å; R879-D935 PolarHBondContact NH1-OD1 2.74Å; R879-D935 IonicContact NH1-OD2 2.83Å; R879-D935 IonicContact NH2-OD1 2.75Å; R879-D935 PolarHBondContact NH2-OD1 1.96Å; R879-D935 IonicContact NH2-OD2 3.73Å; R879-D935 PolarHBondContact NH2-OD2 3.46Å; P933-D935 PolarHBondContact O-N 3.03Å; D935-K939 WeakPolarHBondContact O-CD 3.38Å; D935-K939 WeakPolarHBondContact O-CE 3.24Å; D935-K939 VanDerWaalsContact O-CG 3.3Å; D935-K939 WeakPolarHBondContact O-CG 3.46Å; D935-K939 PolarHBondContact O-NZ 2.88Å; D935-K939 IonicContact OD2-NZ 3.86Å
936	L	97.6	Very high	97.1	Very high	50 Å²	50	29.6 Å²	29.6	26%	0.262	15%	0.149	S	C	.	.	H	α-helix	trans	-92	-39	178.1	-59.8	-176	0	0	0	111.1	R879 V880 P933 F934 K939 E940	R879-L936 HydrophobicContact CB-CD1 3.9Å; V880-L936 HydrophobicContact CB-CB 4.1Å; V880-L936 HydrophobicContact CB-CD1 3.93Å; V880-L936 HydrophobicContact CG2-CB 3.88Å; V880-L936 HydrophobicContact CG2-CD1 4.02Å; P933-L936 HydrophobicContact CB-CB 4.49Å; P933-L936 HydrophobicContact CB-CD1 4.48Å; P933-L936 PolarHBondContact O-N 3.41Å; P933-L936 VanDerWaalsContact O-N 3.15Å; F934-L936 VanDerWaalsContact C-N 3.31Å; F934-L936 PolarHBondContact O-N 3.16Å; L936-K939 PolarHBondContact O-N 3.44Å; L936-E940 PolarHBondContact O-N 3.32Å
937	L	97.5	Very high	97	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-71.4	-31.5	-178	-65	169.7	0	0	0	112.2	V880 F899 I926 F932 P933 F934 A941 L969 T972	V880-L937 HydrophobicContact CG1-CD2 4.22Å; V880-L937 HydrophobicContact CG2-CD2 3.9Å; V880-L937 HydrophobicContact CG2-CG 4.1Å; F899-L937 HydrophobicContact CD1-CD2 4.03Å; F899-L937 HydrophobicContact CE1-CD2 3.76Å; I926-L937 HydrophobicContact CD1-CD1 3.92Å; I926-L937 HydrophobicContact CD1-CD2 3.84Å; I926-L937 HydrophobicContact CG1-CD2 3.98Å; I926-L937 HydrophobicContact CG2-CD1 4.45Å; F932-L937 HydrophobicContact CD1-CD1 4.27Å; F932-L937 HydrophobicContact CE1-CD1 3.47Å; F932-L937 VanDerWaalsContact CE1-CD1 3.47Å; F932-L937 HydrophobicContact CE2-CD1 3.91Å; F932-L937 HydrophobicContact CZ-CD1 3.26Å; P933-L937 HydrophobicContact CG-CD1 3.85Å; P933-L937 HydrophobicContact CG-CG 4.22Å; P933-L937 WeakPolarHBondContact O-CG 3.29Å; P933-L937 PolarHBondContact O-N 3.47Å; F934-L937 PolarHBondContact O-N 3.2Å; L937-A941 VanDerWaalsContact O-CB 3.23Å; L937-A941 WeakPolarHBondContact O-CB 3.35Å; L937-A941 PolarHBondContact O-N 2.87Å; L937-L969 HydrophobicContact CB-CD2 4.27Å; L937-L969 HydrophobicContact CD1-CD2 3.97Å; L937-T972 HydrophobicContact CB-CG2 4.2Å
938	L	96.7	Very high	96.9	Very high	40 Å²	40	31.8 Å²	31.8	21%	0.209	16%	0.16	C	C	.	.	H	α-helix	trans	-61.1	-46.9	169.5	179.2	53.8	0	0	0	111.3	L808 F934 A941 Q942 T972	L808-L938 HydrophobicContact CD1-CD2 3.72Å; F934-L938 WeakPolarHBondContact O-CB 3.45Å; F934-L938 PolarHBondContact O-N 2.68Å; L938-A941 PolarHBondContact O-N 2.9Å; L938-Q942 HydrophobicContact CD1-CG 4.09Å; L938-Q942 WeakPolarHBondContact O-CB 3.38Å; L938-Q942 VanDerWaalsContact O-CG 3.27Å; L938-Q942 WeakPolarHBondContact O-CG 3.43Å; L938-Q942 PolarHBondContact O-N 2.94Å; L938-T972 HydrophobicContact CB-CG2 3.76Å; L938-T972 WeakPolarHBondContact CD1-O 3.42Å
939	K	96.5	Very high	96.8	Very high	121 Å²	121	32 Å²	32	53%	0.526	16%	0.161	S	C	.	.	H	α-helix	trans	-63.3	-45.5	-179.7	-65.3	167.6	-170.4	135.3	0	111.5	D935 L936 Q942 K943	D935-K939 WeakPolarHBondContact O-CD 3.38Å; D935-K939 WeakPolarHBondContact O-CE 3.24Å; D935-K939 VanDerWaalsContact O-CG 3.3Å; D935-K939 WeakPolarHBondContact O-CG 3.46Å; D935-K939 PolarHBondContact O-NZ 2.88Å; D935-K939 IonicContact OD2-NZ 3.86Å; L936-K939 PolarHBondContact O-N 3.44Å; K939-Q942 PolarHBondContact O-N 3.4Å; K939-K943 WeakPolarHBondContact O-CB 3.36Å; K939-K943 PolarHBondContact O-N 2.56Å
940	E	97.1	Very high	96.8	Very high	15 Å²	15	32 Å²	32	7%	0.07	16%	0.161	C	C	.	.	H	α-helix	trans	-69.7	-35.6	178	-167.3	77.8	166.9	0	0	112.2	P882 E883 L897 T924 L936 K943 Y944	P882-E940 WeakPolarHBondContact CA-OE1 3.42Å; P882-E940 VanDerWaalsContact CB-CD 3.47Å; P882-E940 WeakPolarHBondContact CB-OE1 3.38Å; P882-E940 WeakPolarHBondContact CB-OE2 3.19Å; E883-E940 PolarHBondContact N-OE1 3.37Å; E883-E940 VanDerWaalsContact N-OE1 3.07Å; L897-E940 HydrophobicContact CD2-CG 4.42Å; T924-E940 HydrophobicContact CG2-CG 4.08Å; T924-E940 WeakPolarHBondContact OG1-CG 3.34Å; T924-E940 PolarHBondContact OG1-OE1 2.83Å; L936-E940 PolarHBondContact O-N 3.32Å; E940-K943 WeakPolarHBondContact O-CB 3.46Å; E940-K943 PolarHBondContact O-N 3.01Å; E940-K943 IonicContact OE1-NZ 2.83Å; E940-K943 PolarHBondContact OE1-NZ 3.03Å; E940-K943 WeakPolarHBondContact OE2-CD 3.23Å; E940-K943 IonicContact OE2-NZ 2.94Å; E940-K943 PolarHBondContact OE2-NZ 2.85Å; E940-Y944 HydrophobicContact CG-CD2 4.46Å; E940-Y944 HydrophobicContact CG-CE2 4.25Å; E940-Y944 WeakPolarHBondContact O-CD2 3.28Å
941	A	95.9	Very high	96.8	Very high	12 Å²	12	31.9 Å²	31.9	10%	0.099	16%	0.161	C	C	.	.	H	α-helix	trans	-66.7	-36.3	173.8	0	0	0	0	0	112.5	L937 L938 I973	L937-A941 VanDerWaalsContact O-CB 3.23Å; L937-A941 WeakPolarHBondContact O-CB 3.35Å; L937-A941 PolarHBondContact O-N 2.87Å; L938-A941 PolarHBondContact O-N 2.9Å; A941-I973 HydrophobicContact CB-CG2 3.83Å
942	Q	95.7	Very high	96.8	Very high	128 Å²	128	31.6 Å²	31.6	60%	0.598	16%	0.159	S	C	*	.	H	α-helix	trans	-71.5	-33.6	175.8	-74.8	174.4	-10.1	0	0	113.1	L938 K939 Y944	L938-Q942 HydrophobicContact CD1-CG 4.09Å; L938-Q942 WeakPolarHBondContact O-CB 3.38Å; L938-Q942 VanDerWaalsContact O-CG 3.27Å; L938-Q942 WeakPolarHBondContact O-CG 3.43Å; L938-Q942 PolarHBondContact O-N 2.94Å; K939-Q942 PolarHBondContact O-N 3.4Å; Q942-Y944 PolarHBondContact O-N 3.11Å
943	K	97	Very high	96.8	Very high	64 Å²	64	31.7 Å²	31.7	28%	0.278	16%	0.159	S	C	.	.	H	α-helix	trans	-56.9	-30.8	174.7	179	-169.7	176.7	-160.4	0	112.6	E883 P891 K939 E940 P945	E883-K943 PolarHBondContact O-NZ 2.86Å; E883-K943 VanDerWaalsContact O-NZ 3.08Å; P891-K943 HydrophobicContact CB-CG 4.39Å; P891-K943 WeakPolarHBondContact CB-O 3.4Å; P891-K943 HydrophobicContact CG-CG 4.43Å; K939-K943 WeakPolarHBondContact O-CB 3.36Å; K939-K943 PolarHBondContact O-N 2.56Å; E940-K943 WeakPolarHBondContact O-CB 3.46Å; E940-K943 PolarHBondContact O-N 3.01Å; E940-K943 IonicContact OE1-NZ 2.83Å; E940-K943 PolarHBondContact OE1-NZ 3.03Å; E940-K943 WeakPolarHBondContact OE2-CD 3.23Å; E940-K943 IonicContact OE2-NZ 2.94Å; E940-K943 PolarHBondContact OE2-NZ 2.85Å; K943-P945 WeakPolarHBondContact O-CD 3.35Å
944	Y	97.1	Very high	96.9	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.16	C	C	.	.			trans	-114.2	65.5	-177.3	-62.4	-64.8	0	0	0	112.6	E883 A887 A888 P891 V894 L897 A922 E940 Q942 N946 A947	E883-Y944 WeakPolarHBondContact CB-OH 3.24Å; A887-Y944 WeakPolarHBondContact O-CE1 3.47Å; A888-Y944 WeakPolarHBondContact CA-OH 3.03Å; P891-Y944 HydrophobicContact CB-CD1 3.66Å; P891-Y944 HydrophobicContact CB-CE1 3.66Å; P891-Y944 HydrophobicContact CG-CE1 4.23Å; V894-Y944 HydrophobicContact CB-CD1 3.69Å; V894-Y944 HydrophobicContact CB-CE1 4.16Å; V894-Y944 HydrophobicContact CG1-CD1 3.95Å; V894-Y944 HydrophobicContact CG1-CE1 4.41Å; V894-Y944 HydrophobicContact CG1-CG 4.4Å; V894-Y944 HydrophobicContact CG2-CD1 3.66Å; V894-Y944 HydrophobicContact CG2-CE1 3.61Å; L897-Y944 HydrophobicContact CD1-CD2 3.91Å; L897-Y944 HydrophobicContact CD1-CE2 4.07Å; L897-Y944 HydrophobicContact CD2-CD2 3.93Å; L897-Y944 HydrophobicContact CG-CD2 4.4Å; A922-Y944 HydrophobicContact CB-CD2 4.4Å; A922-Y944 HydrophobicContact CB-CE1 4.13Å; A922-Y944 HydrophobicContact CB-CE2 3.89Å; E940-Y944 HydrophobicContact CG-CD2 4.46Å; E940-Y944 HydrophobicContact CG-CE2 4.25Å; E940-Y944 WeakPolarHBondContact O-CD2 3.28Å; Q942-Y944 PolarHBondContact O-N 3.11Å; Y944-N946 VanDerWaalsContact C-N 3.26Å; Y944-N946 PolarHBondContact O-N 2.69Å; Y944-N946 VanDerWaalsContact O-N 3.15Å; Y944-A947 WeakPolarHBondContact O-CB 3.33Å; Y944-A947 PolarHBondContact O-N 3.26Å; Y944-A947 VanDerWaalsContact O-N 3.1Å
945	P	94.7	Very high	96.9	Very high	58 Å²	58	31.9 Å²	31.9	38%	0.377	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-26.4	-167.9	27.3	-36.2	0	0	0	113.7	K943 K977	K943-P945 WeakPolarHBondContact O-CD 3.35Å; P945-K977 PolarHBondContact O-NZ 2.85Å
946	N	94.5	Very high	97	Very high	105 Å²	105	31.6 Å²	31.6	56%	0.561	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-12.5	179.8	-68	-17	0	0	0	113.8	H892 Y944	H892-N946 PolarHBondContact O-ND2 3.48Å; Y944-N946 VanDerWaalsContact C-N 3.26Å; Y944-N946 PolarHBondContact O-N 2.69Å; Y944-N946 VanDerWaalsContact O-N 3.15Å
947	A	96.4	Very high	97.1	Very high	2 Å²	2	33 Å²	33	2%	0.017	16%	0.162	C	C	.	.			trans	-78.2	144.8	-168.6	0	0	0	0	0	114.1	V894 K895 L897 Y944 K977	V894-A947 HydrophobicContact CG1-CB 4.16Å; K895-A947 WeakPolarHBondContact O-CA 3.25Å; L897-A947 HydrophobicContact CB-CB 4.18Å; Y944-A947 WeakPolarHBondContact O-CB 3.33Å; Y944-A947 PolarHBondContact O-N 3.26Å; Y944-A947 VanDerWaalsContact O-N 3.1Å; A947-K977 PolarHBondContact O-NZ 2.75Å
948	E	96.2	Very high	97.1	Very high	43 Å²	43	36.5 Å²	36.5	20%	0.201	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	146.7	154.6	-65.7	-175.9	154	0	0	110.2	K895 R896 L897	K895-E948 PolarHBondContact O-N 2.96Å; R896-E948 CarbonylContact C-O 3.58Å; R896-E948 WeakPolarHBondContact CA-O 3.29Å; R896-E948 HydrophobicContact CB-CB 4.43Å; R896-E948 HydrophobicContact CG-CB 4.15Å; R896-E948 IonicContact CZ-OE2 2.66Å; R896-E948 IonicContact NE-OE2 3.66Å; R896-E948 PolarHBondContact NE-OE2 3.26Å; R896-E948 IonicContact NH2-OE2 3.65Å; R896-E948 PolarHBondContact NH2-OE2 3.4Å; L897-E948 PolarHBondContact N-O 2.86Å
949	L	97.4	Very high	97.2	Very high	5 Å²	5	35 Å²	35	3%	0.026	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	129.2	177.1	-52.7	-177.2	0	0	0	110	L897 F899 I973 K977 V979 W980	L897-L949 HydrophobicContact CB-CD2 3.99Å; L897-L949 HydrophobicContact CD2-CD2 3.97Å; L897-L949 HydrophobicContact CG-CD2 4.45Å; F899-L949 HydrophobicContact CE2-CD2 4.27Å; L949-I973 HydrophobicContact CD1-CD1 3.51Å; L949-K977 HydrophobicContact CD1-CB 4.33Å; L949-K977 HydrophobicContact CD1-CD 4.41Å; L949-K977 HydrophobicContact CG-CD 4.31Å; L949-V979 HydrophobicContact CB-CG2 4.43Å; L949-W980 PolarHBondContact O-N 3.14Å
950	A	97.6	Very high	97.2	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	140.1	175.6	0	0	0	0	0	112	L897 L898 F899 W980 F1015	L897-A950 PolarHBondContact O-N 3.38Å; L898-A950 HydrophobicContact CD2-CB 3.95Å; F899-A950 PolarHBondContact N-O 3.1Å; A950-W980 HydrophobicContact CB-CB 4.09Å; A950-F1015 HydrophobicContact CB-CE2 4.35Å
951	W	98.4	Very high	97.3	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	124.2	165.1	-179.8	-105.9	0	0	0	109.7	F899 T901 I926 Y961 Y962 V965 W980 A982	F899-W951 HydrophobicContact CB-CE3 3.63Å; F899-W951 HydrophobicContact CB-CZ3 3.88Å; T901-W951 HydrophobicContact CG2-CH2 3.92Å; T901-W951 HydrophobicContact CG2-CZ2 3.97Å; I926-W951 HydrophobicContact CD1-CE3 4.42Å; I926-W951 HydrophobicContact CD1-CH2 4.42Å; I926-W951 HydrophobicContact CD1-CZ3 3.63Å; I926-W951 HydrophobicContact CG1-CZ3 4.06Å; W951-Y961 HydrophobicContact CZ2-CD2 4.18Å; W951-Y961 AromaticContact CZ2-CG 3.97Å; W951-Y961 HydrophobicContact CZ2-CG 3.97Å; W951-Y962 HydrophobicContact CB-CD2 4.16Å; W951-Y962 AromaticContact CD1-CD2 3.72Å; W951-Y962 HydrophobicContact CG-CD2 4.19Å; W951-V965 HydrophobicContact CD2-CB 4.47Å; W951-V965 HydrophobicContact CD2-CG1 4.07Å; W951-V965 HydrophobicContact CE3-CG1 3.69Å; W951-V965 HydrophobicContact CH2-CG2 4.35Å; W951-V965 HydrophobicContact CZ2-CG2 4.4Å; W951-V965 HydrophobicContact CZ3-CG1 3.94Å; W951-W980 PolarHBondContact N-O 3.04Å; W951-A982 PolarHBondContact O-N 2.61Å
952	C	98.6	Very high	97.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	120.4	178	-75.5	0	0	0	0	110.5	F899 C900 L908 A982 F1005	F899-C952 PolarHBondContact O-N 3.36Å; C900-C952 WeakPolarHBondContact CA-O 3.29Å; C900-C952 HydrophobicContact CB-CB 4.26Å; C900-C952 WeakPolarHBondContact CB-O 3.41Å; L908-C952 HydrophobicContact CD1-CB 3.76Å; L908-C952 HydrophobicContact CD2-CB 4.32Å; C952-A982 WeakPolarHBondContact CA-O 3.35Å; C952-F1005 HydrophobicContact CB-CE2 3.91Å; C952-F1005 HydrophobicContact CB-CZ 4.11Å
953	Q	98.3	Very high	97.4	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	158.5	175.9	80.4	177.5	35.3	0	0	111.4	E955 H956 Q959 Y961 Y981 A982 G983	Q953-E955 WeakPolarHBondContact CB-OE2 3.3Å; Q953-E955 WeakPolarHBondContact CG-O 3.5Å; Q953-E955 PolarHBondContact NE2-O 3.33Å; Q953-H956 PolarHBondContact NE2-O 3.06Å; Q953-Q959 PolarHBondContact NE2-O 2.82Å; Q953-Y961 HydrophobicContact CB-CD2 4.49Å; Q953-Y981 HydrophobicContact CG-CE2 3.95Å; Q953-A982 PolarHBondContact N-O 3.44Å; Q953-A982 VanDerWaalsContact N-O 3.16Å; Q953-G983 WeakPolarHBondContact O-CA 3.5Å
954	E	97.8	Very high	97.5	Very high	4 Å²	4	25.4 Å²	25.4	2%	0.019	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	-17.7	177.7	59.7	-178.8	-154.2	0	0	113.5	G778 M779 K903 V904 R984	G778-E954 WeakPolarHBondContact CA-OE1 3.32Å; M779-E954 HydrophobicContact CB-CB 4.06Å; M779-E954 HydrophobicContact CB-CG 3.84Å; M779-E954 HydrophobicContact CG-CB 4.12Å; M779-E954 HydrophobicContact CG-CG 3.75Å; M779-E954 PolarHBondContact N-OE1 2.88Å; K903-E954 WeakPolarHBondContact CD-OE1 3.47Å; K903-E954 VanDerWaalsContact CG-OE1 3.25Å; K903-E954 WeakPolarHBondContact CG-OE1 3.2Å; K903-E954 IonicContact NZ-OE1 3.78Å; K903-E954 IonicContact NZ-OE2 2.71Å; K903-E954 PolarHBondContact NZ-OE2 2.89Å; V904-E954 HydrophobicContact CB-CB 4.35Å; V904-E954 HydrophobicContact CB-CG 4.32Å; V904-E954 HydrophobicContact CG2-CB 3.93Å; V904-E954 HydrophobicContact CG2-CG 4.44Å; E954-R984 VanDerWaalsContact O-CD 3.25Å; E954-R984 WeakPolarHBondContact O-CD 3.49Å; E954-R984 WeakPolarHBondContact O-CG 3.34Å; E954-R984 PolarHBondContact O-NH1 2.86Å
955	E	98.6	Very high	97.5	Very high	6 Å²	6	25.4 Å²	25.4	3%	0.028	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	153.6	176.8	-52.4	68.3	-145.1	0	0	111.2	H777 M779 Q953 Q959 Y961 Y981	H777-E955 IonicContact CE1-OE1 3.37Å; H777-E955 IonicContact NE2-OE1 3.43Å; M779-E955 HydrophobicContact CE-CB 4.24Å; M779-E955 HydrophobicContact CE-CG 3.92Å; Q953-E955 WeakPolarHBondContact CB-OE2 3.3Å; Q953-E955 WeakPolarHBondContact CG-O 3.5Å; Q953-E955 PolarHBondContact NE2-O 3.33Å; E955-Q959 HydrophobicContact CB-CB 4.22Å; E955-Y961 WeakPolarHBondContact OE2-CD2 3.37Å; E955-Y981 PolarHBondContact O-OH 2.84Å
956	H	98.4	Very high	97.6	Very high	9 Å²	9	26 Å²	26	4%	0.042	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.4	146	171.8	-56.7	105.3	0	0	0	111.5	Q953 N958 Q959 R984 D985 A987 P990	Q953-H956 PolarHBondContact NE2-O 3.06Å; H956-N958 PolarHBondContact O-N 3.22Å; H956-Q959 HydrophobicContact CB-CB 4.43Å; H956-Q959 HydrophobicContact CB-CG 4.16Å; H956-Q959 PolarHBondContact ND1-OE1 3.11Å; H956-Q959 CarbonylContact O-C 3.56Å; H956-Q959 WeakPolarHBondContact O-CA 3.5Å; H956-Q959 WeakPolarHBondContact O-CB 3.35Å; H956-Q959 PolarHBondContact O-N 2.7Å; H956-R984 HydrophobicContact CB-CB 4.5Å; H956-D985 VanDerWaalsContact CB-O 3.28Å; H956-D985 WeakPolarHBondContact CB-O 3.42Å; H956-D985 PolarHBondContact CD2-O 2.92Å; H956-A987 HydrophobicContact CB-CB 4.11Å; H956-A987 VanDerWaalsContact CD2-CB 3.42Å; H956-A987 WeakPolarHBondContact CD2-CB 3.45Å; H956-P990 PolarHBondContact CE1-O 3.21Å; H956-P990 PolarHBondContact ND1-O 2.85Å
957	K	97.9	Very high	97.8	Very high	81 Å²	81	22.6 Å²	22.6	35%	0.352	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-26	-171.5	-172.1	173.3	-177.2	175.8	0	116.3	Y962 Y981 R984 P986	K957-Y962 HydrophobicContact CG-CD1 4.07Å; K957-Y962 HydrophobicContact CG-CE1 4.32Å; K957-Y981 VanDerWaalsContact CA-OH 3.28Å; K957-Y981 WeakPolarHBondContact CA-OH 3.44Å; K957-Y981 HydrophobicContact CB-CE1 3.78Å; K957-Y981 HydrophobicContact CB-CE2 4.33Å; K957-Y981 HydrophobicContact CD-CD1 3.84Å; K957-Y981 HydrophobicContact CD-CE1 3.82Å; K957-Y981 HydrophobicContact CD-CG 4.36Å; K957-Y981 HydrophobicContact CG-CD1 4.11Å; K957-Y981 HydrophobicContact CG-CD2 4.4Å; K957-Y981 HydrophobicContact CG-CE1 3.78Å; K957-Y981 HydrophobicContact CG-CE2 4.09Å; K957-Y981 HydrophobicContact CG-CG 4.4Å; K957-Y981 PolarHBondContact N-OH 2.95Å; K957-R984 WeakPolarHBondContact CB-O 3.44Å; K957-R984 PolarHBondContact N-O 3.09Å; K957-P986 HydrophobicContact CB-CG 4.14Å
958	N	97.9	Very high	97.8	Very high	73 Å²	73	23.2 Å²	23.2	39%	0.39	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	19.4	176.7	67.3	-65.1	0	0	0	113.4	H956 P986 A987	H956-N958 PolarHBondContact O-N 3.22Å; N958-P986 HydrophobicContact CB-CB 4.47Å; N958-P986 WeakPolarHBondContact OD1-CA 3.47Å; N958-A987 PolarHBondContact ND2-O 3.45Å; N958-A987 PolarHBondContact OD1-N 3.48Å; N958-A987 PolarHBondContact OD1-O 3.45Å
959	Q	98.4	Very high	97.9	Very high	7 Å²	7	21.4 Å²	21.4	3%	0.033	11%	0.105	C	C	.	.	S	Bend	trans	-144.2	177.5	-177.1	-54.7	172.9	10.1	0	0	107.5	Q953 E955 H956 Y961 A987 A989 P990	Q953-Q959 PolarHBondContact NE2-O 2.82Å; E955-Q959 HydrophobicContact CB-CB 4.22Å; H956-Q959 HydrophobicContact CB-CB 4.43Å; H956-Q959 HydrophobicContact CB-CG 4.16Å; H956-Q959 PolarHBondContact ND1-OE1 3.11Å; H956-Q959 CarbonylContact O-C 3.56Å; H956-Q959 WeakPolarHBondContact O-CA 3.5Å; H956-Q959 WeakPolarHBondContact O-CB 3.35Å; H956-Q959 PolarHBondContact O-N 2.7Å; Q959-Y961 PolarHBondContact O-N 2.91Å; Q959-A987 PolarHBondContact NE2-O 2.98Å; Q959-A989 PolarHBondContact NE2-O 3.46Å; Q959-P990 PolarHBondContact OE1-O 2.87Å
960	G	97.7	Very high	97.9	Very high	2 Å²	2	25.6 Å²	25.6	2%	0.021	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.5	-119.7	176.4	0	0	0	0	0	111.5	E792	E792-G960 WeakPolarHBondContact CA-O 3.48Å; E792-G960 PolarHBondContact N-O 3.5Å; E792-G960 VanDerWaalsContact N-O 3.14Å; E792-G960 PolarHBondContact OE2-N 2.94Å
961	Y	98.3	Very high	97.8	Very high	3 Å²	3	26.1 Å²	26.1	1%	0.012	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.5	-23.5	-159.5	-57.6	-68	0	0	0	113.9	H777 P791 L795 N827 F853 T901 L929 W951 Q953 E955 Q959 D963 Y964 V965	H777-Y961 PolarHBondContact CD2-OH 3.44Å; H777-Y961 PolarHBondContact NE2-OH 3.03Å; P791-Y961 HydrophobicContact CB-CD1 4.07Å; P791-Y961 HydrophobicContact CB-CE1 3.35Å; P791-Y961 HydrophobicContact CG-CD1 4.38Å; P791-Y961 HydrophobicContact CG-CE1 3.77Å; P791-Y961 HydrophobicContact CG-CE2 4.23Å; L795-Y961 HydrophobicContact CD1-CD1 3.57Å; L795-Y961 HydrophobicContact CD1-CE1 4.09Å; N827-Y961 PolarHBondContact ND2-OH 2.92Å; F853-Y961 HydrophobicContact CD2-CE1 4.43Å; F853-Y961 HydrophobicContact CE2-CE1 4.38Å; T901-Y961 HydrophobicContact CG2-CD1 4.2Å; T901-Y961 HydrophobicContact CG2-CD2 3.49Å; T901-Y961 VanDerWaalsContact CG2-CD2 3.49Å; T901-Y961 HydrophobicContact CG2-CE1 4.14Å; T901-Y961 HydrophobicContact CG2-CE2 3.42Å; T901-Y961 VanDerWaalsContact CG2-CE2 3.42Å; T901-Y961 HydrophobicContact CG2-CG 3.88Å; L929-Y961 HydrophobicContact CD1-CD1 3.16Å; L929-Y961 HydrophobicContact CD1-CE1 3.28Å; L929-Y961 HydrophobicContact CD1-CG 4.14Å; W951-Y961 HydrophobicContact CZ2-CD2 4.18Å; W951-Y961 AromaticContact CZ2-CG 3.97Å; W951-Y961 HydrophobicContact CZ2-CG 3.97Å; Q953-Y961 HydrophobicContact CB-CD2 4.49Å; E955-Y961 WeakPolarHBondContact OE2-CD2 3.37Å; Q959-Y961 PolarHBondContact O-N 2.91Å; Y961-D963 PolarHBondContact O-N 3.38Å; Y961-Y964 PolarHBondContact O-N 2.92Å; Y961-V965 WeakPolarHBondContact O-CB 3.27Å; Y961-V965 WeakPolarHBondContact O-CG2 3.5Å; Y961-V965 PolarHBondContact O-N 2.96Å
962	Y	97.7	Very high	97.8	Very high	13 Å²	13	26.3 Å²	26.3	5%	0.051	13%	0.125	C	C	.	.	H	α-helix	trans	-55.1	-51.4	-166.4	178.9	-120.1	0	0	0	114.3	W951 K957 Y964 V965 K966 Y981	W951-Y962 HydrophobicContact CB-CD2 4.16Å; W951-Y962 AromaticContact CD1-CD2 3.72Å; W951-Y962 HydrophobicContact CG-CD2 4.19Å; K957-Y962 HydrophobicContact CG-CD1 4.07Å; K957-Y962 HydrophobicContact CG-CE1 4.32Å; Y962-Y964 VanDerWaalsContact C-N 3.26Å; Y962-Y964 PolarHBondContact O-N 2.82Å; Y962-V965 PolarHBondContact O-N 2.98Å; Y962-K966 HydrophobicContact CD2-CB 4.1Å; Y962-K966 HydrophobicContact CE1-CD 4Å; Y962-K966 HydrophobicContact CE2-CB 3.97Å; Y962-K966 HydrophobicContact CE2-CD 3.87Å; Y962-K966 HydrophobicContact CE2-CG 4.02Å; Y962-K966 WeakPolarHBondContact O-CB 3.34Å; Y962-K966 PolarHBondContact O-N 3.34Å; Y962-K966 VanDerWaalsContact OH-CE 3.22Å; Y962-K966 WeakPolarHBondContact OH-CE 3.44Å; Y962-K966 PolarHBondContact OH-NZ 3.24Å; Y962-Y981 AromaticContact CD1-CD2 3.96Å; Y962-Y981 HydrophobicContact CD1-CD2 3.96Å; Y962-Y981 HydrophobicContact CD1-CE2 4.34Å; Y962-Y981 AromaticContact CD2-CD2 3.45Å; Y962-Y981 HydrophobicContact CD2-CD2 3.45Å; Y962-Y981 VanDerWaalsContact CD2-CD2 3.45Å; Y962-Y981 HydrophobicContact CD2-CE2 4.2Å; Y962-Y981 HydrophobicContact CD2-CG 4.32Å; Y962-Y981 HydrophobicContact CE1-CD2 4.2Å; Y962-Y981 HydrophobicContact CE1-CG 4.45Å; Y962-Y981 AromaticContact CE2-CD2 3.71Å; Y962-Y981 HydrophobicContact CE2-CD2 3.71Å; Y962-Y981 HydrophobicContact CE2-CG 4.14Å; Y962-Y981 AromaticContact CG-CD2 3.54Å; Y962-Y981 HydrophobicContact CG-CD2 3.54Å; Y962-Y981 AromaticContact CG-CE2 3.91Å; Y962-Y981 HydrophobicContact CG-CE2 3.91Å
963	D	97	Very high	97.6	Very high	104 Å²	104	27.4 Å²	27.4	56%	0.556	13%	0.131	S	C	*	.	H	α-helix	trans	-71.1	-20.9	-174.4	-69.4	-33.9	0	0	0	113	Y961 P967	Y961-D963 PolarHBondContact O-N 3.38Å; D963-P967 VanDerWaalsContact O-CD 3.22Å; D963-P967 WeakPolarHBondContact O-CD 3.42Å
964	Y	98.2	Very high	97.5	Very high	18 Å²	18	34.1 Å²	34.1	7%	0.071	17%	0.167	C	C	.	.	H	α-helix	trans	-80.7	-49	170.5	177.4	-90	0	0	0	112.1	L795 C798 D800 L929 F932 Y961 Y962 P967 R968	L795-Y964 HydrophobicContact CB-CD1 4.4Å; L795-Y964 HydrophobicContact CB-CD2 3.63Å; L795-Y964 HydrophobicContact CB-CE2 4.23Å; L795-Y964 HydrophobicContact CB-CG 3.73Å; L795-Y964 HydrophobicContact CD1-CD1 4.27Å; L795-Y964 HydrophobicContact CD1-CG 4.25Å; L795-Y964 HydrophobicContact CD2-CD1 3.95Å; L795-Y964 HydrophobicContact CD2-CD2 4.2Å; L795-Y964 HydrophobicContact CD2-CE1 3.89Å; L795-Y964 HydrophobicContact CD2-CE2 4.12Å; L795-Y964 HydrophobicContact CD2-CG 4.13Å; L795-Y964 HydrophobicContact CG-CD1 4.44Å; L795-Y964 HydrophobicContact CG-CD2 4.43Å; L795-Y964 HydrophobicContact CG-CG 4.25Å; L795-Y964 WeakPolarHBondContact O-CD2 3.36Å; L795-Y964 WeakPolarHBondContact O-CE2 3.43Å; C798-Y964 HydrophobicContact CB-CE2 3.93Å; D800-Y964 PolarHBondContact OD1-OH 2.98Å; D800-Y964 PolarHBondContact OD2-OH 2.98Å; L929-Y964 VanDerWaalsContact O-CE1 3.3Å; L929-Y964 WeakPolarHBondContact O-CE1 3.19Å; L929-Y964 PolarHBondContact O-OH 3.1Å; F932-Y964 HydrophobicContact CD2-CE1 4.08Å; Y961-Y964 PolarHBondContact O-N 2.92Å; Y962-Y964 VanDerWaalsContact C-N 3.26Å; Y962-Y964 PolarHBondContact O-N 2.82Å; Y964-P967 WeakPolarHBondContact O-CD 3.31Å; Y964-R968 VanDerWaalsContact CD2-CZ 3.44Å; Y964-R968 VanDerWaalsContact CZ-CZ 3.44Å; Y964-R968 WeakPolarHBondContact O-CD 3.23Å; Y964-R968 PolarHBondContact O-NH1 3.5Å; Y964-R968 PolarHBondContact OH-NE 3.49Å
965	V	97.9	Very high	97.3	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-75	-38.2	-172.4	172.8	0	0	0	0	112.1	I926 F932 W951 Y961 Y962 R968 L969	I926-V965 HydrophobicContact CD1-CG1 4.28Å; F932-V965 HydrophobicContact CE2-CB 4.49Å; F932-V965 HydrophobicContact CE2-CG1 4.1Å; F932-V965 HydrophobicContact CE2-CG2 4.36Å; F932-V965 HydrophobicContact CZ-CG1 4.4Å; W951-V965 HydrophobicContact CD2-CB 4.47Å; W951-V965 HydrophobicContact CD2-CG1 4.07Å; W951-V965 HydrophobicContact CE3-CG1 3.69Å; W951-V965 HydrophobicContact CH2-CG2 4.35Å; W951-V965 HydrophobicContact CZ2-CG2 4.4Å; W951-V965 HydrophobicContact CZ3-CG1 3.94Å; Y961-V965 WeakPolarHBondContact O-CB 3.27Å; Y961-V965 WeakPolarHBondContact O-CG2 3.5Å; Y961-V965 PolarHBondContact O-N 2.96Å; Y962-V965 PolarHBondContact O-N 2.98Å; V965-R968 PolarHBondContact O-N 3.35Å; V965-L969 HydrophobicContact CG1-CD1 3.63Å; V965-L969 HydrophobicContact CG1-CG 3.82Å; V965-L969 WeakPolarHBondContact O-CB 3.36Å; V965-L969 PolarHBondContact O-N 3.19Å
966	K	96.9	Very high	97.1	Very high	69 Å²	69	42.8 Å²	42.8	30%	0.3	22%	0.217	S	C	.	.	H	α-helix	trans	-57	-53.4	-175.6	178.6	-160.8	-170.4	165.7	0	114.3	Y962 R970	Y962-K966 HydrophobicContact CD2-CB 4.1Å; Y962-K966 HydrophobicContact CE1-CD 4Å; Y962-K966 HydrophobicContact CE2-CB 3.97Å; Y962-K966 HydrophobicContact CE2-CD 3.87Å; Y962-K966 HydrophobicContact CE2-CG 4.02Å; Y962-K966 WeakPolarHBondContact O-CB 3.34Å; Y962-K966 PolarHBondContact O-N 3.34Å; Y962-K966 VanDerWaalsContact OH-CE 3.22Å; Y962-K966 WeakPolarHBondContact OH-CE 3.44Å; Y962-K966 PolarHBondContact OH-NZ 3.24Å; K966-R970 WeakPolarHBondContact O-CG 3.5Å; K966-R970 PolarHBondContact O-N 3.11Å; K966-R970 VanDerWaalsContact O-N 3.07Å
967	P	97.3	Very high	96.7	Very high	35 Å²	35	45.4 Å²	45.4	23%	0.227	23%	0.228	C	C	.	.	H	α-helix	trans	-66.3	-41.3	-178.2	28.5	-36	0	0	0	110.8	P802 D963 Y964 L969 R970 T971	P802-P967 HydrophobicContact CB-CB 3.97Å; P802-P967 HydrophobicContact CB-CG 3.82Å; D963-P967 VanDerWaalsContact O-CD 3.22Å; D963-P967 WeakPolarHBondContact O-CD 3.42Å; Y964-P967 WeakPolarHBondContact O-CD 3.31Å; P967-L969 PolarHBondContact O-N 3.35Å; P967-R970 CarbonylContact O-C 3.59Å; P967-R970 WeakPolarHBondContact O-CA 3.49Å; P967-R970 WeakPolarHBondContact O-CB 3.43Å; P967-R970 PolarHBondContact O-N 2.71Å; P967-T971 PolarHBondContact O-N 3.11Å; P967-T971 PolarHBondContact O-OG1 2.85Å
968	R	97.8	Very high	96.5	Very high	15 Å²	15	44.4 Å²	44.4	6%	0.057	23%	0.23	C	C	.	.	H	α-helix	trans	-59.8	-45.8	176.6	-67.3	171.3	173.8	72.5	4.5	112.8	D800 P802 F932 F934 Y964 V965 R970 T971 T972	D800-R968 PolarHBondContact O-NH2 3.44Å; D800-R968 IonicContact OD1-CZ 3.45Å; D800-R968 IonicContact OD1-NE 2.73Å; D800-R968 IonicContact OD1-NH2 3.69Å; D800-R968 PolarHBondContact OD1-NH2 2.85Å; D800-R968 IonicContact OD2-CZ 3.7Å; D800-R968 IonicContact OD2-NE 3.78Å; D800-R968 PolarHBondContact OD2-NE 3.35Å; D800-R968 IonicContact OD2-NH2 2.67Å; D800-R968 PolarHBondContact OD2-NH2 3.18Å; P802-R968 HydrophobicContact CB-CG 3.99Å; F932-R968 HydrophobicContact CD1-CB 3.68Å; F932-R968 HydrophobicContact CD1-CG 4.41Å; F932-R968 HydrophobicContact CD2-CB 4.18Å; F932-R968 HydrophobicContact CE1-CB 3.57Å; F932-R968 HydrophobicContact CE2-CB 4.09Å; F932-R968 HydrophobicContact CG-CB 3.97Å; F932-R968 HydrophobicContact CG-CG 4.36Å; F932-R968 HydrophobicContact CZ-CB 3.78Å; F934-R968 HydrophobicContact CE1-CB 4.26Å; F934-R968 HydrophobicContact CZ-CB 4.34Å; F934-R968 HydrophobicContact CZ-CG 4.29Å; Y964-R968 VanDerWaalsContact CD2-CZ 3.44Å; Y964-R968 VanDerWaalsContact CZ-CZ 3.44Å; Y964-R968 WeakPolarHBondContact O-CD 3.23Å; Y964-R968 PolarHBondContact O-NH1 3.5Å; Y964-R968 PolarHBondContact OH-NE 3.49Å; V965-R968 PolarHBondContact O-N 3.35Å; R968-R970 VanDerWaalsContact C-N 3.33Å; R968-R970 PolarHBondContact O-N 2.84Å; R968-T971 PolarHBondContact O-N 2.9Å; R968-T972 WeakPolarHBondContact O-CB 3.47Å; R968-T972 PolarHBondContact O-N 2.87Å; R968-T972 PolarHBondContact O-OG1 3.29Å
969	L	97.3	Very high	96.4	Very high	4 Å²	4	41.3 Å²	41.3	2%	0.021	21%	0.214	C	C	.	.	H	α-helix	trans	-59.5	-41.2	171.8	-82	-179.1	0	0	0	112	F899 F932 L937 V965 P967 T972 I973 V979	F899-L969 HydrophobicContact CD2-CD1 3.98Å; F899-L969 HydrophobicContact CE2-CD1 4.43Å; F899-L969 HydrophobicContact CE2-CD2 4.39Å; F899-L969 HydrophobicContact CG-CD1 4.36Å; F899-L969 HydrophobicContact CZ-CD2 4.49Å; F932-L969 HydrophobicContact CZ-CD2 3.98Å; F932-L969 HydrophobicContact CZ-CG 3.99Å; L937-L969 HydrophobicContact CB-CD2 4.27Å; L937-L969 HydrophobicContact CD1-CD2 3.97Å; V965-L969 HydrophobicContact CG1-CD1 3.63Å; V965-L969 HydrophobicContact CG1-CG 3.82Å; V965-L969 WeakPolarHBondContact O-CB 3.36Å; V965-L969 PolarHBondContact O-N 3.19Å; P967-L969 PolarHBondContact O-N 3.35Å; L969-T972 WeakPolarHBondContact O-CB 3.31Å; L969-T972 PolarHBondContact O-N 3.41Å; L969-I973 WeakPolarHBondContact O-CG1 3.39Å; L969-I973 PolarHBondContact O-N 3.43Å; L969-V979 HydrophobicContact CB-CG1 4.49Å; L969-V979 HydrophobicContact CB-CG2 4.17Å; L969-V979 HydrophobicContact CD1-CG1 3.93Å
970	R	97.1	Very high	96.4	Very high	93 Å²	93	43.1 Å²	43.1	35%	0.351	22%	0.22	S	C	.	.	H	α-helix	trans	-66.5	-38.9	177.5	-72.4	-172.5	75.5	-159.9	3.3	112.3	K966 P967 R968 R975 V979	K966-R970 WeakPolarHBondContact O-CG 3.5Å; K966-R970 PolarHBondContact O-N 3.11Å; K966-R970 VanDerWaalsContact O-N 3.07Å; P967-R970 CarbonylContact O-C 3.59Å; P967-R970 WeakPolarHBondContact O-CA 3.49Å; P967-R970 WeakPolarHBondContact O-CB 3.43Å; P967-R970 PolarHBondContact O-N 2.71Å; R968-R970 VanDerWaalsContact C-N 3.33Å; R968-R970 PolarHBondContact O-N 2.84Å; R970-R975 HydrophobicContact CB-CG 4.41Å; R970-R975 WeakPolarHBondContact O-CA 3.24Å; R970-R975 WeakPolarHBondContact O-CG 3.29Å; R970-R975 PolarHBondContact O-N 2.7Å; R970-V979 HydrophobicContact CG-CB 4.27Å; R970-V979 HydrophobicContact CG-CG2 3.86Å
971	T	97.1	Very high	96.3	Very high	12 Å²	12	44.3 Å²	44.3	7%	0.074	22%	0.224	C	C	.	.	H	α-helix	trans	-67.2	-40.1	174	-61.1	0	0	0	0	111.2	P802 L805 P967 R968 I973 D974 R975	P802-T971 WeakPolarHBondContact O-CB 3.39Å; P802-T971 PolarHBondContact O-OG1 3Å; L805-T971 HydrophobicContact CB-CG2 4.18Å; P967-T971 PolarHBondContact O-N 3.11Å; P967-T971 PolarHBondContact O-OG1 2.85Å; R968-T971 PolarHBondContact O-N 2.9Å; T971-I973 VanDerWaalsContact C-N 3.26Å; T971-I973 PolarHBondContact O-N 2.81Å; T971-D974 PolarHBondContact O-N 2.92Å; T971-R975 PolarHBondContact OG1-NH2 2.97Å
972	T	96.8	Very high	96.3	Very high	4 Å²	4	44.2 Å²	44.2	3%	0.025	22%	0.224	C	C	.	.	H	α-helix	trans	-53	-41.4	175.3	-53.3	0	0	0	0	112.4	F934 L937 L938 R968 L969	F934-T972 VanDerWaalsContact CD1-OG1 3.23Å; F934-T972 WeakPolarHBondContact CD1-OG1 3.49Å; F934-T972 WeakPolarHBondContact O-CG2 3.34Å; L937-T972 HydrophobicContact CB-CG2 4.2Å; L938-T972 HydrophobicContact CB-CG2 3.76Å; L938-T972 WeakPolarHBondContact CD1-O 3.42Å; R968-T972 WeakPolarHBondContact O-CB 3.47Å; R968-T972 PolarHBondContact O-N 2.87Å; R968-T972 PolarHBondContact O-OG1 3.29Å; L969-T972 WeakPolarHBondContact O-CB 3.31Å; L969-T972 PolarHBondContact O-N 3.41Å
973	I	95.6	Very high	96.2	Very high	23 Å²	23	44.1 Å²	44.1	12%	0.118	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	19	-174.6	69.7	-178.1	0	0	0	114.2	A941 L949 L969 T971 R975 A976 K977 V979	A941-I973 HydrophobicContact CB-CG2 3.83Å; L949-I973 HydrophobicContact CD1-CD1 3.51Å; L969-I973 WeakPolarHBondContact O-CG1 3.39Å; L969-I973 PolarHBondContact O-N 3.43Å; T971-I973 VanDerWaalsContact C-N 3.26Å; T971-I973 PolarHBondContact O-N 2.81Å; I973-R975 PolarHBondContact O-N 3.37Å; I973-R975 VanDerWaalsContact O-N 3.09Å; I973-A976 VanDerWaalsContact O-CB 3.26Å; I973-A976 WeakPolarHBondContact O-CB 3.34Å; I973-A976 PolarHBondContact O-N 3.33Å; I973-A976 VanDerWaalsContact O-N 3.08Å; I973-K977 HydrophobicContact CD1-CB 4.2Å; I973-V979 HydrophobicContact CD1-CG2 4.15Å
974	D	95.6	Very high	96.3	Very high	141 Å²	141	39.4 Å²	39.4	75%	0.754	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	46	38.9	-171.8	-168	28.5	0	0	0	113.5	T971 A976	T971-D974 PolarHBondContact O-N 2.92Å; D974-A976 PolarHBondContact O-N 2.91Å
975	R	94.6	Very high	96.2	Very high	108 Å²	108	42.8 Å²	42.8	41%	0.408	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	12.6	179.1	-49.5	-178.3	-173.7	-122.5	-28.9	114.6	D803 R970 T971 I973 K977	D803-R975 IonicContact OD1-CZ 2.73Å; D803-R975 IonicContact OD1-NH1 2.67Å; D803-R975 PolarHBondContact OD1-NH1 3.19Å; D803-R975 IonicContact OD1-NH2 3.18Å; D803-R975 PolarHBondContact OD1-NH2 2.84Å; R970-R975 HydrophobicContact CB-CG 4.41Å; R970-R975 WeakPolarHBondContact O-CA 3.24Å; R970-R975 WeakPolarHBondContact O-CG 3.29Å; R970-R975 PolarHBondContact O-N 2.7Å; T971-R975 PolarHBondContact OG1-NH2 2.97Å; I973-R975 PolarHBondContact O-N 3.37Å; I973-R975 VanDerWaalsContact O-N 3.09Å; R975-K977 PolarHBondContact O-N 3.25Å
976	A	93.1	Very high	96.2	Very high	84 Å²	84	47 Å²	47	69%	0.694	25%	0.249	S	C	*	.			trans	-62.9	-17.8	-170.8	0	0	0	0	0	114.9	I973 D974	I973-A976 VanDerWaalsContact O-CB 3.26Å; I973-A976 WeakPolarHBondContact O-CB 3.34Å; I973-A976 PolarHBondContact O-N 3.33Å; I973-A976 VanDerWaalsContact O-N 3.08Å; D974-A976 PolarHBondContact O-N 2.91Å
977	K	91.3	Very high	96.2	Very high	64 Å²	64	45.1 Å²	45.1	28%	0.278	25%	0.246	S	C	.	.	S	Bend	trans	-136.1	154.4	172	-69.3	-177.7	178.9	177.6	0	111	P945 A947 L949 I973 R975	P945-K977 PolarHBondContact O-NZ 2.85Å; A947-K977 PolarHBondContact O-NZ 2.75Å; L949-K977 HydrophobicContact CD1-CB 4.33Å; L949-K977 HydrophobicContact CD1-CD 4.41Å; L949-K977 HydrophobicContact CG-CD 4.31Å; I973-K977 HydrophobicContact CD1-CB 4.2Å; R975-K977 PolarHBondContact O-N 3.25Å
978	P	93.9	Very high	96.2	Very high	60 Å²	60	48.3 Å²	48.3	39%	0.39	28%	0.275	S	S	.	.			trans	-64.2	148.4	163.2	29.1	-34.5	0	0	0	110.7	W980	P978-W980 HydrophobicContact CB-CD2 4.32Å; P978-W980 HydrophobicContact CB-CH2 4.11Å; P978-W980 HydrophobicContact CB-CZ2 3.65Å; P978-W980 HydrophobicContact CG-CH2 4.41Å; P978-W980 HydrophobicContact CG-CZ2 3.53Å
979	V	95.7	Very high	96.2	Very high	8 Å²	8	49.9 Å²	49.9	5%	0.048	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	107.6	168.7	179.6	0	0	0	0	107.3	L949 L969 R970 I973	L949-V979 HydrophobicContact CB-CG2 4.43Å; L969-V979 HydrophobicContact CB-CG1 4.49Å; L969-V979 HydrophobicContact CB-CG2 4.17Å; L969-V979 HydrophobicContact CD1-CG1 3.93Å; R970-V979 HydrophobicContact CG-CB 4.27Å; R970-V979 HydrophobicContact CG-CG2 3.86Å; I973-V979 HydrophobicContact CD1-CG2 4.15Å
980	W	96.8	Very high	96.2	Very high	45 Å²	45	50.3 Å²	50.3	17%	0.17	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	172.8	-175.2	-61.7	118.6	0	0	0	112.6	L949 A950 W951 P978 F1015 F1018	L949-W980 PolarHBondContact O-N 3.14Å; A950-W980 HydrophobicContact CB-CB 4.09Å; W951-W980 PolarHBondContact N-O 3.04Å; P978-W980 HydrophobicContact CB-CD2 4.32Å; P978-W980 HydrophobicContact CB-CH2 4.11Å; P978-W980 HydrophobicContact CB-CZ2 3.65Å; P978-W980 HydrophobicContact CG-CH2 4.41Å; P978-W980 HydrophobicContact CG-CZ2 3.53Å; W980-F1015 HydrophobicContact CB-CD1 3.96Å; W980-F1015 HydrophobicContact CB-CD2 3.77Å; W980-F1015 HydrophobicContact CB-CE1 3.82Å; W980-F1015 HydrophobicContact CB-CE2 3.61Å; W980-F1015 HydrophobicContact CB-CG 3.95Å; W980-F1015 HydrophobicContact CB-CZ 3.65Å; W980-F1015 AromaticContact CD1-CD2 3.47Å; W980-F1015 VanDerWaalsContact CD1-CD2 3.47Å; W980-F1015 AromaticContact CD1-CG 3.67Å; W980-F1015 HydrophobicContact CD2-CB 3.79Å; W980-F1015 AromaticContact CD2-CD1 3.85Å; W980-F1015 HydrophobicContact CD2-CD1 3.85Å; W980-F1015 HydrophobicContact CD2-CD2 4.23Å; W980-F1015 AromaticContact CD2-CG 3.68Å; W980-F1015 HydrophobicContact CD2-CG 3.68Å; W980-F1015 HydrophobicContact CE3-CB 4.4Å; W980-F1015 HydrophobicContact CE3-CD1 4.01Å; W980-F1015 HydrophobicContact CE3-CG 4.28Å; W980-F1015 HydrophobicContact CG-CB 4.01Å; W980-F1015 AromaticContact CG-CD1 3.83Å; W980-F1015 HydrophobicContact CG-CD1 3.83Å; W980-F1015 AromaticContact CG-CD2 3.54Å; W980-F1015 HydrophobicContact CG-CD2 3.54Å; W980-F1015 HydrophobicContact CG-CE1 4.21Å; W980-F1015 AromaticContact CG-CE2 3.95Å; W980-F1015 HydrophobicContact CG-CE2 3.95Å; W980-F1015 AromaticContact CG-CG 3.49Å; W980-F1015 HydrophobicContact CG-CG 3.49Å; W980-F1015 VanDerWaalsContact CG-CG 3.49Å; W980-F1015 HydrophobicContact CG-CZ 4.28Å; W980-F1015 HydrophobicContact CZ2-CB 4.12Å; W980-F1015 AromaticContact NE1-CG 3.94Å; W980-F1018 HydrophobicContact CH2-CB 3.53Å; W980-F1018 HydrophobicContact CZ2-CB 4.48Å; W980-F1018 HydrophobicContact CZ3-CB 3.73Å
981	Y	97.3	Very high	96.3	Very high	27 Å²	27	46.1 Å²	46.1	11%	0.106	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	129	177.9	178.3	-100.7	0	0	0	110.3	Q953 E955 K957 Y962 G983 R984	Q953-Y981 HydrophobicContact CG-CE2 3.95Å; E955-Y981 PolarHBondContact O-OH 2.84Å; K957-Y981 VanDerWaalsContact CA-OH 3.28Å; K957-Y981 WeakPolarHBondContact CA-OH 3.44Å; K957-Y981 HydrophobicContact CB-CE1 3.78Å; K957-Y981 HydrophobicContact CB-CE2 4.33Å; K957-Y981 HydrophobicContact CD-CD1 3.84Å; K957-Y981 HydrophobicContact CD-CE1 3.82Å; K957-Y981 HydrophobicContact CD-CG 4.36Å; K957-Y981 HydrophobicContact CG-CD1 4.11Å; K957-Y981 HydrophobicContact CG-CD2 4.4Å; K957-Y981 HydrophobicContact CG-CE1 3.78Å; K957-Y981 HydrophobicContact CG-CE2 4.09Å; K957-Y981 HydrophobicContact CG-CG 4.4Å; K957-Y981 PolarHBondContact N-OH 2.95Å; Y962-Y981 AromaticContact CD1-CD2 3.96Å; Y962-Y981 HydrophobicContact CD1-CD2 3.96Å; Y962-Y981 HydrophobicContact CD1-CE2 4.34Å; Y962-Y981 AromaticContact CD2-CD2 3.45Å; Y962-Y981 HydrophobicContact CD2-CD2 3.45Å; Y962-Y981 VanDerWaalsContact CD2-CD2 3.45Å; Y962-Y981 HydrophobicContact CD2-CE2 4.2Å; Y962-Y981 HydrophobicContact CD2-CG 4.32Å; Y962-Y981 HydrophobicContact CE1-CD2 4.2Å; Y962-Y981 HydrophobicContact CE1-CG 4.45Å; Y962-Y981 AromaticContact CE2-CD2 3.71Å; Y962-Y981 HydrophobicContact CE2-CD2 3.71Å; Y962-Y981 HydrophobicContact CE2-CG 4.14Å; Y962-Y981 AromaticContact CG-CD2 3.54Å; Y962-Y981 HydrophobicContact CG-CD2 3.54Å; Y962-Y981 AromaticContact CG-CE2 3.91Å; Y962-Y981 HydrophobicContact CG-CE2 3.91Å; Y981-G983 WeakPolarHBondContact OH-CA 3.38Å; Y981-R984 PolarHBondContact OH-N 2.78Å; Y981-R984 PolarHBondContact OH-O 3.24Å
982	A	97.1	Very high	96.3	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.008	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	128.3	160.2	0	0	0	0	0	108.4	W951 C952 Q953 F1005 T1008 A1009	W951-A982 PolarHBondContact O-N 2.61Å; C952-A982 WeakPolarHBondContact CA-O 3.35Å; Q953-A982 PolarHBondContact N-O 3.44Å; Q953-A982 VanDerWaalsContact N-O 3.16Å; A982-F1005 VanDerWaalsContact C-CD2 3.41Å; A982-F1005 HydrophobicContact CB-CD2 3.91Å; A982-F1005 HydrophobicContact CB-CE2 4.01Å; A982-F1005 WeakPolarHBondContact O-CE2 3.48Å; A982-T1008 HydrophobicContact CB-CG2 4.21Å; A982-A1009 HydrophobicContact CB-CB 3.93Å
983	G	96.9	Very high	96.3	Very high	12 Å²	12	50.1 Å²	50.1	12%	0.124	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.4	-166.5	-178.9	0	0	0	0	0	110.9	Q953 Y981 F1005	Q953-G983 WeakPolarHBondContact O-CA 3.5Å; Y981-G983 WeakPolarHBondContact OH-CA 3.38Å; G983-F1005 VanDerWaalsContact CA-CD2 3.44Å; G983-F1005 VanDerWaalsContact N-CD2 3.3Å
984	R	98.1	Very high	96.4	Very high	5 Å²	5	53 Å²	53	2%	0.019	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	146.6	179.2	-68.6	-171.8	162.2	71.6	9.4	111.6	E954 H956 K957 Y981 H998 E1001	E954-R984 VanDerWaalsContact O-CD 3.25Å; E954-R984 WeakPolarHBondContact O-CD 3.49Å; E954-R984 WeakPolarHBondContact O-CG 3.34Å; E954-R984 PolarHBondContact O-NH1 2.86Å; H956-R984 HydrophobicContact CB-CB 4.5Å; K957-R984 WeakPolarHBondContact CB-O 3.44Å; K957-R984 PolarHBondContact N-O 3.09Å; Y981-R984 PolarHBondContact OH-N 2.78Å; Y981-R984 PolarHBondContact OH-O 3.24Å; R984-H998 PolarHBondContact NH2-CE1 3.26Å; R984-H998 PolarHBondContact NH2-ND1 3.39Å; R984-H998 VanDerWaalsContact NH2-ND1 3.15Å; R984-H998 PolarHBondContact NH2-O 3.35Å; R984-E1001 WeakPolarHBondContact CD-OE2 3.42Å; R984-E1001 HydrophobicContact CG-CB 4.09Å; R984-E1001 IonicContact CZ-OE2 2.64Å; R984-E1001 IonicContact NE-OE2 3.77Å; R984-E1001 PolarHBondContact NE-OE2 2.88Å; R984-E1001 IonicContact NH2-OE2 2.71Å
985	D	96.5	Very high	96.4	Very high	89 Å²	89	53 Å²	53	48%	0.476	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-56.3	161	172.6	-67.8	-64	0	0	0	111.9	H956 R1004	H956-D985 VanDerWaalsContact CB-O 3.28Å; H956-D985 WeakPolarHBondContact CB-O 3.42Å; H956-D985 PolarHBondContact CD2-O 2.92Å; D985-R1004 IonicContact OD2-CZ 3.39Å; D985-R1004 IonicContact OD2-NH1 2.68Å; D985-R1004 PolarHBondContact OD2-NH1 2.96Å
986	P	97.6	Very high	96.5	Very high	89 Å²	89	55.8 Å²	55.8	58%	0.578	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-61.1	139.6	178.3	-20.2	30.5	0	0	0	113.4	K957 N958	K957-P986 HydrophobicContact CB-CG 4.14Å; N958-P986 HydrophobicContact CB-CB 4.47Å; N958-P986 WeakPolarHBondContact OD1-CA 3.47Å
987	A	97.1	Very high	96.8	Very high	28 Å²	28	54.6 Å²	54.6	23%	0.231	33%	0.326	C	S	.	.			trans	-145.7	153.9	177.3	0	0	0	0	0	113.5	H956 N958 Q959	H956-A987 HydrophobicContact CB-CB 4.11Å; H956-A987 VanDerWaalsContact CD2-CB 3.42Å; H956-A987 WeakPolarHBondContact CD2-CB 3.45Å; N958-A987 PolarHBondContact ND2-O 3.45Å; N958-A987 PolarHBondContact OD1-N 3.48Å; N958-A987 PolarHBondContact OD1-O 3.45Å; Q959-A987 PolarHBondContact NE2-O 2.98Å
988	A	96.9	Very high	97.1	Very high	102 Å²	102	52.2 Å²	52.2	84%	0.843	32%	0.315	S	S	*	.	S	Bend	trans	-82	-38.6	175.9	0	0	0	0	0	113
989	A	97.7	Very high	97.3	Very high	48 Å²	48	53.7 Å²	53.7	40%	0.397	32%	0.32	S	S	.	.	S	Bend	trans	-83.1	149.5	173.7	0	0	0	0	0	110.7	P784 Q959 A991	P784-A989 HydrophobicContact CB-CB 4.23Å; Q959-A989 PolarHBondContact NE2-O 3.46Å; A989-A991 PolarHBondContact O-N 3.46Å
990	P	97.7	Very high	97.4	Very high	13 Å²	13	56.7 Å²	56.7	8%	0.084	34%	0.338	C	S	.	.	S	Bend	trans	-64.2	-36.3	178.8	-24.9	34.5	0	0	0	114.8	M779 P784 H956 Q959	M779-P990 WeakPolarHBondContact CE-O 3.41Å; P784-P990 VanDerWaalsContact O-CB 3.31Å; P784-P990 WeakPolarHBondContact O-CB 3.23Å; P784-P990 VanDerWaalsContact O-CG 3.29Å; P784-P990 WeakPolarHBondContact O-CG 3.47Å; H956-P990 PolarHBondContact CE1-O 3.21Å; H956-P990 PolarHBondContact ND1-O 2.85Å; Q959-P990 PolarHBondContact OE1-O 2.87Å
991	A	98.2	Very high	97.4	Very high	5 Å²	5	56.2 Å²	56.2	4%	0.041	34%	0.338	C	S	.	.	S	Bend	trans	-148.2	155	178.5	0	0	0	0	0	111	M779 P784 S787 A989	M779-A991 HydrophobicContact SD-CB 3.91Å; P784-A991 WeakPolarHBondContact CB-O 3.33Å; S787-A991 VanDerWaalsContact OG-CB 3.31Å; S787-A991 WeakPolarHBondContact OG-CB 3.35Å; A989-A991 PolarHBondContact O-N 3.46Å
992	T	97.1	Very high	97.4	Very high	33 Å²	33	56 Å²	56	20%	0.202	34%	0.338	C	S	.	.			trans	-73.3	136.6	170.7	-176.1	0	0	0	0	111.3	N994 T997 H998 E1001	T992-N994 PolarHBondContact O-N 3.11Å; T992-N994 PolarHBondContact OG1-N 3.15Å; T992-T997 HydrophobicContact CG2-CG2 4.28Å; T992-H998 HydrophobicContact CG2-CB 3.68Å; T992-E1001 VanDerWaalsContact CG2-OE1 3.3Å; T992-E1001 WeakPolarHBondContact CG2-OE1 3.31Å
993	G	96.9	Very high	97.4	Very high	67 Å²	67	59.9 Å²	59.9	69%	0.691	36%	0.356	S	S	*	.	S	Bend	trans	-74.1	-2.6	172	0	0	0	0	0	114.2
994	N	97.6	Very high	97.5	Very high	83 Å²	83	65.6 Å²	65.6	44%	0.444	37%	0.374	S	S	.	.			trans	-106.1	113.4	-179.7	-171.6	-60	0	0	0	111.7	T992 K996 T997 H998	T992-N994 PolarHBondContact O-N 3.11Å; T992-N994 PolarHBondContact OG1-N 3.15Å; N994-K996 VanDerWaalsContact C-N 3.29Å; N994-K996 PolarHBondContact O-N 3.33Å; N994-K996 WeakPolarHBondContact OD1-CA 3.29Å; N994-K996 WeakPolarHBondContact OD1-CB 3.33Å; N994-K996 PolarHBondContact OD1-N 2.71Å; N994-T997 WeakPolarHBondContact O-CB 3.46Å; N994-T997 PolarHBondContact O-N 3.11Å; N994-T997 VanDerWaalsContact O-N 3.07Å; N994-T997 PolarHBondContact OD1-N 3.29Å; N994-H998 PolarHBondContact O-N 3.22Å
995	K	96.4	Very high	97.3	Very high	143 Å²	143	65.4 Å²	65.4	62%	0.622	37%	0.373	S	S	*	.	H	α-helix	trans	-58.8	-32.4	-178.5	-171.5	167.1	-175.7	167.6	0	114.3	L999	K995-L999 HydrophobicContact CG-CD1 4.43Å; K995-L999 WeakPolarHBondContact O-CG 3.36Å; K995-L999 PolarHBondContact O-N 3.26Å; K995-L999 VanDerWaalsContact O-N 3.15Å
996	K	97.6	Very high	97.4	Very high	165 Å²	165	61.3 Å²	61.3	72%	0.717	35%	0.351	S	S	*	.	H	α-helix	trans	-70.5	-42.2	175.5	-175.5	179.5	177.4	-179	0	110.9	N994 L999 T1000	N994-K996 VanDerWaalsContact C-N 3.29Å; N994-K996 PolarHBondContact O-N 3.33Å; N994-K996 WeakPolarHBondContact OD1-CA 3.29Å; N994-K996 WeakPolarHBondContact OD1-CB 3.33Å; N994-K996 PolarHBondContact OD1-N 2.71Å; K996-L999 PolarHBondContact O-N 3.35Å; K996-T1000 WeakPolarHBondContact O-CB 3.17Å; K996-T1000 PolarHBondContact O-N 2.95Å; K996-T1000 PolarHBondContact O-OG1 2.93Å
997	T	97.6	Very high	97.4	Very high	60 Å²	60	60.3 Å²	60.3	37%	0.368	34%	0.341	S	S	.	.	H	α-helix	trans	-62	-46.6	174.6	-47.8	0	0	0	0	110.5	T992 N994 L999 T1000 E1001	T992-T997 HydrophobicContact CG2-CG2 4.28Å; N994-T997 WeakPolarHBondContact O-CB 3.46Å; N994-T997 PolarHBondContact O-N 3.11Å; N994-T997 VanDerWaalsContact O-N 3.07Å; N994-T997 PolarHBondContact OD1-N 3.29Å; T997-L999 VanDerWaalsContact C-N 3.32Å; T997-L999 PolarHBondContact O-N 2.8Å; T997-T1000 WeakPolarHBondContact O-CA 3.46Å; T997-T1000 WeakPolarHBondContact O-CB 3.24Å; T997-T1000 PolarHBondContact O-N 3.35Å; T997-E1001 HydrophobicContact CG2-CG 4.43Å; T997-E1001 WeakPolarHBondContact CG2-OE1 3.33Å; T997-E1001 VanDerWaalsContact O-CG 3.31Å; T997-E1001 WeakPolarHBondContact O-CG 3.4Å; T997-E1001 PolarHBondContact O-N 2.85Å
998	H	97.9	Very high	97.4	Very high	13 Å²	13	61.2 Å²	61.2	6%	0.06	34%	0.344	C	S	.	.	H	α-helix	trans	-53.5	-44.9	176.6	168.3	75.5	0	0	0	113.1	M779 G781 R984 T992 N994 E1001 L1002	M779-H998 PolarHBondContact O-CE1 3.04Å; M779-H998 VanDerWaalsContact O-CE1 3.23Å; G781-H998 PolarHBondContact N-CE1 3.44Å; G781-H998 PolarHBondContact N-NE2 3.22Å; R984-H998 PolarHBondContact NH2-CE1 3.26Å; R984-H998 PolarHBondContact NH2-ND1 3.39Å; R984-H998 VanDerWaalsContact NH2-ND1 3.15Å; R984-H998 PolarHBondContact NH2-O 3.35Å; T992-H998 HydrophobicContact CG2-CB 3.68Å; N994-H998 PolarHBondContact O-N 3.22Å; H998-E1001 WeakPolarHBondContact CA-OE2 3.31Å; H998-L1002 WeakPolarHBondContact O-CB 3.46Å; H998-L1002 PolarHBondContact O-N 3.44Å
999	L	98	Very high	97.4	Very high	92 Å²	92	56.4 Å²	56.4	48%	0.482	30%	0.304	S	S	.	.	H	α-helix	trans	-70.4	-33.4	176.2	-68.6	170.8	0	0	0	112.7	K995 K996 T997 L1002 Q1003	K995-L999 HydrophobicContact CG-CD1 4.43Å; K995-L999 WeakPolarHBondContact O-CG 3.36Å; K995-L999 PolarHBondContact O-N 3.26Å; K995-L999 VanDerWaalsContact O-N 3.15Å; K996-L999 PolarHBondContact O-N 3.35Å; T997-L999 VanDerWaalsContact C-N 3.32Å; T997-L999 PolarHBondContact O-N 2.8Å; L999-L1002 HydrophobicContact CD2-CD2 4.49Å; L999-L1002 PolarHBondContact O-N 3.05Å; L999-Q1003 PolarHBondContact O-N 2.94Å
1000	T	98.1	Very high	97.4	Very high	71 Å²	71	54.3 Å²	54.3	44%	0.436	29%	0.286	S	S	.	.	H	α-helix	trans	-68.5	-39.2	176.2	-52.5	0	0	0	0	111.4	K996 T997 R1004	K996-T1000 WeakPolarHBondContact O-CB 3.17Å; K996-T1000 PolarHBondContact O-N 2.95Å; K996-T1000 PolarHBondContact O-OG1 2.93Å; T997-T1000 WeakPolarHBondContact O-CA 3.46Å; T997-T1000 WeakPolarHBondContact O-CB 3.24Å; T997-T1000 PolarHBondContact O-N 3.35Å; T1000-R1004 WeakPolarHBondContact O-CB 3.48Å; T1000-R1004 PolarHBondContact O-N 3.14Å
1001	E	97.6	Very high	97.3	Very high	34 Å²	34	57.1 Å²	57.1	16%	0.159	30%	0.3	C	S	.	.	H	α-helix	trans	-64.3	-45.2	172.4	-67.4	158.5	-172.6	0	0	111.6	R984 T992 T997 H998 R1004 F1005	R984-E1001 WeakPolarHBondContact CD-OE2 3.42Å; R984-E1001 HydrophobicContact CG-CB 4.09Å; R984-E1001 IonicContact CZ-OE2 2.64Å; R984-E1001 IonicContact NE-OE2 3.77Å; R984-E1001 PolarHBondContact NE-OE2 2.88Å; R984-E1001 IonicContact NH2-OE2 2.71Å; T992-E1001 VanDerWaalsContact CG2-OE1 3.3Å; T992-E1001 WeakPolarHBondContact CG2-OE1 3.31Å; T997-E1001 HydrophobicContact CG2-CG 4.43Å; T997-E1001 WeakPolarHBondContact CG2-OE1 3.33Å; T997-E1001 VanDerWaalsContact O-CG 3.31Å; T997-E1001 WeakPolarHBondContact O-CG 3.4Å; T997-E1001 PolarHBondContact O-N 2.85Å; H998-E1001 WeakPolarHBondContact CA-OE2 3.31Å; E1001-R1004 PolarHBondContact O-N 3.19Å; E1001-F1005 PolarHBondContact O-N 3.25Å
1002	L	97.2	Very high	97.2	Very high	22 Å²	22	58.5 Å²	58.5	12%	0.115	31%	0.307	C	S	.	.	H	α-helix	trans	-58.9	-48	176.8	178.4	60.5	0	0	0	110.9	H998 L999 F1005 L1006	H998-L1002 WeakPolarHBondContact O-CB 3.46Å; H998-L1002 PolarHBondContact O-N 3.44Å; L999-L1002 HydrophobicContact CD2-CD2 4.49Å; L999-L1002 PolarHBondContact O-N 3.05Å; L1002-F1005 HydrophobicContact CD1-CD1 4.09Å; L1002-F1005 HydrophobicContact CD1-CE1 4.45Å; L1002-F1005 PolarHBondContact O-N 3.34Å; L1002-L1006 HydrophobicContact CD1-CD1 4.08Å; L1002-L1006 HydrophobicContact CD1-CG 4.28Å; L1002-L1006 HydrophobicContact CG-CD1 4.06Å; L1002-L1006 WeakPolarHBondContact O-CG 3.47Å; L1002-L1006 PolarHBondContact O-N 3.25Å
1003	Q	97.9	Very high	97	Very high	83 Å²	83	61.6 Å²	61.6	39%	0.388	32%	0.322	S	S	.	.	H	α-helix	trans	-62.7	-45.6	178.1	-168.4	63	53.5	0	0	111.6	L999 F1005 L1006 D1007	L999-Q1003 PolarHBondContact O-N 2.94Å; Q1003-F1005 VanDerWaalsContact C-N 3.3Å; Q1003-F1005 PolarHBondContact O-N 3.23Å; Q1003-L1006 PolarHBondContact O-N 2.93Å; Q1003-L1006 VanDerWaalsContact O-N 3.16Å; Q1003-D1007 PolarHBondContact NE2-OD1 3.07Å; Q1003-D1007 WeakPolarHBondContact O-CB 3.49Å; Q1003-D1007 PolarHBondContact O-N 3.19Å
1004	R	97.1	Very high	96.8	Very high	132 Å²	132	59.6 Å²	59.6	50%	0.498	30%	0.299	S	S	.	.	H	α-helix	trans	-57.2	-42.6	177.2	-178.2	-172.2	-60.8	169.4	2.7	112.5	D985 T1000 E1001 T1008	D985-R1004 IonicContact OD2-CZ 3.39Å; D985-R1004 IonicContact OD2-NH1 2.68Å; D985-R1004 PolarHBondContact OD2-NH1 2.96Å; T1000-R1004 WeakPolarHBondContact O-CB 3.48Å; T1000-R1004 PolarHBondContact O-N 3.14Å; E1001-R1004 PolarHBondContact O-N 3.19Å; R1004-T1008 PolarHBondContact O-N 3.49Å; R1004-T1008 VanDerWaalsContact O-N 3.07Å; R1004-T1008 PolarHBondContact O-OG1 3.04Å
1005	F	94.9	Very high	96.5	Very high	1 Å²	1	56.2 Å²	56.2	0%	0.004	28%	0.28	C	S	.	.	H	α-helix	trans	-61.4	-51.8	174.7	151.4	-129.5	0	0	0	111.1	V904 L908 C952 A982 G983 E1001 L1002 Q1003 D1007 T1008 A1009	V904-F1005 HydrophobicContact CG2-CE1 3.46Å; V904-F1005 VanDerWaalsContact CG2-CE1 3.46Å; V904-F1005 HydrophobicContact CG2-CZ 3.65Å; L908-F1005 HydrophobicContact CD2-CE2 4.37Å; L908-F1005 HydrophobicContact CD2-CZ 3.88Å; L908-F1005 HydrophobicContact CG-CZ 4.39Å; C952-F1005 HydrophobicContact CB-CE2 3.91Å; C952-F1005 HydrophobicContact CB-CZ 4.11Å; A982-F1005 VanDerWaalsContact C-CD2 3.41Å; A982-F1005 HydrophobicContact CB-CD2 3.91Å; A982-F1005 HydrophobicContact CB-CE2 4.01Å; A982-F1005 WeakPolarHBondContact O-CE2 3.48Å; G983-F1005 VanDerWaalsContact CA-CD2 3.44Å; G983-F1005 VanDerWaalsContact N-CD2 3.3Å; E1001-F1005 PolarHBondContact O-N 3.25Å; L1002-F1005 HydrophobicContact CD1-CD1 4.09Å; L1002-F1005 HydrophobicContact CD1-CE1 4.45Å; L1002-F1005 PolarHBondContact O-N 3.34Å; Q1003-F1005 VanDerWaalsContact C-N 3.3Å; Q1003-F1005 PolarHBondContact O-N 3.23Å; F1005-D1007 VanDerWaalsContact C-N 3.33Å; F1005-D1007 PolarHBondContact O-N 2.99Å; F1005-T1008 WeakPolarHBondContact O-CB 3.34Å; F1005-T1008 PolarHBondContact O-N 3.43Å; F1005-T1008 VanDerWaalsContact O-N 3.14Å; F1005-A1009 HydrophobicContact CE2-CB 4.27Å; F1005-A1009 PolarHBondContact O-N 3.13Å
1006	L	98.1	Very high	95.9	Very high	3 Å²	3	55.1 Å²	55.1	2%	0.016	28%	0.276	C	S	.	.	H	α-helix	trans	-61.2	-40.4	179.6	-71.8	176.1	0	0	0	112.1	L908 E911 L1002 Q1003 T1008 A1009 F1010	L908-L1006 HydrophobicContact CD2-CD2 3.97Å; E911-L1006 HydrophobicContact CB-CD1 4.42Å; E911-L1006 HydrophobicContact CB-CD2 4.08Å; E911-L1006 HydrophobicContact CG-CB 4.09Å; E911-L1006 HydrophobicContact CG-CD1 4.37Å; E911-L1006 HydrophobicContact CG-CD2 4.27Å; E911-L1006 HydrophobicContact CG-CG 4.47Å; L1002-L1006 HydrophobicContact CD1-CD1 4.08Å; L1002-L1006 HydrophobicContact CD1-CG 4.28Å; L1002-L1006 HydrophobicContact CG-CD1 4.06Å; L1002-L1006 WeakPolarHBondContact O-CG 3.47Å; L1002-L1006 PolarHBondContact O-N 3.25Å; Q1003-L1006 PolarHBondContact O-N 2.93Å; Q1003-L1006 VanDerWaalsContact O-N 3.16Å; L1006-T1008 VanDerWaalsContact C-N 3.34Å; L1006-T1008 PolarHBondContact O-N 2.75Å; L1006-A1009 PolarHBondContact O-N 3.3Å; L1006-F1010 WeakPolarHBondContact O-CD2 3.44Å; L1006-F1010 PolarHBondContact O-N 3.43Å; L1006-F1010 VanDerWaalsContact O-N 3.16Å
1007	D	97.6	Very high	94.8	Very high	68 Å²	68	56.2 Å²	56.2	36%	0.364	28%	0.28	S	S	.	.	H	α-helix	trans	-58.2	-46.1	173.5	-66.3	-23.5	0	0	0	111.2	R915 Q1003 F1005 F1010 D1011	R915-D1007 IonicContact CZ-OD1 3.94Å; R915-D1007 IonicContact NH1-OD1 2.69Å; R915-D1007 IonicContact NH2-OD1 3.51Å; R915-D1007 PolarHBondContact NH2-OD1 3.11Å; Q1003-D1007 PolarHBondContact NE2-OD1 3.07Å; Q1003-D1007 WeakPolarHBondContact O-CB 3.49Å; Q1003-D1007 PolarHBondContact O-N 3.19Å; F1005-D1007 VanDerWaalsContact C-N 3.33Å; F1005-D1007 PolarHBondContact O-N 2.99Å; D1007-F1010 PolarHBondContact O-N 3.5Å; D1007-D1011 WeakPolarHBondContact O-CB 3.41Å; D1007-D1011 PolarHBondContact O-N 3.13Å
1008	T	96.6	Very high	93.6	Very high	48 Å²	48	60.6 Å²	60.6	29%	0.294	29%	0.294	S	S	.	.	H	α-helix	trans	-67	-37.7	178.1	-53.1	0	0	0	0	112.2	R896 A982 R1004 F1005 L1006 F1010 F1015	R896-T1008 PolarHBondContact NH1-O 2.77Å; A982-T1008 HydrophobicContact CB-CG2 4.21Å; R1004-T1008 PolarHBondContact O-N 3.49Å; R1004-T1008 VanDerWaalsContact O-N 3.07Å; R1004-T1008 PolarHBondContact O-OG1 3.04Å; F1005-T1008 WeakPolarHBondContact O-CB 3.34Å; F1005-T1008 PolarHBondContact O-N 3.43Å; F1005-T1008 VanDerWaalsContact O-N 3.14Å; L1006-T1008 VanDerWaalsContact C-N 3.34Å; L1006-T1008 PolarHBondContact O-N 2.75Å; T1008-F1010 VanDerWaalsContact C-N 3.34Å; T1008-F1010 PolarHBondContact O-N 3.11Å; T1008-F1015 HydrophobicContact CG2-CE1 4.32Å; T1008-F1015 HydrophobicContact CG2-CZ 4.21Å
1009	A	97.5	Very high	91.6	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-65	-36.6	-179.8	0	0	0	0	0	112.5	R896 L898 L908 A982 F1005 L1006	R896-A1009 PolarHBondContact NH1-O 2.98Å; L898-A1009 HydrophobicContact CD1-CB 4.37Å; L908-A1009 HydrophobicContact CD2-CB 4.14Å; A982-A1009 HydrophobicContact CB-CB 3.93Å; F1005-A1009 HydrophobicContact CE2-CB 4.27Å; F1005-A1009 PolarHBondContact O-N 3.13Å; L1006-A1009 PolarHBondContact O-N 3.3Å
1010	F	97.8	Very high	91.3	Very high	5 Å²	5	64.9 Å²	64.9	2%	0.022	33%	0.328	C	S	.	.	H	α-helix	trans	-105.1	-6.4	-176.2	-68.8	-74.9	0	0	0	115.2	L898 L908 E911 R912 M917 V921 I923 L1006 D1007 T1008 L1012	L898-F1010 HydrophobicContact CD1-CE1 3.97Å; L898-F1010 HydrophobicContact CD1-CE2 4.43Å; L898-F1010 HydrophobicContact CD1-CZ 3.83Å; L908-F1010 HydrophobicContact CB-CZ 4.47Å; L908-F1010 HydrophobicContact CD2-CE2 3.9Å; L908-F1010 HydrophobicContact CD2-CZ 4.26Å; L908-F1010 VanDerWaalsContact O-CZ 3.29Å; L908-F1010 WeakPolarHBondContact O-CZ 3.38Å; E911-F1010 HydrophobicContact CB-CD2 4.14Å; E911-F1010 HydrophobicContact CB-CE2 3.75Å; E911-F1010 HydrophobicContact CG-CD2 3.65Å; E911-F1010 HydrophobicContact CG-CE2 3.81Å; R912-F1010 HydrophobicContact CB-CE1 3.58Å; R912-F1010 HydrophobicContact CB-CZ 3.71Å; R912-F1010 HydrophobicContact CG-CE1 3.95Å; M917-F1010 WeakPolarHBondContact CE-O 3.29Å; M917-F1010 HydrophobicContact SD-CB 3.99Å; M917-F1010 HydrophobicContact SD-CD1 3.96Å; M917-F1010 HydrophobicContact SD-CG 4.39Å; V921-F1010 HydrophobicContact CB-CE1 4.24Å; V921-F1010 HydrophobicContact CG1-CD1 4.3Å; V921-F1010 HydrophobicContact CG1-CE1 3.84Å; V921-F1010 HydrophobicContact CG2-CD1 4.27Å; V921-F1010 HydrophobicContact CG2-CE1 4.49Å; I923-F1010 HydrophobicContact CD1-CZ 4.47Å; L1006-F1010 WeakPolarHBondContact O-CD2 3.44Å; L1006-F1010 PolarHBondContact O-N 3.43Å; L1006-F1010 VanDerWaalsContact O-N 3.16Å; D1007-F1010 PolarHBondContact O-N 3.5Å; T1008-F1010 VanDerWaalsContact C-N 3.34Å; T1008-F1010 PolarHBondContact O-N 3.11Å; F1010-L1012 PolarHBondContact O-N 3.31Å
1011	D	96.5	Very high	91	Very high	72 Å²	72	64.6 Å²	64.6	39%	0.385	32%	0.322	S	S	.	.			trans	-74	105.5	168.1	173.3	13.4	0	0	0	110.8	R896 D1007 D1013 A1014	R896-D1011 PolarHBondContact NH1-O 3.06Å; R896-D1011 PolarHBondContact NH2-O 3.4Å; D1007-D1011 WeakPolarHBondContact O-CB 3.41Å; D1007-D1011 PolarHBondContact O-N 3.13Å; D1011-D1013 PolarHBondContact O-N 3.48Å; D1011-D1013 WeakPolarHBondContact OD1-CA 3.36Å; D1011-D1013 PolarHBondContact OD1-N 2.91Å; D1011-A1014 HydrophobicContact CB-CB 4.02Å; D1011-A1014 VanDerWaalsContact O-CB 3.28Å; D1011-A1014 WeakPolarHBondContact O-CB 3.39Å; D1011-A1014 PolarHBondContact O-N 3.13Å; D1011-A1014 PolarHBondContact OD1-N 3.1Å; D1011-A1014 WeakPolarHBondContact OD2-CA 3.28Å; D1011-A1014 PolarHBondContact OD2-N 3.36Å
1012	L	94.7	Very high	90.6	Very high	33 Å²	33	66.3 Å²	66.3	17%	0.173	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-7.3	179.1	-63.1	178.1	0	0	0	114.4	K895 R896 M917 E920 V921 F1010 K1016	K895-L1012 HydrophobicContact CB-CD1 4.43Å; K895-L1012 HydrophobicContact CB-CD2 4.22Å; K895-L1012 HydrophobicContact CD-CD1 3.67Å; R896-L1012 HydrophobicContact CB-CD2 4.13Å; M917-L1012 HydrophobicContact CE-CD1 3.73Å; M917-L1012 HydrophobicContact CE-CD2 4.14Å; M917-L1012 HydrophobicContact CE-CG 3.74Å; E920-L1012 WeakPolarHBondContact OE2-CD1 3.28Å; V921-L1012 HydrophobicContact CG2-CD2 4.38Å; F1010-L1012 PolarHBondContact O-N 3.31Å; L1012-K1016 WeakPolarHBondContact O-CE 3.41Å; L1012-K1016 PolarHBondContact O-NZ 2.67Å
1013	D	94.4	Very high	90.2	Very high	99 Å²	99	68.9 Å²	68.9	53%	0.529	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-12.6	173.9	-69.8	-26.5	0	0	0	113	D1011 F1015 K1016	D1011-D1013 PolarHBondContact O-N 3.48Å; D1011-D1013 WeakPolarHBondContact OD1-CA 3.36Å; D1011-D1013 PolarHBondContact OD1-N 2.91Å; D1013-F1015 PolarHBondContact O-N 3.36Å; D1013-K1016 HydrophobicContact CB-CD 4.44Å; D1013-K1016 PolarHBondContact O-N 3.05Å; D1013-K1016 VanDerWaalsContact O-N 3.09Å; D1013-K1016 WeakPolarHBondContact OD1-CD 3.49Å; D1013-K1016 WeakPolarHBondContact OD1-CE 3.43Å; D1013-K1016 IonicContact OD1-NZ 3.1Å; D1013-K1016 PolarHBondContact OD1-NZ 3.13Å
1014	A	92	Very high	89.7	Confident	24 Å²	24	68 Å²	68	20%	0.198	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.3	-38.3	-172.2	0	0	0	0	0	114.8	D1011	D1011-A1014 HydrophobicContact CB-CB 4.02Å; D1011-A1014 VanDerWaalsContact O-CB 3.28Å; D1011-A1014 WeakPolarHBondContact O-CB 3.39Å; D1011-A1014 PolarHBondContact O-N 3.13Å; D1011-A1014 PolarHBondContact OD1-N 3.1Å; D1011-A1014 WeakPolarHBondContact OD2-CA 3.28Å; D1011-A1014 PolarHBondContact OD2-N 3.36Å
1015	F	90.5	Very high	89.2	Confident	13 Å²	13	63.7 Å²	63.7	6%	0.057	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-9.2	-173.9	-53.8	-52.3	0	0	0	114.5	A950 W980 T1008 D1013 K1017 F1018 S1019	A950-F1015 HydrophobicContact CB-CE2 4.35Å; W980-F1015 HydrophobicContact CB-CD1 3.96Å; W980-F1015 HydrophobicContact CB-CD2 3.77Å; W980-F1015 HydrophobicContact CB-CE1 3.82Å; W980-F1015 HydrophobicContact CB-CE2 3.61Å; W980-F1015 HydrophobicContact CB-CG 3.95Å; W980-F1015 HydrophobicContact CB-CZ 3.65Å; W980-F1015 AromaticContact CD1-CD2 3.47Å; W980-F1015 VanDerWaalsContact CD1-CD2 3.47Å; W980-F1015 AromaticContact CD1-CG 3.67Å; W980-F1015 HydrophobicContact CD2-CB 3.79Å; W980-F1015 AromaticContact CD2-CD1 3.85Å; W980-F1015 HydrophobicContact CD2-CD1 3.85Å; W980-F1015 HydrophobicContact CD2-CD2 4.23Å; W980-F1015 AromaticContact CD2-CG 3.68Å; W980-F1015 HydrophobicContact CD2-CG 3.68Å; W980-F1015 HydrophobicContact CE3-CB 4.4Å; W980-F1015 HydrophobicContact CE3-CD1 4.01Å; W980-F1015 HydrophobicContact CE3-CG 4.28Å; W980-F1015 HydrophobicContact CG-CB 4.01Å; W980-F1015 AromaticContact CG-CD1 3.83Å; W980-F1015 HydrophobicContact CG-CD1 3.83Å; W980-F1015 AromaticContact CG-CD2 3.54Å; W980-F1015 HydrophobicContact CG-CD2 3.54Å; W980-F1015 HydrophobicContact CG-CE1 4.21Å; W980-F1015 AromaticContact CG-CE2 3.95Å; W980-F1015 HydrophobicContact CG-CE2 3.95Å; W980-F1015 AromaticContact CG-CG 3.49Å; W980-F1015 HydrophobicContact CG-CG 3.49Å; W980-F1015 VanDerWaalsContact CG-CG 3.49Å; W980-F1015 HydrophobicContact CG-CZ 4.28Å; W980-F1015 HydrophobicContact CZ2-CB 4.12Å; W980-F1015 AromaticContact NE1-CG 3.94Å; T1008-F1015 HydrophobicContact CG2-CE1 4.32Å; T1008-F1015 HydrophobicContact CG2-CZ 4.21Å; D1013-F1015 PolarHBondContact O-N 3.36Å; F1015-K1017 PolarHBondContact O-N 2.67Å; F1015-F1018 PolarHBondContact O-N 2.61Å; F1015-S1019 PolarHBondContact O-N 3.08Å
1016	K	85.1	Confident	88.8	Confident	120 Å²	120	68.2 Å²	68.2	52%	0.522	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-3.6	-175.9	-64.6	-177.3	-178.4	164.2	0	115.4	L1012 D1013	L1012-K1016 WeakPolarHBondContact O-CE 3.41Å; L1012-K1016 PolarHBondContact O-NZ 2.67Å; D1013-K1016 HydrophobicContact CB-CD 4.44Å; D1013-K1016 PolarHBondContact O-N 3.05Å; D1013-K1016 VanDerWaalsContact O-N 3.09Å; D1013-K1016 WeakPolarHBondContact OD1-CD 3.49Å; D1013-K1016 WeakPolarHBondContact OD1-CE 3.43Å; D1013-K1016 IonicContact OD1-NZ 3.1Å; D1013-K1016 PolarHBondContact OD1-NZ 3.13Å
1017	K	74.4	Confident	88.1	Confident	188 Å²	188	73.2 Å²	73.2	82%	0.817	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	-2.7	173.7	-64.3	174.9	-175.3	165.5	0	113	F1015	F1015-K1017 PolarHBondContact O-N 2.67Å
1018	F	71.4	Confident	87.3	Confident	151 Å²	151	73.7 Å²	73.7	66%	0.662	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.9	-10.7	-176.4	-53.6	-76.8	0	0	0	113.1	W980 F1015	W980-F1018 HydrophobicContact CH2-CB 3.53Å; W980-F1018 HydrophobicContact CZ2-CB 4.48Å; W980-F1018 HydrophobicContact CZ3-CB 3.73Å; F1015-F1018 PolarHBondContact O-N 2.61Å
1019	S	57.2	Low	86.5	Confident	131 Å²	131	76 Å²	76	92%	0.916	39%	0.389	S	S	*	.			trans	-77.8	0	175.9	58.7	0	0	0	0	112.9	F1015	F1015-S1019 PolarHBondContact O-N 3.08Å

Retrieved 1,019 of 1,019 residues in 926.6 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).