A0A061IPJ2_CRIGR Loading...

AMP deaminase

AMP deaminase plays a critical role in energy metabolism. Catalyzes the deamination of AMP to IMP and plays an important role in the purine nucleotide cycle.

AlphaFold DB , UniProt , Accession A0A061IPJ2, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Ampd2, Length 824 aa.

						>A0A061IPJ2_CRIGR|A0A061IPJ2|Ampd2
MASYSGPGKSKAKYPFKKRASLQASAAAPEARGGLGASPLQSARSLPGTAPCLKHFPLDLRTSMDGKCKEIAEELFSRSLAESELRSAPYEFPEASPIEQLEERRQRLERQISQDVKLEPDILLRAKQDFLKTDSDSDLQLYKEQGEGQGDRGLWERDVVLEREFQRVIISGEEKCGVPFTDLLDAAKSVVRALFIREKYMALSLQSFCPTTRRYLQQLAEKPLETRTYEQSPDTPVSADAPVHPPALEQHPYEHCEPSTMPGDLGLGLRMVRGVVHVYTRRDPDEHCPEVELPYPDLQEFVADVNVLMALIINGPIKSFCYRRLQYLSSKFQMHVLLNEMKELAAQKKVPHRDFYNIRKVDTHIHASSCMNQKHLLRFIKRAMKRHLEEIVHVEQGREQTLREVFESMNLTAYDLSVDTLDVHADRNTFHRFDKFNAKYNPIGESVLREIFIKTDNKISGKYFAHIIKEVMSDLEESKYQNAELRLSIYGRSRDEWDKLARWAVVHKVHSPNVRWLVQVPRLFDVYRTKGQLANFQEMLENIFLPLFEATVHPASHPELHLFLEHVDGFDSVDDESKPENHVFNLESPLPEAWVEEDNPPYAYYLYYTFANMAMLNHLRRQRGFHTFVLRPHCGEAGPIHHLVSAFMLAENISHGLLLRKAPVLQYLYYLAQIGIAMSPLSNNSLFLSYHRNPLPEYLSRGLMVSLSTDDPLQFHFTKEPLMEEYSIATQVWKLSSCDMCELARNSVLMSGFSHKVKSHWLGPNYTKEGPEGNDIRRTNVPDIRVGYRHETLCQELALITQAVQSEMLETIPEEVGLVMSPGP
					

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35	Very low	41.4	Very low	245 Å²	245	144.8 Å²	144.8	100%	1.207	85%	0.849	S	S	*	*				0	151.8	0	-63.3	-180	-173.8	0	0	108
2	A	46.7	Very low	40.5	Very low	90 Å²	90	140.6 Å²	140.6	74%	0.744	84%	0.843	S	S	*	*			cis	145.7	151.2	-16.1	0	0	0	0	0	108
3	S	46.8	Very low	39.6	Very low	106 Å²	106	145.8 Å²	145.8	74%	0.741	85%	0.848	S	S	*	*			cis	179	153.9	-12.2	53.1	0	0	0	0	107.8
4	Y	47.4	Very low	38.7	Very low	223 Å²	223	151.4 Å²	151.4	88%	0.875	85%	0.85	S	S	*	*			cis	-146.2	-95.7	0	-154.7	-113.3	0	0	0	112.9
5	S	47.2	Very low	39.3	Very low	107 Å²	107	148.3 Å²	148.3	75%	0.748	84%	0.839	S	S	*	*			trans	-158.6	-157.8	-170.6	65.1	0	0	0	0	114.3
6	G	35.7	Very low	38.5	Very low	71 Å²	71	149.4 Å²	149.4	73%	0.732	83%	0.832	S	S	*	*			trans	-149.1	-165.8	-159.7	0	0	0	0	0	121.5
7	P	65	Low	37.8	Very low	142 Å²	142	150 Å²	150	92%	0.922	82%	0.824	S	S	*	*			trans	-115.7	-172.2	-162.3	44.3	-36.6	0	0	0	116.6
8	G	34.3	Very low	37.1	Very low	69 Å²	69	151.2 Å²	151.2	71%	0.711	82%	0.819	S	S	*	*			cis	146.4	149.2	-10.4	0	0	0	0	0	117.2
9	K	32.2	Very low	36.5	Very low	219 Å²	219	155.5 Å²	155.5	95%	0.952	82%	0.823	S	S	*	*			trans	84.7	167.2	172.9	-54.4	168.2	176.6	172.3	0	116.9
10	S	32.5	Very low	35.9	Very low	119 Å²	119	153.1 Å²	153.1	83%	0.832	83%	0.826	S	S	*	*			cis	-147	-124.6	13.9	70.6	0	0	0	0	117.6
11	K	32.4	Very low	35.5	Very low	202 Å²	202	151.2 Å²	151.2	88%	0.878	83%	0.825	S	S	*	*			trans	-160.1	157.6	-170.5	-67.9	-177.9	176.7	177.3	0	116.4
12	A	31	Very low	35	Very low	94 Å²	94	148 Å²	148	78%	0.777	81%	0.811	S	S	*	*				133.4	125.7	119.6	0	0	0	0	0	124
13	K	28.3	Very low	33.9	Very low	208 Å²	208	152.5 Å²	152.5	90%	0.904	82%	0.817	S	S	*	*			trans	78.4	152.9	141	-72.3	-173.6	176.1	-176.3	0	126
14	Y	27	Very low	32.9	Very low	225 Å²	225	151.8 Å²	151.8	88%	0.882	82%	0.817	S	S	*	*			trans	-90.6	-170	-168.1	-68.5	-89.9	0	0	0	115.9
15	P	48.2	Very low	31.7	Very low	105 Å²	105	146.9 Å²	146.9	68%	0.682	82%	0.816	S	S	*	*			cis	-143.7	179.4	1.8	39.4	-17.3	0	0	0	120.7
16	F	25.9	Very low	30.6	Very low	166 Å²	166	146.6 Å²	146.6	73%	0.728	82%	0.82	S	S	*	*			trans	90.9	117.2	138.9	-96.2	-42.7	0	0	0	126.8
17	K	26.7	Very low	30	Very low	159 Å²	159	148 Å²	148	69%	0.691	82%	0.824	S	S	*	*				85.4	123.2	125.4	-110.4	165.2	-166.1	156.4	0	125.1
18	K	25.9	Very low	27.9	Very low	171 Å²	171	145.4 Å²	145.4	74%	0.743	82%	0.815	S	S	*	*				100.4	121.7	125.4	-120.6	-179.9	-175.3	-175.9	0	122.5
19	R	26.1	Very low	28	Very low	234 Å²	234	147.5 Å²	147.5	88%	0.883	82%	0.816	S	S	*	*			trans	42.4	128	145.3	-77.9	-175.5	176.1	-179.6	-2.9	121.7
20	A	23.8	Very low	27.7	Very low	107 Å²	107	146 Å²	146	88%	0.884	81%	0.812	S	S	*	*				-164.1	167.7	113.6	0	0	0	0	0	111.6
21	S	26.5	Very low	27.2	Very low	114 Å²	114	144.3 Å²	144.3	80%	0.797	81%	0.806	S	S	*	*			trans	-135.2	156.5	-177.9	54.4	0	0	0	0	111
22	L	26	Very low	26.8	Very low	176 Å²	176	146.6 Å²	146.6	92%	0.921	81%	0.809	S	S	*	*			trans	-157.9	165	156.7	-110.5	168	0	0	0	111.5
23	Q	23.7	Very low	26.4	Very low	185 Å²	185	146.2 Å²	146.2	86%	0.864	81%	0.814	S	S	*	*			trans	-137	167.2	-170.3	-63.9	178.4	-73.3	0	0	113.2
24	A	25.1	Very low	26.2	Very low	91 Å²	91	140.1 Å²	140.1	75%	0.752	81%	0.81	S	S	*	*			trans	93	157.4	138.3	0	0	0	0	0	121.6
25	S	22.9	Very low	26.5	Very low	121 Å²	121	138.6 Å²	138.6	85%	0.846	82%	0.816	S	S	*	*			trans	72.4	144.4	170.4	71.5	0	0	0	0	118
26	A	23.2	Very low	25.3	Very low	100 Å²	100	136.9 Å²	136.9	83%	0.826	82%	0.818	S	S	*	*			cis	-161.8	173.1	-19.4	0	0	0	0	0	110.5
27	A	23.1	Very low	25.2	Very low	101 Å²	101	133.9 Å²	133.9	84%	0.835	82%	0.824	S	S	*	*			trans	-87.1	176.8	174	0	0	0	0	0	111.6
28	A	21.5	Very low	25	Very low	88 Å²	88	131.5 Å²	131.5	73%	0.727	83%	0.827	S	S	*	*			cis	-159.5	-152.7	8.8	0	0	0	0	0	108.1
29	P	37.1	Very low	24.9	Very low	112 Å²	112	129 Å²	129	73%	0.727	83%	0.828	S	S	*	*			cis	-126.5	-173.1	-49.1	37.9	-21.7	0	0	0	113.7
30	E	24.2	Very low	24.9	Very low	187 Å²	187	126.4 Å²	126.4	87%	0.874	83%	0.831	S	S	*	*			trans	83.4	125.3	148.8	-92.2	-176.8	-146.8	0	0	124.8
31	A	23.1	Very low	24.9	Very low	84 Å²	84	130 Å²	130	69%	0.694	83%	0.83	S	S	*	*			trans	106.5	116.8	131.8	0	0	0	0	0	122
32	R	23.7	Very low	24.6	Very low	251 Å²	251	129.9 Å²	129.9	95%	0.947	83%	0.829	S	S	*	*			trans	68.5	103.2	150.2	-64.1	-177.3	179.2	-161.8	-0.5	120.9
33	G	22.8	Very low	24.6	Very low	86 Å²	86	126.3 Å²	126.3	89%	0.887	82%	0.824	S	S	*	*				93.5	107.8	109.2	0	0	0	0	0	118.6
34	G	23	Very low	24.7	Very low	80 Å²	80	128.9 Å²	128.9	83%	0.825	83%	0.826	S	S	*	*			trans	177.9	127	165.4	0	0	0	0	0	111.9	G36	G34-G36 PolarHBondContact O-N 3.49Å
35	L	33.1	Very low	24.6	Very low	192 Å²	192	130 Å²	130	100%	1.005	83%	0.828	S	S	*	*			trans	-78	115.9	166.8	-77.4	164.6	0	0	0	108.1
36	G	23.1	Very low	24.7	Very low	69 Å²	69	132.2 Å²	132.2	71%	0.711	83%	0.83	S	S	*	*			trans	-148.7	137.8	177.6	0	0	0	0	0	110.5	G34	G34-G36 PolarHBondContact O-N 3.49Å
37	A	25	Very low	25	Very low	104 Å²	104	132.5 Å²	132.5	86%	0.86	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-63.6	138	179.5	0	0	0	0	0	110.8
38	S	23.2	Very low	25.1	Very low	109 Å²	109	131.2 Å²	131.2	76%	0.762	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-66	132.5	176.3	50.3	0	0	0	0	110.6
39	P	22.6	Very low	25.6	Very low	117 Å²	117	131.2 Å²	131.2	76%	0.76	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-57.7	148.3	178	-24.4	34	0	0	0	112.7	Q41	P39-Q41 PolarHBondContact O-N 3.11Å; P39-Q41 VanDerWaalsContact O-N 3.11Å
40	L	25.8	Very low	25.3	Very low	180 Å²	180	129 Å²	129	94%	0.942	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-51.2	117.1	169.7	-73.2	162.5	0	0	0	109.6
41	Q	23.7	Very low	25.6	Very low	184 Å²	184	124.8 Å²	124.8	86%	0.86	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-64.3	138.5	173	-72.5	-169.6	-8.5	0	0	109.4	P39 A43	P39-Q41 PolarHBondContact O-N 3.11Å; P39-Q41 VanDerWaalsContact O-N 3.11Å; Q41-A43 PolarHBondContact O-N 3.44Å
42	S	21.6	Very low	26.2	Very low	111 Å²	111	123.3 Å²	123.3	78%	0.776	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-52.6	135.3	-176.7	54.5	0	0	0	0	111.8	R44	S42-R44 PolarHBondContact O-N 3.19Å
43	A	25.1	Very low	27.1	Very low	100 Å²	100	114.3 Å²	114.3	83%	0.826	75%	0.745	S	S	*	*			trans	-45.9	123	178.1	0	0	0	0	0	111.5	Q41 S45	Q41-A43 PolarHBondContact O-N 3.44Å; A43-S45 PolarHBondContact O-N 3.1Å
44	R	24.9	Very low	27.8	Very low	240 Å²	240	118 Å²	118	91%	0.906	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-60.8	136.2	167.9	-72	-178.7	174.8	-179.9	-1.6	107.9	S42 L46	S42-R44 PolarHBondContact O-N 3.19Å; R44-L46 PolarHBondContact O-N 3.15Å
45	S	24.5	Very low	28.9	Very low	113 Å²	113	122 Å²	122	79%	0.79	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-52.7	132.9	178.9	51.3	0	0	0	0	111.2	A43	A43-S45 PolarHBondContact O-N 3.1Å
46	L	25.4	Very low	29.8	Very low	168 Å²	168	115.9 Å²	115.9	88%	0.88	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-49.3	130.4	179.7	-64.7	167	0	0	0	111.3	R44	R44-L46 PolarHBondContact O-N 3.15Å
47	P	28.1	Very low	31.2	Very low	107 Å²	107	114.5 Å²	114.5	70%	0.695	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-67.9	134.9	164.4	30.1	-32.2	0	0	0	109
48	G	26.2	Very low	32.7	Very low	73 Å²	73	110.9 Å²	110.9	75%	0.753	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-70.4	162	178.7	0	0	0	0	0	113.5
49	T	31.6	Very low	34.5	Very low	88 Å²	88	110.4 Å²	110.4	54%	0.54	63%	0.632	S	S	.	*	P	Polyproline II helix	trans	-52.7	137.8	178.8	-34.5	0	0	0	0	111.9	E292	T49-E292 HydrophobicContact CG2-CB 4.04Å
50	A	29.7	Very low	36.7	Very low	66 Å²	66	105.2 Å²	105.2	55%	0.545	60%	0.598	S	S	.	*	P	Polyproline II helix	trans	-78	126.8	174.6	0	0	0	0	0	110.4	C52	A50-C52 PolarHBondContact O-N 3.03Å
51	P	32.1	Very low	38.8	Very low	98 Å²	98	104.5 Å²	104.5	64%	0.636	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-71.1	123	175.6	28.6	-32.9	0	0	0	110.5
52	C	34.5	Very low	41.1	Very low	54 Å²	54	96.7 Å²	96.7	37%	0.365	55%	0.548	S	S	.	.	P	Polyproline II helix	trans	-65.8	136.7	176.3	-167.3	0	0	0	0	111.4	A50 K54	A50-C52 PolarHBondContact O-N 3.03Å; C52-K54 PolarHBondContact O-N 2.79Å
53	L	43	Very low	43.2	Very low	62 Å²	62	95.8 Å²	95.8	33%	0.325	54%	0.541	S	S	.	.			trans	-81.1	76.1	-169.1	-76.6	154.6	0	0	0	112.6	H55 L224 T226	L53-H55 PolarHBondContact O-N 3.35Å; L53-L224 HydrophobicContact CD1-CB 4.36Å; L53-L224 HydrophobicContact CD1-CD2 3.76Å; L53-L224 HydrophobicContact CD2-CD2 4.44Å; L53-T226 HydrophobicContact CD1-CG2 4.36Å
54	K	38.1	Very low	45.3	Very low	164 Å²	164	91.6 Å²	91.6	71%	0.713	51%	0.505	S	S	*	.	S	Bend	trans	-63.8	-9.6	177.5	-61.3	-162.3	174.5	-163.5	0	115.1	C52	C52-K54 PolarHBondContact O-N 2.79Å
55	H	45.3	Very low	47.6	Very low	162 Å²	162	83 Å²	83	75%	0.75	48%	0.477	S	S	*	.	S	Bend	trans	-139.2	136.3	177	-61.8	-47.3	0	0	0	110.8	L53	L53-H55 PolarHBondContact O-N 3.35Å
56	F	52	Low	49.6	Very low	64 Å²	64	81.3 Å²	81.3	28%	0.281	48%	0.478	S	S	.	.			trans	-71.5	149.8	170.9	-63.3	-73.9	0	0	0	110.8	L58 F195 I196	F56-L58 PolarHBondContact O-N 2.66Å; F56-F195 HydrophobicContact CD1-CB 3.88Å; F56-F195 HydrophobicContact CE1-CB 3.86Å; F56-I196 HydrophobicContact CE1-CG1 4.34Å; F56-I196 HydrophobicContact CZ-CG1 3.71Å
57	P	51.8	Low	52	Low	40 Å²	40	79.1 Å²	79.1	26%	0.26	46%	0.461	S	S	.	.	S	Bend	trans	-77.2	8.2	-177.5	29.9	-33.7	0	0	0	115	A220 L224	P57-A220 HydrophobicContact CB-CB 3.92Å; P57-A220 HydrophobicContact CG-CB 3.53Å; P57-L224 HydrophobicContact CG-CD2 4.34Å
58	L	57.6	Low	54.2	Low	28 Å²	28	74.8 Å²	74.8	15%	0.147	43%	0.433	C	S	.	.	S	Bend	trans	-139.2	153.9	176	-69.6	103.4	0	0	0	111.7	F56 L60 F195 L219 A220 V804 M808	F56-L58 PolarHBondContact O-N 2.66Å; L58-L60 VanDerWaalsContact C-N 3.29Å; L58-L60 HydrophobicContact CB-CD2 4.09Å; L58-L60 HydrophobicContact CB-CG 3.92Å; L58-L60 PolarHBondContact O-N 2.81Å; L58-F195 HydrophobicContact CD1-CE2 3.91Å; L58-F195 HydrophobicContact CD1-CZ 3.98Å; L58-L219 HydrophobicContact CD1-CB 3.68Å; L58-L219 HydrophobicContact CD2-CB 3.85Å; L58-L219 WeakPolarHBondContact CD2-O 3.13Å; L58-L219 HydrophobicContact CG-CB 4.39Å; L58-A220 HydrophobicContact CD1-CB 4.44Å; L58-V804 HydrophobicContact CD2-CG1 4.37Å; L58-M808 HydrophobicContact CD2-CE 4.41Å; L58-M808 HydrophobicContact CD2-SD 3.79Å
59	D	61.3	Low	56.4	Low	99 Å²	99	76.2 Å²	76.2	53%	0.529	42%	0.419	S	S	.	.			trans	-78.2	74.2	169.7	-166.5	0.7	0	0	0	111.8	R61	D59-R61 PolarHBondContact O-N 3.46Å; D59-R61 WeakPolarHBondContact OD1-CB 3.4Å; D59-R61 VanDerWaalsContact OD1-CG 3.25Å; D59-R61 WeakPolarHBondContact OD1-CG 3.5Å; D59-R61 IonicContact OD1-CZ 2.65Å; D59-R61 IonicContact OD1-NE 3.41Å; D59-R61 PolarHBondContact OD1-NE 3.4Å; D59-R61 IonicContact OD1-NH2 3.54Å; D59-R61 IonicContact OD2-CZ 2.79Å; D59-R61 IonicContact OD2-NE 3.61Å; D59-R61 PolarHBondContact OD2-NE 3.12Å; D59-R61 IonicContact OD2-NH2 3.17Å; D59-R61 PolarHBondContact OD2-NH2 2.74Å
60	L	68.5	Low	58.5	Low	9 Å²	9	78.1 Å²	78.1	5%	0.047	42%	0.421	C	S	.	.			trans	-81.8	42.7	177.7	-58.6	173.7	0	0	0	112.2	L58 V191 R192 F195 V804	L58-L60 VanDerWaalsContact C-N 3.29Å; L58-L60 HydrophobicContact CB-CD2 4.09Å; L58-L60 HydrophobicContact CB-CG 3.92Å; L58-L60 PolarHBondContact O-N 2.81Å; L60-V191 HydrophobicContact CD1-CG1 4.03Å; L60-V191 HydrophobicContact CD2-CG1 4.13Å; L60-R192 HydrophobicContact CB-CB 4.21Å; L60-R192 HydrophobicContact CB-CG 4.45Å; L60-R192 HydrophobicContact CD1-CB 3.92Å; L60-R192 HydrophobicContact CD1-CG 4.45Å; L60-R192 PolarHBondContact O-NH1 3.12Å; L60-F195 HydrophobicContact CD1-CD2 3.75Å; L60-F195 HydrophobicContact CD1-CE2 4.15Å; L60-V804 HydrophobicContact CD2-CG1 4.42Å
61	R	70.6	Confident	60.6	Low	165 Å²	165	76.8 Å²	76.8	62%	0.623	41%	0.405	S	S	*	.			trans	-72.7	138.5	172.2	-85.1	-175.6	-76.5	-173.3	-0.4	111.2	D59 D65 K188	D59-R61 PolarHBondContact O-N 3.46Å; D59-R61 WeakPolarHBondContact OD1-CB 3.4Å; D59-R61 VanDerWaalsContact OD1-CG 3.25Å; D59-R61 WeakPolarHBondContact OD1-CG 3.5Å; D59-R61 IonicContact OD1-CZ 2.65Å; D59-R61 IonicContact OD1-NE 3.41Å; D59-R61 PolarHBondContact OD1-NE 3.4Å; D59-R61 IonicContact OD1-NH2 3.54Å; D59-R61 IonicContact OD2-CZ 2.79Å; D59-R61 IonicContact OD2-NE 3.61Å; D59-R61 PolarHBondContact OD2-NE 3.12Å; D59-R61 IonicContact OD2-NH2 3.17Å; D59-R61 PolarHBondContact OD2-NH2 2.74Å; R61-D65 WeakPolarHBondContact CA-OD2 3.44Å; R61-K188 WeakPolarHBondContact O-CD 3.49Å
62	T	71	Confident	62.5	Low	19 Å²	19	72.3 Å²	72.3	12%	0.117	38%	0.376	C	S	.	.			trans	-131.3	167.8	-172.2	62.7	0	0	0	0	110.6	M64 D65 K188	T62-M64 PolarHBondContact O-N 3.45Å; T62-M64 PolarHBondContact OG1-N 3.38Å; T62-D65 PolarHBondContact N-OD2 3.06Å; T62-D65 PolarHBondContact O-N 3.45Å; T62-D65 PolarHBondContact OG1-OD2 3.03Å; T62-K188 HydrophobicContact CG2-CB 4.12Å
63	S	66.3	Low	64.5	Low	92 Å²	92	73.7 Å²	73.7	64%	0.643	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-8.2	172.6	59.6	0	0	0	0	115.8	D185	S63-D185 WeakPolarHBondContact CB-OD2 3.14Å; S63-D185 PolarHBondContact N-OD2 2.93Å; S63-D185 PolarHBondContact OG-OD2 2.87Å
64	M	68.6	Low	66.1	Low	13 Å²	13	74.8 Å²	74.8	6%	0.064	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-15.2	179.7	-59.8	-172.1	-67	0	0	114.6	T62 G66 K67 A310 L311 N314 I317	T62-M64 PolarHBondContact O-N 3.45Å; T62-M64 PolarHBondContact OG1-N 3.38Å; M64-G66 PolarHBondContact O-N 2.89Å; M64-K67 PolarHBondContact O-N 3.29Å; M64-A310 HydrophobicContact SD-CB 4.31Å; M64-L311 HydrophobicContact CE-CD2 3.6Å; M64-L311 HydrophobicContact CE-CG 3.91Å; M64-N314 HydrophobicContact SD-CB 3.82Å; M64-N314 PolarHBondContact SD-ND2 3.39Å; M64-I317 HydrophobicContact CE-CD1 3.9Å; M64-I317 HydrophobicContact SD-CD1 4.48Å
65	D	72.4	Confident	67.6	Low	58 Å²	58	68.4 Å²	68.4	31%	0.31	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	134.8	-171.5	-79.2	-75.7	0	0	0	112	R61 T62 R192	R61-D65 WeakPolarHBondContact CA-OD2 3.44Å; T62-D65 PolarHBondContact N-OD2 3.06Å; T62-D65 PolarHBondContact O-N 3.45Å; T62-D65 PolarHBondContact OG1-OD2 3.03Å; D65-R192 IonicContact OD1-CZ 2.98Å; D65-R192 VanDerWaalsContact OD1-CZ 3.27Å; D65-R192 IonicContact OD1-NH1 2.83Å; D65-R192 PolarHBondContact OD1-NH1 3.05Å; D65-R192 IonicContact OD1-NH2 2.67Å; D65-R192 PolarHBondContact OD1-NH2 3.26Å; D65-R192 IonicContact OD2-CZ 3.07Å; D65-R192 IonicContact OD2-NH1 3.81Å; D65-R192 PolarHBondContact OD2-NH1 3.2Å
66	G	67.6	Low	68.8	Low	79 Å²	79	61.6 Å²	61.6	81%	0.814	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.2	-15.9	-169.6	0	0	0	0	0	115	M64	M64-G66 PolarHBondContact O-N 2.89Å
67	K	74.9	Confident	69.6	Low	122 Å²	122	62.2 Å²	62.2	53%	0.53	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.7	-2.9	178.9	-64.4	-176.4	177.8	178.9	0	115.1	M64 K69 E70 I71	M64-K67 PolarHBondContact O-N 3.29Å; K67-K69 VanDerWaalsContact C-N 3.27Å; K67-K69 PolarHBondContact O-N 3.09Å; K67-K69 VanDerWaalsContact O-N 3.15Å; K67-E70 PolarHBondContact O-N 2.88Å; K67-E70 VanDerWaalsContact O-N 3.14Å; K67-I71 HydrophobicContact CB-CD1 3.85Å; K67-I71 HydrophobicContact CB-CG1 4.33Å; K67-I71 WeakPolarHBondContact O-CG1 3.28Å; K67-I71 PolarHBondContact O-N 3.13Å; K67-I71 VanDerWaalsContact O-N 3.08Å
68	C	74.8	Confident	70.5	Confident	15 Å²	15	66.4 Å²	66.4	10%	0.101	35%	0.345	C	S	.	.	H	α-helix	trans	-57.2	-33.7	-172.5	-54.9	0	0	0	0	114.2	A72 V307 A310	C68-A72 VanDerWaalsContact O-CB 3.23Å; C68-A72 WeakPolarHBondContact O-CB 3.43Å; C68-A72 PolarHBondContact O-N 3.14Å; C68-V307 HydrophobicContact CB-CG2 4.43Å; C68-A310 HydrophobicContact CB-CB 4.15Å
69	K	73.2	Confident	70.9	Confident	104 Å²	104	66.5 Å²	66.5	45%	0.452	35%	0.348	S	S	.	.	H	α-helix	trans	-64.9	-52.7	174.9	-179.7	172.8	172.9	173.7	0	111.4	K67 I71 A72 E73 E587	K67-K69 VanDerWaalsContact C-N 3.27Å; K67-K69 PolarHBondContact O-N 3.09Å; K67-K69 VanDerWaalsContact O-N 3.15Å; K69-I71 VanDerWaalsContact C-N 3.28Å; K69-I71 PolarHBondContact O-N 3.29Å; K69-A72 PolarHBondContact O-N 2.88Å; K69-A72 VanDerWaalsContact O-N 3.14Å; K69-E73 WeakPolarHBondContact CE-OE1 3.47Å; K69-E73 HydrophobicContact CG-CG 4.46Å; K69-E73 IonicContact NZ-OE1 3.84Å; K69-E73 WeakPolarHBondContact O-CG 3.13Å; K69-E73 PolarHBondContact O-N 3.26Å; K69-E587 IonicContact NZ-OE1 3.78Å; K69-E587 PolarHBondContact NZ-OE1 3.05Å
70	E	75.1	Confident	70.9	Confident	128 Å²	128	64.5 Å²	64.5	60%	0.598	34%	0.337	S	S	*	.	H	α-helix	trans	-56.6	-42.1	179.6	-56.1	175.6	161.1	0	0	111.6	K67 E74	K67-E70 PolarHBondContact O-N 2.88Å; K67-E70 VanDerWaalsContact O-N 3.14Å; E70-E74 PolarHBondContact O-N 3.08Å; E70-E74 VanDerWaalsContact O-N 3.1Å
71	I	74.4	Confident	70.4	Confident	37 Å²	37	65.9 Å²	65.9	19%	0.19	35%	0.35	C	S	.	.	H	α-helix	trans	-71.5	-38.3	179.8	-59	166.2	0	0	0	111	K67 K69 E74 L75 A310 I313	K67-I71 HydrophobicContact CB-CD1 3.85Å; K67-I71 HydrophobicContact CB-CG1 4.33Å; K67-I71 WeakPolarHBondContact O-CG1 3.28Å; K67-I71 PolarHBondContact O-N 3.13Å; K67-I71 VanDerWaalsContact O-N 3.08Å; K69-I71 VanDerWaalsContact C-N 3.28Å; K69-I71 PolarHBondContact O-N 3.29Å; I71-E74 WeakPolarHBondContact O-CB 3.37Å; I71-E74 PolarHBondContact O-N 3.09Å; I71-L75 PolarHBondContact O-N 3.45Å; I71-A310 HydrophobicContact CB-CB 3.98Å; I71-A310 HydrophobicContact CD1-CB 4.36Å; I71-A310 HydrophobicContact CG2-CB 3.83Å; I71-I313 HydrophobicContact CG2-CB 4.06Å; I71-I313 HydrophobicContact CG2-CD1 3.63Å; I71-I313 HydrophobicContact CG2-CG1 4.42Å; I71-I313 HydrophobicContact CG2-CG2 4.28Å; I71-I313 WeakPolarHBondContact O-CD1 3.32Å
72	A	71.6	Confident	69.7	Low	4 Å²	4	65.1 Å²	65.1	3%	0.033	35%	0.353	C	S	.	.	H	α-helix	trans	-67.7	-38.7	176.9	0	0	0	0	0	112.4	C68 K69 E74 L75 F76 N306 M309	C68-A72 VanDerWaalsContact O-CB 3.23Å; C68-A72 WeakPolarHBondContact O-CB 3.43Å; C68-A72 PolarHBondContact O-N 3.14Å; K69-A72 PolarHBondContact O-N 2.88Å; K69-A72 VanDerWaalsContact O-N 3.14Å; A72-E74 VanDerWaalsContact C-N 3.3Å; A72-E74 PolarHBondContact O-N 3.1Å; A72-L75 PolarHBondContact O-N 2.84Å; A72-F76 PolarHBondContact O-N 2.79Å; A72-N306 HydrophobicContact CB-CB 4.14Å; A72-N306 WeakPolarHBondContact CB-OD1 3.46Å; A72-M309 HydrophobicContact CB-CB 3.59Å; A72-M309 HydrophobicContact CB-CG 4.27Å
73	E	76.3	Confident	68.6	Low	84 Å²	84	65.5 Å²	65.5	39%	0.393	36%	0.357	S	S	.	.	H	α-helix	trans	-61.1	-39	171.5	-72	171.4	162.9	0	0	111	K69 L75 F76 S77	K69-E73 WeakPolarHBondContact CE-OE1 3.47Å; K69-E73 HydrophobicContact CG-CG 4.46Å; K69-E73 IonicContact NZ-OE1 3.84Å; K69-E73 WeakPolarHBondContact O-CG 3.13Å; K69-E73 PolarHBondContact O-N 3.26Å; E73-L75 VanDerWaalsContact C-N 3.35Å; E73-L75 PolarHBondContact O-N 2.77Å; E73-F76 PolarHBondContact O-N 2.87Å; E73-S77 PolarHBondContact O-N 3.27Å; E73-S77 PolarHBondContact O-OG 3.38Å
74	E	75.8	Confident	67.3	Low	84 Å²	84	69.1 Å²	69.1	39%	0.393	36%	0.364	S	S	.	.	H	α-helix	trans	-61.3	-38.6	173.5	-154.9	-161.3	167.7	0	0	112.8	E70 I71 A72 F76 R78	E70-E74 PolarHBondContact O-N 3.08Å; E70-E74 VanDerWaalsContact O-N 3.1Å; I71-E74 WeakPolarHBondContact O-CB 3.37Å; I71-E74 PolarHBondContact O-N 3.09Å; A72-E74 VanDerWaalsContact C-N 3.3Å; A72-E74 PolarHBondContact O-N 3.1Å; E74-F76 VanDerWaalsContact C-N 3.31Å; E74-F76 PolarHBondContact O-N 3.47Å; E74-R78 WeakPolarHBondContact O-CB 3.38Å; E74-R78 WeakPolarHBondContact O-CD 3.37Å; E74-R78 WeakPolarHBondContact O-CG 3.2Å; E74-R78 PolarHBondContact O-N 3.4Å; E74-R78 IonicContact OE1-CZ 3.58Å; E74-R78 IonicContact OE1-NE 3.79Å; E74-R78 PolarHBondContact OE1-NE 2.93Å; E74-R78 IonicContact OE1-NH2 3.96Å; E74-R78 PolarHBondContact OE1-NH2 3.04Å; E74-R78 IonicContact OE2-NH2 3.41Å
75	L	71.5	Confident	65.7	Low	30 Å²	30	75.2 Å²	75.2	16%	0.157	40%	0.396	C	S	.	.	H	α-helix	trans	-61.3	-43.9	175.1	-166.1	66.3	0	0	0	110.8	I71 A72 E73 R78 S79 M309 I313	I71-L75 PolarHBondContact O-N 3.45Å; A72-L75 PolarHBondContact O-N 2.84Å; E73-L75 VanDerWaalsContact C-N 3.35Å; E73-L75 PolarHBondContact O-N 2.77Å; L75-R78 PolarHBondContact O-N 2.91Å; L75-S79 WeakPolarHBondContact O-CB 3.16Å; L75-S79 PolarHBondContact O-N 2.93Å; L75-M309 HydrophobicContact CB-CE 4.1Å; L75-M309 HydrophobicContact CD2-CE 3.73Å; L75-M309 HydrophobicContact CD2-SD 3.61Å; L75-M309 HydrophobicContact CG-CE 4.38Å; L75-I313 HydrophobicContact CB-CD1 3.57Å; L75-I313 HydrophobicContact CB-CG1 4.28Å; L75-I313 HydrophobicContact CD1-CD1 4Å; L75-I313 HydrophobicContact CD1-CG1 3.78Å; L75-I313 HydrophobicContact CG-CD1 4.31Å
76	F	68.9	Low	64.1	Low	20 Å²	20	79.3 Å²	79.3	9%	0.088	41%	0.407	C	S	.	.	H	α-helix	trans	-68.7	-44.5	-177.7	-174.7	-102.4	0	0	0	112	A72 E73 E74 R78 S79 L80 V583	A72-F76 PolarHBondContact O-N 2.79Å; E73-F76 PolarHBondContact O-N 2.87Å; E74-F76 VanDerWaalsContact C-N 3.31Å; E74-F76 PolarHBondContact O-N 3.47Å; F76-R78 VanDerWaalsContact C-N 3.28Å; F76-R78 PolarHBondContact O-N 3.07Å; F76-S79 CarbonylContact O-C 3.59Å; F76-S79 WeakPolarHBondContact O-CB 3.45Å; F76-S79 PolarHBondContact O-N 3.43Å; F76-L80 HydrophobicContact CD1-CD1 3.91Å; F76-L80 HydrophobicContact CD1-CG 4.09Å; F76-L80 HydrophobicContact CE1-CD1 3.38Å; F76-L80 HydrophobicContact CE1-CD2 4.17Å; F76-L80 HydrophobicContact CE1-CG 3.69Å; F76-L80 HydrophobicContact CE2-CG 4.5Å; F76-L80 HydrophobicContact CZ-CD1 4Å; F76-L80 HydrophobicContact CZ-CD2 3.91Å; F76-L80 HydrophobicContact CZ-CG 3.9Å; F76-L80 PolarHBondContact O-N 2.89Å; F76-V583 HydrophobicContact CB-CG2 4.12Å; F76-V583 HydrophobicContact CD1-CG2 3.24Å; F76-V583 HydrophobicContact CD2-CG2 3.87Å; F76-V583 HydrophobicContact CE1-CG2 3.41Å; F76-V583 VanDerWaalsContact CE1-CG2 3.41Å; F76-V583 HydrophobicContact CE2-CG2 4.04Å; F76-V583 HydrophobicContact CG-CG2 3.47Å; F76-V583 VanDerWaalsContact CG-CG2 3.47Å; F76-V583 HydrophobicContact CZ-CG2 3.82Å
77	S	70.1	Confident	62.3	Low	76 Å²	76	79.8 Å²	79.8	53%	0.531	40%	0.398	S	S	.	.	H	α-helix	trans	-59.9	-38.3	174.3	-61.8	0	0	0	0	112.3	E73 A81	E73-S77 PolarHBondContact O-N 3.27Å; E73-S77 PolarHBondContact O-OG 3.38Å; S77-A81 WeakPolarHBondContact O-CB 3.25Å; S77-A81 PolarHBondContact O-N 2.78Å
78	R	70.4	Confident	60.1	Low	128 Å²	128	77.2 Å²	77.2	48%	0.483	40%	0.399	S	S	.	.	H	α-helix	trans	-65.4	-41.1	172	-70.7	165.8	175.2	-136.4	11	111.9	E74 L75 F76 A81 E82	E74-R78 WeakPolarHBondContact O-CB 3.38Å; E74-R78 WeakPolarHBondContact O-CD 3.37Å; E74-R78 WeakPolarHBondContact O-CG 3.2Å; E74-R78 PolarHBondContact O-N 3.4Å; E74-R78 IonicContact OE1-CZ 3.58Å; E74-R78 IonicContact OE1-NE 3.79Å; E74-R78 PolarHBondContact OE1-NE 2.93Å; E74-R78 IonicContact OE1-NH2 3.96Å; E74-R78 PolarHBondContact OE1-NH2 3.04Å; E74-R78 IonicContact OE2-NH2 3.41Å; L75-R78 PolarHBondContact O-N 2.91Å; F76-R78 VanDerWaalsContact C-N 3.28Å; F76-R78 PolarHBondContact O-N 3.07Å; R78-A81 PolarHBondContact O-N 2.82Å; R78-E82 PolarHBondContact O-N 3.18Å
79	S	64.9	Low	58.2	Low	30 Å²	30	80.1 Å²	80.1	21%	0.21	42%	0.418	C	S	.	.	H	α-helix	trans	-68.2	-35.4	179.2	-166	0	0	0	0	113.2	L75 F76 S83 P639	L75-S79 WeakPolarHBondContact O-CB 3.16Å; L75-S79 PolarHBondContact O-N 2.93Å; F76-S79 CarbonylContact O-C 3.59Å; F76-S79 WeakPolarHBondContact O-CB 3.45Å; F76-S79 PolarHBondContact O-N 3.43Å; S79-S83 PolarHBondContact O-N 2.62Å; S79-P639 WeakPolarHBondContact OG-CB 3.49Å
80	L	62.1	Low	56.6	Low	57 Å²	57	83.9 Å²	83.9	30%	0.298	43%	0.43	S	S	.	.	H	α-helix	trans	-65.1	-48.7	169.3	-74.6	-175.9	0	0	0	110.5	F76 E82 S83 E84 E580	F76-L80 HydrophobicContact CD1-CD1 3.91Å; F76-L80 HydrophobicContact CD1-CG 4.09Å; F76-L80 HydrophobicContact CE1-CD1 3.38Å; F76-L80 HydrophobicContact CE1-CD2 4.17Å; F76-L80 HydrophobicContact CE1-CG 3.69Å; F76-L80 HydrophobicContact CE2-CG 4.5Å; F76-L80 HydrophobicContact CZ-CD1 4Å; F76-L80 HydrophobicContact CZ-CD2 3.91Å; F76-L80 HydrophobicContact CZ-CG 3.9Å; F76-L80 PolarHBondContact O-N 2.89Å; L80-E82 VanDerWaalsContact C-N 3.34Å; L80-E82 PolarHBondContact O-N 3.41Å; L80-S83 CarbonylContact O-C 3.39Å; L80-S83 WeakPolarHBondContact O-CA 3.28Å; L80-S83 WeakPolarHBondContact O-CB 3.39Å; L80-S83 PolarHBondContact O-N 2.89Å; L80-E84 PolarHBondContact O-N 2.98Å; L80-E580 WeakPolarHBondContact CD2-O 3.01Å
81	A	57.8	Low	54.6	Low	39 Å²	39	85.9 Å²	85.9	32%	0.322	44%	0.44	S	S	.	.	H	α-helix	trans	-60.3	-39.9	178.8	0	0	0	0	0	112.7	S77 R78 S83 E84 L85	S77-A81 WeakPolarHBondContact O-CB 3.25Å; S77-A81 PolarHBondContact O-N 2.78Å; R78-A81 PolarHBondContact O-N 2.82Å; A81-S83 PolarHBondContact O-N 3.11Å; A81-E84 PolarHBondContact O-N 3.48Å; A81-L85 VanDerWaalsContact O-CB 3.25Å; A81-L85 WeakPolarHBondContact O-CB 3.01Å; A81-L85 WeakPolarHBondContact O-CG 3.49Å; A81-L85 PolarHBondContact O-N 3.19Å
82	E	55.4	Low	52.5	Low	148 Å²	148	90.7 Å²	90.7	69%	0.692	46%	0.46	S	S	*	.	H	α-helix	trans	-65.6	-23.3	171.7	-76	-174.4	-164.6	0	0	113	R78 L80	R78-E82 PolarHBondContact O-N 3.18Å; L80-E82 VanDerWaalsContact C-N 3.34Å; L80-E82 PolarHBondContact O-N 3.41Å
83	S	48.5	Very low	50.6	Low	28 Å²	28	95.5 Å²	95.5	20%	0.196	49%	0.491	C	S	.	.	H	α-helix	trans	-85	-31.7	173.8	-162	0	0	0	0	113.3	S79 L80 A81 R86	S79-S83 PolarHBondContact O-N 2.62Å; L80-S83 CarbonylContact O-C 3.39Å; L80-S83 WeakPolarHBondContact O-CA 3.28Å; L80-S83 WeakPolarHBondContact O-CB 3.39Å; L80-S83 PolarHBondContact O-N 2.89Å; A81-S83 PolarHBondContact O-N 3.11Å; S83-R86 WeakPolarHBondContact O-CD 3.41Å; S83-R86 VanDerWaalsContact O-CG 3.29Å; S83-R86 WeakPolarHBondContact O-CG 3.46Å; S83-R86 PolarHBondContact OG-NH2 2.92Å
84	E	39.5	Very low	48.8	Very low	168 Å²	168	100.1 Å²	100.1	79%	0.785	51%	0.512	S	S	*	.	H	α-helix	trans	-75.6	-35.3	173.5	-69.4	-175.2	160.8	0	0	112.3	L80 A81 R86	L80-E84 PolarHBondContact O-N 2.98Å; A81-E84 PolarHBondContact O-N 3.48Å; E84-R86 PolarHBondContact O-N 3.27Å
85	L	35.3	Very low	46.9	Very low	140 Å²	140	99 Å²	99	73%	0.733	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	14	177.6	-81.1	162.6	0	0	0	114.3	A81 S87	A81-L85 VanDerWaalsContact O-CB 3.25Å; A81-L85 WeakPolarHBondContact O-CB 3.01Å; A81-L85 WeakPolarHBondContact O-CG 3.49Å; A81-L85 PolarHBondContact O-N 3.19Å; L85-S87 VanDerWaalsContact C-N 3.32Å; L85-S87 PolarHBondContact O-N 3.25Å
86	R	38.5	Very low	45.4	Very low	145 Å²	145	99.5 Å²	99.5	55%	0.547	52%	0.523	S	S	.	.			trans	-68.4	84.7	175.5	-71.8	-177.7	-169.4	-169.1	10.9	111.4	S83 E84 S577	S83-R86 WeakPolarHBondContact O-CD 3.41Å; S83-R86 VanDerWaalsContact O-CG 3.29Å; S83-R86 WeakPolarHBondContact O-CG 3.46Å; S83-R86 PolarHBondContact OG-NH2 2.92Å; E84-R86 PolarHBondContact O-N 3.27Å; R86-S577 PolarHBondContact NH1-O 3.14Å; R86-S577 PolarHBondContact NH2-O 2.8Å
87	S	28.6	Very low	44	Very low	89 Å²	89	103.1 Å²	103.1	62%	0.622	55%	0.548	S	S	*	.			trans	-55.4	165.8	144.5	56.1	0	0	0	0	109.9	L85	L85-S87 VanDerWaalsContact C-N 3.32Å; L85-S87 PolarHBondContact O-N 3.25Å
88	A	28.6	Very low	42.8	Very low	68 Å²	68	104.1 Å²	104.1	56%	0.562	55%	0.547	S	S	*	.			trans	-56.1	144.5	177.4	0	0	0	0	0	110.6	Y90	A88-Y90 PolarHBondContact O-N 3.07Å
89	P	35.9	Very low	41.6	Very low	75 Å²	75	101.8 Å²	101.8	49%	0.487	54%	0.542	S	S	.	.	S	Bend	trans	-60.1	1.4	-176.8	-26.3	35.3	0	0	0	116.6	E91	P89-E91 PolarHBondContact O-N 3.06Å
90	Y	40.3	Very low	40.6	Very low	183 Å²	183	104.9 Å²	104.9	72%	0.718	55%	0.553	S	S	*	*	S	Bend	trans	-96.5	35	-176.3	-63.8	-80.7	0	0	0	113.2	A88	A88-Y90 PolarHBondContact O-N 3.07Å
91	E	31.7	Very low	40	Very low	170 Å²	170	107.7 Å²	107.7	79%	0.794	57%	0.568	S	S	*	*			trans	-160.4	88.4	157.3	-114.1	164	-138.2	0	0	109.8	P89	P89-E91 PolarHBondContact O-N 3.06Å
92	F	30.2	Very low	39.6	Very low	139 Å²	139	109 Å²	109	61%	0.61	57%	0.567	S	S	*	*			trans	-64.9	130.6	159.2	-80.9	-97.5	0	0	0	107.8	E94	F92-E94 PolarHBondContact O-N 2.7Å
93	P	32.7	Very low	39.4	Very low	105 Å²	105	106.4 Å²	106.4	68%	0.682	56%	0.555	S	S	*	*			trans	-59.3	122.3	161.9	-19.4	31.8	0	0	0	108.3	A95	P93-A95 HydrophobicContact CB-CB 4.23Å; P93-A95 PolarHBondContact O-N 3.08Å
94	E	38.5	Very low	39.4	Very low	181 Å²	181	113.6 Å²	113.6	85%	0.846	58%	0.577	S	S	*	*	S	Bend	trans	-69.1	28.2	175.4	-56.9	-173.3	132.2	0	0	112.5	F92 Q100	F92-E94 PolarHBondContact O-N 2.7Å; E94-Q100 WeakPolarHBondContact O-CG 3.47Å; E94-Q100 PolarHBondContact O-NE2 3.05Å
95	A	36.3	Very low	40.3	Very low	60 Å²	60	111 Å²	111	50%	0.496	56%	0.561	S	S	.	*			trans	-141.5	27.8	-148.8	0	0	0	0	0	113.3	P93 P97	P93-A95 HydrophobicContact CB-CB 4.23Å; P93-A95 PolarHBondContact O-N 3.08Å; A95-P97 WeakPolarHBondContact O-CD 3.39Å
96	S	38.2	Very low	41.3	Very low	41 Å²	41	108.9 Å²	108.9	29%	0.287	55%	0.547	S	S	.	.			trans	-73.1	123	152.2	90	0	0	0	0	107.3	I98 E99 Q100	S96-I98 PolarHBondContact O-N 2.99Å; S96-I98 VanDerWaalsContact O-N 3.08Å; S96-E99 PolarHBondContact O-N 3.13Å; S96-E99 VanDerWaalsContact OG-CB 3.24Å; S96-E99 WeakPolarHBondContact OG-CB 3.28Å; S96-E99 VanDerWaalsContact OG-CG 3.32Å; S96-E99 WeakPolarHBondContact OG-CG 3.46Å; S96-E99 PolarHBondContact OG-N 3.07Å; S96-E99 VanDerWaalsContact OG-N 3.14Å; S96-E99 PolarHBondContact OG-OE2 2.98Å; S96-Q100 PolarHBondContact O-N 3.46Å
97	P	40.5	Very low	42.3	Very low	95 Å²	95	108.7 Å²	108.7	62%	0.617	55%	0.546	S	S	*	.	H	α-helix	trans	-61.6	-21.1	-177.5	-26.4	36	0	0	0	113.3	A95 L101	A95-P97 WeakPolarHBondContact O-CD 3.39Å; P97-L101 WeakPolarHBondContact O-CB 3.25Å; P97-L101 WeakPolarHBondContact O-CD1 3.22Å; P97-L101 VanDerWaalsContact O-CG 3.24Å; P97-L101 WeakPolarHBondContact O-CG 3.43Å; P97-L101 PolarHBondContact O-N 3.29Å; P97-L101 VanDerWaalsContact O-N 3.15Å
98	I	44.2	Very low	43.4	Very low	97 Å²	97	109.2 Å²	109.2	50%	0.497	54%	0.542	S	S	.	.	H	α-helix	trans	-75.2	-50.4	177.2	-59.7	172.9	0	0	0	110.3	S96 Q100 L101 E102	S96-I98 PolarHBondContact O-N 2.99Å; S96-I98 VanDerWaalsContact O-N 3.08Å; I98-Q100 VanDerWaalsContact C-N 3.29Å; I98-Q100 PolarHBondContact O-N 3.07Å; I98-L101 WeakPolarHBondContact O-CB 3.49Å; I98-L101 PolarHBondContact O-N 2.83Å; I98-E102 PolarHBondContact O-N 3.42Å
99	E	46.7	Very low	44.6	Very low	80 Å²	80	110.2 Å²	110.2	37%	0.374	54%	0.535	S	S	.	.	H	α-helix	trans	-65.5	-32.7	176.2	-71.9	168.3	116.1	0	0	111.5	S96 L101 E102 E103 R692	S96-E99 PolarHBondContact O-N 3.13Å; S96-E99 VanDerWaalsContact OG-CB 3.24Å; S96-E99 WeakPolarHBondContact OG-CB 3.28Å; S96-E99 VanDerWaalsContact OG-CG 3.32Å; S96-E99 WeakPolarHBondContact OG-CG 3.46Å; S96-E99 PolarHBondContact OG-N 3.07Å; S96-E99 VanDerWaalsContact OG-N 3.14Å; S96-E99 PolarHBondContact OG-OE2 2.98Å; E99-L101 VanDerWaalsContact C-N 3.32Å; E99-L101 PolarHBondContact O-N 2.92Å; E99-E102 PolarHBondContact O-N 3.15Å; E99-E103 VanDerWaalsContact O-CB 3.26Å; E99-E103 WeakPolarHBondContact O-CB 3.29Å; E99-E103 PolarHBondContact O-N 3.49Å; E99-R692 IonicContact OE1-NH2 2.79Å; E99-R692 PolarHBondContact OE1-NH2 3.21Å
100	Q	44.2	Very low	45.8	Very low	94 Å²	94	114.1 Å²	114.1	44%	0.439	54%	0.54	S	S	.	.	H	α-helix	trans	-65	-33.5	171	-72.6	-164.7	0.6	0	0	113.2	E94 S96 I98 R104	E94-Q100 WeakPolarHBondContact O-CG 3.47Å; E94-Q100 PolarHBondContact O-NE2 3.05Å; S96-Q100 PolarHBondContact O-N 3.46Å; I98-Q100 VanDerWaalsContact C-N 3.29Å; I98-Q100 PolarHBondContact O-N 3.07Å; Q100-R104 WeakPolarHBondContact O-CB 3.49Å; Q100-R104 WeakPolarHBondContact O-CG 3.3Å; Q100-R104 PolarHBondContact O-N 3.12Å
101	L	48	Very low	46.2	Very low	117 Å²	117	110.4 Å²	110.4	61%	0.613	53%	0.529	S	S	*	.	H	α-helix	trans	-74	-40.3	174.7	-78.6	167.8	0	0	0	111.8	P97 I98 E99 R105	P97-L101 WeakPolarHBondContact O-CB 3.25Å; P97-L101 WeakPolarHBondContact O-CD1 3.22Å; P97-L101 VanDerWaalsContact O-CG 3.24Å; P97-L101 WeakPolarHBondContact O-CG 3.43Å; P97-L101 PolarHBondContact O-N 3.29Å; P97-L101 VanDerWaalsContact O-N 3.15Å; I98-L101 WeakPolarHBondContact O-CB 3.49Å; I98-L101 PolarHBondContact O-N 2.83Å; E99-L101 VanDerWaalsContact C-N 3.32Å; E99-L101 PolarHBondContact O-N 2.92Å; L101-R105 VanDerWaalsContact O-CB 3.22Å; L101-R105 WeakPolarHBondContact O-CB 3.23Å; L101-R105 PolarHBondContact O-N 3.43Å
102	E	50.3	Low	47.1	Very low	66 Å²	66	106.9 Å²	106.9	31%	0.308	51%	0.514	S	S	.	.	H	α-helix	trans	-69.9	-40.1	176.5	-69.7	-175.4	153.6	0	0	111.9	I98 E99 R105 Q106 Q326	I98-E102 PolarHBondContact O-N 3.42Å; E99-E102 PolarHBondContact O-N 3.15Å; E102-R105 WeakPolarHBondContact O-CB 3.4Å; E102-R105 PolarHBondContact O-N 3.47Å; E102-Q106 WeakPolarHBondContact O-CG 3.22Å; E102-Q106 PolarHBondContact O-N 2.88Å; E102-Q326 PolarHBondContact OE1-NE2 2.67Å
103	E	50	Low	48.2	Very low	93 Å²	93	104.9 Å²	104.9	44%	0.435	52%	0.518	S	S	.	.	H	α-helix	trans	-72.6	-37.8	175.6	-150	-141.2	162.5	0	0	111.5	E99 R105 Q106 R107	E99-E103 VanDerWaalsContact O-CB 3.26Å; E99-E103 WeakPolarHBondContact O-CB 3.29Å; E99-E103 PolarHBondContact O-N 3.49Å; E103-R105 VanDerWaalsContact C-N 3.31Å; E103-R105 PolarHBondContact O-N 2.92Å; E103-Q106 PolarHBondContact O-N 2.89Å; E103-R107 VanDerWaalsContact O-CB 3.31Å; E103-R107 WeakPolarHBondContact O-CB 3.38Å; E103-R107 WeakPolarHBondContact O-CG 3.49Å; E103-R107 PolarHBondContact O-N 3.43Å; E103-R107 IonicContact OE1-CZ 2.72Å; E103-R107 IonicContact OE1-NE 3.35Å; E103-R107 PolarHBondContact OE1-NE 2.95Å; E103-R107 IonicContact OE1-NH2 3.41Å; E103-R107 PolarHBondContact OE1-NH2 3.41Å; E103-R107 IonicContact OE2-CZ 3.35Å; E103-R107 IonicContact OE2-NE 3.82Å; E103-R107 PolarHBondContact OE2-NE 3.29Å; E103-R107 IonicContact OE2-NH2 2.87Å; E103-R107 PolarHBondContact OE2-NH2 3.41Å
104	R	50.3	Low	49.1	Very low	179 Å²	179	106.6 Å²	106.6	68%	0.675	52%	0.517	S	S	*	.	H	α-helix	trans	-59	-43	167.3	-84.7	-179.1	170.4	-168.4	-1.1	111.2	Q100 R107 L108	Q100-R104 WeakPolarHBondContact O-CB 3.49Å; Q100-R104 WeakPolarHBondContact O-CG 3.3Å; Q100-R104 PolarHBondContact O-N 3.12Å; R104-R107 PolarHBondContact O-N 3.25Å; R104-L108 VanDerWaalsContact O-CB 3.29Å; R104-L108 WeakPolarHBondContact O-CB 3.21Å; R104-L108 PolarHBondContact O-N 3.01Å
105	R	57	Low	49.3	Very low	114 Å²	114	104.2 Å²	104.2	43%	0.43	51%	0.51	S	S	.	.	H	α-helix	trans	-62	-47.6	177	179.1	-179.2	167.2	-173.6	-5.6	111.1	L101 E102 E103 R107 L108 E109	L101-R105 VanDerWaalsContact O-CB 3.22Å; L101-R105 WeakPolarHBondContact O-CB 3.23Å; L101-R105 PolarHBondContact O-N 3.43Å; E102-R105 WeakPolarHBondContact O-CB 3.4Å; E102-R105 PolarHBondContact O-N 3.47Å; E103-R105 VanDerWaalsContact C-N 3.31Å; E103-R105 PolarHBondContact O-N 2.92Å; R105-R107 PolarHBondContact O-N 3.45Å; R105-L108 CarbonylContact O-C 3.57Å; R105-L108 PolarHBondContact O-N 2.62Å; R105-E109 HydrophobicContact CG-CG 4.38Å; R105-E109 IonicContact CZ-OE1 3.63Å; R105-E109 VanDerWaalsContact CZ-OE1 3.28Å; R105-E109 IonicContact NE-OE1 3.55Å; R105-E109 PolarHBondContact NE-OE1 2.93Å; R105-E109 IonicContact NH2-OE1 2.64Å; R105-E109 PolarHBondContact NH2-OE1 2.86Å; R105-E109 WeakPolarHBondContact O-CB 3.25Å; R105-E109 WeakPolarHBondContact O-CG 3.45Å; R105-E109 PolarHBondContact O-N 3.27Å
106	Q	56.3	Low	49.7	Very low	95 Å²	95	105.4 Å²	105.4	44%	0.444	51%	0.51	S	S	.	.	H	α-helix	trans	-64.9	-37.4	176.3	-72	-172	26.5	0	0	112.6	E102 E103 R110	E102-Q106 WeakPolarHBondContact O-CG 3.22Å; E102-Q106 PolarHBondContact O-N 2.88Å; E103-Q106 PolarHBondContact O-N 2.89Å; Q106-R110 WeakPolarHBondContact O-CB 3.41Å; Q106-R110 WeakPolarHBondContact O-CG 3.25Å; Q106-R110 PolarHBondContact O-N 3.46Å
107	R	60	Low	50.1	Low	141 Å²	141	112.4 Å²	112.4	53%	0.532	54%	0.536	S	S	.	.	H	α-helix	trans	-64.3	-40.6	172.5	-72.4	174.6	-175.3	-163.6	11.1	110.8	E103 R104 R105 R110 Q111	E103-R107 VanDerWaalsContact O-CB 3.31Å; E103-R107 WeakPolarHBondContact O-CB 3.38Å; E103-R107 WeakPolarHBondContact O-CG 3.49Å; E103-R107 PolarHBondContact O-N 3.43Å; E103-R107 IonicContact OE1-CZ 2.72Å; E103-R107 IonicContact OE1-NE 3.35Å; E103-R107 PolarHBondContact OE1-NE 2.95Å; E103-R107 IonicContact OE1-NH2 3.41Å; E103-R107 PolarHBondContact OE1-NH2 3.41Å; E103-R107 IonicContact OE2-CZ 3.35Å; E103-R107 IonicContact OE2-NE 3.82Å; E103-R107 PolarHBondContact OE2-NE 3.29Å; E103-R107 IonicContact OE2-NH2 2.87Å; E103-R107 PolarHBondContact OE2-NH2 3.41Å; R104-R107 PolarHBondContact O-N 3.25Å; R105-R107 PolarHBondContact O-N 3.45Å; R107-R110 PolarHBondContact O-N 2.89Å; R107-Q111 WeakPolarHBondContact O-CB 3.5Å; R107-Q111 WeakPolarHBondContact O-CG 3.46Å; R107-Q111 PolarHBondContact O-N 3.28Å
108	L	51.3	Low	50.3	Low	101 Å²	101	112.5 Å²	112.5	53%	0.529	53%	0.531	S	S	.	.	H	α-helix	trans	-68.8	-42.8	177.1	-153	81.5	0	0	0	112	R104 R105 R110 Q111 I112	R104-L108 VanDerWaalsContact O-CB 3.29Å; R104-L108 WeakPolarHBondContact O-CB 3.21Å; R104-L108 PolarHBondContact O-N 3.01Å; R105-L108 CarbonylContact O-C 3.57Å; R105-L108 PolarHBondContact O-N 2.62Å; L108-R110 VanDerWaalsContact C-N 3.32Å; L108-R110 PolarHBondContact O-N 3.44Å; L108-Q111 PolarHBondContact O-N 3.37Å; L108-I112 HydrophobicContact CD2-CD1 4.31Å; L108-I112 HydrophobicContact CG-CD1 4.18Å; L108-I112 WeakPolarHBondContact O-CB 3.36Å; L108-I112 WeakPolarHBondContact O-CD1 3.48Å; L108-I112 VanDerWaalsContact O-CG1 3.22Å; L108-I112 WeakPolarHBondContact O-CG1 3.14Å; L108-I112 PolarHBondContact O-N 3.19Å
109	E	53.8	Low	50.3	Low	89 Å²	89	114.1 Å²	114.1	42%	0.416	54%	0.536	S	S	.	.	H	α-helix	trans	-62.9	-38.1	174.5	-74.3	169.7	170	0	0	111	R105 S113	R105-E109 HydrophobicContact CG-CG 4.38Å; R105-E109 IonicContact CZ-OE1 3.63Å; R105-E109 VanDerWaalsContact CZ-OE1 3.28Å; R105-E109 IonicContact NE-OE1 3.55Å; R105-E109 PolarHBondContact NE-OE1 2.93Å; R105-E109 IonicContact NH2-OE1 2.64Å; R105-E109 PolarHBondContact NH2-OE1 2.86Å; R105-E109 WeakPolarHBondContact O-CB 3.25Å; R105-E109 WeakPolarHBondContact O-CG 3.45Å; R105-E109 PolarHBondContact O-N 3.27Å; E109-S113 WeakPolarHBondContact O-CB 3.43Å; E109-S113 PolarHBondContact O-N 2.77Å
110	R	60.8	Low	50.4	Low	157 Å²	157	115.2 Å²	115.2	59%	0.592	55%	0.55	S	S	*	*	H	α-helix	trans	-68.2	-38.9	171.6	-71.4	171.2	-163.5	-176.3	10	112.7	Q106 R107 L108 S113 Q114	Q106-R110 WeakPolarHBondContact O-CB 3.41Å; Q106-R110 WeakPolarHBondContact O-CG 3.25Å; Q106-R110 PolarHBondContact O-N 3.46Å; R107-R110 PolarHBondContact O-N 2.89Å; L108-R110 VanDerWaalsContact C-N 3.32Å; L108-R110 PolarHBondContact O-N 3.44Å; R110-S113 PolarHBondContact O-N 3.27Å; R110-Q114 VanDerWaalsContact O-CG 3.32Å; R110-Q114 WeakPolarHBondContact O-CG 3.22Å; R110-Q114 PolarHBondContact O-N 2.92Å; R110-Q114 VanDerWaalsContact O-N 3.15Å
111	Q	49.7	Very low	50.5	Low	105 Å²	105	115.8 Å²	115.8	49%	0.491	56%	0.556	S	S	.	*	H	α-helix	trans	-66.7	-46.7	175.1	-78	178.2	-51.9	0	0	111.4	R107 L108 S113 Q114 D115	R107-Q111 WeakPolarHBondContact O-CB 3.5Å; R107-Q111 WeakPolarHBondContact O-CG 3.46Å; R107-Q111 PolarHBondContact O-N 3.28Å; L108-Q111 PolarHBondContact O-N 3.37Å; Q111-S113 VanDerWaalsContact C-N 3.26Å; Q111-S113 PolarHBondContact O-N 2.75Å; Q111-Q114 CarbonylContact O-C 3.56Å; Q111-Q114 WeakPolarHBondContact O-CA 3.46Å; Q111-Q114 PolarHBondContact O-N 2.86Å; Q111-D115 WeakPolarHBondContact O-CB 3.2Å; Q111-D115 PolarHBondContact O-N 3.47Å
112	I	50.7	Low	50.6	Low	95 Å²	95	114.9 Å²	114.9	49%	0.487	55%	0.551	S	S	.	*	H	α-helix	trans	-57.1	-42.1	172.9	-67.8	162.6	0	0	0	110.2	L108 Q114 V116	L108-I112 HydrophobicContact CD2-CD1 4.31Å; L108-I112 HydrophobicContact CG-CD1 4.18Å; L108-I112 WeakPolarHBondContact O-CB 3.36Å; L108-I112 WeakPolarHBondContact O-CD1 3.48Å; L108-I112 VanDerWaalsContact O-CG1 3.22Å; L108-I112 WeakPolarHBondContact O-CG1 3.14Å; L108-I112 PolarHBondContact O-N 3.19Å; I112-Q114 PolarHBondContact O-N 3.07Å; I112-V116 HydrophobicContact CG2-CG2 4.09Å; I112-V116 WeakPolarHBondContact O-CB 3.36Å; I112-V116 WeakPolarHBondContact O-CG2 3.32Å; I112-V116 PolarHBondContact O-N 2.61Å
113	S	53.8	Low	50.3	Low	98 Å²	98	116.6 Å²	116.6	69%	0.685	56%	0.562	S	S	*	*	H	α-helix	trans	-67.3	-11.6	174.8	-167.5	0	0	0	0	114.8	E109 R110 Q111	E109-S113 WeakPolarHBondContact O-CB 3.43Å; E109-S113 PolarHBondContact O-N 2.77Å; R110-S113 PolarHBondContact O-N 3.27Å; Q111-S113 VanDerWaalsContact C-N 3.26Å; Q111-S113 PolarHBondContact O-N 2.75Å
114	Q	50.5	Low	50.2	Low	141 Å²	141	116.6 Å²	116.6	66%	0.659	56%	0.564	S	S	*	*	H	α-helix	trans	-106.6	-34.2	176.5	-72.9	175.9	-2.9	0	0	113.1	R110 Q111 I112	R110-Q114 VanDerWaalsContact O-CG 3.32Å; R110-Q114 WeakPolarHBondContact O-CG 3.22Å; R110-Q114 PolarHBondContact O-N 2.92Å; R110-Q114 VanDerWaalsContact O-N 3.15Å; Q111-Q114 CarbonylContact O-C 3.56Å; Q111-Q114 WeakPolarHBondContact O-CA 3.46Å; Q111-Q114 PolarHBondContact O-N 2.86Å; I112-Q114 PolarHBondContact O-N 3.07Å
115	D	41.8	Very low	49.9	Very low	131 Å²	131	116.2 Å²	116.2	70%	0.701	56%	0.563	S	S	*	*	H	α-helix	trans	-80	-24.5	176.7	-70.2	-34.6	0	0	0	112	Q111 K117	Q111-D115 WeakPolarHBondContact O-CB 3.2Å; Q111-D115 PolarHBondContact O-N 3.47Å; D115-K117 PolarHBondContact O-N 3.42Å
116	V	46.6	Very low	49.4	Very low	84 Å²	84	113.5 Å²	113.5	51%	0.509	57%	0.565	S	S	.	*			trans	-73.3	68.6	165.7	178.7	0	0	0	0	109.6	I112 L118	I112-V116 HydrophobicContact CG2-CG2 4.09Å; I112-V116 WeakPolarHBondContact O-CB 3.36Å; I112-V116 WeakPolarHBondContact O-CG2 3.32Å; I112-V116 PolarHBondContact O-N 2.61Å; V116-L118 HydrophobicContact CG1-CD1 3.82Å; V116-L118 HydrophobicContact CG1-CG 3.74Å; V116-L118 PolarHBondContact O-N 3.41Å
117	K	45.4	Very low	48.7	Very low	188 Å²	188	115.9 Å²	115.9	82%	0.817	57%	0.574	S	S	*	*			trans	-70.7	75.3	161	-72.5	-177.3	179	173.9	0	109.4	D115 E119	D115-K117 PolarHBondContact O-N 3.42Å; K117-E119 PolarHBondContact O-N 2.74Å
118	L	46	Very low	48	Very low	97 Å²	97	113.9 Å²	113.9	51%	0.508	57%	0.57	S	S	.	*			trans	-58.6	123.2	164.6	-81.7	159.3	0	0	0	108.8	V116 L123	V116-L118 HydrophobicContact CG1-CD1 3.82Å; V116-L118 HydrophobicContact CG1-CG 3.74Å; V116-L118 PolarHBondContact O-N 3.41Å; L118-L123 HydrophobicContact CB-CD1 4.29Å; L118-L123 HydrophobicContact CD1-CD1 3.98Å
119	E	44.2	Very low	47.5	Very low	131 Å²	131	113 Å²	113	61%	0.612	57%	0.566	S	S	*	*			trans	-59.3	129.6	171.1	-70.6	-168.3	139.7	0	0	109.2	K117 D121 I122	K117-E119 PolarHBondContact O-N 2.74Å; E119-D121 PolarHBondContact O-N 3.33Å; E119-D121 VanDerWaalsContact O-N 3.08Å; E119-I122 HydrophobicContact CB-CD1 4.34Å; E119-I122 HydrophobicContact CB-CG1 4.35Å; E119-I122 PolarHBondContact O-N 2.76Å; E119-I122 VanDerWaalsContact O-N 3.11Å
120	P	48.3	Very low	46.8	Very low	104 Å²	104	116.8 Å²	116.8	68%	0.675	58%	0.582	S	S	*	*	H	α-helix	trans	-53.3	-35.8	-176.9	-29.1	35.7	0	0	0	113.2	I122 L123 L124	P120-I122 VanDerWaalsContact C-N 3.31Å; P120-I122 PolarHBondContact O-N 2.95Å; P120-L123 PolarHBondContact O-N 3.24Å; P120-L124 VanDerWaalsContact O-CB 3.26Å; P120-L124 WeakPolarHBondContact O-CB 3.32Å; P120-L124 PolarHBondContact O-N 2.89Å
121	D	45.4	Very low	45.9	Very low	105 Å²	105	115.4 Å²	115.4	56%	0.561	59%	0.585	S	S	*	*	H	α-helix	trans	-67.1	-26.7	-176	-70	-2.6	0	0	0	113.7	E119 R125	E119-D121 PolarHBondContact O-N 3.33Å; E119-D121 VanDerWaalsContact O-N 3.08Å; D121-R125 VanDerWaalsContact O-CB 3.27Å; D121-R125 WeakPolarHBondContact O-CB 3.48Å; D121-R125 WeakPolarHBondContact O-CG 3.4Å; D121-R125 PolarHBondContact O-N 3.43Å
122	I	49.7	Very low	45.3	Very low	99 Å²	99	116.8 Å²	116.8	51%	0.508	59%	0.59	S	S	.	*	H	α-helix	trans	-74.1	-45.5	176.9	-59.9	177.5	0	0	0	109.9	E119 P120 L124 A126	E119-I122 HydrophobicContact CB-CD1 4.34Å; E119-I122 HydrophobicContact CB-CG1 4.35Å; E119-I122 PolarHBondContact O-N 2.76Å; E119-I122 VanDerWaalsContact O-N 3.11Å; P120-I122 VanDerWaalsContact C-N 3.31Å; P120-I122 PolarHBondContact O-N 2.95Å; I122-L124 VanDerWaalsContact C-N 3.34Å; I122-A126 VanDerWaalsContact O-CB 3.26Å; I122-A126 WeakPolarHBondContact O-CB 3.44Å; I122-A126 PolarHBondContact O-N 2.74Å
123	L	44.8	Very low	44.7	Very low	102 Å²	102	117 Å²	117	53%	0.534	60%	0.596	S	S	.	*	H	α-helix	trans	-68	-34.2	174.2	-94	169.5	0	0	0	112.2	L118 P120 K127	L118-L123 HydrophobicContact CB-CD1 4.29Å; L118-L123 HydrophobicContact CD1-CD1 3.98Å; P120-L123 PolarHBondContact O-N 3.24Å; L123-K127 WeakPolarHBondContact O-CB 3.29Å; L123-K127 PolarHBondContact O-N 3.35Å
124	L	48.8	Very low	44.3	Very low	92 Å²	92	119 Å²	119	48%	0.482	60%	0.599	S	S	.	*	H	α-helix	trans	-71.2	-41.7	177.4	-164.9	69.3	0	0	0	111.6	P120 I122 K127 Q128	P120-L124 VanDerWaalsContact O-CB 3.26Å; P120-L124 WeakPolarHBondContact O-CB 3.32Å; P120-L124 PolarHBondContact O-N 2.89Å; I122-L124 VanDerWaalsContact C-N 3.34Å; L124-K127 PolarHBondContact O-N 2.91Å; L124-Q128 WeakPolarHBondContact O-CB 3.49Å; L124-Q128 VanDerWaalsContact O-CG 3.32Å; L124-Q128 WeakPolarHBondContact O-CG 3.26Å; L124-Q128 PolarHBondContact O-N 3.49Å
125	R	43.5	Very low	43.9	Very low	171 Å²	171	114.7 Å²	114.7	65%	0.645	58%	0.584	S	S	*	*	H	α-helix	trans	-64.2	-47.6	170.6	-79.6	-178.7	176.4	162.4	2.5	111.8	D121 K127 Q128 D129	D121-R125 VanDerWaalsContact O-CB 3.27Å; D121-R125 WeakPolarHBondContact O-CB 3.48Å; D121-R125 WeakPolarHBondContact O-CG 3.4Å; D121-R125 PolarHBondContact O-N 3.43Å; R125-K127 VanDerWaalsContact C-N 3.27Å; R125-K127 PolarHBondContact O-N 3.39Å; R125-Q128 CarbonylContact O-C 3.55Å; R125-Q128 PolarHBondContact O-N 3Å; R125-D129 WeakPolarHBondContact O-CB 3.13Å; R125-D129 PolarHBondContact O-N 2.99Å
126	A	45.1	Very low	44.1	Very low	57 Å²	57	114.2 Å²	114.2	47%	0.471	58%	0.582	S	S	.	*	H	α-helix	trans	-54.7	-44.3	176.4	0	0	0	0	0	111.6	I122 F130	I122-A126 VanDerWaalsContact O-CB 3.26Å; I122-A126 WeakPolarHBondContact O-CB 3.44Å; I122-A126 PolarHBondContact O-N 2.74Å; A126-F130 WeakPolarHBondContact O-CB 3.33Å; A126-F130 PolarHBondContact O-N 2.73Å; A126-F130 VanDerWaalsContact O-N 3.1Å
127	K	43	Very low	44.1	Very low	146 Å²	146	113.5 Å²	113.5	64%	0.635	58%	0.58	S	S	*	*	H	α-helix	trans	-62.6	-48.9	171.4	-96.8	-173.8	165.1	179.3	0	113	L123 L124 R125 D129 L131	L123-K127 WeakPolarHBondContact O-CB 3.29Å; L123-K127 PolarHBondContact O-N 3.35Å; L124-K127 PolarHBondContact O-N 2.91Å; R125-K127 VanDerWaalsContact C-N 3.27Å; R125-K127 PolarHBondContact O-N 3.39Å; K127-D129 VanDerWaalsContact C-N 3.33Å; K127-D129 PolarHBondContact O-N 3.08Å; K127-L131 VanDerWaalsContact O-CB 3.25Å; K127-L131 WeakPolarHBondContact O-CB 3.28Å; K127-L131 WeakPolarHBondContact O-CD1 3.41Å; K127-L131 VanDerWaalsContact O-CG 3.3Å; K127-L131 WeakPolarHBondContact O-CG 3.21Å; K127-L131 PolarHBondContact O-N 3.32Å
128	Q	44.2	Very low	44.2	Very low	99 Å²	99	108.7 Å²	108.7	46%	0.463	56%	0.563	S	S	.	*	H	α-helix	trans	-67.1	-30.7	-176.9	-77.9	-176.8	-2.5	0	0	113.4	L124 R125 K132	L124-Q128 WeakPolarHBondContact O-CB 3.49Å; L124-Q128 VanDerWaalsContact O-CG 3.32Å; L124-Q128 WeakPolarHBondContact O-CG 3.26Å; L124-Q128 PolarHBondContact O-N 3.49Å; R125-Q128 CarbonylContact O-C 3.55Å; R125-Q128 PolarHBondContact O-N 3Å; Q128-K132 WeakPolarHBondContact O-CD 3.45Å; Q128-K132 VanDerWaalsContact O-CE 3.31Å; Q128-K132 WeakPolarHBondContact O-CE 3.36Å; Q128-K132 WeakPolarHBondContact O-CG 3.38Å; Q128-K132 PolarHBondContact O-N 3.04Å
129	D	40.8	Very low	44.4	Very low	81 Å²	81	109.2 Å²	109.2	43%	0.433	57%	0.566	S	S	.	*	H	α-helix	trans	-85.5	-32	-179.5	-64	-32.7	0	0	0	111.5	R125 K127 K132 T133	R125-D129 WeakPolarHBondContact O-CB 3.13Å; R125-D129 PolarHBondContact O-N 2.99Å; K127-D129 VanDerWaalsContact C-N 3.33Å; K127-D129 PolarHBondContact O-N 3.08Å; D129-K132 PolarHBondContact O-N 3.33Å; D129-K132 IonicContact OD1-NZ 3.9Å; D129-K132 PolarHBondContact OD1-NZ 3.46Å; D129-T133 PolarHBondContact O-OG1 2.82Å; D129-T133 VanDerWaalsContact O-OG1 3.07Å
130	F	40.3	Very low	44.4	Very low	170 Å²	170	108.8 Å²	108.8	75%	0.746	56%	0.564	S	S	*	*	H	α-helix	trans	-62.8	-45.9	164.1	-123.4	-93.8	0	0	0	111	A126 K132 T133	A126-F130 WeakPolarHBondContact O-CB 3.33Å; A126-F130 PolarHBondContact O-N 2.73Å; A126-F130 VanDerWaalsContact O-N 3.1Å; F130-K132 PolarHBondContact O-N 3.06Å; F130-K132 VanDerWaalsContact O-N 3.15Å; F130-T133 WeakPolarHBondContact O-CB 3.21Å; F130-T133 PolarHBondContact O-N 3.17Å; F130-T133 PolarHBondContact O-OG1 3.39Å
131	L	40.6	Very low	44.3	Very low	128 Å²	128	108 Å²	108	67%	0.67	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.2	-8.9	177.1	-78	164.7	0	0	0	114.8	K127	K127-L131 VanDerWaalsContact O-CB 3.25Å; K127-L131 WeakPolarHBondContact O-CB 3.28Å; K127-L131 WeakPolarHBondContact O-CD1 3.41Å; K127-L131 VanDerWaalsContact O-CG 3.3Å; K127-L131 WeakPolarHBondContact O-CG 3.21Å; K127-L131 PolarHBondContact O-N 3.32Å
132	K	37.9	Very low	44.4	Very low	133 Å²	133	112 Å²	112	58%	0.578	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.6	-10.9	169.3	-75	163.2	-155.8	162.9	0	113.1	Q128 D129 F130	Q128-K132 WeakPolarHBondContact O-CD 3.45Å; Q128-K132 VanDerWaalsContact O-CE 3.31Å; Q128-K132 WeakPolarHBondContact O-CE 3.36Å; Q128-K132 WeakPolarHBondContact O-CG 3.38Å; Q128-K132 PolarHBondContact O-N 3.04Å; D129-K132 PolarHBondContact O-N 3.33Å; D129-K132 IonicContact OD1-NZ 3.9Å; D129-K132 PolarHBondContact OD1-NZ 3.46Å; F130-K132 PolarHBondContact O-N 3.06Å; F130-K132 VanDerWaalsContact O-N 3.15Å
133	T	38.1	Very low	44.3	Very low	100 Å²	100	114.3 Å²	114.3	61%	0.613	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.1	-35.3	-177.1	-52.1	0	0	0	0	111	D129 F130 S135	D129-T133 PolarHBondContact O-OG1 2.82Å; D129-T133 VanDerWaalsContact O-OG1 3.07Å; F130-T133 WeakPolarHBondContact O-CB 3.21Å; F130-T133 PolarHBondContact O-N 3.17Å; F130-T133 PolarHBondContact O-OG1 3.39Å; T133-S135 PolarHBondContact O-N 2.83Å
134	D	45.6	Very low	44.1	Very low	140 Å²	140	117 Å²	117	75%	0.749	58%	0.578	S	S	*	*	S	Bend	trans	-78.5	80.2	170.5	-64.9	-21.3	0	0	0	110.4
135	S	41.4	Very low	43.6	Very low	50 Å²	50	120 Å²	120	35%	0.35	59%	0.59	S	S	.	*			trans	-81.5	153.6	-179.4	74	0	0	0	0	113.1	T133 S137 D138	T133-S135 PolarHBondContact O-N 2.83Å; S135-S137 PolarHBondContact O-N 3.48Å; S135-S137 WeakPolarHBondContact OG-CB 3.34Å; S135-S137 PolarHBondContact OG-OG 2.97Å; S135-D138 PolarHBondContact O-N 3.03Å
136	D	46.5	Very low	43.5	Very low	122 Å²	122	114.9 Å²	114.9	65%	0.652	59%	0.59	S	S	*	*	H	α-helix	trans	-51.2	-22.1	176.5	-82.9	-64.9	0	0	0	114.3	D138 L139 Q140	D136-D138 VanDerWaalsContact C-N 3.33Å; D136-D138 PolarHBondContact O-N 3.23Å; D136-L139 PolarHBondContact O-N 3.34Å; D136-Q140 PolarHBondContact O-N 3.35Å; D136-Q140 VanDerWaalsContact O-N 3.12Å
137	S	46.3	Very low	43.2	Very low	68 Å²	68	121.1 Å²	121.1	48%	0.476	61%	0.61	S	S	.	*	H	α-helix	trans	-49.9	-48.1	176.9	-36.2	0	0	0	0	112.9	S135 L139 Q140 L141	S135-S137 PolarHBondContact O-N 3.48Å; S135-S137 WeakPolarHBondContact OG-CB 3.34Å; S135-S137 PolarHBondContact OG-OG 2.97Å; S137-L139 VanDerWaalsContact C-N 3.34Å; S137-Q140 PolarHBondContact O-N 3.18Å; S137-L141 PolarHBondContact O-N 2.63Å; S137-L141 VanDerWaalsContact O-N 3.11Å
138	D	48.7	Very low	43.1	Very low	88 Å²	88	116.9 Å²	116.9	47%	0.471	61%	0.607	S	S	.	*	H	α-helix	trans	-75.3	-29	-175.7	-63.5	-43.6	0	0	0	111.4	S135 D136 Q140 L141 Y142	S135-D138 PolarHBondContact O-N 3.03Å; D136-D138 VanDerWaalsContact C-N 3.33Å; D136-D138 PolarHBondContact O-N 3.23Å; D138-Q140 VanDerWaalsContact C-N 3.27Å; D138-Q140 PolarHBondContact O-N 3.21Å; D138-L141 PolarHBondContact O-N 2.91Å; D138-Y142 PolarHBondContact O-N 3.33Å
139	L	48.6	Very low	42.7	Very low	107 Å²	107	121.7 Å²	121.7	56%	0.56	63%	0.63	S	S	*	*	H	α-helix	trans	-72.5	-20.3	174.4	-146.6	84.1	0	0	0	112.9	D136 S137 K143	D136-L139 PolarHBondContact O-N 3.34Å; S137-L139 VanDerWaalsContact C-N 3.34Å; L139-K143 WeakPolarHBondContact O-CG 3.42Å
140	Q	45.4	Very low	42.5	Very low	122 Å²	122	121.2 Å²	121.2	57%	0.57	64%	0.644	S	S	*	*	H	α-helix	trans	-83.2	-45.2	171.3	-68.5	-179.8	14	0	0	111	D136 S137 D138 Y142 K143 E144	D136-Q140 PolarHBondContact O-N 3.35Å; D136-Q140 VanDerWaalsContact O-N 3.12Å; S137-Q140 PolarHBondContact O-N 3.18Å; D138-Q140 VanDerWaalsContact C-N 3.27Å; D138-Q140 PolarHBondContact O-N 3.21Å; Q140-Y142 VanDerWaalsContact C-N 3.26Å; Q140-Y142 PolarHBondContact O-N 3.02Å; Q140-K143 WeakPolarHBondContact O-CB 3.4Å; Q140-K143 PolarHBondContact O-N 2.79Å; Q140-E144 PolarHBondContact O-N 3.41Å
141	L	45.6	Very low	42.5	Very low	89 Å²	89	119.3 Å²	119.3	47%	0.466	64%	0.642	S	S	.	*	H	α-helix	trans	-54.6	-40.2	173.2	-85.9	162.7	0	0	0	112.8	S137 D138 K143 Q145	S137-L141 PolarHBondContact O-N 2.63Å; S137-L141 VanDerWaalsContact O-N 3.11Å; D138-L141 PolarHBondContact O-N 2.91Å; L141-K143 VanDerWaalsContact C-N 3.31Å; L141-K143 PolarHBondContact O-N 2.72Å; L141-Q145 WeakPolarHBondContact O-CG 3.3Å; L141-Q145 PolarHBondContact O-N 2.82Å
142	Y	48.4	Very low	42.2	Very low	189 Å²	189	123.9 Å²	123.9	74%	0.741	65%	0.65	S	S	*	*	H	α-helix	trans	-67.9	-24.6	175	-101.6	-83.4	0	0	0	114.5	D138 Q140	D138-Y142 PolarHBondContact O-N 3.33Å; Q140-Y142 VanDerWaalsContact C-N 3.26Å; Q140-Y142 PolarHBondContact O-N 3.02Å
143	K	45.9	Very low	41.8	Very low	146 Å²	146	120.4 Å²	120.4	64%	0.635	65%	0.652	S	S	*	*	H	α-helix	trans	-81	-41.2	176.2	-76.6	173.4	179.1	171.1	0	111.7	L139 Q140 L141 Q145 G146	L139-K143 WeakPolarHBondContact O-CG 3.42Å; Q140-K143 WeakPolarHBondContact O-CB 3.4Å; Q140-K143 PolarHBondContact O-N 2.79Å; L141-K143 VanDerWaalsContact C-N 3.31Å; L141-K143 PolarHBondContact O-N 2.72Å; K143-Q145 PolarHBondContact O-N 3.45Å; K143-G146 PolarHBondContact O-N 3.06Å
144	E	41.2	Very low	41.4	Very low	159 Å²	159	121.8 Å²	121.8	74%	0.743	66%	0.655	S	S	*	*	H	α-helix	trans	-66.1	-26.1	179.2	-66.2	-173.9	158.4	0	0	112.7	Q140 G146	Q140-E144 PolarHBondContact O-N 3.41Å; E144-G146 VanDerWaalsContact C-N 3.33Å
145	Q	39.4	Very low	40.7	Very low	155 Å²	155	124.6 Å²	124.6	72%	0.724	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	-9.2	172.5	-66.5	-176.8	24.6	0	0	114.3	L141 K143	L141-Q145 WeakPolarHBondContact O-CG 3.3Å; L141-Q145 PolarHBondContact O-N 2.82Å; K143-Q145 PolarHBondContact O-N 3.45Å
146	G	40.1	Very low	40.3	Very low	63 Å²	63	130.6 Å²	130.6	65%	0.649	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	-26.8	179.1	0	0	0	0	0	114.4	K143 E144 G148	K143-G146 PolarHBondContact O-N 3.06Å; E144-G146 VanDerWaalsContact C-N 3.33Å; G146-G148 PolarHBondContact O-N 3.34Å
147	E	39.9	Very low	39.5	Very low	189 Å²	189	134.2 Å²	134.2	88%	0.883	68%	0.682	S	S	*	*	S	Bend	trans	-95.1	59.3	-173	-64.2	-160.4	158.9	0	0	113.7
148	G	41	Very low	39.2	Very low	56 Å²	56	135.7 Å²	135.7	58%	0.577	69%	0.685	S	S	*	*	S	Bend	trans	146.7	70.9	155.4	0	0	0	0	0	119.1	G146	G146-G148 PolarHBondContact O-N 3.34Å
149	Q	35.9	Very low	38.9	Very low	201 Å²	201	135.7 Å²	135.7	94%	0.939	69%	0.688	S	S	*	*			trans	-152.9	158.4	147.2	-120.4	151.7	84.8	0	0	113
150	G	35.3	Very low	38.4	Very low	71 Å²	71	135.2 Å²	135.2	73%	0.732	69%	0.689	S	S	*	*			trans	-74	134.4	-163.6	0	0	0	0	0	115	R152	G150-R152 PolarHBondContact O-N 3.28Å
151	D	41.5	Very low	38.2	Very low	130 Å²	130	134.5 Å²	134.5	70%	0.695	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.3	118.5	175.5	174.4	35.7	0	0	0	112.6
152	R	34.1	Very low	38.6	Very low	223 Å²	223	132.7 Å²	132.7	84%	0.842	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	166.6	-22.8	149.2	-95.1	159.5	-173.1	-109.3	-4.9	113.8	G150	G150-R152 PolarHBondContact O-N 3.28Å
153	G	28.6	Very low	39.4	Very low	61 Å²	61	128.4 Å²	128.4	63%	0.629	66%	0.66	S	S	*	*	S	Bend	trans	-94.2	-9.3	-166.6	0	0	0	0	0	117.9
154	L	29.4	Very low	40.9	Very low	129 Å²	129	127.6 Å²	127.6	68%	0.675	66%	0.659	S	S	*	*	S	Bend	trans	-86	-33.7	-171.7	-74.9	165.2	0	0	0	114	E156 R157	L154-E156 PolarHBondContact O-N 2.89Å; L154-R157 PolarHBondContact O-N 3.22Å
155	W	32.5	Very low	43.1	Very low	199 Å²	199	120.7 Å²	120.7	75%	0.754	63%	0.626	S	S	*	*	H	α-helix	trans	-57.4	-25.1	-172	-63.3	93.3	0	0	0	115.1	V159	W155-V159 WeakPolarHBondContact O-CG2 2.97Å
156	E	31.6	Very low	45.5	Very low	175 Å²	175	118.4 Å²	118.4	82%	0.818	62%	0.616	S	S	*	*	H	α-helix	trans	-79.1	-19.9	176.6	-66.1	-171.3	145.7	0	0	113.7	L154	L154-E156 PolarHBondContact O-N 2.89Å
157	R	30.8	Very low	47.7	Very low	199 Å²	199	121.2 Å²	121.2	75%	0.751	61%	0.607	S	S	*	*	H	α-helix	trans	-86.7	-40.3	179.8	-82.2	-173.5	167.6	-170.1	-3.7	113.3	L154 V159 V160	L154-R157 PolarHBondContact O-N 3.22Å; R157-V159 VanDerWaalsContact C-N 3.25Å; R157-V159 PolarHBondContact O-N 2.92Å; R157-V160 WeakPolarHBondContact O-CB 3.34Å; R157-V160 PolarHBondContact O-N 2.91Å
158	D	40	Very low	49.7	Very low	98 Å²	98	114.9 Å²	114.9	52%	0.524	58%	0.581	S	S	.	*	H	α-helix	trans	-63.5	-31.9	-177.9	-71.3	-43.8	0	0	0	112.8	V160 L161	D158-V160 PolarHBondContact O-N 3.12Å; D158-L161 PolarHBondContact O-N 2.66Å
159	V	41.1	Very low	51.4	Low	88 Å²	88	119.8 Å²	119.8	53%	0.533	59%	0.592	S	S	.	*	H	α-helix	trans	-63.5	-25	175.8	177.2	0	0	0	0	112.6	W155 R157	W155-V159 WeakPolarHBondContact O-CG2 2.97Å; R157-V159 VanDerWaalsContact C-N 3.25Å; R157-V159 PolarHBondContact O-N 2.92Å
160	V	39.8	Very low	53.1	Low	98 Å²	98	114.1 Å²	114.1	59%	0.594	57%	0.568	S	S	*	*	H	α-helix	trans	-73.3	-37.3	178.6	-175.6	0	0	0	0	111.3	R157 D158 E162 R163	R157-V160 WeakPolarHBondContact O-CB 3.34Å; R157-V160 PolarHBondContact O-N 2.91Å; D158-V160 PolarHBondContact O-N 3.12Å; V160-E162 VanDerWaalsContact C-N 3.28Å; V160-E162 PolarHBondContact O-N 2.94Å; V160-R163 PolarHBondContact O-N 2.86Å
161	L	40.7	Very low	54.7	Low	106 Å²	106	116.4 Å²	116.4	56%	0.555	57%	0.572	S	S	*	*	H	α-helix	trans	-67.7	-24.8	-177.9	-74	164.9	0	0	0	113.2	D158 R163 E164	D158-L161 PolarHBondContact O-N 2.66Å; L161-R163 PolarHBondContact O-N 3.41Å; L161-R163 VanDerWaalsContact O-N 3.17Å; L161-E164 PolarHBondContact O-N 2.96Å
162	E	54.2	Low	55.8	Low	51 Å²	51	112.4 Å²	112.4	24%	0.238	56%	0.562	C	S	.	*	T	Hydrogen-bonded Turn	trans	-72.2	-8.2	-177.2	-50.2	-139	120.1	0	0	113.6	V160 K349 I784	V160-E162 VanDerWaalsContact C-N 3.28Å; V160-E162 PolarHBondContact O-N 2.94Å; E162-K349 WeakPolarHBondContact OE1-CD 3.35Å; E162-K349 WeakPolarHBondContact OE1-CE 3.25Å; E162-K349 IonicContact OE1-NZ 3.45Å; E162-K349 PolarHBondContact OE1-NZ 2.85Å; E162-I784 WeakPolarHBondContact O-CG1 3.37Å
163	R	63.9	Low	57	Low	100 Å²	100	104.1 Å²	104.1	38%	0.377	53%	0.532	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92	-2.7	176.9	-63.2	-179.3	170.7	-170.1	-4.1	113.6	V160 L161 F165 D783	V160-R163 PolarHBondContact O-N 2.86Å; L161-R163 PolarHBondContact O-N 3.41Å; L161-R163 VanDerWaalsContact O-N 3.17Å; R163-F165 PolarHBondContact O-N 3.22Å; R163-D783 IonicContact NE-OD2 3.69Å; R163-D783 IonicContact NH2-OD2 3.18Å
164	E	77.4	Confident	58.2	Low	129 Å²	129	108.1 Å²	108.1	60%	0.603	54%	0.535	S	S	*	.			trans	-92.4	82.3	-176.9	-63.6	-158.3	156.1	0	0	113.6	L161 K342	L161-E164 PolarHBondContact O-N 2.96Å; E164-K342 PolarHBondContact O-NZ 3.04Å
165	F	88.8	Confident	59.4	Low	13 Å²	13	110 Å²	110	6%	0.057	54%	0.538	C	S	.	.	P	Polyproline II helix	trans	-102.9	157.6	170.5	70.1	-87.2	0	0	0	112.7	R163 R167 H335 N339 I784	R163-F165 PolarHBondContact O-N 3.22Å; F165-R167 HydrophobicContact CD2-CG 4.04Å; F165-R167 VanDerWaalsContact CE1-CZ 3.5Å; F165-R167 HydrophobicContact CE2-CG 3.6Å; F165-R167 HydrophobicContact CZ-CG 4.02Å; F165-R167 PolarHBondContact O-N 3.06Å; F165-R167 PolarHBondContact O-NH1 3.17Å; F165-H335 AromaticContact CD2-CE1 4Å; F165-N339 WeakPolarHBondContact CB-OD1 3.43Å; F165-I784 HydrophobicContact CB-CB 4.28Å; F165-I784 HydrophobicContact CB-CD1 4.29Å; F165-I784 HydrophobicContact CB-CG1 4.06Å; F165-I784 HydrophobicContact CB-CG2 3.55Å; F165-I784 HydrophobicContact CD1-CB 4.44Å; F165-I784 HydrophobicContact CD1-CG1 4.47Å; F165-I784 HydrophobicContact CD1-CG2 4.2Å; F165-I784 HydrophobicContact CD2-CG2 4.46Å; F165-I784 HydrophobicContact CG-CG2 3.86Å
166	Q	88.3	Confident	60.6	Low	107 Å²	107	101.6 Å²	101.6	50%	0.5	51%	0.509	S	S	.	.	P	Polyproline II helix	trans	-73.6	120	178.2	-72	-177.3	-24.4	0	0	109.7	L338 N339	Q166-L338 HydrophobicContact CB-CB 4.19Å; Q166-L338 HydrophobicContact CB-CD1 4.49Å; Q166-N339 PolarHBondContact N-OD1 3.09Å; Q166-N339 PolarHBondContact O-ND2 3.21Å
167	R	87.3	Confident	62	Low	122 Å²	122	96.2 Å²	96.2	46%	0.46	50%	0.5	S	S	.	.	P	Polyproline II helix	trans	-101.4	137.5	-179.6	-69.5	172.3	176.2	84.6	-6.5	110.3	F165 E791	F165-R167 HydrophobicContact CD2-CG 4.04Å; F165-R167 VanDerWaalsContact CE1-CZ 3.5Å; F165-R167 HydrophobicContact CE2-CG 3.6Å; F165-R167 HydrophobicContact CZ-CG 4.02Å; F165-R167 PolarHBondContact O-N 3.06Å; F165-R167 PolarHBondContact O-NH1 3.17Å; R167-E791 WeakPolarHBondContact CD-OE2 3.35Å; R167-E791 IonicContact CZ-OE1 3.5Å; R167-E791 IonicContact CZ-OE2 2.78Å; R167-E791 IonicContact NE-OE1 3.49Å; R167-E791 PolarHBondContact NE-OE1 3.34Å; R167-E791 IonicContact NE-OE2 3.58Å; R167-E791 PolarHBondContact NE-OE2 2.77Å; R167-E791 IonicContact NH2-OE1 2.68Å; R167-E791 PolarHBondContact NH2-OE1 3.45Å; R167-E791 IonicContact NH2-OE2 3.53Å
168	V	81.7	Confident	63.7	Low	57 Å²	57	88.7 Å²	88.7	35%	0.345	48%	0.476	S	S	.	.			trans	-98.4	115.2	173.8	-175	0	0	0	0	108.1	I170 M334 L338	V168-I170 HydrophobicContact CG1-CG1 4.18Å; V168-M334 HydrophobicContact CG2-CB 4.46Å; V168-M334 HydrophobicContact CG2-CG 3.7Å; V168-L338 HydrophobicContact CG2-CD1 3.51Å
169	I	76.8	Confident	65.4	Low	159 Å²	159	87.4 Å²	87.4	82%	0.815	47%	0.473	S	S	*	.			trans	-104.2	118.9	173.5	-57	175.8	0	0	0	107.1
170	I	72.6	Confident	67.1	Low	82 Å²	82	87.8 Å²	87.8	42%	0.421	47%	0.468	S	S	.	.			trans	-99.7	118	175.4	-61.6	161.5	0	0	0	107.1	V168 E173 Y327	V168-I170 HydrophobicContact CG1-CG1 4.18Å; I170-E173 HydrophobicContact CB-CG 4.07Å; I170-E173 WeakPolarHBondContact CB-OE1 3.43Å; I170-E173 HydrophobicContact CG2-CG 4.22Å; I170-E173 WeakPolarHBondContact O-CG 3.48Å; I170-Y327 HydrophobicContact CD1-CE2 3.83Å
171	S	68.3	Low	69	Low	119 Å²	119	87.5 Å²	87.5	83%	0.832	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	134.8	179.4	46.9	0	0	0	0	111
172	G	64.4	Low	70.8	Confident	46 Å²	46	85.6 Å²	85.6	47%	0.474	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.7	17.3	178.6	0	0	0	0	0	116	E174 K175	G172-E174 PolarHBondContact O-N 3.2Å; G172-K175 WeakPolarHBondContact O-CA 3.35Å; G172-K175 PolarHBondContact O-N 3.14Å
173	E	58.7	Low	72.2	Confident	48 Å²	48	83.5 Å²	83.5	22%	0.224	45%	0.447	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-30.8	176.8	-78.1	178.2	-179.7	0	0	114.5	I170 K175 C176 Y327	I170-E173 HydrophobicContact CB-CG 4.07Å; I170-E173 WeakPolarHBondContact CB-OE1 3.43Å; I170-E173 HydrophobicContact CG2-CG 4.22Å; I170-E173 WeakPolarHBondContact O-CG 3.48Å; E173-K175 PolarHBondContact O-N 2.97Å; E173-K175 VanDerWaalsContact O-N 3.16Å; E173-C176 PolarHBondContact O-SG 2.82Å; E173-Y327 HydrophobicContact CG-CE2 4.27Å; E173-Y327 WeakPolarHBondContact OE1-CE2 3.5Å; E173-Y327 VanDerWaalsContact OE1-CZ 3.31Å; E173-Y327 PolarHBondContact OE1-OH 2.91Å; E173-Y327 PolarHBondContact OE2-OH 2.86Å
174	E	54.3	Low	73.3	Confident	145 Å²	145	79.7 Å²	79.7	68%	0.678	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.9	-34.6	169.5	-64.3	161.2	-149.5	0	0	112.3	G172 C176 L183	G172-E174 PolarHBondContact O-N 3.2Å; E174-C176 PolarHBondContact O-N 3.11Å; E174-L183 WeakPolarHBondContact O-CD2 3.45Å
175	K	54.8	Low	73.7	Confident	170 Å²	170	75.5 Å²	75.5	74%	0.739	42%	0.416	S	S	*	.	S	Bend	trans	-95.9	74.7	179	-61	179.8	-175.1	177.4	0	109	G172 E173 G177	G172-K175 WeakPolarHBondContact O-CA 3.35Å; G172-K175 PolarHBondContact O-N 3.14Å; E173-K175 PolarHBondContact O-N 2.97Å; E173-K175 VanDerWaalsContact O-N 3.16Å; K175-G177 PolarHBondContact O-N 3.42Å
176	C	57.1	Low	73.8	Confident	22 Å²	22	74.9 Å²	74.9	15%	0.149	41%	0.413	C	S	.	.			trans	-61.7	23.9	-179.1	-78.9	0	0	0	0	116.4	E173 E174 V178 F320 R323 R324	E173-C176 PolarHBondContact O-SG 2.82Å; E174-C176 PolarHBondContact O-N 3.11Å; C176-V178 HydrophobicContact CB-CG2 3.92Å; C176-V178 PolarHBondContact O-N 2.91Å; C176-F320 HydrophobicContact CB-CE2 4.47Å; C176-R323 PolarHBondContact O-NH1 3.46Å; C176-R324 PolarHBondContact SG-NH1 2.96Å
177	G	60.6	Low	73.9	Confident	61 Å²	61	69.8 Å²	69.8	63%	0.629	39%	0.39	S	S	*	.	S	Bend	trans	65	22.1	-174	0	0	0	0	0	113.4	K175 R323	K175-G177 PolarHBondContact O-N 3.42Å; G177-R323 PolarHBondContact O-NH1 3.34Å
178	V	67	Low	74.1	Confident	41 Å²	41	64.9 Å²	64.9	25%	0.248	37%	0.372	C	S	.	.	S	Bend	trans	-132.6	157.5	180	-64.5	0	0	0	0	109.3	C176 D182 L183	C176-V178 HydrophobicContact CB-CG2 3.92Å; C176-V178 PolarHBondContact O-N 2.91Å; V178-D182 HydrophobicContact CB-CB 4.33Å; V178-L183 HydrophobicContact CG2-CB 4.23Å
179	P	75.6	Confident	74.6	Confident	71 Å²	71	62.2 Å²	62.2	46%	0.461	36%	0.356	S	S	.	.			trans	-54.8	151.5	167.3	-23.9	34	0	0	0	112.5	T181 D182 L183	P179-T181 VanDerWaalsContact C-N 3.26Å; P179-T181 WeakPolarHBondContact CB-OG1 3.4Å; P179-T181 PolarHBondContact O-N 2.65Å; P179-D182 HydrophobicContact CB-CB 4.44Å; P179-D182 WeakPolarHBondContact CD-OD2 3.49Å; P179-D182 PolarHBondContact O-N 3.27Å; P179-D182 VanDerWaalsContact O-N 3.16Å; P179-L183 PolarHBondContact O-N 3.17Å; P179-L183 VanDerWaalsContact O-N 3.14Å
180	F	77.3	Confident	75.5	Confident	96 Å²	96	54.7 Å²	54.7	42%	0.421	32%	0.317	S	S	.	.	H	α-helix	trans	-62.8	-34	176.5	179.9	-107.5	0	0	0	112.3	D182 L183 L184	F180-D182 VanDerWaalsContact C-N 3.31Å; F180-D182 PolarHBondContact O-N 2.89Å; F180-L183 HydrophobicContact CD2-CD2 4.36Å; F180-L183 PolarHBondContact O-N 3.45Å; F180-L184 HydrophobicContact CE1-CD2 4.5Å; F180-L184 VanDerWaalsContact O-CB 3.32Å; F180-L184 WeakPolarHBondContact O-CB 3.27Å; F180-L184 PolarHBondContact O-N 3.33Å
181	T	78.5	Confident	76.6	Confident	92 Å²	92	50.8 Å²	50.8	56%	0.564	30%	0.297	S	S	*	.	H	α-helix	trans	-55.1	-45.8	171.9	46	0	0	0	0	112.2	P179 L184 D185	P179-T181 VanDerWaalsContact C-N 3.26Å; P179-T181 WeakPolarHBondContact CB-OG1 3.4Å; P179-T181 PolarHBondContact O-N 2.65Å; T181-L184 PolarHBondContact O-N 3.15Å; T181-D185 PolarHBondContact O-N 3.3Å
182	D	79.8	Confident	77.7	Confident	66 Å²	66	46.8 Å²	46.8	35%	0.353	26%	0.264	S	S	.	.	H	α-helix	trans	-74.6	-33.8	-174.7	-56.7	20.9	0	0	0	110.6	V178 P179 F180 A186	V178-D182 HydrophobicContact CB-CB 4.33Å; P179-D182 HydrophobicContact CB-CB 4.44Å; P179-D182 WeakPolarHBondContact CD-OD2 3.49Å; P179-D182 PolarHBondContact O-N 3.27Å; P179-D182 VanDerWaalsContact O-N 3.16Å; F180-D182 VanDerWaalsContact C-N 3.31Å; F180-D182 PolarHBondContact O-N 2.89Å; D182-A186 VanDerWaalsContact O-CB 3.23Å; D182-A186 WeakPolarHBondContact O-CB 3.49Å; D182-A186 PolarHBondContact O-N 3.39Å; D182-A186 VanDerWaalsContact O-N 3.15Å
183	L	83.4	Confident	79.3	Confident	7 Å²	7	44.6 Å²	44.6	4%	0.037	24%	0.241	C	C	.	.	H	α-helix	trans	-64.5	-45.9	169.5	175.5	64.2	0	0	0	111.3	E174 V178 P179 F180 A186 A187 F320 A803	E174-L183 WeakPolarHBondContact O-CD2 3.45Å; V178-L183 HydrophobicContact CG2-CB 4.23Å; P179-L183 PolarHBondContact O-N 3.17Å; P179-L183 VanDerWaalsContact O-N 3.14Å; F180-L183 HydrophobicContact CD2-CD2 4.36Å; F180-L183 PolarHBondContact O-N 3.45Å; L183-A186 PolarHBondContact O-N 3.24Å; L183-A187 WeakPolarHBondContact O-CB 3.48Å; L183-A187 PolarHBondContact O-N 3.42Å; L183-F320 HydrophobicContact CD1-CD2 4.19Å; L183-F320 HydrophobicContact CD1-CE2 3.43Å; L183-F320 VanDerWaalsContact CD1-CE2 3.43Å; L183-F320 HydrophobicContact CD1-CZ 3.9Å; L183-A803 HydrophobicContact CG-CB 4.34Å
184	L	86.4	Confident	81.1	Confident	20 Å²	20	42.3 Å²	42.3	11%	0.105	23%	0.23	C	C	.	.	H	α-helix	trans	-64	-48.1	-179.6	176.4	61.6	0	0	0	111.8	F180 T181 A186 A187 K188 A803 E807	F180-L184 HydrophobicContact CE1-CD2 4.5Å; F180-L184 VanDerWaalsContact O-CB 3.32Å; F180-L184 WeakPolarHBondContact O-CB 3.27Å; F180-L184 PolarHBondContact O-N 3.33Å; T181-L184 PolarHBondContact O-N 3.15Å; L184-A186 VanDerWaalsContact C-N 3.3Å; L184-A186 PolarHBondContact O-N 3.1Å; L184-A187 PolarHBondContact O-N 2.94Å; L184-K188 HydrophobicContact CD1-CG 4.4Å; L184-K188 WeakPolarHBondContact O-CG 3.15Å; L184-K188 PolarHBondContact O-N 3.18Å; L184-A803 WeakPolarHBondContact CD1-O 3.28Å; L184-E807 HydrophobicContact CD1-CB 4.07Å; L184-E807 HydrophobicContact CD2-CB 4.12Å; L184-E807 HydrophobicContact CD2-CG 4.18Å
185	D	86.4	Confident	83	Confident	41 Å²	41	35.6 Å²	35.6	22%	0.219	20%	0.199	C	C	.	.	H	α-helix	trans	-64.2	-37.1	178.8	-125.5	30.2	0	0	0	111.2	S63 T181 S189	S63-D185 WeakPolarHBondContact CB-OD2 3.14Å; S63-D185 PolarHBondContact N-OD2 2.93Å; S63-D185 PolarHBondContact OG-OD2 2.87Å; T181-D185 PolarHBondContact O-N 3.3Å; D185-S189 WeakPolarHBondContact O-CB 3.48Å; D185-S189 PolarHBondContact O-N 3.37Å; D185-S189 VanDerWaalsContact O-N 3.14Å; D185-S189 PolarHBondContact O-OG 2.73Å
186	A	90.3	Very high	84.9	Confident	1 Å²	1	27.5 Å²	27.5	1%	0.008	16%	0.164	C	C	.	.	H	α-helix	trans	-70.4	-35.9	172.5	0	0	0	0	0	113.4	D182 L183 L184 S189 V190 I317 F320	D182-A186 VanDerWaalsContact O-CB 3.23Å; D182-A186 WeakPolarHBondContact O-CB 3.49Å; D182-A186 PolarHBondContact O-N 3.39Å; D182-A186 VanDerWaalsContact O-N 3.15Å; L183-A186 PolarHBondContact O-N 3.24Å; L184-A186 VanDerWaalsContact C-N 3.3Å; L184-A186 PolarHBondContact O-N 3.1Å; A186-S189 WeakPolarHBondContact O-CB 3.37Å; A186-S189 PolarHBondContact O-N 3.25Å; A186-V190 WeakPolarHBondContact O-CB 3.38Å; A186-V190 VanDerWaalsContact O-CG2 3.3Å; A186-V190 WeakPolarHBondContact O-CG2 3.25Å; A186-V190 PolarHBondContact O-N 3.1Å; A186-I317 HydrophobicContact CB-CG1 4.13Å; A186-F320 HydrophobicContact CB-CB 4.15Å; A186-F320 HydrophobicContact CB-CD1 3.74Å; A186-F320 HydrophobicContact CB-CE1 4.33Å; A186-F320 HydrophobicContact CB-CG 3.94Å
187	A	91.7	Very high	86.8	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-67.4	-50.8	177.2	0	0	0	0	0	111.5	L183 L184 S189 V190 V191 I800 A803 V804	L183-A187 WeakPolarHBondContact O-CB 3.48Å; L183-A187 PolarHBondContact O-N 3.42Å; L184-A187 PolarHBondContact O-N 2.94Å; A187-S189 VanDerWaalsContact C-N 3.26Å; A187-S189 PolarHBondContact O-N 3.43Å; A187-V190 PolarHBondContact O-N 2.54Å; A187-V191 WeakPolarHBondContact O-CB 3.33Å; A187-V191 VanDerWaalsContact O-CG2 3.28Å; A187-V191 WeakPolarHBondContact O-CG2 3.31Å; A187-V191 PolarHBondContact O-N 3.06Å; A187-I800 HydrophobicContact CB-CB 4.21Å; A187-I800 HydrophobicContact CB-CG2 4.48Å; A187-A803 HydrophobicContact CB-CB 3.7Å; A187-V804 HydrophobicContact CB-CG2 4.07Å
188	K	90.8	Very high	88.4	Confident	19 Å²	19	23.8 Å²	23.8	8%	0.083	13%	0.128	C	C	.	.	H	α-helix	trans	-51.9	-47.3	172.2	-73.1	-179.9	-179.7	-179.9	0	111.7	R61 T62 L184 V191 R192 V804 E807	R61-K188 WeakPolarHBondContact O-CD 3.49Å; T62-K188 HydrophobicContact CG2-CB 4.12Å; L184-K188 HydrophobicContact CD1-CG 4.4Å; L184-K188 WeakPolarHBondContact O-CG 3.15Å; L184-K188 PolarHBondContact O-N 3.18Å; K188-V191 PolarHBondContact O-N 3.2Å; K188-R192 VanDerWaalsContact O-CB 3.26Å; K188-R192 WeakPolarHBondContact O-CB 3.32Å; K188-R192 PolarHBondContact O-N 3.46Å; K188-V804 HydrophobicContact CG-CG2 4.07Å; K188-E807 WeakPolarHBondContact CE-OE2 3.33Å; K188-E807 IonicContact NZ-OE1 2.69Å; K188-E807 PolarHBondContact NZ-OE1 2.79Å; K188-E807 IonicContact NZ-OE2 2.71Å; K188-E807 PolarHBondContact NZ-OE2 3.21Å
189	S	92.4	Very high	89.6	Confident	1 Å²	1	22.6 Å²	22.6	1%	0.007	12%	0.119	C	C	.	.	H	α-helix	trans	-58.2	-49.5	179.1	-78	0	0	0	0	113.4	D185 A186 A187 A193 I317	D185-S189 WeakPolarHBondContact O-CB 3.48Å; D185-S189 PolarHBondContact O-N 3.37Å; D185-S189 VanDerWaalsContact O-N 3.14Å; D185-S189 PolarHBondContact O-OG 2.73Å; A186-S189 WeakPolarHBondContact O-CB 3.37Å; A186-S189 PolarHBondContact O-N 3.25Å; A187-S189 VanDerWaalsContact C-N 3.26Å; A187-S189 PolarHBondContact O-N 3.43Å; S189-A193 PolarHBondContact O-N 2.9Å; S189-A193 VanDerWaalsContact O-N 3.16Å; S189-I317 WeakPolarHBondContact OG-CD1 3.44Å
190	V	95.3	Very high	90.6	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.006	10%	0.097	C	C	.	.	H	α-helix	trans	-68.4	-43.3	177.8	169	0	0	0	0	111.1	A186 A187 R192 A193 L194 Y667 L668 L671 I800	A186-V190 WeakPolarHBondContact O-CB 3.38Å; A186-V190 VanDerWaalsContact O-CG2 3.3Å; A186-V190 WeakPolarHBondContact O-CG2 3.25Å; A186-V190 PolarHBondContact O-N 3.1Å; A187-V190 PolarHBondContact O-N 2.54Å; V190-R192 PolarHBondContact O-N 2.72Å; V190-A193 PolarHBondContact O-N 3.19Å; V190-L194 HydrophobicContact CG1-CD1 4.19Å; V190-L194 WeakPolarHBondContact O-CG 3.2Å; V190-L194 PolarHBondContact O-N 3.24Å; V190-Y667 HydrophobicContact CG1-CE1 4.43Å; V190-Y667 HydrophobicContact CG2-CD1 4.46Å; V190-L668 HydrophobicContact CG1-CD2 3.9Å; V190-L671 HydrophobicContact CG1-CD1 3.39Å; V190-I800 HydrophobicContact CG1-CD1 3.65Å
191	V	94.8	Very high	91.5	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-59.8	-43.2	176.2	165	0	0	0	0	111.5	L60 A187 K188 A193 L194 F195 L216 L219 I800 V804	L60-V191 HydrophobicContact CD1-CG1 4.03Å; L60-V191 HydrophobicContact CD2-CG1 4.13Å; A187-V191 WeakPolarHBondContact O-CB 3.33Å; A187-V191 VanDerWaalsContact O-CG2 3.28Å; A187-V191 WeakPolarHBondContact O-CG2 3.31Å; A187-V191 PolarHBondContact O-N 3.06Å; K188-V191 PolarHBondContact O-N 3.2Å; V191-A193 PolarHBondContact O-N 3.11Å; V191-L194 PolarHBondContact O-N 3.08Å; V191-F195 HydrophobicContact CG1-CD2 3.66Å; V191-F195 HydrophobicContact CG1-CE2 3.52Å; V191-F195 WeakPolarHBondContact O-CD2 3.17Å; V191-F195 PolarHBondContact O-N 2.86Å; V191-L216 HydrophobicContact CG1-CD2 4.16Å; V191-L219 HydrophobicContact CB-CD1 4.48Å; V191-L219 HydrophobicContact CG1-CD1 3.5Å; V191-L219 VanDerWaalsContact CG1-CD1 3.5Å; V191-L219 HydrophobicContact CG2-CD1 4.12Å; V191-I800 HydrophobicContact CG2-CB 4.42Å; V191-I800 HydrophobicContact CG2-CD1 4.11Å; V191-I800 HydrophobicContact CG2-CG1 4.27Å; V191-V804 HydrophobicContact CG2-CG2 4.36Å
192	R	93.1	Very high	92.1	Very high	35 Å²	35	11.5 Å²	11.5	13%	0.132	6%	0.06	C	C	.	.	H	α-helix	trans	-61.2	-43	175.6	-176.2	169.8	172.5	178.5	-10.4	111.9	L60 D65 K188 V190 L194 F195 I196	L60-R192 HydrophobicContact CB-CB 4.21Å; L60-R192 HydrophobicContact CB-CG 4.45Å; L60-R192 HydrophobicContact CD1-CB 3.92Å; L60-R192 HydrophobicContact CD1-CG 4.45Å; L60-R192 PolarHBondContact O-NH1 3.12Å; D65-R192 IonicContact OD1-CZ 2.98Å; D65-R192 VanDerWaalsContact OD1-CZ 3.27Å; D65-R192 IonicContact OD1-NH1 2.83Å; D65-R192 PolarHBondContact OD1-NH1 3.05Å; D65-R192 IonicContact OD1-NH2 2.67Å; D65-R192 PolarHBondContact OD1-NH2 3.26Å; D65-R192 IonicContact OD2-CZ 3.07Å; D65-R192 IonicContact OD2-NH1 3.81Å; D65-R192 PolarHBondContact OD2-NH1 3.2Å; K188-R192 VanDerWaalsContact O-CB 3.26Å; K188-R192 WeakPolarHBondContact O-CB 3.32Å; K188-R192 PolarHBondContact O-N 3.46Å; V190-R192 PolarHBondContact O-N 2.72Å; R192-L194 PolarHBondContact O-N 3.19Å; R192-F195 PolarHBondContact O-N 3.22Å; R192-I196 HydrophobicContact CG-CD1 4.37Å; R192-I196 VanDerWaalsContact O-CG1 3.3Å; R192-I196 WeakPolarHBondContact O-CG1 3.22Å; R192-I196 PolarHBondContact O-N 2.96Å
193	A	96.2	Very high	92.7	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-63.2	-39.1	174.6	0	0	0	0	0	112.8	S189 V190 V191 I196 R197 L308 L311 F647 L668	S189-A193 PolarHBondContact O-N 2.9Å; S189-A193 VanDerWaalsContact O-N 3.16Å; V190-A193 PolarHBondContact O-N 3.19Å; V191-A193 PolarHBondContact O-N 3.11Å; A193-I196 WeakPolarHBondContact O-CB 3.31Å; A193-I196 PolarHBondContact O-N 2.93Å; A193-R197 PolarHBondContact O-N 3.05Å; A193-L308 HydrophobicContact CB-CD2 3.44Å; A193-L308 VanDerWaalsContact CB-CD2 3.44Å; A193-L311 HydrophobicContact CB-CD1 4.17Å; A193-F647 HydrophobicContact CB-CE1 4.29Å; A193-F647 WeakPolarHBondContact O-CE1 3.43Å; A193-L668 HydrophobicContact CB-CD1 3.78Å; A193-L668 HydrophobicContact CB-CD2 3.65Å; A193-L668 HydrophobicContact CB-CG 4.4Å
194	L	96.7	Very high	93.2	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-67	-40.8	175.8	-67.3	171.7	0	0	0	112.3	V190 V191 R192 R197 E198 T212 L216 L668 L671 A672 I800	V190-L194 HydrophobicContact CG1-CD1 4.19Å; V190-L194 WeakPolarHBondContact O-CG 3.2Å; V190-L194 PolarHBondContact O-N 3.24Å; V191-L194 PolarHBondContact O-N 3.08Å; R192-L194 PolarHBondContact O-N 3.19Å; L194-R197 PolarHBondContact O-N 3.13Å; L194-E198 PolarHBondContact O-N 3.38Å; L194-T212 HydrophobicContact CD1-CG2 4.24Å; L194-T212 HydrophobicContact CD2-CG2 4.22Å; L194-L216 HydrophobicContact CB-CD1 4.02Å; L194-L216 HydrophobicContact CB-CD2 4.07Å; L194-L216 HydrophobicContact CD1-CD2 4.49Å; L194-L668 HydrophobicContact CD2-CD2 4.12Å; L194-L668 HydrophobicContact CG-CD2 4.09Å; L194-L671 HydrophobicContact CD1-CB 4.24Å; L194-L671 HydrophobicContact CD1-CD1 4.3Å; L194-L671 HydrophobicContact CD2-CB 4.13Å; L194-A672 HydrophobicContact CD2-CB 3.9Å; L194-I800 HydrophobicContact CD1-CD1 3.94Å
195	F	94.6	Very high	93.5	Very high	4 Å²	4	9.1 Å²	9.1	2%	0.018	5%	0.047	C	C	.	.	H	α-helix	trans	-64.6	-37	172.3	-82.5	-59.6	0	0	0	112.9	F56 L58 L60 V191 R192 E198 K199 L216 L219 L224	F56-F195 HydrophobicContact CD1-CB 3.88Å; F56-F195 HydrophobicContact CE1-CB 3.86Å; L58-F195 HydrophobicContact CD1-CE2 3.91Å; L58-F195 HydrophobicContact CD1-CZ 3.98Å; L60-F195 HydrophobicContact CD1-CD2 3.75Å; L60-F195 HydrophobicContact CD1-CE2 4.15Å; V191-F195 HydrophobicContact CG1-CD2 3.66Å; V191-F195 HydrophobicContact CG1-CE2 3.52Å; V191-F195 WeakPolarHBondContact O-CD2 3.17Å; V191-F195 PolarHBondContact O-N 2.86Å; R192-F195 PolarHBondContact O-N 3.22Å; F195-E198 PolarHBondContact O-N 3.33Å; F195-K199 PolarHBondContact O-N 2.84Å; F195-K199 VanDerWaalsContact O-N 3.08Å; F195-L216 HydrophobicContact CD1-CB 4.45Å; F195-L216 HydrophobicContact CD1-CD1 4.27Å; F195-L216 HydrophobicContact CD2-CD2 4.21Å; F195-L216 HydrophobicContact CE1-CB 3.8Å; F195-L216 HydrophobicContact CE1-CD1 4.43Å; F195-L216 HydrophobicContact CE1-CD2 4.38Å; F195-L216 HydrophobicContact CE1-CG 4.43Å; F195-L216 HydrophobicContact CE2-CD2 4.03Å; F195-L216 HydrophobicContact CG-CD2 4.47Å; F195-L216 HydrophobicContact CZ-CB 3.93Å; F195-L216 HydrophobicContact CZ-CD2 4.12Å; F195-L219 HydrophobicContact CE2-CD1 4.33Å; F195-L219 HydrophobicContact CZ-CB 4.47Å; F195-L224 HydrophobicContact CD1-CD1 4.25Å; F195-L224 HydrophobicContact CE1-CD1 4.33Å
196	I	94.9	Very high	93.9	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-56.6	-54.4	170.6	-73.6	167.2	0	0	0	109	F56 R192 A193 E198 K199 Y200 D304 V307 L308 M648	F56-I196 HydrophobicContact CE1-CG1 4.34Å; F56-I196 HydrophobicContact CZ-CG1 3.71Å; R192-I196 HydrophobicContact CG-CD1 4.37Å; R192-I196 VanDerWaalsContact O-CG1 3.3Å; R192-I196 WeakPolarHBondContact O-CG1 3.22Å; R192-I196 PolarHBondContact O-N 2.96Å; A193-I196 WeakPolarHBondContact O-CB 3.31Å; A193-I196 PolarHBondContact O-N 2.93Å; I196-E198 PolarHBondContact O-N 3.28Å; I196-K199 WeakPolarHBondContact O-CB 3.48Å; I196-K199 PolarHBondContact O-N 2.84Å; I196-Y200 HydrophobicContact CG2-CD2 4.16Å; I196-Y200 HydrophobicContact CG2-CE2 4.01Å; I196-Y200 VanDerWaalsContact O-CD2 3.23Å; I196-Y200 WeakPolarHBondContact O-CD2 3.45Å; I196-Y200 PolarHBondContact O-N 2.88Å; I196-D304 HydrophobicContact CD1-CB 4.36Å; I196-D304 HydrophobicContact CG2-CB 4.03Å; I196-V307 HydrophobicContact CD1-CB 4.47Å; I196-V307 HydrophobicContact CD1-CG1 4.05Å; I196-L308 HydrophobicContact CD1-CD2 4.27Å; I196-L308 HydrophobicContact CD1-CG 4.4Å; I196-L308 HydrophobicContact CG2-CD1 4.23Å; I196-M648 HydrophobicContact CG2-CE 4.36Å; I196-M648 HydrophobicContact CG2-CG 4.02Å
197	R	96.3	Very high	94	Very high	5 Å²	5	10 Å²	10	2%	0.019	6%	0.056	C	C	.	.	H	α-helix	trans	-58.9	-44.5	178.6	-179.7	174.5	172.6	77.6	1.3	112.7	A193 L194 K199 Y200 M201 F208 F647 A650 E651 I674	A193-R197 PolarHBondContact O-N 3.05Å; L194-R197 PolarHBondContact O-N 3.13Å; R197-K199 VanDerWaalsContact C-N 3.28Å; R197-K199 PolarHBondContact O-N 2.79Å; R197-Y200 PolarHBondContact O-N 2.8Å; R197-M201 HydrophobicContact CG-CG 3.92Å; R197-M201 PolarHBondContact NH2-SD 3.3Å; R197-M201 WeakPolarHBondContact O-CG 3.4Å; R197-M201 PolarHBondContact O-N 3.08Å; R197-F208 HydrophobicContact CB-CE2 4.25Å; R197-F208 HydrophobicContact CG-CD2 4.02Å; R197-F208 HydrophobicContact CG-CE2 4.01Å; R197-F647 HydrophobicContact CB-CE1 3.86Å; R197-F647 HydrophobicContact CB-CE2 4.41Å; R197-F647 HydrophobicContact CB-CZ 3.78Å; R197-F647 WeakPolarHBondContact CD-O 3.27Å; R197-F647 HydrophobicContact CG-CZ 4.48Å; R197-F647 WeakPolarHBondContact CG-O 3.48Å; R197-F647 PolarHBondContact NH1-O 3.45Å; R197-A650 VanDerWaalsContact CZ-O 3.24Å; R197-A650 PolarHBondContact NH1-O 2.94Å; R197-A650 PolarHBondContact NH2-O 3.33Å; R197-E651 PolarHBondContact NH2-O 2.73Å; R197-I674 VanDerWaalsContact CZ-CD1 3.49Å
198	E	94.7	Very high	94.1	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-59.2	-39.2	179.5	-179.6	156.9	-142.6	0	0	112.2	L194 F195 I196 A202 F208 R213 L224	L194-E198 PolarHBondContact O-N 3.38Å; F195-E198 PolarHBondContact O-N 3.33Å; I196-E198 PolarHBondContact O-N 3.28Å; E198-A202 WeakPolarHBondContact O-CB 3.34Å; E198-A202 PolarHBondContact O-N 3.48Å; E198-F208 HydrophobicContact CB-CD1 4.27Å; E198-F208 HydrophobicContact CB-CD2 4.37Å; E198-F208 HydrophobicContact CB-CE1 4Å; E198-F208 HydrophobicContact CB-CE2 4.12Å; E198-F208 HydrophobicContact CB-CG 4.44Å; E198-F208 HydrophobicContact CB-CZ 3.92Å; E198-F208 HydrophobicContact CG-CD1 4.21Å; E198-F208 HydrophobicContact CG-CE1 4.25Å; E198-R213 IonicContact OE1-CZ 2.71Å; E198-R213 IonicContact OE1-NE 3.59Å; E198-R213 PolarHBondContact OE1-NE 3.26Å; E198-R213 IonicContact OE1-NH2 3.53Å; E198-R213 PolarHBondContact OE1-NH2 3.41Å; E198-L224 HydrophobicContact CG-CD1 3.97Å; E198-L224 WeakPolarHBondContact OE2-CD1 3.27Å
199	K	93.4	Very high	94.3	Very high	16 Å²	16	10.5 Å²	10.5	7%	0.07	6%	0.06	C	C	.	.	H	α-helix	trans	-56.7	-51.1	174.3	-176.6	179.9	66.5	178.6	0	111.9	F195 I196 R197 A202 L203 E300 D304	F195-K199 PolarHBondContact O-N 2.84Å; F195-K199 VanDerWaalsContact O-N 3.08Å; I196-K199 WeakPolarHBondContact O-CB 3.48Å; I196-K199 PolarHBondContact O-N 2.84Å; R197-K199 VanDerWaalsContact C-N 3.28Å; R197-K199 PolarHBondContact O-N 2.79Å; K199-A202 PolarHBondContact O-N 2.97Å; K199-L203 HydrophobicContact CG-CD1 4.18Å; K199-L203 WeakPolarHBondContact O-CB 3.45Å; K199-L203 VanDerWaalsContact O-CG 3.31Å; K199-L203 WeakPolarHBondContact O-CG 3.44Å; K199-L203 PolarHBondContact O-N 3.33Å; K199-E300 WeakPolarHBondContact CD-OE1 3.38Å; K199-E300 WeakPolarHBondContact CE-OE1 3.42Å; K199-E300 IonicContact NZ-OE1 2.74Å; K199-E300 PolarHBondContact NZ-OE1 2.96Å; K199-D304 WeakPolarHBondContact CE-OD2 3.11Å; K199-D304 IonicContact NZ-OD1 3.64Å; K199-D304 PolarHBondContact NZ-OD1 3.41Å; K199-D304 IonicContact NZ-OD2 3.86Å; K199-D304 PolarHBondContact NZ-OD2 3.4Å
200	Y	95.9	Very high	94.3	Very high	1 Å²	1	13.9 Å²	13.9	0%	0.004	8%	0.082	C	C	.	.	H	α-helix	trans	-70.2	-40.7	-179	-72.6	-84.9	0	0	0	112.8	I196 R197 A202 L203 S204 P296 F301 D304 F610 M648 L649	I196-Y200 HydrophobicContact CG2-CD2 4.16Å; I196-Y200 HydrophobicContact CG2-CE2 4.01Å; I196-Y200 VanDerWaalsContact O-CD2 3.23Å; I196-Y200 WeakPolarHBondContact O-CD2 3.45Å; I196-Y200 PolarHBondContact O-N 2.88Å; R197-Y200 PolarHBondContact O-N 2.8Å; Y200-A202 VanDerWaalsContact C-N 3.31Å; Y200-A202 PolarHBondContact O-N 3.29Å; Y200-L203 HydrophobicContact CD1-CD1 4.5Å; Y200-L203 PolarHBondContact O-N 2.87Å; Y200-S204 PolarHBondContact O-N 2.87Å; Y200-S204 VanDerWaalsContact O-N 3.09Å; Y200-S204 PolarHBondContact O-OG 2.85Å; Y200-P296 HydrophobicContact CD1-CB 4.21Å; Y200-P296 HydrophobicContact CE1-CB 3.61Å; Y200-P296 HydrophobicContact CE1-CG 4.47Å; Y200-F301 HydrophobicContact CE1-CD2 4.1Å; Y200-F301 WeakPolarHBondContact OH-CA 3.43Å; Y200-D304 HydrophobicContact CE2-CB 4.34Å; Y200-D304 WeakPolarHBondContact CE2-OD2 3.43Å; Y200-D304 PolarHBondContact OH-OD2 3.44Å; Y200-F610 AromaticContact CD1-CE1 3.87Å; Y200-F610 HydrophobicContact CD1-CE1 3.87Å; Y200-F610 AromaticContact CD1-CZ 3.86Å; Y200-F610 HydrophobicContact CD1-CZ 3.86Å; Y200-F610 HydrophobicContact CG-CZ 4.37Å; Y200-F610 WeakPolarHBondContact O-CZ 3.41Å; Y200-M648 WeakPolarHBondContact CB-O 3.38Å; Y200-M648 HydrophobicContact CD2-CB 4.27Å; Y200-M648 HydrophobicContact CD2-CE 4.03Å; Y200-M648 HydrophobicContact CE1-CE 4.17Å; Y200-M648 HydrophobicContact CE2-CE 3.4Å; Y200-M648 HydrophobicContact CG-CB 4.49Å; Y200-M648 VanDerWaalsContact CZ-CE 3.49Å; Y200-L649 HydrophobicContact CD1-CD2 3.52Å; Y200-L649 HydrophobicContact CE1-CD2 4.04Å; Y200-L649 HydrophobicContact CG-CD2 4.11Å
201	M	95.9	Very high	94.2	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-58.6	-45.2	175.4	-65.8	-61.7	101.2	0	0	110.9	R197 S204 L205 Q206 S207 F208 M648 A650	R197-M201 HydrophobicContact CG-CG 3.92Å; R197-M201 PolarHBondContact NH2-SD 3.3Å; R197-M201 WeakPolarHBondContact O-CG 3.4Å; R197-M201 PolarHBondContact O-N 3.08Å; M201-S204 PolarHBondContact O-N 2.76Å; M201-S204 PolarHBondContact O-OG 3.17Å; M201-L205 PolarHBondContact O-N 2.79Å; M201-L205 VanDerWaalsContact O-N 3.09Å; M201-Q206 HydrophobicContact CB-CB 4.42Å; M201-Q206 HydrophobicContact CE-CB 4.47Å; M201-Q206 PolarHBondContact O-N 3.36Å; M201-Q206 HydrophobicContact SD-CB 3.67Å; M201-S207 WeakPolarHBondContact CG-O 3.43Å; M201-F208 HydrophobicContact CB-CB 4.03Å; M201-F208 HydrophobicContact CG-CB 4.15Å; M201-F208 HydrophobicContact CG-CD2 4.23Å; M201-M648 WeakPolarHBondContact CE-O 3.45Å; M201-A650 WeakPolarHBondContact CE-O 3.49Å
202	A	91.4	Very high	94.3	Very high	25 Å²	25	14.3 Å²	14.3	21%	0.207	9%	0.085	C	C	.	.	H	α-helix	trans	-68.1	-38.1	176.7	0	0	0	0	0	113.9	E198 K199 Y200 S204 L205 T226	E198-A202 WeakPolarHBondContact O-CB 3.34Å; E198-A202 PolarHBondContact O-N 3.48Å; K199-A202 PolarHBondContact O-N 2.97Å; Y200-A202 VanDerWaalsContact C-N 3.31Å; Y200-A202 PolarHBondContact O-N 3.29Å; A202-S204 VanDerWaalsContact C-N 3.26Å; A202-S204 PolarHBondContact O-N 3.22Å; A202-L205 PolarHBondContact O-N 3.1Å; A202-T226 HydrophobicContact CB-CG2 3.41Å; A202-T226 VanDerWaalsContact CB-CG2 3.41Å
203	L	92.8	Very high	94.3	Very high	19 Å²	19	15.7 Å²	15.7	10%	0.099	9%	0.09	C	C	.	.	H	α-helix	trans	-59.9	-35.1	175.1	-81.8	171.1	0	0	0	112.6	K199 Y200 P294 P296 H618	K199-L203 HydrophobicContact CG-CD1 4.18Å; K199-L203 WeakPolarHBondContact O-CB 3.45Å; K199-L203 VanDerWaalsContact O-CG 3.31Å; K199-L203 WeakPolarHBondContact O-CG 3.44Å; K199-L203 PolarHBondContact O-N 3.33Å; Y200-L203 HydrophobicContact CD1-CD1 4.5Å; Y200-L203 PolarHBondContact O-N 2.87Å; L203-P294 HydrophobicContact CD2-CB 4.19Å; L203-P296 HydrophobicContact CD1-CB 4.43Å; L203-H618 PolarHBondContact O-NE2 3.05Å
204	S	93.1	Very high	94.2	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-96.4	-3.9	-176.9	51.1	0	0	0	0	114.6	Y200 M201 A202 Q206 F610 N617	Y200-S204 PolarHBondContact O-N 2.87Å; Y200-S204 VanDerWaalsContact O-N 3.09Å; Y200-S204 PolarHBondContact O-OG 2.85Å; M201-S204 PolarHBondContact O-N 2.76Å; M201-S204 PolarHBondContact O-OG 3.17Å; A202-S204 VanDerWaalsContact C-N 3.26Å; A202-S204 PolarHBondContact O-N 3.22Å; S204-Q206 VanDerWaalsContact C-N 3.25Å; S204-Q206 PolarHBondContact O-N 3.2Å; S204-Q206 PolarHBondContact OG-NE2 3.39Å; S204-F610 VanDerWaalsContact CB-CE2 3.46Å; S204-F610 VanDerWaalsContact OG-CE2 3.32Å; S204-F610 WeakPolarHBondContact OG-CE2 3.21Å; S204-N617 PolarHBondContact O-ND2 3.49Å
205	L	93.4	Very high	94	Very high	24 Å²	24	21 Å²	21	13%	0.126	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.6	23.5	-171.6	-53.4	176.3	0	0	0	114.6	M201 A202 N617 R621	M201-L205 PolarHBondContact O-N 2.79Å; M201-L205 VanDerWaalsContact O-N 3.09Å; A202-L205 PolarHBondContact O-N 3.1Å; L205-N617 HydrophobicContact CD1-CB 4.2Å; L205-R621 HydrophobicContact CD1-CB 4.07Å; L205-R621 HydrophobicContact CD1-CG 4.42Å; L205-R621 VanDerWaalsContact CD2-NH1 3.27Å
206	Q	93.9	Very high	93.9	Very high	8 Å²	8	21 Å²	21	4%	0.037	11%	0.11	C	C	.	.			trans	-80.9	164.2	172.6	-72.1	-178	114.6	0	0	111.7	M201 S204 M613 V629 L630 L649 E651	M201-Q206 HydrophobicContact CB-CB 4.42Å; M201-Q206 HydrophobicContact CE-CB 4.47Å; M201-Q206 PolarHBondContact O-N 3.36Å; M201-Q206 HydrophobicContact SD-CB 3.67Å; S204-Q206 VanDerWaalsContact C-N 3.25Å; S204-Q206 PolarHBondContact O-N 3.2Å; S204-Q206 PolarHBondContact OG-NE2 3.39Å; Q206-M613 HydrophobicContact CG-CE 4.36Å; Q206-V629 HydrophobicContact CG-CB 4.25Å; Q206-V629 HydrophobicContact CG-CG1 4.12Å; Q206-L630 PolarHBondContact OE1-O 2.82Å; Q206-L649 PolarHBondContact NE2-O 3.46Å; Q206-E651 WeakPolarHBondContact CB-OE2 3.46Å; Q206-E651 VanDerWaalsContact OE1-N 3.08Å
207	S	92.1	Very high	93.6	Very high	52 Å²	52	25 Å²	25	36%	0.364	13%	0.129	S	C	.	.			trans	-82	156.5	-178.4	98.4	0	0	0	0	112.6	M201 E651	M201-S207 WeakPolarHBondContact CG-O 3.43Å; S207-E651 WeakPolarHBondContact CB-OE1 3.42Å; S207-E651 PolarHBondContact N-OE2 3.42Å; S207-E651 PolarHBondContact OG-OE1 2.89Å
208	F	94	Very high	93.1	Very high	10 Å²	10	29.2 Å²	29.2	4%	0.044	15%	0.149	C	C	.	.			trans	-153.4	137.2	175.2	176.7	-90.5	0	0	0	108.8	R197 E198 M201 T212 R213 L216 A672	R197-F208 HydrophobicContact CB-CE2 4.25Å; R197-F208 HydrophobicContact CG-CD2 4.02Å; R197-F208 HydrophobicContact CG-CE2 4.01Å; E198-F208 HydrophobicContact CB-CD1 4.27Å; E198-F208 HydrophobicContact CB-CD2 4.37Å; E198-F208 HydrophobicContact CB-CE1 4Å; E198-F208 HydrophobicContact CB-CE2 4.12Å; E198-F208 HydrophobicContact CB-CG 4.44Å; E198-F208 HydrophobicContact CB-CZ 3.92Å; E198-F208 HydrophobicContact CG-CD1 4.21Å; E198-F208 HydrophobicContact CG-CE1 4.25Å; M201-F208 HydrophobicContact CB-CB 4.03Å; M201-F208 HydrophobicContact CG-CB 4.15Å; M201-F208 HydrophobicContact CG-CD2 4.23Å; F208-T212 HydrophobicContact CE1-CG2 4.08Å; F208-T212 HydrophobicContact CZ-CG2 3.76Å; F208-R213 HydrophobicContact CD1-CB 4.14Å; F208-R213 HydrophobicContact CE1-CB 4.1Å; F208-R213 PolarHBondContact O-NH1 3.33Å; F208-L216 HydrophobicContact CE1-CD1 4.04Å; F208-L216 HydrophobicContact CZ-CD1 3.86Å; F208-A672 HydrophobicContact CE2-CB 4.29Å
209	C	94.8	Very high	92.6	Very high	20 Å²	20	29.5 Å²	29.5	14%	0.135	15%	0.151	C	C	.	.			trans	-52.3	122.9	-165.9	-173.8	0	0	0	0	113	T211 T212 R213 A672 Q673	C209-T211 VanDerWaalsContact C-N 3.34Å; C209-T211 PolarHBondContact O-N 2.99Å; C209-T212 WeakPolarHBondContact CB-OG1 3.25Å; C209-T212 PolarHBondContact O-N 3.32Å; C209-R213 PolarHBondContact O-N 3.07Å; C209-A672 WeakPolarHBondContact CB-O 3.34Å; C209-Q673 HydrophobicContact CB-CB 4.2Å
210	P	92.6	Very high	91.4	Very high	72 Å²	72	29.4 Å²	29.4	47%	0.468	15%	0.152	S	C	.	.	H	α-helix	trans	-56	-44.8	178.3	-27.5	35.7	0	0	0	113.2	T212 R213 R214 E769	P210-T212 PolarHBondContact O-N 2.79Å; P210-R213 PolarHBondContact O-N 3.44Å; P210-R214 WeakPolarHBondContact O-CB 3.25Å; P210-R214 PolarHBondContact O-N 3.48Å; P210-E769 HydrophobicContact CB-CG 4.42Å
211	T	94.6	Very high	89.5	Confident	10 Å²	10	37.7 Å²	37.7	6%	0.061	19%	0.191	C	C	.	.	H	α-helix	trans	-54.7	-52.3	176.1	-41.1	0	0	0	0	111	C209 R213 R214 Y215 E769 L793 L797	C209-T211 VanDerWaalsContact C-N 3.34Å; C209-T211 PolarHBondContact O-N 2.99Å; T211-R213 PolarHBondContact O-N 2.97Å; T211-R214 WeakPolarHBondContact O-CB 3.25Å; T211-R214 PolarHBondContact O-N 3.09Å; T211-Y215 HydrophobicContact CG2-CD2 4.37Å; T211-Y215 HydrophobicContact CG2-CE2 4.2Å; T211-Y215 VanDerWaalsContact O-CD2 3.31Å; T211-Y215 WeakPolarHBondContact O-CD2 3.4Å; T211-Y215 PolarHBondContact O-N 2.87Å; T211-E769 PolarHBondContact N-OE1 2.85Å; T211-L793 HydrophobicContact CG2-CD2 4.3Å; T211-L797 HydrophobicContact CG2-CD1 3.93Å
212	T	95.9	Very high	87.4	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-62.5	-46.3	-177.9	-47.2	0	0	0	0	111.3	L194 F208 C209 P210 R214 Y215 L216 L671 L797	L194-T212 HydrophobicContact CD1-CG2 4.24Å; L194-T212 HydrophobicContact CD2-CG2 4.22Å; F208-T212 HydrophobicContact CE1-CG2 4.08Å; F208-T212 HydrophobicContact CZ-CG2 3.76Å; C209-T212 WeakPolarHBondContact CB-OG1 3.25Å; C209-T212 PolarHBondContact O-N 3.32Å; P210-T212 PolarHBondContact O-N 2.79Å; T212-R214 VanDerWaalsContact C-N 3.33Å; T212-R214 PolarHBondContact O-N 2.75Å; T212-Y215 PolarHBondContact O-N 3.5Å; T212-L216 HydrophobicContact CG2-CD1 4.45Å; T212-L216 WeakPolarHBondContact O-CG 3.23Å; T212-L216 PolarHBondContact O-N 2.87Å; T212-L671 VanDerWaalsContact CG2-O 3.29Å; T212-L671 WeakPolarHBondContact CG2-O 3.38Å; T212-L671 PolarHBondContact OG1-O 2.84Å; T212-L797 HydrophobicContact CG2-CD2 3.93Å
213	R	93.7	Very high	85.4	Confident	63 Å²	63	48.3 Å²	48.3	24%	0.238	24%	0.241	C	C	.	.	H	α-helix	trans	-55	-46.6	172.5	168.8	179.4	-67	108.2	8.4	111.9	E198 F208 C209 P210 T211 Y215 L216 Q217	E198-R213 IonicContact OE1-CZ 2.71Å; E198-R213 IonicContact OE1-NE 3.59Å; E198-R213 PolarHBondContact OE1-NE 3.26Å; E198-R213 IonicContact OE1-NH2 3.53Å; E198-R213 PolarHBondContact OE1-NH2 3.41Å; F208-R213 HydrophobicContact CD1-CB 4.14Å; F208-R213 HydrophobicContact CE1-CB 4.1Å; F208-R213 PolarHBondContact O-NH1 3.33Å; C209-R213 PolarHBondContact O-N 3.07Å; P210-R213 PolarHBondContact O-N 3.44Å; T211-R213 PolarHBondContact O-N 2.97Å; R213-Y215 PolarHBondContact O-N 2.78Å; R213-L216 PolarHBondContact O-N 2.99Å; R213-Q217 HydrophobicContact CG-CG 4.13Å; R213-Q217 WeakPolarHBondContact O-CB 3.39Å; R213-Q217 VanDerWaalsContact O-CG 3.28Å; R213-Q217 WeakPolarHBondContact O-CG 3.46Å; R213-Q217 PolarHBondContact O-N 3.02Å
214	R	93.1	Very high	83.3	Confident	80 Å²	80	48.5 Å²	48.5	30%	0.302	24%	0.243	S	C	.	.	H	α-helix	trans	-60.2	-33.3	-179	179.4	175.1	57.5	72.3	-10.4	112.4	P210 T211 T212 Q218 E769	P210-R214 WeakPolarHBondContact O-CB 3.25Å; P210-R214 PolarHBondContact O-N 3.48Å; T211-R214 WeakPolarHBondContact O-CB 3.25Å; T211-R214 PolarHBondContact O-N 3.09Å; T212-R214 VanDerWaalsContact C-N 3.33Å; T212-R214 PolarHBondContact O-N 2.75Å; R214-Q218 WeakPolarHBondContact O-CG 3.4Å; R214-E769 IonicContact CZ-OE2 3.8Å; R214-E769 VanDerWaalsContact CZ-OE2 3.27Å; R214-E769 IonicContact NE-OE1 3.21Å; R214-E769 PolarHBondContact NE-OE1 2.86Å; R214-E769 IonicContact NE-OE2 3.26Å; R214-E769 PolarHBondContact NE-OE2 3.37Å; R214-E769 IonicContact NH2-OE2 3.29Å; R214-E769 PolarHBondContact NH2-OE2 2.85Å
215	Y	93.9	Very high	80.9	Confident	33 Å²	33	55.9 Å²	55.9	13%	0.129	28%	0.277	C	S	.	.	H	α-helix	trans	-78	-42.2	172.7	-79.9	-81.7	0	0	0	112.6	T211 T212 R213 Q217 Q218 C794 L797 A798	T211-Y215 HydrophobicContact CG2-CD2 4.37Å; T211-Y215 HydrophobicContact CG2-CE2 4.2Å; T211-Y215 VanDerWaalsContact O-CD2 3.31Å; T211-Y215 WeakPolarHBondContact O-CD2 3.4Å; T211-Y215 PolarHBondContact O-N 2.87Å; T212-Y215 PolarHBondContact O-N 3.5Å; R213-Y215 PolarHBondContact O-N 2.78Å; Y215-Q217 VanDerWaalsContact C-N 3.29Å; Y215-Q217 PolarHBondContact O-N 2.87Å; Y215-Q218 WeakPolarHBondContact O-CB 2.98Å; Y215-Q218 PolarHBondContact O-N 3.41Å; Y215-Q218 VanDerWaalsContact O-N 3.08Å; Y215-C794 HydrophobicContact CE2-CB 4.14Å; Y215-C794 WeakPolarHBondContact OH-CB 3.33Å; Y215-C794 PolarHBondContact OH-O 2.72Å; Y215-L797 HydrophobicContact CD1-CB 4.21Å; Y215-L797 HydrophobicContact CD2-CB 3.68Å; Y215-L797 HydrophobicContact CD2-CD1 3.71Å; Y215-L797 HydrophobicContact CD2-CG 4.31Å; Y215-L797 HydrophobicContact CE2-CB 4.12Å; Y215-L797 HydrophobicContact CE2-CD1 4.24Å; Y215-L797 HydrophobicContact CG-CB 3.75Å; Y215-L797 HydrophobicContact CG-CD1 4.43Å; Y215-A798 HydrophobicContact CE1-CB 3.94Å
216	L	91.3	Very high	78.5	Confident	3 Å²	3	57.1 Å²	57.1	2%	0.016	29%	0.286	C	S	.	.	H	α-helix	trans	-60.5	-37.5	175	-67.2	176.5	0	0	0	112.5	V191 L194 F195 F208 T212 R213 Q218 L219	V191-L216 HydrophobicContact CG1-CD2 4.16Å; L194-L216 HydrophobicContact CB-CD1 4.02Å; L194-L216 HydrophobicContact CB-CD2 4.07Å; L194-L216 HydrophobicContact CD1-CD2 4.49Å; F195-L216 HydrophobicContact CD1-CB 4.45Å; F195-L216 HydrophobicContact CD1-CD1 4.27Å; F195-L216 HydrophobicContact CD2-CD2 4.21Å; F195-L216 HydrophobicContact CE1-CB 3.8Å; F195-L216 HydrophobicContact CE1-CD1 4.43Å; F195-L216 HydrophobicContact CE1-CD2 4.38Å; F195-L216 HydrophobicContact CE1-CG 4.43Å; F195-L216 HydrophobicContact CE2-CD2 4.03Å; F195-L216 HydrophobicContact CG-CD2 4.47Å; F195-L216 HydrophobicContact CZ-CB 3.93Å; F195-L216 HydrophobicContact CZ-CD2 4.12Å; F208-L216 HydrophobicContact CE1-CD1 4.04Å; F208-L216 HydrophobicContact CZ-CD1 3.86Å; T212-L216 HydrophobicContact CG2-CD1 4.45Å; T212-L216 WeakPolarHBondContact O-CG 3.23Å; T212-L216 PolarHBondContact O-N 2.87Å; R213-L216 PolarHBondContact O-N 2.99Å; L216-Q218 PolarHBondContact O-N 3.19Å; L216-L219 WeakPolarHBondContact O-CB 3.39Å; L216-L219 PolarHBondContact O-N 3.19Å
217	Q	88.4	Confident	75.8	Confident	83 Å²	83	67 Å²	67	39%	0.388	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-18	176.2	-74.9	176.7	-14.3	0	0	113.8	R213 Y215 L219	R213-Q217 HydrophobicContact CG-CG 4.13Å; R213-Q217 WeakPolarHBondContact O-CB 3.39Å; R213-Q217 VanDerWaalsContact O-CG 3.28Å; R213-Q217 WeakPolarHBondContact O-CG 3.46Å; R213-Q217 PolarHBondContact O-N 3.02Å; Y215-Q217 VanDerWaalsContact C-N 3.29Å; Y215-Q217 PolarHBondContact O-N 2.87Å; Q217-L219 PolarHBondContact O-N 3.28Å
218	Q	86.6	Confident	73.1	Confident	94 Å²	94	69.3 Å²	69.3	44%	0.439	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-10.2	172.9	-65.8	168.9	5.4	0	0	113	R214 Y215 L216 Q805	R214-Q218 WeakPolarHBondContact O-CG 3.4Å; Y215-Q218 WeakPolarHBondContact O-CB 2.98Å; Y215-Q218 PolarHBondContact O-N 3.41Å; Y215-Q218 VanDerWaalsContact O-N 3.08Å; L216-Q218 PolarHBondContact O-N 3.19Å; Q218-Q805 PolarHBondContact O-NE2 3.36Å
219	L	83.3	Confident	70.6	Confident	7 Å²	7	74.2 Å²	74.2	4%	0.037	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-32.4	175.8	-58.9	-179.3	0	0	0	112	L58 V191 F195 L216 Q217 T801 V804 Q805	L58-L219 HydrophobicContact CD1-CB 3.68Å; L58-L219 HydrophobicContact CD2-CB 3.85Å; L58-L219 WeakPolarHBondContact CD2-O 3.13Å; L58-L219 HydrophobicContact CG-CB 4.39Å; V191-L219 HydrophobicContact CB-CD1 4.48Å; V191-L219 HydrophobicContact CG1-CD1 3.5Å; V191-L219 VanDerWaalsContact CG1-CD1 3.5Å; V191-L219 HydrophobicContact CG2-CD1 4.12Å; F195-L219 HydrophobicContact CE2-CD1 4.33Å; F195-L219 HydrophobicContact CZ-CB 4.47Å; L216-L219 WeakPolarHBondContact O-CB 3.39Å; L216-L219 PolarHBondContact O-N 3.19Å; Q217-L219 PolarHBondContact O-N 3.28Å; L219-T801 HydrophobicContact CD1-CG2 4.02Å; L219-T801 HydrophobicContact CD2-CG2 4.48Å; L219-T801 HydrophobicContact CG-CG2 4.24Å; L219-V804 HydrophobicContact CD2-CB 4.38Å; L219-V804 HydrophobicContact CD2-CG1 4.32Å; L219-Q805 HydrophobicContact CD2-CG 3.57Å
220	A	69.8	Low	67.9	Low	13 Å²	13	80.5 Å²	80.5	11%	0.107	38%	0.381	C	S	.	.			trans	-88.7	115.6	-167.6	0	0	0	0	0	112.6	P57 L58 K222	P57-A220 HydrophobicContact CB-CB 3.92Å; P57-A220 HydrophobicContact CG-CB 3.53Å; L58-A220 HydrophobicContact CD1-CB 4.44Å; A220-K222 WeakPolarHBondContact CB-O 2.97Å; A220-K222 CarbonylContact O-C 3.51Å; A220-K222 PolarHBondContact O-N 2.77Å
221	E	55.9	Low	65.4	Low	175 Å²	175	80.2 Å²	80.2	82%	0.818	37%	0.373	S	S	*	.	S	Bend	trans	-54	-27.7	177	-63.4	-171.6	162.1	0	0	113.8
222	K	50	Low	62.7	Low	162 Å²	162	84.7 Å²	84.7	70%	0.704	41%	0.405	S	S	*	.	S	Bend	trans	-121.9	128.6	166.7	-64.8	175.4	-175.3	171.4	0	107.6	A220 L224	A220-K222 WeakPolarHBondContact CB-O 2.97Å; A220-K222 CarbonylContact O-C 3.51Å; A220-K222 PolarHBondContact O-N 2.77Å; K222-L224 PolarHBondContact O-N 3.16Å
223	P	50.4	Low	60.1	Low	86 Å²	86	90.1 Å²	90.1	56%	0.558	44%	0.441	S	S	*	.			trans	-58.1	141.5	166.8	27.6	-34	0	0	0	108.7	E225	P223-E225 PolarHBondContact O-N 3.18Å
224	L	49.3	Very low	58	Low	24 Å²	24	90.4 Å²	90.4	13%	0.126	45%	0.447	C	S	.	.			trans	-53.2	124.4	174.7	-59.4	163.7	0	0	0	108.4	L53 P57 F195 E198 K222 T226	L53-L224 HydrophobicContact CD1-CB 4.36Å; L53-L224 HydrophobicContact CD1-CD2 3.76Å; L53-L224 HydrophobicContact CD2-CD2 4.44Å; P57-L224 HydrophobicContact CG-CD2 4.34Å; F195-L224 HydrophobicContact CD1-CD1 4.25Å; F195-L224 HydrophobicContact CE1-CD1 4.33Å; E198-L224 HydrophobicContact CG-CD1 3.97Å; E198-L224 WeakPolarHBondContact OE2-CD1 3.27Å; K222-L224 PolarHBondContact O-N 3.16Å; L224-T226 WeakPolarHBondContact CB-OG1 3.22Å; L224-T226 PolarHBondContact O-N 2.97Å; L224-T226 PolarHBondContact O-OG1 3.45Å
225	E	42.4	Very low	56.4	Low	154 Å²	154	91.9 Å²	91.9	72%	0.72	47%	0.465	S	S	*	.	S	Bend	trans	-71.2	16	-179.4	-71	-157.4	145	0	0	113.7	P223 R227	P223-E225 PolarHBondContact O-N 3.18Å; E225-R227 PolarHBondContact O-N 2.84Å
226	T	42.3	Very low	55	Low	50 Å²	50	93.3 Å²	93.3	31%	0.307	48%	0.478	S	S	.	.			trans	-63.5	73.6	159.4	53.1	0	0	0	0	109.4	L53 A202 L224 T228	L53-T226 HydrophobicContact CD1-CG2 4.36Å; A202-T226 HydrophobicContact CB-CG2 3.41Å; A202-T226 VanDerWaalsContact CB-CG2 3.41Å; L224-T226 WeakPolarHBondContact CB-OG1 3.22Å; L224-T226 PolarHBondContact O-N 2.97Å; L224-T226 PolarHBondContact O-OG1 3.45Å; T226-T228 PolarHBondContact O-N 2.76Å
227	R	37.2	Very low	54.2	Low	215 Å²	215	94.3 Å²	94.3	81%	0.811	48%	0.484	S	S	*	.			trans	-46.2	131.3	177	-71.5	-176.1	178.5	-176.6	0.4	109.4	E225 Y229	E225-R227 PolarHBondContact O-N 2.84Å; R227-Y229 PolarHBondContact O-N 3.45Å
228	T	36.4	Very low	53.4	Low	101 Å²	101	93.7 Å²	93.7	62%	0.62	49%	0.489	S	S	*	.			trans	-40.7	134.8	-167.5	-35.1	0	0	0	0	112.4	T226 E230	T226-T228 PolarHBondContact O-N 2.76Å; T228-E230 HydrophobicContact CG2-CG 4.34Å; T228-E230 PolarHBondContact O-N 3.25Å
229	Y	40.4	Very low	52.5	Low	114 Å²	114	91.8 Å²	91.8	45%	0.447	49%	0.489	S	S	.	.			trans	-69.3	70.1	152.4	-179.3	-127.7	0	0	0	108.5	R227 Q231	R227-Y229 PolarHBondContact O-N 3.45Å; Y229-Q231 HydrophobicContact CD1-CG 4.21Å; Y229-Q231 HydrophobicContact CE1-CG 3.59Å; Y229-Q231 HydrophobicContact CE2-CG 4.03Å; Y229-Q231 PolarHBondContact O-N 2.96Å
230	E	37.6	Very low	51.9	Low	152 Å²	152	98.6 Å²	98.6	71%	0.71	53%	0.526	S	S	*	.			trans	-59.8	111.1	143.8	-74.8	176.8	-171.9	0	0	105	T228 S232	T228-E230 HydrophobicContact CG2-CG 4.34Å; T228-E230 PolarHBondContact O-N 3.25Å; E230-S232 PolarHBondContact O-N 2.66Å
231	Q	40.6	Very low	52	Low	65 Å²	65	98.9 Å²	98.9	30%	0.304	53%	0.528	S	S	.	.			trans	-49.4	138.9	161	-73.3	175.6	-39.5	0	0	107.4	Y229 P233 H755	Y229-Q231 HydrophobicContact CD1-CG 4.21Å; Y229-Q231 HydrophobicContact CE1-CG 3.59Å; Y229-Q231 HydrophobicContact CE2-CG 4.03Å; Y229-Q231 PolarHBondContact O-N 2.96Å; Q231-P233 VanDerWaalsContact O-N 3.15Å; Q231-H755 PolarHBondContact OE1-CD2 3.29Å
232	S	38.2	Very low	52.9	Low	105 Å²	105	94.6 Å²	94.6	73%	0.734	52%	0.516	S	S	*	.			trans	-46.3	127.9	174.3	-172.3	0	0	0	0	108	E230 D234	E230-S232 PolarHBondContact O-N 2.66Å; S232-D234 PolarHBondContact O-N 2.81Å
233	P	41.3	Very low	53.9	Low	114 Å²	114	88.1 Å²	88.1	74%	0.74	49%	0.49	S	S	*	.			trans	-75.2	69.6	-157.8	28.9	-36.8	0	0	0	112.7	Q231 T235	Q231-P233 VanDerWaalsContact O-N 3.15Å; P233-T235 PolarHBondContact O-N 3.37Å
234	D	50.5	Low	55.1	Low	68 Å²	68	87 Å²	87	36%	0.364	48%	0.477	S	S	.	.			trans	-67.8	83.3	162.8	-138.6	13.9	0	0	0	105.7	S232 H755 K756	S232-D234 PolarHBondContact O-N 2.81Å; D234-H755 PolarHBondContact O-CE1 3.2Å; D234-H755 VanDerWaalsContact O-CE1 3.27Å; D234-H755 PolarHBondContact O-ND1 3.16Å; D234-K756 WeakPolarHBondContact OD2-CB 3.06Å
235	T	57.8	Low	56.3	Low	111 Å²	111	87.9 Å²	87.9	68%	0.681	48%	0.484	S	S	*	.			trans	-42.3	127.4	-171.4	-47.4	0	0	0	0	110.4	P233 V237	P233-T235 PolarHBondContact O-N 3.37Å; T235-V237 PolarHBondContact O-N 3.46Å
236	P	64.9	Low	57.7	Low	64 Å²	64	85.4 Å²	85.4	42%	0.416	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-54.8	141.1	179.2	24.1	-33.9	0	0	0	109.4	P764	P236-P764 WeakPolarHBondContact CB-O 3.41Å
237	V	75.9	Confident	59.1	Low	23 Å²	23	87.5 Å²	87.5	14%	0.139	50%	0.503	C	S	.	.	P	Polyproline II helix	trans	-66.9	157.2	-174.6	-63.9	0	0	0	0	111	T235 A241 K756 S759 H760 P764	T235-V237 PolarHBondContact O-N 3.46Å; V237-A241 HydrophobicContact CB-CB 3.7Å; V237-A241 HydrophobicContact CG2-CB 3.78Å; V237-K756 HydrophobicContact CG1-CG 4.42Å; V237-S759 PolarHBondContact N-OG 3.24Å; V237-H760 VanDerWaalsContact CG1-CE1 3.43Å; V237-H760 WeakPolarHBondContact CG1-CE1 3.28Å; V237-P764 WeakPolarHBondContact O-CB 3.32Å
238	S	71.3	Confident	60.7	Low	71 Å²	71	82.5 Å²	82.5	50%	0.497	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-53.7	150.3	176.2	-172.4	0	0	0	0	111	D240 A241	S238-D240 PolarHBondContact O-N 2.93Å; S238-A241 WeakPolarHBondContact O-CB 3.49Å; S238-A241 PolarHBondContact O-N 2.94Å
239	A	67.1	Low	62.1	Low	53 Å²	53	87.1 Å²	87.1	44%	0.438	51%	0.507	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-33.7	173.7	0	0	0	0	0	112.1	A241 P764 R778	A239-A241 VanDerWaalsContact C-N 3.31Å; A239-P764 HydrophobicContact CB-CG 4.31Å; A239-R778 PolarHBondContact O-NH2 2.97Å
240	D	71.3	Confident	63.7	Low	150 Å²	150	87.6 Å²	87.6	80%	0.802	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-4	176.7	-47.2	-59.5	0	0	0	113.7	S238	S238-D240 PolarHBondContact O-N 2.93Å
241	A	71.5	Confident	65.8	Low	19 Å²	19	82.6 Å²	82.6	16%	0.157	49%	0.49	C	S	.	.	S	Bend	trans	-66.6	141	178.4	0	0	0	0	0	110.6	V237 S238 A239 R778	V237-A241 HydrophobicContact CB-CB 3.7Å; V237-A241 HydrophobicContact CG2-CB 3.78Å; S238-A241 WeakPolarHBondContact O-CB 3.49Å; S238-A241 PolarHBondContact O-N 2.94Å; A239-A241 VanDerWaalsContact C-N 3.31Å; A241-R778 PolarHBondContact O-NH1 3.45Å; A241-R778 PolarHBondContact O-NH2 2.94Å
242	P	74.8	Confident	67.9	Low	85 Å²	85	81.2 Å²	81.2	55%	0.552	49%	0.486	S	S	*	.			trans	-57.3	157.6	-177	23.6	-34.4	0	0	0	112.5	H244 H760	P242-H244 PolarHBondContact O-N 3.08Å; P242-H760 PolarHBondContact O-CD2 3.18Å; P242-H760 VanDerWaalsContact O-CD2 3.24Å
243	V	70.9	Confident	70.2	Confident	27 Å²	27	76.6 Å²	76.6	16%	0.164	45%	0.453	C	S	.	.	S	Bend	trans	-73	-6.2	175.5	-175.4	0	0	0	0	112	R778	V243-R778 HydrophobicContact CG2-CG 4.18Å
244	H	75.3	Confident	72	Confident	62 Å²	62	75.4 Å²	75.4	29%	0.287	44%	0.437	S	S	.	.	S	Bend	trans	-110.5	125.1	176.6	-56.7	-53.5	0	0	0	109.4	P242 R359 K479 Y480	P242-H244 PolarHBondContact O-N 3.08Å; H244-R359 PolarHBondContact ND1-NH2 3.11Å; H244-K479 WeakPolarHBondContact CE1-CE 3.47Å; H244-K479 WeakPolarHBondContact NE2-CE 3.25Å; H244-K479 PolarHBondContact NE2-NZ 3.22Å; H244-K479 VanDerWaalsContact NE2-NZ 3.15Å; H244-Y480 AromaticContact CE1-CE1 3.92Å
245	P	75.3	Confident	73.2	Confident	43 Å²	43	77.2 Å²	77.2	28%	0.279	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-52.3	148.8	164.4	-25	34.6	0	0	0	111.2	V757 H760	P245-V757 HydrophobicContact CG-CG1 4.26Å; P245-V757 HydrophobicContact CG-CG2 4.28Å; P245-H760 HydrophobicContact CG-CB 4.07Å
246	P	71.8	Confident	74.3	Confident	102 Å²	102	74 Å²	74	66%	0.662	43%	0.425	S	S	*	.	P	Polyproline II helix	trans	-60.2	146.2	172.5	27.1	-34.5	0	0	0	110.3
247	A	72.1	Confident	75.1	Confident	93 Å²	93	76 Å²	76	77%	0.769	43%	0.429	S	S	*	.	P	Polyproline II helix	trans	-63.9	148.8	171.8	0	0	0	0	0	110.5
248	L	70.3	Confident	75.5	Confident	111 Å²	111	78 Å²	78	58%	0.581	44%	0.442	S	S	*	.	P	Polyproline II helix	trans	-71.1	130.8	171.1	-65.5	166.7	0	0	0	109.1	Q250 P252	L248-Q250 VanDerWaalsContact C-N 3.25Å; L248-Q250 PolarHBondContact O-N 2.93Å; L248-P252 HydrophobicContact CD1-CG 3.86Å
249	E	65.4	Low	75.9	Confident	198 Å²	198	79 Å²	79	93%	0.925	45%	0.449	S	S	*	.	S	Bend	trans	-72.8	-19.5	-179.9	-61.4	-175.6	166.4	0	0	113
250	Q	74.6	Confident	76.7	Confident	124 Å²	124	81.4 Å²	81.4	58%	0.579	46%	0.459	S	S	*	.	S	Bend	trans	-142.1	158.4	-179.4	-65.7	-178.9	-14.5	0	0	110	L248	L248-Q250 VanDerWaalsContact C-N 3.25Å; L248-Q250 PolarHBondContact O-N 2.93Å
251	H	81.9	Confident	77.5	Confident	46 Å²	46	75.2 Å²	75.2	21%	0.213	43%	0.425	C	S	.	.			trans	-75.9	136.4	178.4	-172.1	-89	0	0	0	111.1	Y253 E254	H251-Y253 AromaticContact CE1-CD2 3.67Å; H251-Y253 AromaticContact CE1-CG 3.9Å; H251-Y253 PolarHBondContact ND1-N 3.09Å; H251-Y253 VanDerWaalsContact ND1-N 3.18Å; H251-Y253 PolarHBondContact O-N 3.05Å; H251-E254 HydrophobicContact CB-CB 4.28Å; H251-E254 WeakPolarHBondContact CB-OE2 3.39Å; H251-E254 PolarHBondContact N-OE2 2.96Å; H251-E254 WeakPolarHBondContact O-CB 3.48Å; H251-E254 PolarHBondContact O-N 3.1Å
252	P	84.1	Confident	78.5	Confident	36 Å²	36	76.8 Å²	76.8	23%	0.234	43%	0.434	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-29.2	-176.9	-29.3	37.4	0	0	0	115	L248 H566	L248-P252 HydrophobicContact CD1-CG 3.86Å; P252-H566 WeakPolarHBondContact CB-NE2 3.48Å
253	Y	87	Confident	79.2	Confident	8 Å²	8	75.1 Å²	75.1	3%	0.031	43%	0.433	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	23.9	176.2	-45.7	-31.1	0	0	0	113.6	H251 A504 V505 H510 L562 H566	H251-Y253 AromaticContact CE1-CD2 3.67Å; H251-Y253 AromaticContact CE1-CG 3.9Å; H251-Y253 PolarHBondContact ND1-N 3.09Å; H251-Y253 VanDerWaalsContact ND1-N 3.18Å; H251-Y253 PolarHBondContact O-N 3.05Å; Y253-A504 VanDerWaalsContact CD2-O 3.32Å; Y253-A504 WeakPolarHBondContact CD2-O 3.11Å; Y253-A504 HydrophobicContact CE2-CB 4.23Å; Y253-A504 WeakPolarHBondContact CE2-O 3.48Å; Y253-V505 HydrophobicContact CD1-CG2 4.1Å; Y253-V505 HydrophobicContact CD2-CG2 4.27Å; Y253-V505 HydrophobicContact CG-CB 4.48Å; Y253-V505 HydrophobicContact CG-CG2 3.99Å; Y253-H510 HydrophobicContact CD2-CB 4.42Å; Y253-H510 HydrophobicContact CE2-CB 3.88Å; Y253-L562 HydrophobicContact CD1-CB 4.25Å; Y253-H566 AromaticContact CE1-CE1 3.93Å; Y253-H566 AromaticContact CE1-ND1 3.75Å
254	E	78.6	Confident	80.3	Confident	89 Å²	89	76.2 Å²	76.2	42%	0.416	44%	0.437	S	S	.	.	S	Bend	trans	-76.8	-35.9	179.1	-156.3	104.7	-105.2	0	0	112.7	H251 K508	H251-E254 HydrophobicContact CB-CB 4.28Å; H251-E254 WeakPolarHBondContact CB-OE2 3.39Å; H251-E254 PolarHBondContact N-OE2 2.96Å; H251-E254 WeakPolarHBondContact O-CB 3.48Å; H251-E254 PolarHBondContact O-N 3.1Å; E254-K508 IonicContact OE1-NZ 3.97Å; E254-K508 PolarHBondContact OE1-NZ 3.02Å
255	H	76.4	Confident	81	Confident	107 Å²	107	77.1 Å²	77.1	50%	0.495	44%	0.444	S	S	.	.			trans	-122.4	76.6	-172	-68.6	-67.6	0	0	0	112	E257	H255-E257 VanDerWaalsContact C-N 3.32Å; H255-E257 PolarHBondContact O-N 3.28Å
256	C	79.6	Confident	81.7	Confident	44 Å²	44	76.2 Å²	76.2	30%	0.297	44%	0.442	S	S	.	.			trans	-87.5	68.4	172.3	-162.6	0	0	0	0	111	L562	C256-L562 HydrophobicContact CB-CD1 3.81Å
257	E	82	Confident	82.6	Confident	105 Å²	105	73 Å²	73	49%	0.491	42%	0.419	S	S	.	.			trans	-108.2	114.6	178.1	-77.3	-165.2	-144.9	0	0	111.5	H255 S259 T260	H255-E257 VanDerWaalsContact C-N 3.32Å; H255-E257 PolarHBondContact O-N 3.28Å; E257-S259 WeakPolarHBondContact CB-OG 3.41Å; E257-S259 PolarHBondContact O-N 2.88Å; E257-S259 PolarHBondContact OE2-OG 3.33Å; E257-S259 VanDerWaalsContact OE2-OG 3.1Å; E257-T260 HydrophobicContact CB-CG2 4.38Å; E257-T260 PolarHBondContact O-N 3.23Å; E257-T260 VanDerWaalsContact O-N 3.15Å; E257-T260 PolarHBondContact O-OG1 3.21Å
258	P	83.4	Confident	83.6	Confident	64 Å²	64	68.6 Å²	68.6	42%	0.416	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-16.9	177.6	-25	34.6	0	0	0	114.7	A555 P558	P258-A555 HydrophobicContact CB-CB 3.88Å; P258-P558 HydrophobicContact CG-CB 4.09Å; P258-P558 HydrophobicContact CG-CG 4.18Å
259	S	80.9	Confident	84.7	Confident	92 Å²	92	65.2 Å²	65.2	64%	0.643	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-26	177.1	54.6	0	0	0	0	114	E257	E257-S259 WeakPolarHBondContact CB-OG 3.41Å; E257-S259 PolarHBondContact O-N 2.88Å; E257-S259 PolarHBondContact OE2-OG 3.33Å; E257-S259 VanDerWaalsContact OE2-OG 3.1Å
260	T	83.8	Confident	86.1	Confident	104 Å²	104	61.4 Å²	61.4	64%	0.638	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-10.9	179.1	64.3	0	0	0	0	112.5	E257	E257-T260 HydrophobicContact CB-CG2 4.38Å; E257-T260 PolarHBondContact O-N 3.23Å; E257-T260 VanDerWaalsContact O-N 3.15Å; E257-T260 PolarHBondContact O-OG1 3.21Å
261	M	88.6	Confident	87	Confident	20 Å²	20	56 Å²	56	10%	0.099	32%	0.317	C	S	.	.	S	Bend	trans	-77.9	152.2	-175.5	-64.4	-174.4	178.2	0	0	112.6	G263 P554 P558 L562	M261-G263 PolarHBondContact O-N 3.03Å; M261-P554 HydrophobicContact CB-CB 4.17Å; M261-P554 HydrophobicContact SD-CB 4.35Å; M261-P558 HydrophobicContact CE-CB 3.57Å; M261-P558 HydrophobicContact SD-CB 3.65Å; M261-L562 HydrophobicContact CE-CD1 4.41Å; M261-L562 HydrophobicContact CE-CD2 4.4Å; M261-L562 HydrophobicContact CE-CG 4.12Å
262	P	91.1	Very high	87.6	Confident	52 Å²	52	55.8 Å²	55.8	34%	0.338	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-60	130.8	176.8	-26	37.3	0	0	0	112.5	P554 R623 F625	P262-P554 WeakPolarHBondContact O-CD 3.42Å; P262-R623 VanDerWaalsContact CB-NH2 3.32Å; P262-F625 HydrophobicContact CB-CE1 4.36Å; P262-F625 HydrophobicContact CB-CZ 4.06Å; P262-F625 HydrophobicContact CG-CE1 3.85Å; P262-F625 HydrophobicContact CG-CZ 3.89Å
263	G	90.8	Very high	88	Confident	51 Å²	51	61.3 Å²	61.3	53%	0.526	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-63.3	166.7	-174.2	0	0	0	0	0	115.6	M261 R623	M261-G263 PolarHBondContact O-N 3.03Å; G263-R623 PolarHBondContact O-NH1 2.88Å; G263-R623 PolarHBondContact O-NH2 3.11Å
264	D	92.9	Very high	88.3	Confident	50 Å²	50	60.9 Å²	60.9	27%	0.267	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-60.5	134.5	178.8	-160.1	-27.1	0	0	0	112.6	G266 R282 H553	D264-G266 PolarHBondContact OD1-N 3.32Å; D264-R282 IonicContact OD1-NH2 3.9Å; D264-R282 IonicContact OD2-CZ 3.07Å; D264-R282 IonicContact OD2-NH1 2.81Å; D264-R282 PolarHBondContact OD2-NH1 3.05Å; D264-R282 IonicContact OD2-NH2 2.66Å; D264-R282 PolarHBondContact OD2-NH2 2.95Å; D264-H553 HydrophobicContact CB-CB 4.36Å; D264-H553 VanDerWaalsContact CB-CD2 3.44Å; D264-H553 WeakPolarHBondContact CB-CD2 3.47Å; D264-H553 IonicContact OD2-CD2 3.69Å; D264-H553 IonicContact OD2-CG 3.74Å
265	L	91	Very high	89.2	Confident	81 Å²	81	57 Å²	57	42%	0.424	32%	0.316	S	S	.	.			trans	-82.9	-13.2	172.6	-60.1	-179.1	0	0	0	113.4	L267 V552 L619 R623	L265-L267 HydrophobicContact CB-CD1 3.9Å; L265-L267 HydrophobicContact CB-CG 3.86Å; L265-L267 HydrophobicContact CD1-CD1 3.91Å; L265-L267 PolarHBondContact O-N 3.25Å; L265-V552 HydrophobicContact CB-CG1 4.33Å; L265-V552 PolarHBondContact N-O 2.66Å; L265-V552 VanDerWaalsContact N-O 3.12Å; L265-L619 HydrophobicContact CD1-CD1 4.5Å; L265-R623 HydrophobicContact CD1-CG 4.21Å
266	G	89	Confident	90.1	Very high	23 Å²	23	51.9 Å²	51.9	24%	0.237	29%	0.292	C	S	.	.			trans	72.5	12.2	-179.9	0	0	0	0	0	115	D264 R282	D264-G266 PolarHBondContact OD1-N 3.32Å; G266-R282 WeakPolarHBondContact O-CG 3.2Å; G266-R282 PolarHBondContact O-N 3.18Å; G266-R282 VanDerWaalsContact O-N 3.14Å
267	L	91.4	Very high	90.8	Very high	34 Å²	34	50.8 Å²	50.8	18%	0.178	28%	0.283	C	S	.	.			trans	-76.3	149.7	-178.6	-59	173.1	0	0	0	111.4	L265 V278 Y279 V291 V552 L619	L265-L267 HydrophobicContact CB-CD1 3.9Å; L265-L267 HydrophobicContact CB-CG 3.86Å; L265-L267 HydrophobicContact CD1-CD1 3.91Å; L265-L267 PolarHBondContact O-N 3.25Å; L267-V278 HydrophobicContact CB-CG1 4.11Å; L267-V278 HydrophobicContact CD1-CG1 3.85Å; L267-V278 HydrophobicContact CG-CG1 4.42Å; L267-Y279 CarbonylContact C-O 3.54Å; L267-Y279 VanDerWaalsContact CA-O 3.25Å; L267-Y279 WeakPolarHBondContact CA-O 3.45Å; L267-Y279 WeakPolarHBondContact CB-O 3.43Å; L267-Y279 WeakPolarHBondContact CD2-O 3.44Å; L267-V291 HydrophobicContact CD2-CG2 4.24Å; L267-V552 HydrophobicContact CB-CG1 4.07Å; L267-V552 HydrophobicContact CB-CG2 4.2Å; L267-V552 HydrophobicContact CD1-CG2 4.4Å; L267-L619 HydrophobicContact CD1-CD1 4.16Å
268	G	92.5	Very high	91.3	Very high	2 Å²	2	45.8 Å²	45.8	2%	0.021	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	153	170.3	0	0	0	0	0	111.4	V278 Y279 R281 R282	G268-V278 WeakPolarHBondContact O-CA 3.43Å; G268-Y279 PolarHBondContact N-O 3.48Å; G268-Y279 PolarHBondContact O-N 2.82Å; G268-R281 WeakPolarHBondContact CA-O 3.39Å; G268-R281 PolarHBondContact N-O 3.32Å; G268-R281 VanDerWaalsContact N-O 3.09Å; G268-R282 VanDerWaalsContact CA-O 3.28Å; G268-R282 WeakPolarHBondContact CA-O 3.46Å
269	L	94.7	Very high	91.8	Very high	39 Å²	39	43.3 Å²	43.3	20%	0.204	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	132.3	-176.7	-62.6	171.5	0	0	0	109	V276 V278 L545 F548 E549 V552	L269-V276 HydrophobicContact CD2-CG1 4.21Å; L269-V278 HydrophobicContact CD2-CB 4.47Å; L269-V278 HydrophobicContact CD2-CG1 4.29Å; L269-V278 HydrophobicContact CD2-CG2 3.93Å; L269-L545 HydrophobicContact CB-CD2 4.17Å; L269-F548 HydrophobicContact CD1-CB 3.65Å; L269-F548 HydrophobicContact CD2-CB 3.85Å; L269-F548 HydrophobicContact CD2-CD1 4.05Å; L269-F548 HydrophobicContact CD2-CG 4.31Å; L269-F548 HydrophobicContact CG-CB 4.36Å; L269-E549 HydrophobicContact CD1-CB 4.38Å; L269-E549 HydrophobicContact CD1-CG 3.72Å; L269-V552 HydrophobicContact CD1-CG2 4.12Å; L269-V552 HydrophobicContact CD2-CG2 4.1Å; L269-V552 HydrophobicContact CG-CG2 4.34Å
270	R	93.7	Very high	92.2	Very high	119 Å²	119	42.1 Å²	42.1	45%	0.449	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	128.4	176.2	-179.9	179.5	61.6	150.4	0.1	110	V272 H277 Y279	R270-V272 HydrophobicContact CG-CG2 4.04Å; R270-H277 PolarHBondContact N-O 3.1Å; R270-H277 VanDerWaalsContact N-O 3.11Å; R270-H277 PolarHBondContact O-N 3.05Å; R270-Y279 HydrophobicContact CB-CE2 4.05Å; R270-Y279 PolarHBondContact NH2-OH 3.06Å
271	M	94.6	Very high	92.2	Very high	10 Å²	10	43.9 Å²	43.9	5%	0.049	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	131.1	168.7	-167.6	163.1	-76.6	0	0	109.9	V275 V276 Q537 L540 E541 F544	M271-V275 CarbonylContact C-O 3.44Å; M271-V275 VanDerWaalsContact CA-O 3.32Å; M271-V275 WeakPolarHBondContact CA-O 3.4Å; M271-V276 HydrophobicContact CE-CG2 3.39Å; M271-Q537 HydrophobicContact CB-CG 4.46Å; M271-Q537 HydrophobicContact CG-CG 3.87Å; M271-Q537 PolarHBondContact O-NE2 3.28Å; M271-Q537 HydrophobicContact SD-CG 3.61Å; M271-L540 HydrophobicContact CE-CB 3.81Å; M271-L540 HydrophobicContact SD-CB 3.54Å; M271-L540 VanDerWaalsContact SD-CB 3.54Å; M271-E541 HydrophobicContact CB-CG 3.72Å; M271-E541 HydrophobicContact CE-CG 4.33Å; M271-E541 HydrophobicContact CG-CG 4.21Å; M271-E541 HydrophobicContact SD-CB 4.5Å; M271-E541 HydrophobicContact SD-CG 3.63Å; M271-F544 HydrophobicContact CE-CB 4.29Å
272	V	92.9	Very high	91.9	Very high	41 Å²	41	49.9 Å²	49.9	25%	0.248	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	122.5	177.7	-176.4	0	0	0	0	106.5	R270 G274 V275	R270-V272 HydrophobicContact CG-CG2 4.04Å; V272-G274 PolarHBondContact O-N 2.79Å; V272-G274 VanDerWaalsContact O-N 3.13Å; V272-V275 PolarHBondContact N-O 3.14Å; V272-V275 PolarHBondContact O-N 3.13Å
273	R	93.2	Very high	91.4	Very high	152 Å²	152	53.8 Å²	53.8	57%	0.574	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	36.6	-177.5	-54.3	176	176.8	167.1	0.5	113.3	L590 E592 Y608	R273-L590 HydrophobicContact CB-CD1 4.37Å; R273-L590 HydrophobicContact CG-CD1 3.93Å; R273-E592 PolarHBondContact N-OE2 2.9Å; R273-Y608 WeakPolarHBondContact O-CE1 3.32Å
274	G	94.3	Very high	90.6	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.1	7.9	-179.1	0	0	0	0	0	117.3	V272 N612	V272-G274 PolarHBondContact O-N 2.79Å; V272-G274 VanDerWaalsContact O-N 3.13Å; G274-N612 PolarHBondContact O-ND2 2.79Å
275	V	96.4	Very high	89.8	Confident	7 Å²	7	55.9 Å²	55.9	4%	0.042	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	135.5	175.3	-178.3	0	0	0	0	110.1	M271 V272 H277 Y295 Y608 A611 N612 M615	M271-V275 CarbonylContact C-O 3.44Å; M271-V275 VanDerWaalsContact CA-O 3.32Å; M271-V275 WeakPolarHBondContact CA-O 3.4Å; V272-V275 PolarHBondContact N-O 3.14Å; V272-V275 PolarHBondContact O-N 3.13Å; V275-H277 PolarHBondContact O-CD2 3.09Å; V275-H277 VanDerWaalsContact O-CD2 3.24Å; V275-H277 PolarHBondContact O-N 3.14Å; V275-Y295 HydrophobicContact CG1-CD2 4.3Å; V275-Y295 HydrophobicContact CG1-CE2 4.3Å; V275-Y608 HydrophobicContact CG2-CD1 4.28Å; V275-Y608 HydrophobicContact CG2-CE1 4.43Å; V275-A611 HydrophobicContact CG2-CB 4.2Å; V275-N612 WeakPolarHBondContact CA-OD1 3.48Å; V275-M615 HydrophobicContact CG1-SD 3.34Å; V275-M615 WeakPolarHBondContact CG1-SD 3.18Å
276	V	95.8	Very high	88.7	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	109	177.5	-179.4	0	0	0	0	110.9	L269 M271 F544 L545 F548 N612 M615	L269-V276 HydrophobicContact CD2-CG1 4.21Å; M271-V276 HydrophobicContact CE-CG2 3.39Å; V276-F544 HydrophobicContact CG2-CB 4.18Å; V276-L545 HydrophobicContact CB-CD2 4.35Å; V276-L545 HydrophobicContact CG1-CD2 3.72Å; V276-L545 HydrophobicContact CG2-CD2 3.63Å; V276-L545 HydrophobicContact CG2-CG 4.13Å; V276-F548 HydrophobicContact CB-CD2 3.9Å; V276-F548 HydrophobicContact CB-CE1 4.27Å; V276-F548 HydrophobicContact CB-CE2 3.61Å; V276-F548 HydrophobicContact CB-CG 4.36Å; V276-F548 HydrophobicContact CB-CZ 3.8Å; V276-F548 HydrophobicContact CG1-CB 4.36Å; V276-F548 HydrophobicContact CG1-CD1 3.88Å; V276-F548 HydrophobicContact CG1-CD2 3.8Å; V276-F548 HydrophobicContact CG1-CE1 4.03Å; V276-F548 HydrophobicContact CG1-CE2 3.95Å; V276-F548 HydrophobicContact CG1-CG 3.77Å; V276-F548 HydrophobicContact CG1-CZ 4.05Å; V276-F548 HydrophobicContact CG2-CD2 3.89Å; V276-F548 HydrophobicContact CG2-CE2 3.8Å; V276-F548 HydrophobicContact CG2-CZ 4.49Å; V276-N612 WeakPolarHBondContact CG2-OD1 3.48Å; V276-N612 PolarHBondContact N-OD1 2.85Å; V276-M615 VanDerWaalsContact O-CE 3.26Å; V276-M615 WeakPolarHBondContact O-CE 3.22Å; V276-M615 VanDerWaalsContact O-SD 3.37Å
277	H	93.9	Very high	87.8	Confident	20 Å²	20	68.2 Å²	68.2	9%	0.093	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	142.4	171.1	-66.2	-97.7	0	0	0	110.8	R270 V275 Y279 E290	R270-H277 PolarHBondContact N-O 3.1Å; R270-H277 VanDerWaalsContact N-O 3.11Å; R270-H277 PolarHBondContact O-N 3.05Å; V275-H277 PolarHBondContact O-CD2 3.09Å; V275-H277 VanDerWaalsContact O-CD2 3.24Å; V275-H277 PolarHBondContact O-N 3.14Å; H277-Y279 HydrophobicContact CB-CE2 3.61Å; H277-Y279 VanDerWaalsContact CB-OH 3.29Å; H277-Y279 WeakPolarHBondContact CB-OH 3.48Å; H277-E290 HydrophobicContact CB-CG 4.41Å; H277-E290 IonicContact CE1-OE1 3.44Å; H277-E290 IonicContact CG-OE1 3.35Å; H277-E290 IonicContact CG-OE2 2.64Å; H277-E290 VanDerWaalsContact ND1-CD 3.27Å; H277-E290 IonicContact ND1-OE1 3.65Å; H277-E290 PolarHBondContact ND1-OE1 3.46Å; H277-E290 IonicContact ND1-OE2 3.76Å; H277-E290 PolarHBondContact ND1-OE2 2.71Å
278	V	93.2	Very high	87.2	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	127.8	-173.4	-176.7	0	0	0	0	109.5	L267 G268 L269 E290 V291 L293 F548	L267-V278 HydrophobicContact CB-CG1 4.11Å; L267-V278 HydrophobicContact CD1-CG1 3.85Å; L267-V278 HydrophobicContact CG-CG1 4.42Å; G268-V278 WeakPolarHBondContact O-CA 3.43Å; L269-V278 HydrophobicContact CD2-CB 4.47Å; L269-V278 HydrophobicContact CD2-CG1 4.29Å; L269-V278 HydrophobicContact CD2-CG2 3.93Å; V278-E290 VanDerWaalsContact O-CG 3.29Å; V278-E290 WeakPolarHBondContact O-CG 3.31Å; V278-V291 HydrophobicContact CB-CB 4.36Å; V278-V291 HydrophobicContact CG1-CB 4.33Å; V278-V291 HydrophobicContact CG1-CG2 4.26Å; V278-V291 PolarHBondContact O-N 3.25Å; V278-L293 HydrophobicContact CB-CD1 4.32Å; V278-L293 HydrophobicContact CG2-CD1 3.88Å; V278-F548 HydrophobicContact CG2-CD1 4.07Å; V278-F548 HydrophobicContact CG2-CE1 3.97Å
279	Y	92.9	Very high	86.7	Confident	13 Å²	13	70.9 Å²	70.9	5%	0.051	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	149.3	-171.9	-64.9	-82.3	0	0	0	112.4	L267 G268 R270 H277 R281 P284 C288 E290	L267-Y279 CarbonylContact C-O 3.54Å; L267-Y279 VanDerWaalsContact CA-O 3.25Å; L267-Y279 WeakPolarHBondContact CA-O 3.45Å; L267-Y279 WeakPolarHBondContact CB-O 3.43Å; L267-Y279 WeakPolarHBondContact CD2-O 3.44Å; G268-Y279 PolarHBondContact N-O 3.48Å; G268-Y279 PolarHBondContact O-N 2.82Å; R270-Y279 HydrophobicContact CB-CE2 4.05Å; R270-Y279 PolarHBondContact NH2-OH 3.06Å; H277-Y279 HydrophobicContact CB-CE2 3.61Å; H277-Y279 VanDerWaalsContact CB-OH 3.29Å; H277-Y279 WeakPolarHBondContact CB-OH 3.48Å; Y279-R281 PolarHBondContact O-N 3.09Å; Y279-P284 HydrophobicContact CD1-CB 4.06Å; Y279-P284 HydrophobicContact CD2-CB 3.94Å; Y279-P284 HydrophobicContact CD2-CG 4.04Å; Y279-P284 HydrophobicContact CG-CB 3.64Å; Y279-P284 HydrophobicContact CG-CG 4.24Å; Y279-C288 HydrophobicContact CD1-CB 4.49Å; Y279-E290 HydrophobicContact CD1-CB 4.07Å; Y279-E290 HydrophobicContact CD1-CG 4.17Å; Y279-E290 HydrophobicContact CE1-CB 3.79Å; Y279-E290 HydrophobicContact CE1-CG 3.75Å; Y279-E290 WeakPolarHBondContact CE1-OE2 3.46Å; Y279-E290 VanDerWaalsContact CZ-OE2 3.3Å; Y279-E290 PolarHBondContact OH-OE2 2.88Å
280	T	89.1	Confident	86.4	Confident	66 Å²	66	72.7 Å²	72.7	41%	0.405	34%	0.342	S	S	.	.	S	Bend	trans	-68.8	-0.7	-178.2	53	0	0	0	0	115.5	P289 V291	T280-P289 HydrophobicContact CG2-CG 4.43Å; T280-P289 WeakPolarHBondContact CG2-O 3.49Å; T280-P289 PolarHBondContact N-O 3.22Å; T280-P289 VanDerWaalsContact N-O 3.13Å; T280-P289 WeakPolarHBondContact OG1-CD 3.29Å; T280-P289 WeakPolarHBondContact OG1-CG 3.37Å; T280-P289 PolarHBondContact OG1-O 3.04Å; T280-V291 HydrophobicContact CG2-CG2 4.03Å
281	R	84.9	Confident	86	Confident	141 Å²	141	68.6 Å²	68.6	53%	0.532	33%	0.33	S	S	.	.	S	Bend	trans	-141.2	143.6	174.2	-57.1	178.6	-176.8	169.7	1.7	109.9	G268 Y279 D283 D285	G268-R281 WeakPolarHBondContact CA-O 3.39Å; G268-R281 PolarHBondContact N-O 3.32Å; G268-R281 VanDerWaalsContact N-O 3.09Å; Y279-R281 PolarHBondContact O-N 3.09Å; R281-D283 VanDerWaalsContact C-N 3.3Å; R281-D283 PolarHBondContact O-N 3.47Å; R281-D285 IonicContact NH1-OD2 2.84Å
282	R	80.8	Confident	85.7	Confident	146 Å²	146	75 Å²	75	55%	0.551	36%	0.36	S	S	*	.	S	Bend	trans	-46.8	-49.2	176.4	-61.2	-172.8	-164.7	-118.3	-4.7	113.7	D264 G266 G268 P284	D264-R282 IonicContact OD1-NH2 3.9Å; D264-R282 IonicContact OD2-CZ 3.07Å; D264-R282 IonicContact OD2-NH1 2.81Å; D264-R282 PolarHBondContact OD2-NH1 3.05Å; D264-R282 IonicContact OD2-NH2 2.66Å; D264-R282 PolarHBondContact OD2-NH2 2.95Å; G266-R282 WeakPolarHBondContact O-CG 3.2Å; G266-R282 PolarHBondContact O-N 3.18Å; G266-R282 VanDerWaalsContact O-N 3.14Å; G268-R282 VanDerWaalsContact CA-O 3.28Å; G268-R282 WeakPolarHBondContact CA-O 3.46Å; R282-P284 WeakPolarHBondContact O-CD 3.32Å
283	D	80.7	Confident	85.5	Confident	135 Å²	135	73.5 Å²	73.5	72%	0.722	35%	0.351	S	S	*	.	S	Bend	trans	-101.7	99.6	177.7	-53.6	-70.9	0	0	0	109	R281 D285	R281-D283 VanDerWaalsContact C-N 3.3Å; R281-D283 PolarHBondContact O-N 3.47Å; D283-D285 PolarHBondContact O-N 3.01Å
284	P	75.5	Confident	85.3	Confident	40 Å²	40	67.9 Å²	67.9	26%	0.26	33%	0.334	S	S	.	.			trans	-83.1	101.5	-178.4	31.3	-34.8	0	0	0	112.1	Y279 R282 C288	Y279-P284 HydrophobicContact CD1-CB 4.06Å; Y279-P284 HydrophobicContact CD2-CB 3.94Å; Y279-P284 HydrophobicContact CD2-CG 4.04Å; Y279-P284 HydrophobicContact CG-CB 3.64Å; Y279-P284 HydrophobicContact CG-CG 4.24Å; R282-P284 WeakPolarHBondContact O-CD 3.32Å; P284-C288 HydrophobicContact CB-CB 4Å
285	D	75.2	Confident	85.1	Confident	104 Å²	104	71.4 Å²	71.4	56%	0.556	35%	0.348	S	S	*	.			trans	-54.6	158.3	157.2	-57.4	-55.1	0	0	0	110.6	R281 D283 H287 C288	R281-D285 IonicContact NH1-OD2 2.84Å; D283-D285 PolarHBondContact O-N 3.01Å; D285-H287 PolarHBondContact O-N 2.92Å; D285-C288 VanDerWaalsContact O-CB 3.22Å; D285-C288 WeakPolarHBondContact O-CB 3.37Å; D285-C288 PolarHBondContact O-N 3.14Å
286	E	67.5	Low	84.7	Confident	192 Å²	192	71.1 Å²	71.1	90%	0.897	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-19.2	174.2	-63.8	-175.7	142.5	0	0	114.5
287	H	70.9	Confident	84.4	Confident	172 Å²	172	75 Å²	75	80%	0.796	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.5	8	-178.6	-63.8	63.9	0	0	0	113	D285	D285-H287 PolarHBondContact O-N 2.92Å
288	C	77.9	Confident	84.3	Confident	11 Å²	11	75.5 Å²	75.5	7%	0.074	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-74.6	124.2	177.7	-167.9	0	0	0	0	110.3	Y279 P284 D285 E290	Y279-C288 HydrophobicContact CD1-CB 4.49Å; P284-C288 HydrophobicContact CB-CB 4Å; D285-C288 VanDerWaalsContact O-CB 3.22Å; D285-C288 WeakPolarHBondContact O-CB 3.37Å; D285-C288 PolarHBondContact O-N 3.14Å; C288-E290 PolarHBondContact O-N 2.81Å
289	P	82.8	Confident	84.2	Confident	80 Å²	80	81.8 Å²	81.8	52%	0.519	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-69.2	132.9	179	23.6	-26.1	0	0	0	110.7	T280	T280-P289 HydrophobicContact CG2-CG 4.43Å; T280-P289 WeakPolarHBondContact CG2-O 3.49Å; T280-P289 PolarHBondContact N-O 3.22Å; T280-P289 VanDerWaalsContact N-O 3.13Å; T280-P289 WeakPolarHBondContact OG1-CD 3.29Å; T280-P289 WeakPolarHBondContact OG1-CG 3.37Å; T280-P289 PolarHBondContact OG1-O 3.04Å
290	E	87.6	Confident	84.1	Confident	77 Å²	77	82.9 Å²	82.9	36%	0.36	41%	0.405	S	S	.	.	B	Isolated β-bridge	trans	-76.7	152.9	175.8	-160	171.8	116.7	0	0	111	H277 V278 Y279 C288	H277-E290 HydrophobicContact CB-CG 4.41Å; H277-E290 IonicContact CE1-OE1 3.44Å; H277-E290 IonicContact CG-OE1 3.35Å; H277-E290 IonicContact CG-OE2 2.64Å; H277-E290 VanDerWaalsContact ND1-CD 3.27Å; H277-E290 IonicContact ND1-OE1 3.65Å; H277-E290 PolarHBondContact ND1-OE1 3.46Å; H277-E290 IonicContact ND1-OE2 3.76Å; H277-E290 PolarHBondContact ND1-OE2 2.71Å; V278-E290 VanDerWaalsContact O-CG 3.29Å; V278-E290 WeakPolarHBondContact O-CG 3.31Å; Y279-E290 HydrophobicContact CD1-CB 4.07Å; Y279-E290 HydrophobicContact CD1-CG 4.17Å; Y279-E290 HydrophobicContact CE1-CB 3.79Å; Y279-E290 HydrophobicContact CE1-CG 3.75Å; Y279-E290 WeakPolarHBondContact CE1-OE2 3.46Å; Y279-E290 VanDerWaalsContact CZ-OE2 3.3Å; Y279-E290 PolarHBondContact OH-OE2 2.88Å; C288-E290 PolarHBondContact O-N 2.81Å
291	V	86.9	Confident	84.4	Confident	34 Å²	34	79.9 Å²	79.9	21%	0.206	39%	0.386	C	S	.	.			trans	-89.9	108.7	170.9	-177.4	0	0	0	0	107.6	L267 V278 T280 L293	L267-V291 HydrophobicContact CD2-CG2 4.24Å; V278-V291 HydrophobicContact CB-CB 4.36Å; V278-V291 HydrophobicContact CG1-CB 4.33Å; V278-V291 HydrophobicContact CG1-CG2 4.26Å; V278-V291 PolarHBondContact O-N 3.25Å; T280-V291 HydrophobicContact CG2-CG2 4.03Å; V291-L293 HydrophobicContact CG1-CD2 4.08Å; V291-L293 HydrophobicContact CG1-CG 4.19Å; V291-L293 PolarHBondContact O-N 2.76Å
292	E	86.6	Confident	84.7	Confident	144 Å²	144	73.7 Å²	73.7	67%	0.673	36%	0.364	S	S	*	.			trans	-63.5	95.1	178.2	-66.1	-178.9	165	0	0	111.2	T49	T49-E292 HydrophobicContact CG2-CB 4.04Å
293	L	88.9	Confident	85.2	Confident	10 Å²	10	69.2 Å²	69.2	5%	0.052	36%	0.358	C	S	.	.			trans	-104.7	131.8	169.9	-58.8	177.4	0	0	0	108.6	V278 V291 Y295 M615 H618 L619	V278-L293 HydrophobicContact CB-CD1 4.32Å; V278-L293 HydrophobicContact CG2-CD1 3.88Å; V291-L293 HydrophobicContact CG1-CD2 4.08Å; V291-L293 HydrophobicContact CG1-CG 4.19Å; V291-L293 PolarHBondContact O-N 2.76Å; L293-Y295 WeakPolarHBondContact O-CD1 3.08Å; L293-M615 HydrophobicContact CB-CB 4.38Å; L293-M615 HydrophobicContact CB-CE 4.07Å; L293-M615 HydrophobicContact CB-CG 4.37Å; L293-M615 HydrophobicContact CD1-CB 4.49Å; L293-H618 HydrophobicContact CD2-CB 4.2Å; L293-L619 HydrophobicContact CD1-CB 4.08Å
294	P	89.1	Confident	85.8	Confident	34 Å²	34	63.4 Å²	63.4	22%	0.221	33%	0.327	C	S	.	.			trans	-77.5	138.3	-175.4	30	-33	0	0	0	112.1	L203 H618	L203-P294 HydrophobicContact CD2-CB 4.19Å; P294-H618 PolarHBondContact O-CD2 2.98Å
295	Y	89.5	Confident	86.5	Confident	74 Å²	74	62.3 Å²	62.3	29%	0.29	32%	0.32	S	S	.	.			trans	-149.6	165.1	176.3	70.4	-86.8	0	0	0	108.4	V275 L293 A611 M615	V275-Y295 HydrophobicContact CG1-CD2 4.3Å; V275-Y295 HydrophobicContact CG1-CE2 4.3Å; L293-Y295 WeakPolarHBondContact O-CD1 3.08Å; Y295-A611 HydrophobicContact CD2-CB 4.48Å; Y295-M615 HydrophobicContact CD1-CE 4.03Å; Y295-M615 HydrophobicContact CD1-CG 3.92Å; Y295-M615 HydrophobicContact CD1-SD 3.49Å; Y295-M615 WeakPolarHBondContact CD1-SD 3.17Å; Y295-M615 HydrophobicContact CE1-CE 4.3Å; Y295-M615 HydrophobicContact CE1-SD 4.03Å; Y295-M615 HydrophobicContact CG-CG 4.03Å; Y295-M615 HydrophobicContact CG-SD 3.85Å
296	P	89.2	Confident	87.2	Confident	1 Å²	1	58.9 Å²	58.9	1%	0.006	30%	0.301	C	S	.	.			trans	-74.2	140.5	-180	33.1	-35.9	0	0	0	111.2	Y200 L203 Y607 F610 A611	Y200-P296 HydrophobicContact CD1-CB 4.21Å; Y200-P296 HydrophobicContact CE1-CB 3.61Å; Y200-P296 HydrophobicContact CE1-CG 4.47Å; L203-P296 HydrophobicContact CD1-CB 4.43Å; P296-Y607 HydrophobicContact CB-CE2 4.39Å; P296-Y607 HydrophobicContact CG-CE2 3.97Å; P296-Y607 PolarHBondContact O-OH 2.83Å; P296-F610 HydrophobicContact CB-CE1 4.41Å; P296-F610 HydrophobicContact CG-CD1 3.73Å; P296-F610 HydrophobicContact CG-CE1 3.72Å; P296-A611 HydrophobicContact CG-CB 4.21Å
297	D	89.3	Confident	88.3	Confident	80 Å²	80	50.6 Å²	50.6	43%	0.428	26%	0.264	S	S	.	.			trans	-77.1	145.9	169	173.2	77.5	0	0	0	111.2	Q299 E300 F301	D297-Q299 WeakPolarHBondContact OD2-CA 3.44Å; D297-Q299 VanDerWaalsContact OD2-CB 3.28Å; D297-Q299 WeakPolarHBondContact OD2-CB 3.34Å; D297-Q299 PolarHBondContact OD2-N 3.47Å; D297-E300 HydrophobicContact CB-CB 4.01Å; D297-E300 PolarHBondContact O-N 2.92Å; D297-E300 PolarHBondContact OD2-N 3.25Å; D297-F301 WeakPolarHBondContact O-CB 3.24Å; D297-F301 PolarHBondContact O-N 3.43Å
298	L	91.9	Very high	89.3	Confident	31 Å²	31	42.6 Å²	42.6	16%	0.162	23%	0.227	C	C	.	.	H	α-helix	trans	-69.8	-37.4	-176.6	179.6	57.4	0	0	0	112.7	F301 V302 F584 L586 L590 Y607	L298-F301 PolarHBondContact O-N 3.21Å; L298-V302 HydrophobicContact CD1-CG2 4.06Å; L298-V302 WeakPolarHBondContact O-CB 3.45Å; L298-V302 WeakPolarHBondContact O-CG2 3.43Å; L298-V302 PolarHBondContact O-N 3.48Å; L298-F584 HydrophobicContact CD1-CE1 4.02Å; L298-F584 HydrophobicContact CD1-CE2 3.94Å; L298-F584 HydrophobicContact CD1-CZ 3.34Å; L298-L586 HydrophobicContact CG-CD2 4.1Å; L298-L590 HydrophobicContact CD2-CD2 4.38Å; L298-Y607 WeakPolarHBondContact CA-OH 3.47Å; L298-Y607 WeakPolarHBondContact CB-OH 3.38Å; L298-Y607 HydrophobicContact CD1-CD1 4.26Å; L298-Y607 HydrophobicContact CD1-CE1 3.89Å; L298-Y607 HydrophobicContact CD1-CE2 4.26Å; L298-Y607 PolarHBondContact N-OH 3.32Å
299	Q	91.7	Very high	89.9	Confident	133 Å²	133	42.5 Å²	42.5	62%	0.621	23%	0.225	S	C	*	.	H	α-helix	trans	-70.8	-37.8	177.1	176.8	175.3	9.6	0	0	110.9	D297 A303 L586	D297-Q299 WeakPolarHBondContact OD2-CA 3.44Å; D297-Q299 VanDerWaalsContact OD2-CB 3.28Å; D297-Q299 WeakPolarHBondContact OD2-CB 3.34Å; D297-Q299 PolarHBondContact OD2-N 3.47Å; Q299-A303 VanDerWaalsContact O-CB 3.3Å; Q299-A303 WeakPolarHBondContact O-CB 3.05Å; Q299-A303 PolarHBondContact O-N 3.36Å; Q299-L586 HydrophobicContact CB-CD1 4.34Å; Q299-L586 HydrophobicContact CB-CD2 4.04Å; Q299-L586 HydrophobicContact CG-CD1 4.07Å
300	E	90.8	Very high	90.2	Very high	36 Å²	36	38.7 Å²	38.7	17%	0.168	20%	0.201	C	C	.	.	H	α-helix	trans	-64.2	-45.5	172	-167.2	170.6	172.3	0	0	111.9	K199 D297 A303 D304	K199-E300 WeakPolarHBondContact CD-OE1 3.38Å; K199-E300 WeakPolarHBondContact CE-OE1 3.42Å; K199-E300 IonicContact NZ-OE1 2.74Å; K199-E300 PolarHBondContact NZ-OE1 2.96Å; D297-E300 HydrophobicContact CB-CB 4.01Å; D297-E300 PolarHBondContact O-N 2.92Å; D297-E300 PolarHBondContact OD2-N 3.25Å; E300-A303 PolarHBondContact O-N 3.07Å; E300-D304 PolarHBondContact O-N 3.27Å
301	F	94	Very high	90.3	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.009	19%	0.185	C	C	.	.	H	α-helix	trans	-60.2	-50.7	176.6	175.6	-100.4	0	0	0	112.8	Y200 D297 L298 A303 D304 V305 F584 Y607 M648 L649	Y200-F301 HydrophobicContact CE1-CD2 4.1Å; Y200-F301 WeakPolarHBondContact OH-CA 3.43Å; D297-F301 WeakPolarHBondContact O-CB 3.24Å; D297-F301 PolarHBondContact O-N 3.43Å; L298-F301 PolarHBondContact O-N 3.21Å; F301-A303 VanDerWaalsContact C-N 3.26Å; F301-A303 PolarHBondContact O-N 2.87Å; F301-D304 PolarHBondContact O-N 2.79Å; F301-V305 HydrophobicContact CD1-CG2 4.25Å; F301-V305 HydrophobicContact CD2-CG2 4.25Å; F301-V305 HydrophobicContact CE1-CG2 3.76Å; F301-V305 HydrophobicContact CE2-CG2 3.76Å; F301-V305 HydrophobicContact CG-CG2 4.47Å; F301-V305 HydrophobicContact CZ-CG2 3.5Å; F301-V305 WeakPolarHBondContact O-CG2 3.37Å; F301-V305 PolarHBondContact O-N 2.9Å; F301-F584 HydrophobicContact CD1-CD1 4.43Å; F301-F584 AromaticContact CD1-CE1 3.96Å; F301-F584 HydrophobicContact CD1-CE1 3.96Å; F301-F584 AromaticContact CE1-CD1 3.77Å; F301-F584 HydrophobicContact CE1-CD1 3.77Å; F301-F584 AromaticContact CE1-CE1 3.61Å; F301-F584 HydrophobicContact CE1-CE1 3.61Å; F301-Y607 HydrophobicContact CB-CD2 3.9Å; F301-Y607 HydrophobicContact CB-CE2 3.76Å; F301-Y607 AromaticContact CD1-CD2 3.52Å; F301-Y607 HydrophobicContact CD1-CD2 3.52Å; F301-Y607 HydrophobicContact CD1-CE2 4.16Å; F301-Y607 HydrophobicContact CD1-CG 4.11Å; F301-Y607 AromaticContact CD2-CD2 3.89Å; F301-Y607 HydrophobicContact CD2-CD2 3.89Å; F301-Y607 HydrophobicContact CE1-CD2 4.01Å; F301-Y607 HydrophobicContact CE1-CG 4.25Å; F301-Y607 HydrophobicContact CE2-CD2 4.34Å; F301-Y607 AromaticContact CG-CD2 3.46Å; F301-Y607 HydrophobicContact CG-CD2 3.46Å; F301-Y607 VanDerWaalsContact CG-CD2 3.46Å; F301-Y607 AromaticContact CG-CE2 3.89Å; F301-Y607 HydrophobicContact CG-CE2 3.89Å; F301-Y607 HydrophobicContact CG-CG 4.45Å; F301-Y607 HydrophobicContact CZ-CD2 4.38Å; F301-M648 HydrophobicContact CD2-CE 3.47Å; F301-M648 VanDerWaalsContact CD2-CE 3.47Å; F301-M648 HydrophobicContact CE2-CE 3.62Å; F301-M648 HydrophobicContact CE2-SD 4.16Å; F301-M648 HydrophobicContact CG-CE 4.46Å; F301-L649 HydrophobicContact CD2-CD2 4.27Å; F301-L649 HydrophobicContact CE2-CD1 3.74Å; F301-L649 HydrophobicContact CE2-CD2 3.95Å; F301-L649 HydrophobicContact CE2-CG 4.02Å; F301-L649 HydrophobicContact CZ-CD1 4.14Å
302	V	92.1	Very high	90.3	Very high	12 Å²	12	34.2 Å²	34.2	7%	0.073	18%	0.178	C	C	.	.	H	α-helix	trans	-63.1	-34	178.2	172.4	0	0	0	0	111.1	L298 N306 L586	L298-V302 HydrophobicContact CD1-CG2 4.06Å; L298-V302 WeakPolarHBondContact O-CB 3.45Å; L298-V302 WeakPolarHBondContact O-CG2 3.43Å; L298-V302 PolarHBondContact O-N 3.48Å; V302-N306 WeakPolarHBondContact O-CB 3.29Å; V302-N306 VanDerWaalsContact O-CG 3.28Å; V302-N306 PolarHBondContact O-N 3.03Å; V302-N306 VanDerWaalsContact O-N 3.14Å; V302-N306 PolarHBondContact O-ND2 3.48Å; V302-L586 HydrophobicContact CB-CG 4.31Å; V302-L586 HydrophobicContact CG1-CG 4.24Å; V302-L586 HydrophobicContact CG2-CG 4.41Å
303	A	90.8	Very high	90.2	Very high	52 Å²	52	29.3 Å²	29.3	43%	0.43	16%	0.156	S	C	.	.	H	α-helix	trans	-66.6	-46.8	174.3	0	0	0	0	0	112.5	Q299 E300 F301 N306 V307	Q299-A303 VanDerWaalsContact O-CB 3.3Å; Q299-A303 WeakPolarHBondContact O-CB 3.05Å; Q299-A303 PolarHBondContact O-N 3.36Å; E300-A303 PolarHBondContact O-N 3.07Å; F301-A303 VanDerWaalsContact C-N 3.26Å; F301-A303 PolarHBondContact O-N 2.87Å; A303-N306 PolarHBondContact O-N 2.77Å; A303-V307 WeakPolarHBondContact O-CG2 3.11Å; A303-V307 PolarHBondContact O-N 3.45Å; A303-V307 VanDerWaalsContact O-N 3.1Å
304	D	92.8	Very high	90.1	Very high	12 Å²	12	30.1 Å²	30.1	6%	0.064	16%	0.16	C	C	.	.	H	α-helix	trans	-63.8	-42.6	177.9	-72.4	-39.3	0	0	0	112.2	I196 K199 Y200 E300 F301 N306 V307 L308 M648	I196-D304 HydrophobicContact CD1-CB 4.36Å; I196-D304 HydrophobicContact CG2-CB 4.03Å; K199-D304 WeakPolarHBondContact CE-OD2 3.11Å; K199-D304 IonicContact NZ-OD1 3.64Å; K199-D304 PolarHBondContact NZ-OD1 3.41Å; K199-D304 IonicContact NZ-OD2 3.86Å; K199-D304 PolarHBondContact NZ-OD2 3.4Å; Y200-D304 HydrophobicContact CE2-CB 4.34Å; Y200-D304 WeakPolarHBondContact CE2-OD2 3.43Å; Y200-D304 PolarHBondContact OH-OD2 3.44Å; E300-D304 PolarHBondContact O-N 3.27Å; F301-D304 PolarHBondContact O-N 2.79Å; D304-N306 PolarHBondContact O-N 2.65Å; D304-V307 WeakPolarHBondContact O-CB 3.32Å; D304-V307 PolarHBondContact O-N 3.18Å; D304-L308 WeakPolarHBondContact O-CG 3.48Å; D304-L308 PolarHBondContact O-N 3.15Å; D304-M648 HydrophobicContact CB-CE 3.47Å; D304-M648 VanDerWaalsContact CB-CE 3.47Å; D304-M648 HydrophobicContact CB-SD 4.33Å
305	V	91.3	Very high	90.1	Very high	18 Å²	18	30.2 Å²	30.2	11%	0.109	17%	0.168	C	C	.	.	H	α-helix	trans	-57.5	-48.9	174.6	169.9	0	0	0	0	110.3	F301 V307 L308 M309 V644 M648	F301-V305 HydrophobicContact CD1-CG2 4.25Å; F301-V305 HydrophobicContact CD2-CG2 4.25Å; F301-V305 HydrophobicContact CE1-CG2 3.76Å; F301-V305 HydrophobicContact CE2-CG2 3.76Å; F301-V305 HydrophobicContact CG-CG2 4.47Å; F301-V305 HydrophobicContact CZ-CG2 3.5Å; F301-V305 WeakPolarHBondContact O-CG2 3.37Å; F301-V305 PolarHBondContact O-N 2.9Å; V305-V307 VanDerWaalsContact C-N 3.29Å; V305-V307 PolarHBondContact O-N 3.26Å; V305-L308 PolarHBondContact O-N 3.14Å; V305-L308 VanDerWaalsContact O-N 3.13Å; V305-M309 HydrophobicContact CG1-CG 3.94Å; V305-M309 WeakPolarHBondContact O-CB 3.08Å; V305-M309 WeakPolarHBondContact O-CG 3.45Å; V305-M309 PolarHBondContact O-N 3.24Å; V305-V644 HydrophobicContact CG1-CG1 4.39Å; V305-M648 HydrophobicContact CB-SD 4.36Å; V305-M648 HydrophobicContact CG2-CE 3.99Å; V305-M648 HydrophobicContact CG2-SD 3.47Å; V305-M648 WeakPolarHBondContact CG2-SD 3.48Å
306	N	90	Very high	90	Very high	32 Å²	32	30.5 Å²	30.5	17%	0.171	18%	0.179	C	C	.	.	H	α-helix	trans	-61.8	-34.8	179.6	-75.2	-45.8	0	0	0	112.8	A72 V302 A303 D304 A310	A72-N306 HydrophobicContact CB-CB 4.14Å; A72-N306 WeakPolarHBondContact CB-OD1 3.46Å; V302-N306 WeakPolarHBondContact O-CB 3.29Å; V302-N306 VanDerWaalsContact O-CG 3.28Å; V302-N306 PolarHBondContact O-N 3.03Å; V302-N306 VanDerWaalsContact O-N 3.14Å; V302-N306 PolarHBondContact O-ND2 3.48Å; A303-N306 PolarHBondContact O-N 2.77Å; D304-N306 PolarHBondContact O-N 2.65Å; N306-A310 WeakPolarHBondContact O-CB 3.49Å; N306-A310 PolarHBondContact O-N 2.95Å; N306-A310 VanDerWaalsContact O-N 3.09Å
307	V	91.1	Very high	90	Very high	18 Å²	18	30.6 Å²	30.6	11%	0.109	18%	0.179	C	C	.	.	H	α-helix	trans	-63	-48.9	172.5	168.7	0	0	0	0	110.8	C68 I196 A303 D304 V305 M309 A310 L311	C68-V307 HydrophobicContact CB-CG2 4.43Å; I196-V307 HydrophobicContact CD1-CB 4.47Å; I196-V307 HydrophobicContact CD1-CG1 4.05Å; A303-V307 WeakPolarHBondContact O-CG2 3.11Å; A303-V307 PolarHBondContact O-N 3.45Å; A303-V307 VanDerWaalsContact O-N 3.1Å; D304-V307 WeakPolarHBondContact O-CB 3.32Å; D304-V307 PolarHBondContact O-N 3.18Å; V305-V307 VanDerWaalsContact C-N 3.29Å; V305-V307 PolarHBondContact O-N 3.26Å; V307-M309 PolarHBondContact O-N 3.01Å; V307-A310 PolarHBondContact O-N 3.41Å; V307-L311 HydrophobicContact CG1-CD1 3.87Å; V307-L311 WeakPolarHBondContact O-CD1 3.48Å; V307-L311 VanDerWaalsContact O-CG 3.23Å; V307-L311 WeakPolarHBondContact O-CG 3.27Å; V307-L311 PolarHBondContact O-N 2.79Å
308	L	92.2	Very high	90.1	Very high	3 Å²	3	31.1 Å²	31.1	2%	0.016	18%	0.178	C	C	.	.	H	α-helix	trans	-66	-34.9	178.4	-65.7	-178.5	0	0	0	113.5	A193 I196 D304 V305 L311 I312 V644 F647 M648	A193-L308 HydrophobicContact CB-CD2 3.44Å; A193-L308 VanDerWaalsContact CB-CD2 3.44Å; I196-L308 HydrophobicContact CD1-CD2 4.27Å; I196-L308 HydrophobicContact CD1-CG 4.4Å; I196-L308 HydrophobicContact CG2-CD1 4.23Å; D304-L308 WeakPolarHBondContact O-CG 3.48Å; D304-L308 PolarHBondContact O-N 3.15Å; V305-L308 PolarHBondContact O-N 3.14Å; V305-L308 VanDerWaalsContact O-N 3.13Å; L308-L311 HydrophobicContact CD2-CD1 3.86Å; L308-L311 WeakPolarHBondContact O-CB 3.43Å; L308-L311 PolarHBondContact O-N 3.44Å; L308-I312 VanDerWaalsContact O-CD1 3.29Å; L308-I312 WeakPolarHBondContact O-CD1 3.4Å; L308-I312 WeakPolarHBondContact O-CG1 3.27Å; L308-I312 PolarHBondContact O-N 2.99Å; L308-V644 HydrophobicContact CB-CG1 3.52Å; L308-V644 HydrophobicContact CD1-CG1 3.88Å; L308-V644 HydrophobicContact CG-CG1 4.38Å; L308-F647 HydrophobicContact CD1-CD1 3.81Å; L308-F647 HydrophobicContact CD1-CE1 4.3Å; L308-F647 HydrophobicContact CD2-CD1 4.48Å; L308-F647 HydrophobicContact CD2-CE1 4.31Å; L308-M648 HydrophobicContact CD1-CG 3.38Å; L308-M648 HydrophobicContact CD1-SD 3.66Å
309	M	89.5	Confident	90	Very high	9 Å²	9	32.8 Å²	32.8	4%	0.044	19%	0.192	C	C	.	.	H	α-helix	trans	-63.2	-47	174.7	-68.2	-81.8	-84	0	0	111.1	A72 L75 V305 V307 L311 I312 I313 H641 V644	A72-M309 HydrophobicContact CB-CB 3.59Å; A72-M309 HydrophobicContact CB-CG 4.27Å; L75-M309 HydrophobicContact CB-CE 4.1Å; L75-M309 HydrophobicContact CD2-CE 3.73Å; L75-M309 HydrophobicContact CD2-SD 3.61Å; L75-M309 HydrophobicContact CG-CE 4.38Å; V305-M309 HydrophobicContact CG1-CG 3.94Å; V305-M309 WeakPolarHBondContact O-CB 3.08Å; V305-M309 WeakPolarHBondContact O-CG 3.45Å; V305-M309 PolarHBondContact O-N 3.24Å; V307-M309 PolarHBondContact O-N 3.01Å; M309-L311 VanDerWaalsContact C-N 3.35Å; M309-L311 PolarHBondContact O-N 2.89Å; M309-I312 PolarHBondContact O-N 2.97Å; M309-I313 PolarHBondContact O-N 2.81Å; M309-H641 HydrophobicContact CE-CB 3.72Å; M309-H641 HydrophobicContact SD-CB 3.42Å; M309-H641 WeakPolarHBondContact SD-CB 3.44Å; M309-V644 HydrophobicContact CG-CG1 4.47Å; M309-V644 HydrophobicContact SD-CG2 4.11Å
310	A	88.4	Confident	90	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.008	16%	0.163	C	C	.	.	H	α-helix	trans	-63	-39.5	176.6	0	0	0	0	0	112.7	M64 C68 I71 N306 V307 I312 I313 N314	M64-A310 HydrophobicContact SD-CB 4.31Å; C68-A310 HydrophobicContact CB-CB 4.15Å; I71-A310 HydrophobicContact CB-CB 3.98Å; I71-A310 HydrophobicContact CD1-CB 4.36Å; I71-A310 HydrophobicContact CG2-CB 3.83Å; N306-A310 WeakPolarHBondContact O-CB 3.49Å; N306-A310 PolarHBondContact O-N 2.95Å; N306-A310 VanDerWaalsContact O-N 3.09Å; V307-A310 PolarHBondContact O-N 3.41Å; A310-I312 PolarHBondContact O-N 2.7Å; A310-I313 PolarHBondContact O-N 3.32Å; A310-N314 PolarHBondContact O-N 2.8Å
311	L	89.5	Confident	90.2	Very high	6 Å²	6	25 Å²	25	3%	0.031	16%	0.155	C	C	.	.	H	α-helix	trans	-56.4	-33.1	175.4	-78.5	162.7	0	0	0	113.5	M64 A193 V307 L308 M309 I317	M64-L311 HydrophobicContact CE-CD2 3.6Å; M64-L311 HydrophobicContact CE-CG 3.91Å; A193-L311 HydrophobicContact CB-CD1 4.17Å; V307-L311 HydrophobicContact CG1-CD1 3.87Å; V307-L311 WeakPolarHBondContact O-CD1 3.48Å; V307-L311 VanDerWaalsContact O-CG 3.23Å; V307-L311 WeakPolarHBondContact O-CG 3.27Å; V307-L311 PolarHBondContact O-N 2.79Å; L308-L311 HydrophobicContact CD2-CD1 3.86Å; L308-L311 WeakPolarHBondContact O-CB 3.43Å; L308-L311 PolarHBondContact O-N 3.44Å; M309-L311 VanDerWaalsContact C-N 3.35Å; M309-L311 PolarHBondContact O-N 2.89Å; L311-I317 HydrophobicContact CD2-CD1 3.92Å
312	I	88.5	Confident	90.2	Very high	11 Å²	11	28.7 Å²	28.7	6%	0.056	17%	0.17	C	C	.	.	H	α-helix	trans	-81.7	-31.3	-176.7	-68.4	158.8	0	0	0	112.6	L308 M309 A310 I640 V644 V664 L665	L308-I312 VanDerWaalsContact O-CD1 3.29Å; L308-I312 WeakPolarHBondContact O-CD1 3.4Å; L308-I312 WeakPolarHBondContact O-CG1 3.27Å; L308-I312 PolarHBondContact O-N 2.99Å; M309-I312 PolarHBondContact O-N 2.97Å; A310-I312 PolarHBondContact O-N 2.7Å; I312-I640 HydrophobicContact CG2-CG2 4.44Å; I312-V644 HydrophobicContact CD1-CG2 3.3Å; I312-V664 HydrophobicContact CG1-CB 4.23Å; I312-V664 HydrophobicContact CG1-CG1 4.41Å; I312-L665 HydrophobicContact CD1-CD1 3.59Å; I312-L665 HydrophobicContact CD1-CD2 3.95Å; I312-L665 HydrophobicContact CD1-CG 3.55Å; I312-L665 HydrophobicContact CG1-CD1 4.4Å; I312-L665 HydrophobicContact CG1-CG 4.02Å
313	I	84.4	Confident	90.2	Very high	40 Å²	40	33.7 Å²	33.7	21%	0.205	19%	0.187	C	C	.	.	H	α-helix	trans	-73.7	-36.8	175.3	-66.9	168	0	0	0	111.2	I71 L75 M309 A310 G315	I71-I313 HydrophobicContact CG2-CB 4.06Å; I71-I313 HydrophobicContact CG2-CD1 3.63Å; I71-I313 HydrophobicContact CG2-CG1 4.42Å; I71-I313 HydrophobicContact CG2-CG2 4.28Å; I71-I313 WeakPolarHBondContact O-CD1 3.32Å; L75-I313 HydrophobicContact CB-CD1 3.57Å; L75-I313 HydrophobicContact CB-CG1 4.28Å; L75-I313 HydrophobicContact CD1-CD1 4Å; L75-I313 HydrophobicContact CD1-CG1 3.78Å; L75-I313 HydrophobicContact CG-CD1 4.31Å; M309-I313 PolarHBondContact O-N 2.81Å; A310-I313 PolarHBondContact O-N 3.32Å; I313-G315 PolarHBondContact O-N 3.29Å
314	N	86.8	Confident	90.3	Very high	27 Å²	27	31.8 Å²	31.8	14%	0.144	17%	0.169	C	C	.	.			trans	-51.8	112.7	-171.7	-176.2	-57	0	0	0	112.5	M64 A310 P316 I317 K318	M64-N314 HydrophobicContact SD-CB 3.82Å; M64-N314 PolarHBondContact SD-ND2 3.39Å; A310-N314 PolarHBondContact O-N 2.8Å; N314-P316 WeakPolarHBondContact OD1-CD 3.37Å; N314-I317 HydrophobicContact CB-CB 4.11Å; N314-I317 HydrophobicContact CB-CD1 3.84Å; N314-I317 HydrophobicContact CB-CG1 4.15Å; N314-I317 VanDerWaalsContact CG-CD1 3.45Å; N314-I317 PolarHBondContact O-N 3.21Å; N314-I317 VanDerWaalsContact OD1-CG1 3.3Å; N314-I317 WeakPolarHBondContact OD1-CG1 3.31Å; N314-I317 PolarHBondContact OD1-N 3.49Å; N314-K318 VanDerWaalsContact O-CB 3.26Å; N314-K318 WeakPolarHBondContact O-CB 3.41Å; N314-K318 PolarHBondContact O-N 3.18Å
315	G	87.7	Confident	90.5	Very high	37 Å²	37	31.3 Å²	31.3	38%	0.381	17%	0.166	S	C	.	.	H	α-helix	trans	-58.8	-51.1	-174.2	0	0	0	0	0	114.3	I313 K318 S319	I313-G315 PolarHBondContact O-N 3.29Å; G315-K318 PolarHBondContact O-N 2.91Å; G315-S319 VanDerWaalsContact O-CB 3.31Å; G315-S319 WeakPolarHBondContact O-CB 3.49Å; G315-S319 PolarHBondContact O-N 3.29Å; G315-S319 PolarHBondContact O-OG 3.21Å
316	P	88	Confident	90.7	Very high	80 Å²	80	32.1 Å²	32.1	52%	0.519	17%	0.169	S	C	.	.	H	α-helix	trans	-52.4	-51	171.3	-30.8	35.4	0	0	0	113.9	N314 K318 S319 F320	N314-P316 WeakPolarHBondContact OD1-CD 3.37Å; P316-K318 PolarHBondContact O-N 3.32Å; P316-S319 WeakPolarHBondContact O-CB 3.33Å; P316-S319 PolarHBondContact O-N 3.39Å; P316-S319 VanDerWaalsContact O-N 3.16Å; P316-F320 PolarHBondContact O-N 2.85Å
317	I	90.3	Very high	90.8	Very high	3 Å²	3	32.4 Å²	32.4	2%	0.015	17%	0.168	C	C	.	.	H	α-helix	trans	-65.9	-42.9	-177.5	-60.5	171.6	0	0	0	111	M64 A186 S189 L311 N314 S319 F320 C321 V664	M64-I317 HydrophobicContact CE-CD1 3.9Å; M64-I317 HydrophobicContact SD-CD1 4.48Å; A186-I317 HydrophobicContact CB-CG1 4.13Å; S189-I317 WeakPolarHBondContact OG-CD1 3.44Å; L311-I317 HydrophobicContact CD2-CD1 3.92Å; N314-I317 HydrophobicContact CB-CB 4.11Å; N314-I317 HydrophobicContact CB-CD1 3.84Å; N314-I317 HydrophobicContact CB-CG1 4.15Å; N314-I317 VanDerWaalsContact CG-CD1 3.45Å; N314-I317 PolarHBondContact O-N 3.21Å; N314-I317 VanDerWaalsContact OD1-CG1 3.3Å; N314-I317 WeakPolarHBondContact OD1-CG1 3.31Å; N314-I317 PolarHBondContact OD1-N 3.49Å; I317-S319 VanDerWaalsContact C-N 3.29Å; I317-S319 PolarHBondContact O-N 3.16Å; I317-F320 PolarHBondContact O-N 3.26Å; I317-C321 WeakPolarHBondContact O-CB 3.38Å; I317-C321 PolarHBondContact O-N 2.9Å; I317-C321 PolarHBondContact O-SG 2.89Å; I317-V664 HydrophobicContact CG2-CG1 4.14Å; I317-V664 HydrophobicContact CG2-CG2 4.08Å
318	K	90.8	Very high	91	Very high	91 Å²	91	31.6 Å²	31.6	40%	0.396	16%	0.163	S	C	.	.	H	α-helix	trans	-59.5	-39.3	173.5	-176.5	171	-179.6	169.4	0	112	N314 G315 P316 Y322 P663 V664	N314-K318 VanDerWaalsContact O-CB 3.26Å; N314-K318 WeakPolarHBondContact O-CB 3.41Å; N314-K318 PolarHBondContact O-N 3.18Å; G315-K318 PolarHBondContact O-N 2.91Å; P316-K318 PolarHBondContact O-N 3.32Å; K318-Y322 VanDerWaalsContact O-CB 3.24Å; K318-Y322 WeakPolarHBondContact O-CB 3.44Å; K318-Y322 PolarHBondContact O-N 3.13Å; K318-P663 HydrophobicContact CG-CG 4.28Å; K318-V664 HydrophobicContact CB-CG2 4.03Å
319	S	90.2	Very high	91.2	Very high	65 Å²	65	32.1 Å²	32.1	46%	0.455	17%	0.167	S	C	.	.	H	α-helix	trans	-69.5	-41.1	177.1	-58.6	0	0	0	0	112.3	G315 P316 I317 R323	G315-S319 VanDerWaalsContact O-CB 3.31Å; G315-S319 WeakPolarHBondContact O-CB 3.49Å; G315-S319 PolarHBondContact O-N 3.29Å; G315-S319 PolarHBondContact O-OG 3.21Å; P316-S319 WeakPolarHBondContact O-CB 3.33Å; P316-S319 PolarHBondContact O-N 3.39Å; P316-S319 VanDerWaalsContact O-N 3.16Å; I317-S319 VanDerWaalsContact C-N 3.29Å; I317-S319 PolarHBondContact O-N 3.16Å; S319-R323 WeakPolarHBondContact O-CG 3.18Å; S319-R323 PolarHBondContact O-N 3.4Å
320	F	91.5	Very high	91.5	Very high	5 Å²	5	34.2 Å²	34.2	2%	0.022	18%	0.182	C	C	.	.	H	α-helix	trans	-61.5	-54.1	173.8	170.5	-103.1	0	0	0	111.4	C176 L183 A186 P316 I317 Y322 R323 R324 Y667 L799 I800	C176-F320 HydrophobicContact CB-CE2 4.47Å; L183-F320 HydrophobicContact CD1-CD2 4.19Å; L183-F320 HydrophobicContact CD1-CE2 3.43Å; L183-F320 VanDerWaalsContact CD1-CE2 3.43Å; L183-F320 HydrophobicContact CD1-CZ 3.9Å; A186-F320 HydrophobicContact CB-CB 4.15Å; A186-F320 HydrophobicContact CB-CD1 3.74Å; A186-F320 HydrophobicContact CB-CE1 4.33Å; A186-F320 HydrophobicContact CB-CG 3.94Å; P316-F320 PolarHBondContact O-N 2.85Å; I317-F320 PolarHBondContact O-N 3.26Å; F320-Y322 VanDerWaalsContact C-N 3.32Å; F320-Y322 PolarHBondContact O-N 3.27Å; F320-R323 WeakPolarHBondContact O-CB 3.32Å; F320-R323 PolarHBondContact O-N 3.29Å; F320-R323 VanDerWaalsContact O-N 3.08Å; F320-R324 HydrophobicContact CD2-CG 4.42Å; F320-R324 HydrophobicContact CE1-CG 4.1Å; F320-R324 HydrophobicContact CE2-CG 3.93Å; F320-R324 HydrophobicContact CZ-CG 3.75Å; F320-R324 PolarHBondContact O-N 3.09Å; F320-Y667 AromaticContact CE1-CE1 4Å; F320-Y667 HydrophobicContact CE1-CE1 4Å; F320-L799 HydrophobicContact CZ-CD2 4.44Å; F320-I800 HydrophobicContact CZ-CG2 4.4Å
321	C	94.4	Very high	91.8	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-60.8	-41.4	-179	-61.7	0	0	0	0	111.6	I317 R323 R324 L325 P663 V664 Y667	I317-C321 WeakPolarHBondContact O-CB 3.38Å; I317-C321 PolarHBondContact O-N 2.9Å; I317-C321 PolarHBondContact O-SG 2.89Å; C321-R323 PolarHBondContact O-N 3.03Å; C321-R324 PolarHBondContact O-N 3.38Å; C321-L325 WeakPolarHBondContact O-CB 3.28Å; C321-L325 VanDerWaalsContact O-CG 3.25Å; C321-L325 WeakPolarHBondContact O-CG 3.32Å; C321-L325 PolarHBondContact O-N 3.44Å; C321-P663 HydrophobicContact CB-CB 4.33Å; C321-P663 WeakPolarHBondContact CB-O 3.47Å; C321-V664 HydrophobicContact CB-CG2 4.4Å; C321-Y667 HydrophobicContact CB-CD1 4.17Å; C321-Y667 HydrophobicContact CB-CG 4.26Å
322	Y	94	Very high	92.1	Very high	80 Å²	80	35.5 Å²	35.5	31%	0.314	19%	0.188	S	C	.	.	H	α-helix	trans	-59.9	-42.9	173.9	179.6	-100.3	0	0	0	112.5	K318 F320 L325 Q326 P663	K318-Y322 VanDerWaalsContact O-CB 3.24Å; K318-Y322 WeakPolarHBondContact O-CB 3.44Å; K318-Y322 PolarHBondContact O-N 3.13Å; F320-Y322 VanDerWaalsContact C-N 3.32Å; F320-Y322 PolarHBondContact O-N 3.27Å; Y322-L325 PolarHBondContact O-N 2.94Å; Y322-Q326 HydrophobicContact CD1-CG 4.28Å; Y322-Q326 HydrophobicContact CD2-CG 4.47Å; Y322-Q326 HydrophobicContact CE1-CG 3.84Å; Y322-Q326 HydrophobicContact CE2-CG 4.05Å; Y322-Q326 WeakPolarHBondContact O-CG 3.2Å; Y322-Q326 PolarHBondContact O-N 3.49Å; Y322-Q326 PolarHBondContact OH-NE2 2.69Å; Y322-Q326 VanDerWaalsContact OH-NE2 3.08Å; Y322-P663 HydrophobicContact CD2-CG 4.15Å
323	R	92.1	Very high	92.4	Very high	118 Å²	118	39.6 Å²	39.6	45%	0.445	21%	0.207	S	C	.	.	H	α-helix	trans	-62.7	-43.4	175.3	-74.7	178	-177.8	-166.6	5.7	112.3	C176 G177 S319 F320 C321 Q326 Y327	C176-R323 PolarHBondContact O-NH1 3.46Å; G177-R323 PolarHBondContact O-NH1 3.34Å; S319-R323 WeakPolarHBondContact O-CG 3.18Å; S319-R323 PolarHBondContact O-N 3.4Å; F320-R323 WeakPolarHBondContact O-CB 3.32Å; F320-R323 PolarHBondContact O-N 3.29Å; F320-R323 VanDerWaalsContact O-N 3.08Å; C321-R323 PolarHBondContact O-N 3.03Å; R323-Q326 PolarHBondContact O-N 2.86Å; R323-Y327 WeakPolarHBondContact O-CB 3.45Å; R323-Y327 PolarHBondContact O-N 2.87Å
324	R	93.6	Very high	93	Very high	11 Å²	11	41.9 Å²	41.9	4%	0.042	22%	0.217	C	C	.	.	H	α-helix	trans	-62.6	-43	175.5	-60.6	-46.2	-57.7	-179.2	4.2	111.7	C176 F320 C321 Q326 Y327 L328 Y667 E796 L799	C176-R324 PolarHBondContact SG-NH1 2.96Å; F320-R324 HydrophobicContact CD2-CG 4.42Å; F320-R324 HydrophobicContact CE1-CG 4.1Å; F320-R324 HydrophobicContact CE2-CG 3.93Å; F320-R324 HydrophobicContact CZ-CG 3.75Å; F320-R324 PolarHBondContact O-N 3.09Å; C321-R324 PolarHBondContact O-N 3.38Å; R324-Q326 PolarHBondContact O-N 3.45Å; R324-Y327 WeakPolarHBondContact O-CB 3.22Å; R324-Y327 PolarHBondContact O-N 3Å; R324-L328 WeakPolarHBondContact O-CG 3.35Å; R324-L328 PolarHBondContact O-N 3.27Å; R324-Y667 HydrophobicContact CB-CD2 4.01Å; R324-Y667 HydrophobicContact CB-CE2 3.52Å; R324-Y667 HydrophobicContact CG-CE1 4.39Å; R324-Y667 HydrophobicContact CG-CE2 4.1Å; R324-E796 IonicContact CZ-OE1 2.74Å; R324-E796 IonicContact CZ-OE2 3.28Å; R324-E796 IonicContact NE-OE1 3.15Å; R324-E796 IonicContact NE-OE2 2.91Å; R324-E796 PolarHBondContact NE-OE2 3.38Å; R324-E796 VanDerWaalsContact NH2-CD 3.28Å; R324-E796 IonicContact NH2-OE1 2.65Å; R324-E796 PolarHBondContact NH2-OE1 3.05Å; R324-E796 IonicContact NH2-OE2 2.87Å; R324-E796 PolarHBondContact NH2-OE2 3.45Å; R324-E796 VanDerWaalsContact NH2-OE2 3.14Å; R324-L799 VanDerWaalsContact CZ-CD2 3.44Å
325	L	96.3	Very high	93.4	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.01	21%	0.212	C	C	.	.	H	α-helix	trans	-65.1	-35.7	176.9	-69.6	167.6	0	0	0	113.4	C321 Y322 L328 S329 P663 Q666 Y667 R701	C321-L325 WeakPolarHBondContact O-CB 3.28Å; C321-L325 VanDerWaalsContact O-CG 3.25Å; C321-L325 WeakPolarHBondContact O-CG 3.32Å; C321-L325 PolarHBondContact O-N 3.44Å; Y322-L325 PolarHBondContact O-N 2.94Å; L325-L328 HydrophobicContact CD2-CD1 4.42Å; L325-S329 PolarHBondContact O-N 3.39Å; L325-P663 HydrophobicContact CD1-CB 4.05Å; L325-P663 VanDerWaalsContact CD1-O 3.26Å; L325-P663 WeakPolarHBondContact CD1-O 3.28Å; L325-Q666 HydrophobicContact CD1-CB 3.92Å; L325-Q666 HydrophobicContact CD1-CG 4.28Å; L325-Q666 HydrophobicContact CD2-CG 4.26Å; L325-Y667 HydrophobicContact CD2-CD2 4.22Å; L325-Y667 HydrophobicContact CG-CD2 4.31Å; L325-R701 WeakPolarHBondContact O-CG 3.21Å; L325-R701 PolarHBondContact O-NE 2.76Å
326	Q	94.8	Very high	93.8	Very high	36 Å²	36	40.9 Å²	40.9	17%	0.168	20%	0.204	C	C	.	.	H	α-helix	trans	-72.2	-37.1	172.8	-69.8	-66.9	-4.9	0	0	112	E102 Y322 R323 R324 S330	E102-Q326 PolarHBondContact OE1-NE2 2.67Å; Y322-Q326 HydrophobicContact CD1-CG 4.28Å; Y322-Q326 HydrophobicContact CD2-CG 4.47Å; Y322-Q326 HydrophobicContact CE1-CG 3.84Å; Y322-Q326 HydrophobicContact CE2-CG 4.05Å; Y322-Q326 WeakPolarHBondContact O-CG 3.2Å; Y322-Q326 PolarHBondContact O-N 3.49Å; Y322-Q326 PolarHBondContact OH-NE2 2.69Å; Y322-Q326 VanDerWaalsContact OH-NE2 3.08Å; R323-Q326 PolarHBondContact O-N 2.86Å; R324-Q326 PolarHBondContact O-N 3.45Å; Q326-S330 WeakPolarHBondContact O-CB 3.5Å; Q326-S330 PolarHBondContact O-N 2.86Å; Q326-S330 VanDerWaalsContact O-N 3.07Å; Q326-S330 PolarHBondContact O-OG 3.03Å
327	Y	93.2	Very high	94.2	Very high	38 Å²	38	43.7 Å²	43.7	15%	0.149	21%	0.214	C	C	.	.	H	α-helix	trans	-59.4	-49.2	170.7	163.5	-84.1	0	0	0	111.3	I170 E173 R323 R324 S329 S330 K331 E796	I170-Y327 HydrophobicContact CD1-CE2 3.83Å; E173-Y327 HydrophobicContact CG-CE2 4.27Å; E173-Y327 WeakPolarHBondContact OE1-CE2 3.5Å; E173-Y327 VanDerWaalsContact OE1-CZ 3.31Å; E173-Y327 PolarHBondContact OE1-OH 2.91Å; E173-Y327 PolarHBondContact OE2-OH 2.86Å; R323-Y327 WeakPolarHBondContact O-CB 3.45Å; R323-Y327 PolarHBondContact O-N 2.87Å; R324-Y327 WeakPolarHBondContact O-CB 3.22Å; R324-Y327 PolarHBondContact O-N 3Å; Y327-S329 PolarHBondContact O-N 3.46Å; Y327-S330 PolarHBondContact O-N 2.85Å; Y327-K331 HydrophobicContact CE1-CD 3.76Å; Y327-K331 VanDerWaalsContact O-CB 3.3Å; Y327-K331 WeakPolarHBondContact O-CB 3.47Å; Y327-K331 PolarHBondContact O-N 2.85Å; Y327-K331 WeakPolarHBondContact OH-CE 3.2Å; Y327-K331 PolarHBondContact OH-NZ 2.78Å; Y327-E796 WeakPolarHBondContact CE1-OE1 3.26Å
328	L	95.8	Very high	94.5	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-57.1	-46.6	-179.8	-75.9	171	0	0	0	112.7	R324 L325 K331 F332 Y667 Y670 R701 T792 E796	R324-L328 WeakPolarHBondContact O-CG 3.35Å; R324-L328 PolarHBondContact O-N 3.27Å; L325-L328 HydrophobicContact CD2-CD1 4.42Å; L328-K331 PolarHBondContact O-N 3.2Å; L328-F332 PolarHBondContact O-N 2.94Å; L328-Y667 HydrophobicContact CD1-CE2 4.45Å; L328-Y670 HydrophobicContact CD1-CD1 3.86Å; L328-Y670 HydrophobicContact CD1-CD2 4.18Å; L328-Y670 HydrophobicContact CD1-CE1 3.73Å; L328-Y670 HydrophobicContact CD1-CE2 4.03Å; L328-Y670 HydrophobicContact CD1-CG 4.09Å; L328-Y670 HydrophobicContact CD2-CE1 4.34Å; L328-Y670 HydrophobicContact CD2-CE2 4.37Å; L328-R701 HydrophobicContact CB-CB 4.32Å; L328-R701 HydrophobicContact CB-CG 4.23Å; L328-T792 HydrophobicContact CD2-CG2 3.34Å; L328-E796 HydrophobicContact CD2-CG 3.89Å
329	S	95.6	Very high	94.7	Very high	13 Å²	13	42.3 Å²	42.3	9%	0.091	21%	0.211	C	C	.	.	H	α-helix	trans	-64.4	-43.9	177.1	-166.4	0	0	0	0	111.6	L325 Y327 K331 F332 Q333 S700	L325-S329 PolarHBondContact O-N 3.39Å; Y327-S329 PolarHBondContact O-N 3.46Å; S329-K331 PolarHBondContact O-N 3.14Å; S329-F332 PolarHBondContact O-N 2.81Å; S329-Q333 WeakPolarHBondContact O-CG 3.33Å; S329-Q333 PolarHBondContact O-N 2.87Å; S329-S700 PolarHBondContact OG-OG 2.92Å
330	S	94.8	Very high	94.9	Very high	53 Å²	53	43.7 Å²	43.7	37%	0.371	21%	0.21	S	C	.	.	H	α-helix	trans	-65.6	-37.9	178.9	-53.4	0	0	0	0	112.5	Q326 Y327 Q333 M334	Q326-S330 WeakPolarHBondContact O-CB 3.5Å; Q326-S330 PolarHBondContact O-N 2.86Å; Q326-S330 VanDerWaalsContact O-N 3.07Å; Q326-S330 PolarHBondContact O-OG 3.03Å; Y327-S330 PolarHBondContact O-N 2.85Å; S330-Q333 PolarHBondContact O-N 2.99Å; S330-M334 PolarHBondContact O-N 3.18Å; S330-M334 VanDerWaalsContact O-N 3.11Å
331	K	94.8	Very high	95.1	Very high	17 Å²	17	50.4 Å²	50.4	7%	0.074	24%	0.243	C	C	.	.	H	α-helix	trans	-66.3	-40.3	176.1	-168.5	-174.2	-172.5	165.6	0	111.3	Y327 L328 S329 M334 H335 Y788 T792	Y327-K331 HydrophobicContact CE1-CD 3.76Å; Y327-K331 VanDerWaalsContact O-CB 3.3Å; Y327-K331 WeakPolarHBondContact O-CB 3.47Å; Y327-K331 PolarHBondContact O-N 2.85Å; Y327-K331 WeakPolarHBondContact OH-CE 3.2Å; Y327-K331 PolarHBondContact OH-NZ 2.78Å; L328-K331 PolarHBondContact O-N 3.2Å; S329-K331 PolarHBondContact O-N 3.14Å; K331-M334 PolarHBondContact O-N 2.88Å; K331-H335 PolarHBondContact O-N 2.57Å; K331-Y788 VanDerWaalsContact C-OH 3.3Å; K331-Y788 HydrophobicContact CD-CE2 4.35Å; K331-Y788 HydrophobicContact CG-CE2 4.08Å; K331-Y788 WeakPolarHBondContact CG-OH 3.33Å; K331-T792 HydrophobicContact CD-CG2 4.01Å
332	F	96.7	Very high	95.1	Very high	18 Å²	18	54.4 Å²	54.4	8%	0.079	26%	0.261	C	S	.	.	H	α-helix	trans	-68.1	-40	175.6	-178.8	-107.6	0	0	0	112	L328 S329 M334 H335 V336 S700 Y788	L328-F332 PolarHBondContact O-N 2.94Å; S329-F332 PolarHBondContact O-N 2.81Å; F332-M334 VanDerWaalsContact C-N 3.29Å; F332-M334 PolarHBondContact O-N 2.82Å; F332-H335 WeakPolarHBondContact O-CB 3.2Å; F332-H335 PolarHBondContact O-N 2.93Å; F332-H335 VanDerWaalsContact O-N 3.15Å; F332-V336 HydrophobicContact CD1-CG2 4.18Å; F332-V336 HydrophobicContact CD2-CG2 4.44Å; F332-V336 HydrophobicContact CE1-CG2 3.76Å; F332-V336 HydrophobicContact CE2-CG2 4.04Å; F332-V336 HydrophobicContact CZ-CG2 3.69Å; F332-V336 WeakPolarHBondContact O-CG2 3.3Å; F332-V336 PolarHBondContact O-N 2.87Å; F332-S700 WeakPolarHBondContact CB-O 3.45Å; F332-S700 WeakPolarHBondContact CG-O 3.35Å; F332-Y788 WeakPolarHBondContact CA-OH 3.44Å; F332-Y788 HydrophobicContact CB-CE1 4.24Å; F332-Y788 HydrophobicContact CD2-CD1 4.13Å; F332-Y788 AromaticContact CD2-CE1 3.65Å; F332-Y788 HydrophobicContact CD2-CE1 3.65Å; F332-Y788 HydrophobicContact CG-CE1 4.43Å; F332-Y788 PolarHBondContact N-OH 2.72Å; F332-Y788 VanDerWaalsContact N-OH 3.07Å
333	Q	95.8	Very high	95.2	Very high	97 Å²	97	50.7 Å²	50.7	45%	0.453	25%	0.246	S	C	.	.	H	α-helix	trans	-56.4	-43.6	172	-72.6	173.8	-8.8	0	0	111.6	S329 S330 V336 L337	S329-Q333 WeakPolarHBondContact O-CG 3.33Å; S329-Q333 PolarHBondContact O-N 2.87Å; S330-Q333 PolarHBondContact O-N 2.99Å; Q333-V336 PolarHBondContact O-N 2.98Å; Q333-L337 WeakPolarHBondContact O-CG 3.37Å; Q333-L337 PolarHBondContact O-N 2.92Å; Q333-L337 VanDerWaalsContact O-N 3.11Å
334	M	95.4	Very high	95.4	Very high	88 Å²	88	47.9 Å²	47.9	43%	0.433	24%	0.24	S	C	.	.	H	α-helix	trans	-68.3	-37.7	175.5	-165.3	63.8	69.2	0	0	112.8	V168 S330 K331 F332 L337 L338	V168-M334 HydrophobicContact CG2-CB 4.46Å; V168-M334 HydrophobicContact CG2-CG 3.7Å; S330-M334 PolarHBondContact O-N 3.18Å; S330-M334 VanDerWaalsContact O-N 3.11Å; K331-M334 PolarHBondContact O-N 2.88Å; F332-M334 VanDerWaalsContact C-N 3.29Å; F332-M334 PolarHBondContact O-N 2.82Å; M334-L337 PolarHBondContact O-N 2.87Å; M334-L337 HydrophobicContact SD-CD1 4.45Å; M334-L338 HydrophobicContact CG-CD1 4.07Å; M334-L338 VanDerWaalsContact O-CG 3.29Å; M334-L338 WeakPolarHBondContact O-CG 3.37Å; M334-L338 PolarHBondContact O-N 2.97Å
335	H	96	Very high	95.4	Very high	5 Å²	5	49.8 Å²	49.8	2%	0.023	26%	0.258	C	S	.	.	H	α-helix	trans	-60	-46.1	173.4	171.9	78.9	0	0	0	112	F165 K331 F332 L338 N339 E343 Y788	F165-H335 AromaticContact CD2-CE1 4Å; K331-H335 PolarHBondContact O-N 2.57Å; F332-H335 WeakPolarHBondContact O-CB 3.2Å; F332-H335 PolarHBondContact O-N 2.93Å; F332-H335 VanDerWaalsContact O-N 3.15Å; H335-L338 PolarHBondContact O-N 2.74Å; H335-N339 PolarHBondContact CE1-ND2 2.91Å; H335-N339 PolarHBondContact ND1-ND2 3.46Å; H335-N339 VanDerWaalsContact O-CB 3.3Å; H335-N339 WeakPolarHBondContact O-CB 3.33Å; H335-N339 PolarHBondContact O-N 3.11Å; H335-N339 PolarHBondContact O-ND2 3.49Å; H335-E343 IonicContact CD2-OE1 2.7Å; H335-E343 IonicContact CE1-OE1 2.85Å; H335-E343 IonicContact NE2-OE1 2.98Å; H335-E343 PolarHBondContact NE2-OE1 2.94Å; H335-Y788 HydrophobicContact CB-CD2 3.73Å; H335-Y788 HydrophobicContact CB-CE2 3.66Å; H335-Y788 HydrophobicContact CB-CG 4.27Å; H335-Y788 AromaticContact CD2-CG 3.99Å; H335-Y788 AromaticContact CE1-CG 3.87Å; H335-Y788 AromaticContact CG-CD2 3.53Å; H335-Y788 AromaticContact CG-CE2 3.99Å; H335-Y788 AromaticContact CG-CG 3.69Å; H335-Y788 AromaticContact ND1-CD2 3.44Å; H335-Y788 WeakPolarHBondContact ND1-CD2 3.22Å; H335-Y788 AromaticContact ND1-CG 3.65Å
336	V	96.2	Very high	95.2	Very high	37 Å²	37	50.1 Å²	50.1	22%	0.224	26%	0.261	C	S	.	.	H	α-helix	trans	-59.3	-49.6	176.7	171.7	0	0	0	0	110.4	F332 Q333 L338 N339 E340	F332-V336 HydrophobicContact CD1-CG2 4.18Å; F332-V336 HydrophobicContact CD2-CG2 4.44Å; F332-V336 HydrophobicContact CE1-CG2 3.76Å; F332-V336 HydrophobicContact CE2-CG2 4.04Å; F332-V336 HydrophobicContact CZ-CG2 3.69Å; F332-V336 WeakPolarHBondContact O-CG2 3.3Å; F332-V336 PolarHBondContact O-N 2.87Å; Q333-V336 PolarHBondContact O-N 2.98Å; V336-L338 PolarHBondContact O-N 3.3Å; V336-L338 VanDerWaalsContact O-N 3.14Å; V336-N339 PolarHBondContact O-N 3.28Å; V336-E340 HydrophobicContact CG1-CB 4.11Å; V336-E340 WeakPolarHBondContact O-CB 3.1Å; V336-E340 PolarHBondContact O-N 3.38Å
337	L	96.1	Very high	95.2	Very high	139 Å²	139	48.8 Å²	48.8	73%	0.728	26%	0.255	S	S	*	.	H	α-helix	trans	-57.4	-29.1	178.7	-72.9	170.7	0	0	0	114.2	Q333 M334	Q333-L337 WeakPolarHBondContact O-CG 3.37Å; Q333-L337 PolarHBondContact O-N 2.92Å; Q333-L337 VanDerWaalsContact O-N 3.11Å; M334-L337 PolarHBondContact O-N 2.87Å; M334-L337 HydrophobicContact SD-CD1 4.45Å
338	L	95.9	Very high	95.2	Very high	66 Å²	66	54.5 Å²	54.5	35%	0.346	28%	0.28	S	S	.	.	H	α-helix	trans	-95.8	-30.5	-178.9	-64.7	173.6	0	0	0	113.5	Q166 V168 M334 H335 V336	Q166-L338 HydrophobicContact CB-CB 4.19Å; Q166-L338 HydrophobicContact CB-CD1 4.49Å; V168-L338 HydrophobicContact CG2-CD1 3.51Å; M334-L338 HydrophobicContact CG-CD1 4.07Å; M334-L338 VanDerWaalsContact O-CG 3.29Å; M334-L338 WeakPolarHBondContact O-CG 3.37Å; M334-L338 PolarHBondContact O-N 2.97Å; H335-L338 PolarHBondContact O-N 2.74Å; V336-L338 PolarHBondContact O-N 3.3Å; V336-L338 VanDerWaalsContact O-N 3.14Å
339	N	96.4	Very high	95	Very high	0 Å²	0	61 Å²	61	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-125.3	-9	-165	-61.1	-59.6	0	0	0	115.7	F165 Q166 H335 V336 M341 K342 E343 I784	F165-N339 WeakPolarHBondContact CB-OD1 3.43Å; Q166-N339 PolarHBondContact N-OD1 3.09Å; Q166-N339 PolarHBondContact O-ND2 3.21Å; H335-N339 PolarHBondContact CE1-ND2 2.91Å; H335-N339 PolarHBondContact ND1-ND2 3.46Å; H335-N339 VanDerWaalsContact O-CB 3.3Å; H335-N339 WeakPolarHBondContact O-CB 3.33Å; H335-N339 PolarHBondContact O-N 3.11Å; H335-N339 PolarHBondContact O-ND2 3.49Å; V336-N339 PolarHBondContact O-N 3.28Å; N339-M341 VanDerWaalsContact C-N 3.26Å; N339-M341 PolarHBondContact O-N 2.87Å; N339-K342 CarbonylContact O-C 3.57Å; N339-K342 WeakPolarHBondContact O-CA 3.33Å; N339-K342 WeakPolarHBondContact O-CB 3.24Å; N339-K342 PolarHBondContact O-N 3.2Å; N339-E343 PolarHBondContact O-N 2.88Å; N339-I784 HydrophobicContact CB-CG2 4.19Å
340	E	94.8	Very high	94.7	Very high	94 Å²	94	61.1 Å²	61.1	44%	0.439	31%	0.309	S	S	.	.	H	α-helix	trans	-53.2	-43.5	-179.7	179.7	-178.7	-150.1	0	0	112.2	V336 K342 E343 L344	V336-E340 HydrophobicContact CG1-CB 4.11Å; V336-E340 WeakPolarHBondContact O-CB 3.1Å; V336-E340 PolarHBondContact O-N 3.38Å; E340-K342 VanDerWaalsContact C-N 3.27Å; E340-K342 PolarHBondContact O-N 3.42Å; E340-E343 PolarHBondContact O-N 2.89Å; E340-L344 WeakPolarHBondContact O-CB 3.43Å; E340-L344 PolarHBondContact O-N 2.76Å
341	M	94.8	Very high	94.3	Very high	145 Å²	145	63.3 Å²	63.3	71%	0.714	32%	0.321	S	S	*	.	H	α-helix	trans	-64.9	-29.7	177.7	-68.7	-62.4	-66.1	0	0	113	N339 A345	N339-M341 VanDerWaalsContact C-N 3.26Å; N339-M341 PolarHBondContact O-N 2.87Å; M341-A345 WeakPolarHBondContact O-CB 3.36Å; M341-A345 PolarHBondContact O-N 3.15Å; M341-A345 VanDerWaalsContact O-N 3.08Å
342	K	95.3	Very high	93.7	Very high	84 Å²	84	70.7 Å²	70.7	37%	0.365	36%	0.356	S	S	.	.	H	α-helix	trans	-76.1	-42.5	173.1	-67	-173.5	164.5	-168	0	111.6	E164 N339 E340 L344 A345 A346 I784	E164-K342 PolarHBondContact O-NZ 3.04Å; N339-K342 CarbonylContact O-C 3.57Å; N339-K342 WeakPolarHBondContact O-CA 3.33Å; N339-K342 WeakPolarHBondContact O-CB 3.24Å; N339-K342 PolarHBondContact O-N 3.2Å; E340-K342 VanDerWaalsContact C-N 3.27Å; E340-K342 PolarHBondContact O-N 3.42Å; K342-L344 VanDerWaalsContact C-N 3.34Å; K342-L344 PolarHBondContact O-N 3.5Å; K342-A345 PolarHBondContact O-N 3.25Å; K342-A346 WeakPolarHBondContact O-CB 3.41Å; K342-A346 PolarHBondContact O-N 3.16Å; K342-I784 HydrophobicContact CB-CD1 3.59Å; K342-I784 HydrophobicContact CD-CD1 4.44Å
343	E	96	Very high	93.3	Very high	3 Å²	3	72.4 Å²	72.4	1%	0.014	36%	0.362	C	S	.	.	H	α-helix	trans	-58.4	-46.1	174.1	-71	-176.2	164.9	0	0	110.8	H335 N339 E340 A346 Q347 P782 I784 R785	H335-E343 IonicContact CD2-OE1 2.7Å; H335-E343 IonicContact CE1-OE1 2.85Å; H335-E343 IonicContact NE2-OE1 2.98Å; H335-E343 PolarHBondContact NE2-OE1 2.94Å; N339-E343 PolarHBondContact O-N 2.88Å; E340-E343 PolarHBondContact O-N 2.89Å; E343-A346 PolarHBondContact O-N 2.75Å; E343-Q347 PolarHBondContact O-N 2.68Å; E343-P782 HydrophobicContact CB-CB 4.42Å; E343-P782 HydrophobicContact CB-CG 4.02Å; E343-P782 HydrophobicContact CG-CB 4.37Å; E343-P782 HydrophobicContact CG-CG 4.43Å; E343-P782 VanDerWaalsContact O-CG 3.29Å; E343-P782 WeakPolarHBondContact O-CG 3.44Å; E343-I784 HydrophobicContact CG-CB 4.06Å; E343-I784 HydrophobicContact CG-CG2 3.63Å; E343-R785 WeakPolarHBondContact OE1-CA 3.24Å; E343-R785 WeakPolarHBondContact OE1-CB 3.24Å; E343-R785 IonicContact OE1-CZ 3.43Å; E343-R785 IonicContact OE1-NE 3.27Å; E343-R785 PolarHBondContact OE1-NE 2.65Å; E343-R785 IonicContact OE1-NH2 3.65Å; E343-R785 IonicContact OE2-CZ 3.49Å; E343-R785 IonicContact OE2-NE 3.81Å; E343-R785 PolarHBondContact OE2-NE 2.91Å; E343-R785 IonicContact OE2-NH2 2.75Å; E343-R785 PolarHBondContact OE2-NH2 2.68Å
344	L	94.4	Very high	93.1	Very high	59 Å²	59	71 Å²	71	31%	0.309	36%	0.358	S	S	.	.	H	α-helix	trans	-65.8	-36.2	176.2	-178.5	62.8	0	0	0	112.8	E340 K342 K348	E340-L344 WeakPolarHBondContact O-CB 3.43Å; E340-L344 PolarHBondContact O-N 2.76Å; K342-L344 VanDerWaalsContact C-N 3.34Å; K342-L344 PolarHBondContact O-N 3.5Å; L344-K348 HydrophobicContact CG-CD 4.3Å; L344-K348 WeakPolarHBondContact O-CB 3.48Å; L344-K348 VanDerWaalsContact O-CG 3.28Å; L344-K348 WeakPolarHBondContact O-CG 3.4Å; L344-K348 PolarHBondContact O-N 3Å; L344-K348 VanDerWaalsContact O-N 3.11Å
345	A	94	Very high	93	Very high	50 Å²	50	67.4 Å²	67.4	41%	0.413	34%	0.34	S	S	.	.	H	α-helix	trans	-66.6	-41.3	173.9	0	0	0	0	0	111.7	M341 K342 K348 K349	M341-A345 WeakPolarHBondContact O-CB 3.36Å; M341-A345 PolarHBondContact O-N 3.15Å; M341-A345 VanDerWaalsContact O-N 3.08Å; K342-A345 PolarHBondContact O-N 3.25Å; A345-K348 PolarHBondContact O-N 3.46Å; A345-K349 PolarHBondContact O-N 3.37Å; A345-K349 VanDerWaalsContact O-N 3.14Å
346	A	93.6	Very high	92.8	Very high	9 Å²	9	75 Å²	75	7%	0.074	37%	0.369	C	S	.	.	H	α-helix	trans	-62.1	-46.6	175.5	0	0	0	0	0	111.8	K342 E343 K348 K349 I776 P782	K342-A346 WeakPolarHBondContact O-CB 3.41Å; K342-A346 PolarHBondContact O-N 3.16Å; E343-A346 PolarHBondContact O-N 2.75Å; A346-K348 VanDerWaalsContact C-N 3.33Å; A346-K348 PolarHBondContact O-N 2.89Å; A346-K349 PolarHBondContact O-N 3.23Å; A346-I776 HydrophobicContact CB-CD1 4.25Å; A346-P782 HydrophobicContact CB-CB 3.97Å; A346-P782 HydrophobicContact CB-CG 4.14Å
347	Q	94.1	Very high	92.6	Very high	9 Å²	9	74.2 Å²	74.2	4%	0.042	36%	0.364	C	S	.	.	H	α-helix	trans	-57.1	-45.6	173.6	-70.7	-167.4	-41.7	0	0	111.9	E343 K349 V350 S737 N780 P782	E343-Q347 PolarHBondContact O-N 2.68Å; Q347-K349 VanDerWaalsContact C-N 3.25Å; Q347-K349 PolarHBondContact O-N 3.41Å; Q347-V350 PolarHBondContact O-N 3.13Å; Q347-V350 VanDerWaalsContact O-N 3.1Å; Q347-S737 PolarHBondContact NE2-O 2.83Å; Q347-S737 VanDerWaalsContact NE2-O 3.12Å; Q347-S737 PolarHBondContact NE2-OG 2.6Å; Q347-S737 PolarHBondContact OE1-OG 2.79Å; Q347-N780 PolarHBondContact NE2-ND2 3.11Å; Q347-N780 PolarHBondContact NE2-O 3.41Å; Q347-P782 HydrophobicContact CG-CG 3.79Å
348	K	92.3	Very high	92.5	Very high	157 Å²	157	67.8 Å²	67.8	68%	0.683	33%	0.33	S	S	*	.	H	α-helix	trans	-65.3	-22	-179.3	-75.6	171.8	179.5	173.7	0	114.7	L344 A345 A346 V350	L344-K348 HydrophobicContact CG-CD 4.3Å; L344-K348 WeakPolarHBondContact O-CB 3.48Å; L344-K348 VanDerWaalsContact O-CG 3.28Å; L344-K348 WeakPolarHBondContact O-CG 3.4Å; L344-K348 PolarHBondContact O-N 3Å; L344-K348 VanDerWaalsContact O-N 3.11Å; A345-K348 PolarHBondContact O-N 3.46Å; A346-K348 VanDerWaalsContact C-N 3.33Å; A346-K348 PolarHBondContact O-N 2.89Å; K348-V350 VanDerWaalsContact C-N 3.31Å
349	K	91.4	Very high	92.4	Very high	138 Å²	138	65.4 Å²	65.4	60%	0.6	32%	0.316	S	S	*	.	H	α-helix	trans	-72.8	-22.5	173.8	-76.9	172.8	164.7	-175.8	0	113	E162 A345 A346 Q347 P351	E162-K349 WeakPolarHBondContact OE1-CD 3.35Å; E162-K349 WeakPolarHBondContact OE1-CE 3.25Å; E162-K349 IonicContact OE1-NZ 3.45Å; E162-K349 PolarHBondContact OE1-NZ 2.85Å; A345-K349 PolarHBondContact O-N 3.37Å; A345-K349 VanDerWaalsContact O-N 3.14Å; A346-K349 PolarHBondContact O-N 3.23Å; Q347-K349 VanDerWaalsContact C-N 3.25Å; Q347-K349 PolarHBondContact O-N 3.41Å; K349-P351 VanDerWaalsContact O-CD 3.23Å; K349-P351 WeakPolarHBondContact O-CD 3.15Å
350	V	90.9	Very high	92.4	Very high	16 Å²	16	65.5 Å²	65.5	10%	0.097	32%	0.317	C	S	.	.	S	Bend	trans	-84.6	108.7	-174.5	-170.8	0	0	0	0	110.1	Q347 K348 R353 I776 R777	Q347-V350 PolarHBondContact O-N 3.13Å; Q347-V350 VanDerWaalsContact O-N 3.1Å; K348-V350 VanDerWaalsContact C-N 3.31Å; V350-R353 HydrophobicContact CB-CB 4.13Å; V350-R353 HydrophobicContact CG1-CB 3.59Å; V350-R353 HydrophobicContact CG1-CG 3.52Å; V350-I776 HydrophobicContact CG2-CB 4.47Å; V350-I776 HydrophobicContact CG2-CD1 3.75Å; V350-I776 HydrophobicContact CG2-CG1 3.88Å; V350-I776 HydrophobicContact CG2-CG2 3.93Å; V350-R777 HydrophobicContact CG1-CB 4.31Å; V350-R777 HydrophobicContact CG1-CG 4.24Å
351	P	85.6	Confident	92.6	Very high	98 Å²	98	61 Å²	61	64%	0.636	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	140.9	-177.9	30.3	-35.7	0	0	0	110.5	K349 R353	K349-P351 VanDerWaalsContact O-CD 3.23Å; K349-P351 WeakPolarHBondContact O-CD 3.15Å; P351-R353 PolarHBondContact O-N 3.44Å
352	H	82.9	Confident	92.8	Very high	172 Å²	172	54.4 Å²	54.4	80%	0.796	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	26.7	178.9	-48.7	-74.6	0	0	0	115	N357	H352-N357 PolarHBondContact O-ND2 3.18Å; H352-N357 PolarHBondContact O-OD1 3.01Å
353	R	88.4	Confident	92.9	Very high	54 Å²	54	50.6 Å²	50.6	20%	0.204	25%	0.247	C	C	.	.			trans	-120.5	131.2	170.9	-69.1	-71.8	164	-127	-1.3	112.3	V350 P351 N357 R777 N780	V350-R353 HydrophobicContact CB-CB 4.13Å; V350-R353 HydrophobicContact CG1-CB 3.59Å; V350-R353 HydrophobicContact CG1-CG 3.52Å; P351-R353 PolarHBondContact O-N 3.44Å; R353-N357 WeakPolarHBondContact CA-OD1 3.38Å; R353-N357 VanDerWaalsContact CD-OD1 3.31Å; R353-N357 WeakPolarHBondContact CD-OD1 3.4Å; R353-N357 PolarHBondContact NH1-O 3.07Å; R353-N357 VanDerWaalsContact NH1-O 3.13Å; R353-N357 PolarHBondContact NH1-OD1 3.5Å; R353-R777 WeakPolarHBondContact CD-O 3.2Å; R353-R777 PolarHBondContact NE-O 3.29Å; R353-N780 HydrophobicContact CB-CB 4.36Å
354	D	90.5	Very high	93	Very high	69 Å²	69	50.4 Å²	50.4	37%	0.369	25%	0.246	S	C	.	.	S	Bend	trans	-159.2	176.6	177.5	63.8	60.1	0	0	0	108.9	Y356 N357 I358	D354-Y356 VanDerWaalsContact C-N 3.27Å; D354-Y356 PolarHBondContact O-N 3.24Å; D354-Y356 WeakPolarHBondContact OD1-CA 3.22Å; D354-Y356 WeakPolarHBondContact OD1-CB 3.47Å; D354-Y356 PolarHBondContact OD1-N 2.97Å; D354-N357 PolarHBondContact N-ND2 2.78Å; D354-N357 PolarHBondContact N-OD1 3.08Å; D354-N357 PolarHBondContact O-N 3.32Å; D354-N357 PolarHBondContact OD1-N 2.91Å; D354-N357 PolarHBondContact OD1-ND2 2.92Å; D354-N357 PolarHBondContact OD2-ND2 3.45Å; D354-I358 PolarHBondContact O-N 3.38Å
355	F	93	Very high	93.1	Very high	12 Å²	12	48 Å²	48	5%	0.053	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-29.6	-178.1	172.4	-112.2	0	0	0	114.9	I358 K360 M723 Y726 M740	F355-I358 HydrophobicContact CD2-CD1 4.37Å; F355-I358 WeakPolarHBondContact O-CG1 3.49Å; F355-K360 HydrophobicContact CZ-CD 4.46Å; F355-K360 PolarHBondContact O-NZ 3.27Å; F355-M723 HydrophobicContact CD1-CE 4.23Å; F355-M723 HydrophobicContact CE1-CE 3.57Å; F355-M723 HydrophobicContact CE1-SD 3.99Å; F355-M723 HydrophobicContact CZ-CE 4.32Å; F355-M723 HydrophobicContact CZ-SD 4.15Å; F355-Y726 HydrophobicContact CE1-CD1 4.47Å; F355-Y726 HydrophobicContact CE1-CG 4.48Å; F355-Y726 AromaticContact CE2-CD1 3.48Å; F355-Y726 HydrophobicContact CE2-CD1 3.48Å; F355-Y726 VanDerWaalsContact CE2-CD1 3.48Å; F355-Y726 AromaticContact CE2-CE1 3.7Å; F355-Y726 HydrophobicContact CE2-CE1 3.7Å; F355-Y726 HydrophobicContact CE2-CG 4.09Å; F355-Y726 AromaticContact CZ-CD1 3.32Å; F355-Y726 HydrophobicContact CZ-CD1 3.32Å; F355-Y726 HydrophobicContact CZ-CD2 4.23Å; F355-Y726 AromaticContact CZ-CE1 3.98Å; F355-Y726 HydrophobicContact CZ-CE1 3.98Å; F355-Y726 AromaticContact CZ-CG 3.48Å; F355-Y726 HydrophobicContact CZ-CG 3.48Å; F355-Y726 VanDerWaalsContact CZ-CG 3.48Å; F355-M740 HydrophobicContact CB-CE 4.27Å; F355-M740 HydrophobicContact CD1-CE 4.35Å; F355-M740 HydrophobicContact CD1-SD 3.86Å; F355-M740 HydrophobicContact CD2-CB 3.62Å; F355-M740 HydrophobicContact CD2-CG 4.48Å; F355-M740 HydrophobicContact CD2-SD 4.21Å; F355-M740 HydrophobicContact CE1-SD 3.99Å; F355-M740 HydrophobicContact CE2-CB 3.84Å; F355-M740 HydrophobicContact CE2-CG 4.49Å; F355-M740 HydrophobicContact CE2-SD 4.33Å; F355-M740 HydrophobicContact CG-CB 4.18Å; F355-M740 HydrophobicContact CG-CE 4.19Å; F355-M740 HydrophobicContact CG-SD 3.97Å; F355-M740 HydrophobicContact CZ-SD 4.23Å
356	Y	91.1	Very high	93.3	Very high	164 Å²	164	46.2 Å²	46.2	64%	0.643	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-25.9	-177.6	-63	-85.1	0	0	0	113	D354 Y480 M723	D354-Y356 VanDerWaalsContact C-N 3.27Å; D354-Y356 PolarHBondContact O-N 3.24Å; D354-Y356 WeakPolarHBondContact OD1-CA 3.22Å; D354-Y356 WeakPolarHBondContact OD1-CB 3.47Å; D354-Y356 PolarHBondContact OD1-N 2.97Å; Y356-Y480 WeakPolarHBondContact O-CD2 3.45Å; Y356-M723 HydrophobicContact CD1-CE 3.5Å; Y356-M723 VanDerWaalsContact CD1-CE 3.5Å; Y356-M723 HydrophobicContact CE1-CE 3.53Å
357	N	92	Very high	93.4	Very high	21 Å²	21	45.9 Å²	45.9	11%	0.112	21%	0.214	C	C	.	.	S	Bend	trans	-110	9.8	-172.2	72.7	56.5	0	0	0	114.7	H352 R353 D354 Y480	H352-N357 PolarHBondContact O-ND2 3.18Å; H352-N357 PolarHBondContact O-OD1 3.01Å; R353-N357 WeakPolarHBondContact CA-OD1 3.38Å; R353-N357 VanDerWaalsContact CD-OD1 3.31Å; R353-N357 WeakPolarHBondContact CD-OD1 3.4Å; R353-N357 PolarHBondContact NH1-O 3.07Å; R353-N357 VanDerWaalsContact NH1-O 3.13Å; R353-N357 PolarHBondContact NH1-OD1 3.5Å; D354-N357 PolarHBondContact N-ND2 2.78Å; D354-N357 PolarHBondContact N-OD1 3.08Å; D354-N357 PolarHBondContact O-N 3.32Å; D354-N357 PolarHBondContact OD1-N 2.91Å; D354-N357 PolarHBondContact OD1-ND2 2.92Å; D354-N357 PolarHBondContact OD2-ND2 3.45Å; N357-Y480 HydrophobicContact CB-CD2 4.47Å; N357-Y480 HydrophobicContact CB-CE1 4.35Å; N357-Y480 HydrophobicContact CB-CE2 3.92Å; N357-Y480 VanDerWaalsContact O-CD1 3.26Å; N357-Y480 WeakPolarHBondContact O-CD1 3.42Å; N357-Y480 WeakPolarHBondContact O-CE1 3.38Å
358	I	94.6	Very high	93.4	Very high	3 Å²	3	46.6 Å²	46.6	2%	0.015	22%	0.22	C	C	.	.	S	Bend	trans	-94.1	155.6	165.5	59	162.4	0	0	0	111.7	D354 F355 C741 A744 N780	D354-I358 PolarHBondContact O-N 3.38Å; F355-I358 HydrophobicContact CD2-CD1 4.37Å; F355-I358 WeakPolarHBondContact O-CG1 3.49Å; I358-C741 HydrophobicContact CD1-CB 3.76Å; I358-C741 VanDerWaalsContact CD1-SG 3.52Å; I358-A744 HydrophobicContact CD1-CB 3.63Å; I358-A744 HydrophobicContact CG1-CB 4.47Å; I358-N780 HydrophobicContact CG2-CB 3.62Å
359	R	95.1	Very high	93.5	Very high	17 Å²	17	39.1 Å²	39.1	6%	0.064	19%	0.187	C	C	.	.			trans	-72.5	136.8	179.7	-74.4	-81.3	170.7	-163.5	-17.2	111.9	H244 K479 N482 V748 W761	H244-R359 PolarHBondContact ND1-NH2 3.11Å; R359-K479 PolarHBondContact NH1-O 2.94Å; R359-K479 PolarHBondContact NH2-O 2.79Å; R359-N482 PolarHBondContact NH1-OD1 3.09Å; R359-V748 HydrophobicContact CB-CG2 3.82Å; R359-W761 HydrophobicContact CB-CB 4.14Å; R359-W761 HydrophobicContact CB-CD2 4.34Å; R359-W761 HydrophobicContact CB-CE3 4.46Å; R359-W761 HydrophobicContact CB-CG 4.22Å; R359-W761 HydrophobicContact CG-CB 3.79Å; R359-W761 HydrophobicContact CG-CD2 3.88Å; R359-W761 HydrophobicContact CG-CE3 4.46Å; R359-W761 HydrophobicContact CG-CG 3.55Å
360	K	96.4	Very high	93.7	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.009	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	140.3	172.6	63.2	-162.2	72.6	169.8	0	110.1	F355 Y480 Q481 N482 L722 M723 A744	F355-K360 HydrophobicContact CZ-CD 4.46Å; F355-K360 PolarHBondContact O-NZ 3.27Å; K360-Y480 PolarHBondContact N-O 3.21Å; K360-Q481 HydrophobicContact CD-CG 4.27Å; K360-Q481 HydrophobicContact CG-CG 4.1Å; K360-N482 PolarHBondContact O-N 3.1Å; K360-N482 VanDerWaalsContact O-N 3.07Å; K360-L722 HydrophobicContact CB-CD2 4.46Å; K360-L722 HydrophobicContact CD-CD2 4.29Å; K360-L722 HydrophobicContact CG-CD2 3.91Å; K360-M723 HydrophobicContact CD-SD 3.89Å; K360-M723 PolarHBondContact NZ-SD 3.04Å; K360-M723 VanDerWaalsContact NZ-SD 3.36Å; K360-A744 HydrophobicContact CB-CB 3.97Å
361	V	98.1	Very high	93.9	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	132.4	-179.3	-174.6	0	0	0	0	108.3	T363 N482 E484 S747 V748 F753 W761	V361-T363 HydrophobicContact CB-CG2 4.17Å; V361-T363 HydrophobicContact CG1-CG2 4.09Å; V361-T363 PolarHBondContact O-N 3.22Å; V361-N482 CarbonylContact C-O 3.51Å; V361-N482 WeakPolarHBondContact CA-O 3.31Å; V361-N482 HydrophobicContact CB-CB 4.4Å; V361-N482 HydrophobicContact CG1-CB 4.41Å; V361-N482 HydrophobicContact CG2-CB 3.97Å; V361-E484 HydrophobicContact CG1-CG 3.78Å; V361-S747 PolarHBondContact N-OG 2.89Å; V361-S747 VanDerWaalsContact O-CB 3.26Å; V361-S747 WeakPolarHBondContact O-CB 3.44Å; V361-S747 PolarHBondContact O-OG 3.37Å; V361-V748 HydrophobicContact CG2-CG2 4.06Å; V361-F753 HydrophobicContact CG1-CD2 4.48Å; V361-F753 HydrophobicContact CG1-CE2 3.94Å; V361-F753 HydrophobicContact CG2-CD2 4.27Å; V361-F753 HydrophobicContact CG2-CE2 4.21Å; V361-W761 HydrophobicContact CG2-CZ3 4.08Å
362	D	98.4	Very high	94.2	Very high	5 Å²	5	28.5 Å²	28.5	3%	0.027	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	98.4	162.1	-163.6	-17.7	0	0	0	108.6	H364 I365 N482 A483 E484 S708 T709 L722	D362-H364 VanDerWaalsContact C-N 3.31Å; D362-H364 PolarHBondContact OD1-N 3.18Å; D362-H364 VanDerWaalsContact OD1-O 3.06Å; D362-I365 HydrophobicContact CB-CG2 4.02Å; D362-N482 PolarHBondContact N-O 2.85Å; D362-A483 HydrophobicContact CB-CB 4.33Å; D362-E484 PolarHBondContact O-N 2.92Å; D362-S708 WeakPolarHBondContact OD1-CA 3.31Å; D362-S708 WeakPolarHBondContact OD1-CB 3.03Å; D362-T709 PolarHBondContact OD1-N 2.83Å; D362-T709 VanDerWaalsContact OD1-N 3.14Å; D362-T709 VanDerWaalsContact OD2-CB 3.29Å; D362-T709 WeakPolarHBondContact OD2-CB 3.45Å; D362-T709 WeakPolarHBondContact OD2-CG2 3.5Å; D362-T709 PolarHBondContact OD2-N 3.25Å; D362-T709 PolarHBondContact OD2-OG1 2.91Å; D362-L722 HydrophobicContact CB-CD1 4.2Å; D362-L722 HydrophobicContact CB-CD2 4.13Å
363	T	97.2	Very high	94.7	Very high	4 Å²	4	21.3 Å²	21.3	3%	0.025	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	-11	-175.7	48.9	0	0	0	0	113	V361 E484 R486 A677 S706 S747 M750	V361-T363 HydrophobicContact CB-CG2 4.17Å; V361-T363 HydrophobicContact CG1-CG2 4.09Å; V361-T363 PolarHBondContact O-N 3.22Å; T363-E484 WeakPolarHBondContact CA-OE2 3.38Å; T363-R486 PolarHBondContact O-NH1 3.21Å; T363-R486 PolarHBondContact O-NH2 3.35Å; T363-A677 WeakPolarHBondContact OG1-CB 3.22Å; T363-S706 PolarHBondContact OG1-OG 2.91Å; T363-S747 WeakPolarHBondContact CG2-O 3.41Å; T363-M750 HydrophobicContact CG2-CG 3.8Å; T363-M750 HydrophobicContact CG2-SD 4.24Å
364	H	97.9	Very high	94.9	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	102.2	172.1	-169.2	-152.7	0	0	0	113.3	D362 H366 R486 H633 S654 H655 A677 S708 T709 D710	D362-H364 VanDerWaalsContact C-N 3.31Å; D362-H364 PolarHBondContact OD1-N 3.18Å; D362-H364 VanDerWaalsContact OD1-O 3.06Å; H364-H366 AromaticContact NE2-CE1 3.75Å; H364-H366 AromaticContact NE2-NE2 3.88Å; H364-R486 PolarHBondContact CD2-NE 3.39Å; H364-R486 PolarHBondContact CD2-NH2 2.69Å; H364-H633 AromaticContact CE1-CD2 3.89Å; H364-H633 AromaticContact CE1-CE1 3.36Å; H364-H633 PolarHBondContact CE1-CE1 2.98Å; H364-H633 AromaticContact CE1-NE2 3.27Å; H364-H633 PolarHBondContact CE1-NE2 3Å; H364-H633 VanDerWaalsContact CE1-NE2 3.27Å; H364-H633 AromaticContact NE2-CE1 2.95Å; H364-H633 PolarHBondContact NE2-CE1 2.79Å; H364-H633 AromaticContact NE2-ND1 3.86Å; H364-H633 AromaticContact NE2-NE2 3.23Å; H364-H633 PolarHBondContact NE2-NE2 2.99Å; H364-S654 WeakPolarHBondContact ND1-CB 3.48Å; H364-S654 PolarHBondContact ND1-OG 3.12Å; H364-H655 AromaticContact CE1-CE1 3.76Å; H364-H655 AromaticContact CE1-NE2 3.31Å; H364-H655 PolarHBondContact CE1-NE2 3.18Å; H364-H655 VanDerWaalsContact CE1-NE2 3.31Å; H364-H655 AromaticContact ND1-CE1 3.97Å; H364-H655 AromaticContact ND1-NE2 3.67Å; H364-A677 HydrophobicContact CB-CB 3.94Å; H364-S708 WeakPolarHBondContact CB-OG 3.3Å; H364-S708 VanDerWaalsContact N-CB 3.34Å; H364-S708 WeakPolarHBondContact O-CB 3.42Å; H364-T709 PolarHBondContact O-N 3.39Å; H364-D710 IonicContact CE1-OD1 3.67Å; H364-D710 PolarHBondContact CE1-OD1 2.8Å; H364-D710 IonicContact ND1-OD1 2.87Å; H364-D710 PolarHBondContact ND1-OD1 2.96Å; H364-D710 IonicContact NE2-OD1 2.72Å; H364-D710 PolarHBondContact O-N 3.05Å
365	I	97.6	Very high	95.1	Very high	8 Å²	8	23.5 Å²	23.5	4%	0.041	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	130	178.7	176.4	170.6	0	0	0	110.8	D362 C370 A483 L485 R486 D710 P712	D362-I365 HydrophobicContact CB-CG2 4.02Å; I365-C370 HydrophobicContact CD1-CB 3.6Å; I365-C370 HydrophobicContact CG1-CB 3.89Å; I365-A483 HydrophobicContact CG2-CB 4.28Å; I365-L485 HydrophobicContact CB-CD2 4.43Å; I365-L485 HydrophobicContact CD1-CD2 3.84Å; I365-L485 HydrophobicContact CG1-CD2 3.83Å; I365-L485 HydrophobicContact CG2-CD2 3.88Å; I365-L485 WeakPolarHBondContact O-CA 3.43Å; I365-R486 PolarHBondContact O-N 3.26Å; I365-D710 WeakPolarHBondContact CA-O 3.36Å; I365-P712 HydrophobicContact CD1-CG 3.91Å; I365-P712 HydrophobicContact CG1-CG 4.33Å
366	H	97.4	Very high	95.2	Very high	13 Å²	13	22.9 Å²	22.9	6%	0.06	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	133.8	176.7	-65.8	-62.2	0	0	0	111.4	H364 S368 S369 C370 Q519 H633 D710 D711	H364-H366 AromaticContact NE2-CE1 3.75Å; H364-H366 AromaticContact NE2-NE2 3.88Å; H366-S368 VanDerWaalsContact C-N 3.29Å; H366-S368 PolarHBondContact O-N 2.74Å; H366-S369 WeakPolarHBondContact CB-OG 3.5Å; H366-S369 PolarHBondContact O-N 3.06Å; H366-S369 PolarHBondContact O-OG 3.22Å; H366-C370 PolarHBondContact O-N 2.75Å; H366-C370 VanDerWaalsContact O-N 3.1Å; H366-Q519 PolarHBondContact CE1-OE1 3.23Å; H366-Q519 PolarHBondContact ND1-OE1 3.44Å; H366-H633 AromaticContact CE1-CE1 3.59Å; H366-H633 AromaticContact CE1-NE2 3.23Å; H366-H633 PolarHBondContact CE1-NE2 3.34Å; H366-H633 AromaticContact NE2-NE2 3.44Å; H366-H633 PolarHBondContact NE2-NE2 3.26Å; H366-D710 IonicContact CD2-OD1 3.28Å; H366-D710 PolarHBondContact N-O 3.36Å; H366-D710 IonicContact NE2-OD1 2.87Å; H366-D711 IonicContact CD2-OD1 3.82Å; H366-D711 PolarHBondContact CD2-OD1 3.13Å; H366-D711 IonicContact CD2-OD2 3.41Å; H366-D711 IonicContact CG-OD1 3.19Å
367	A	96.6	Very high	95.3	Very high	1 Å²	1	16 Å²	16	1%	0.008	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-29	-176.5	0	0	0	0	0	113.2	S369 C370 F464 I468 L485 R486 L487 W516	A367-S369 PolarHBondContact O-N 2.86Å; A367-C370 PolarHBondContact O-SG 3.04Å; A367-C370 VanDerWaalsContact O-SG 3.37Å; A367-F464 HydrophobicContact CB-CZ 4.14Å; A367-F464 VanDerWaalsContact O-CE2 3.31Å; A367-F464 WeakPolarHBondContact O-CE2 3.11Å; A367-F464 VanDerWaalsContact O-CZ 3.31Å; A367-F464 WeakPolarHBondContact O-CZ 3.29Å; A367-I468 HydrophobicContact CB-CD1 4.44Å; A367-L485 HydrophobicContact CB-CB 4.23Å; A367-R486 WeakPolarHBondContact CB-O 3.32Å; A367-R486 PolarHBondContact N-O 2.85Å; A367-L487 HydrophobicContact CB-CD2 3.77Å; A367-L487 HydrophobicContact CB-CG 4.27Å; A367-W516 HydrophobicContact CB-CZ3 4.18Å
368	S	93.9	Very high	95.4	Very high	25 Å²	25	20.6 Å²	20.6	18%	0.175	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-10.8	178.1	40.6	0	0	0	0	114.5	H366 I453	H366-S368 VanDerWaalsContact C-N 3.29Å; H366-S368 PolarHBondContact O-N 2.74Å; S368-I453 WeakPolarHBondContact O-CG2 3.4Å
369	S	94.1	Very high	95.4	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-140.2	8.9	-169.7	42.8	0	0	0	0	112.4	H366 A367 M371 D711 P712 L713 Q714	H366-S369 WeakPolarHBondContact CB-OG 3.5Å; H366-S369 PolarHBondContact O-N 3.06Å; H366-S369 PolarHBondContact O-OG 3.22Å; A367-S369 PolarHBondContact O-N 2.86Å; S369-M371 PolarHBondContact O-N 2.66Å; S369-D711 WeakPolarHBondContact CB-OD1 3.15Å; S369-D711 PolarHBondContact OG-OD1 2.78Å; S369-P712 CarbonylContact O-C 3.6Å; S369-P712 WeakPolarHBondContact O-CB 3.38Å; S369-P712 VanDerWaalsContact O-CD 3.25Å; S369-P712 WeakPolarHBondContact O-CD 3.48Å; S369-L713 WeakPolarHBondContact O-CB 3.43Å; S369-L713 PolarHBondContact O-N 2.93Å; S369-Q714 VanDerWaalsContact CB-OE1 3.31Å
370	C	95.5	Very high	95.4	Very high	7 Å²	7	20.3 Å²	20.3	5%	0.047	9%	0.093	C	C	.	.			trans	-67.4	-3.8	-177.3	66.6	0	0	0	0	115.1	I365 H366 A367 I468 L485	I365-C370 HydrophobicContact CD1-CB 3.6Å; I365-C370 HydrophobicContact CG1-CB 3.89Å; H366-C370 PolarHBondContact O-N 2.75Å; H366-C370 VanDerWaalsContact O-N 3.1Å; A367-C370 PolarHBondContact O-SG 3.04Å; A367-C370 VanDerWaalsContact O-SG 3.37Å; C370-I468 WeakPolarHBondContact SG-CD1 3.31Å; C370-L485 HydrophobicContact CB-CD2 3.61Å
371	M	94.7	Very high	95.2	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.01	10%	0.103	C	C	.	.	S	Bend	trans	-114.1	137.7	177	67.1	-69.6	177.5	0	0	110.7	S369 H375 L376 I453 I467 V471 L713	S369-M371 PolarHBondContact O-N 2.66Å; M371-H375 HydrophobicContact CB-CB 4.13Å; M371-L376 HydrophobicContact CE-CD1 4.09Å; M371-L376 HydrophobicContact CE-CD2 4.35Å; M371-L376 HydrophobicContact CG-CB 4.44Å; M371-I453 HydrophobicContact CE-CD1 4.33Å; M371-I453 HydrophobicContact CE-CG2 4.4Å; M371-I467 HydrophobicContact CB-CG2 4.13Å; M371-I467 HydrophobicContact CE-CG2 4.22Å; M371-I467 HydrophobicContact CG-CG2 3.63Å; M371-I467 HydrophobicContact SD-CG2 3.73Å; M371-V471 HydrophobicContact CB-CG2 3.83Å; M371-L713 HydrophobicContact CE-CD2 4.15Å; M371-L713 VanDerWaalsContact O-CA 3.28Å; M371-L713 WeakPolarHBondContact O-CA 3.47Å; M371-L713 VanDerWaalsContact O-CB 3.25Å; M371-L713 WeakPolarHBondContact O-CB 3.41Å; M371-L713 WeakPolarHBondContact O-CD1 3.38Å; M371-L713 PolarHBondContact O-N 3.31Å
372	N	93	Very high	95	Very high	19 Å²	19	26.5 Å²	26.5	10%	0.102	12%	0.117	C	C	.	.			trans	-66.1	159.7	176.7	68.2	54.2	0	0	0	112.7	K374 H375 L376 T718	N372-K374 PolarHBondContact O-N 3.2Å; N372-K374 VanDerWaalsContact O-N 3.12Å; N372-K374 WeakPolarHBondContact OD1-CA 3.41Å; N372-K374 WeakPolarHBondContact OD1-CB 3.22Å; N372-K374 PolarHBondContact OD1-N 3.21Å; N372-K374 VanDerWaalsContact OD1-N 3.08Å; N372-H375 VanDerWaalsContact O-CB 3.3Å; N372-H375 WeakPolarHBondContact O-CB 3.47Å; N372-H375 PolarHBondContact O-N 3.23Å; N372-H375 PolarHBondContact OD1-N 3.39Å; N372-L376 PolarHBondContact O-N 2.92Å; N372-L376 VanDerWaalsContact O-N 3.14Å; N372-T718 PolarHBondContact ND2-O 3.41Å
373	Q	92	Very high	94.7	Very high	22 Å²	22	26.5 Å²	26.5	10%	0.103	12%	0.118	C	C	.	.	H	α-helix	trans	-50.6	-35.5	178.3	54.2	-177.5	-17.3	0	0	114.9	L377 V418 V423 H424 L713	Q373-L377 WeakPolarHBondContact O-CB 3.14Å; Q373-L377 PolarHBondContact O-N 2.79Å; Q373-V418 HydrophobicContact CB-CG1 4.16Å; Q373-V418 HydrophobicContact CG-CG1 3.74Å; Q373-V423 HydrophobicContact CB-CG2 3.74Å; Q373-H424 PolarHBondContact NE2-CD2 3.22Å; Q373-H424 VanDerWaalsContact NE2-CD2 3.29Å; Q373-L713 HydrophobicContact CB-CD1 4.34Å
374	K	93.3	Very high	94.4	Very high	154 Å²	154	27 Å²	27	67%	0.67	12%	0.12	S	C	*	.	H	α-helix	trans	-73.8	-32	179.7	-177.4	177.9	178.9	178.6	0	112.1	N372 R378	N372-K374 PolarHBondContact O-N 3.2Å; N372-K374 VanDerWaalsContact O-N 3.12Å; N372-K374 WeakPolarHBondContact OD1-CA 3.41Å; N372-K374 WeakPolarHBondContact OD1-CB 3.22Å; N372-K374 PolarHBondContact OD1-N 3.21Å; N372-K374 VanDerWaalsContact OD1-N 3.08Å; K374-R378 WeakPolarHBondContact O-CB 3.24Å; K374-R378 PolarHBondContact O-N 2.87Å
375	H	94.6	Very high	94	Very high	14 Å²	14	34.5 Å²	34.5	7%	0.065	15%	0.153	C	C	.	.	H	α-helix	trans	-67.8	-50.4	172.7	-167.1	154.5	0	0	0	110.4	M371 N372 L377 R378 F379 E470	M371-H375 HydrophobicContact CB-CB 4.13Å; N372-H375 VanDerWaalsContact O-CB 3.3Å; N372-H375 WeakPolarHBondContact O-CB 3.47Å; N372-H375 PolarHBondContact O-N 3.23Å; N372-H375 PolarHBondContact OD1-N 3.39Å; H375-L377 PolarHBondContact O-N 3.06Å; H375-R378 PolarHBondContact CD2-NH2 2.94Å; H375-R378 PolarHBondContact NE2-NH2 3.45Å; H375-R378 WeakPolarHBondContact O-CB 3.46Å; H375-R378 PolarHBondContact O-N 3.26Å; H375-F379 PolarHBondContact O-N 2.93Å; H375-E470 IonicContact CD2-OE2 2.85Å; H375-E470 PolarHBondContact CD2-OE2 2.89Å; H375-E470 IonicContact CE1-OE2 2.75Å; H375-E470 WeakPolarHBondContact NE2-CB 3.4Å; H375-E470 IonicContact NE2-OE2 3.49Å; H375-E470 PolarHBondContact NE2-OE2 3.48Å
376	L	94.8	Very high	93.7	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-57.6	-48.5	177	179.2	59.9	0	0	0	111.3	M371 N372 R378 F379 I380 L421 P442 I453 I467 L713	M371-L376 HydrophobicContact CE-CD1 4.09Å; M371-L376 HydrophobicContact CE-CD2 4.35Å; M371-L376 HydrophobicContact CG-CB 4.44Å; N372-L376 PolarHBondContact O-N 2.92Å; N372-L376 VanDerWaalsContact O-N 3.14Å; L376-R378 VanDerWaalsContact C-N 3.34Å; L376-R378 PolarHBondContact O-N 3.09Å; L376-F379 WeakPolarHBondContact O-CB 3.4Å; L376-F379 PolarHBondContact O-N 2.84Å; L376-F379 VanDerWaalsContact O-N 3.08Å; L376-I380 HydrophobicContact CD1-CD1 3.9Å; L376-I380 HydrophobicContact CD1-CG1 4.14Å; L376-I380 HydrophobicContact CG-CD1 3.88Å; L376-I380 HydrophobicContact CG-CG1 4.49Å; L376-I380 WeakPolarHBondContact O-CG1 3.26Å; L376-I380 PolarHBondContact O-N 2.91Å; L376-L421 HydrophobicContact CG-CD1 4.48Å; L376-P442 HydrophobicContact CD2-CG 4.3Å; L376-I453 HydrophobicContact CD2-CD1 4.03Å; L376-I467 HydrophobicContact CD1-CD1 4.05Å; L376-L713 HydrophobicContact CB-CD1 4.2Å; L376-L713 HydrophobicContact CD2-CD1 3.82Å; L376-L713 HydrophobicContact CD2-CD2 4.21Å
377	L	93.9	Very high	93.5	Very high	19 Å²	19	45.6 Å²	45.6	10%	0.099	20%	0.197	C	C	.	.	H	α-helix	trans	-56.7	-45.9	175.3	-176.8	63	0	0	0	112.5	Q373 H375 F379 I380 K381 L416 S417 V418 L421	Q373-L377 WeakPolarHBondContact O-CB 3.14Å; Q373-L377 PolarHBondContact O-N 2.79Å; H375-L377 PolarHBondContact O-N 3.06Å; L377-F379 VanDerWaalsContact C-N 3.26Å; L377-F379 PolarHBondContact O-N 2.85Å; L377-I380 PolarHBondContact O-N 3.17Å; L377-K381 HydrophobicContact CD1-CD 4.37Å; L377-K381 HydrophobicContact CD1-CG 4.29Å; L377-K381 HydrophobicContact CG-CD 4.42Å; L377-K381 WeakPolarHBondContact O-CB 3.41Å; L377-K381 WeakPolarHBondContact O-CG 3.38Å; L377-K381 PolarHBondContact O-N 3.5Å; L377-L416 HydrophobicContact CD1-CB 3.82Å; L377-S417 WeakPolarHBondContact CD1-O 3.47Å; L377-S417 WeakPolarHBondContact CD2-O 3.48Å; L377-V418 HydrophobicContact CD2-CB 4.49Å; L377-V418 HydrophobicContact CD2-CG2 3.66Å; L377-L421 HydrophobicContact CB-CD1 3.77Å; L377-L421 HydrophobicContact CD1-CD1 4.12Å; L377-L421 HydrophobicContact CD1-CD2 4.37Å; L377-L421 HydrophobicContact CD1-CG 4.21Å
378	R	94.3	Very high	93.2	Very high	117 Å²	117	48 Å²	48	44%	0.442	21%	0.209	S	C	.	.	H	α-helix	trans	-60.4	-36.6	176.9	179.7	-172.1	75.2	-177.7	2.5	111.5	K374 H375 L376 R382 E470	K374-R378 WeakPolarHBondContact O-CB 3.24Å; K374-R378 PolarHBondContact O-N 2.87Å; H375-R378 PolarHBondContact CD2-NH2 2.94Å; H375-R378 PolarHBondContact NE2-NH2 3.45Å; H375-R378 WeakPolarHBondContact O-CB 3.46Å; H375-R378 PolarHBondContact O-N 3.26Å; L376-R378 VanDerWaalsContact C-N 3.34Å; L376-R378 PolarHBondContact O-N 3.09Å; R378-R382 WeakPolarHBondContact O-CB 3.48Å; R378-R382 PolarHBondContact O-N 2.99Å; R378-E470 IonicContact CZ-OE2 3.76Å; R378-E470 IonicContact NH2-OE2 3.99Å; R378-E470 PolarHBondContact NH2-OE2 3.29Å
379	F	95.2	Very high	93.1	Very high	13 Å²	13	52.3 Å²	52.3	6%	0.057	23%	0.227	C	C	.	.	H	α-helix	trans	-71.5	-50.7	177.8	-167.5	-82.6	0	0	0	111.6	H375 L376 L377 K381 R382 A383 F452 Y463 H466 I467	H375-F379 PolarHBondContact O-N 2.93Å; L376-F379 WeakPolarHBondContact O-CB 3.4Å; L376-F379 PolarHBondContact O-N 2.84Å; L376-F379 VanDerWaalsContact O-N 3.08Å; L377-F379 VanDerWaalsContact C-N 3.26Å; L377-F379 PolarHBondContact O-N 2.85Å; F379-K381 PolarHBondContact O-N 2.97Å; F379-R382 CarbonylContact O-C 3.55Å; F379-R382 WeakPolarHBondContact O-CA 3.31Å; F379-R382 WeakPolarHBondContact O-CB 3.48Å; F379-R382 PolarHBondContact O-N 2.62Å; F379-A383 PolarHBondContact O-N 3.16Å; F379-F452 HydrophobicContact CD1-CD1 4.04Å; F379-F452 HydrophobicContact CD1-CE1 4.17Å; F379-F452 HydrophobicContact CE1-CD1 4.11Å; F379-F452 HydrophobicContact CE1-CE1 4.21Å; F379-Y463 AromaticContact CE1-CD1 3.99Å; F379-Y463 HydrophobicContact CE1-CD1 3.99Å; F379-Y463 HydrophobicContact CE1-CG 4.07Å; F379-Y463 HydrophobicContact CZ-CD1 4.2Å; F379-H466 HydrophobicContact CE2-CB 3.81Å; F379-H466 HydrophobicContact CZ-CB 3.7Å; F379-I467 HydrophobicContact CB-CD1 4.48Å; F379-I467 HydrophobicContact CB-CG1 4.23Å; F379-I467 HydrophobicContact CD1-CD1 3.82Å; F379-I467 HydrophobicContact CD1-CG1 3.77Å; F379-I467 HydrophobicContact CD2-CD1 4.49Å; F379-I467 HydrophobicContact CD2-CG1 3.58Å; F379-I467 HydrophobicContact CE1-CD1 4.17Å; F379-I467 HydrophobicContact CE1-CG1 3.99Å; F379-I467 HydrophobicContact CE2-CG1 3.79Å; F379-I467 HydrophobicContact CG-CD1 4Å; F379-I467 HydrophobicContact CG-CG1 3.57Å; F379-I467 HydrophobicContact CZ-CG1 3.99Å
380	I	93.7	Very high	93	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-56.9	-50.6	177.9	-65.6	170.2	0	0	0	110.4	L376 L377 R382 A383 M384 F406 L416 L421 F452	L376-I380 HydrophobicContact CD1-CD1 3.9Å; L376-I380 HydrophobicContact CD1-CG1 4.14Å; L376-I380 HydrophobicContact CG-CD1 3.88Å; L376-I380 HydrophobicContact CG-CG1 4.49Å; L376-I380 WeakPolarHBondContact O-CG1 3.26Å; L376-I380 PolarHBondContact O-N 2.91Å; L377-I380 PolarHBondContact O-N 3.17Å; I380-R382 PolarHBondContact O-N 2.69Å; I380-R382 VanDerWaalsContact O-N 3.11Å; I380-A383 PolarHBondContact O-N 3.47Å; I380-A383 VanDerWaalsContact O-N 3.09Å; I380-M384 HydrophobicContact CG2-CG 4.36Å; I380-M384 HydrophobicContact CG2-SD 4.03Å; I380-M384 WeakPolarHBondContact O-CG 3.07Å; I380-M384 PolarHBondContact O-N 3.35Å; I380-F406 HydrophobicContact CG2-CE1 4.48Å; I380-F406 HydrophobicContact CG2-CE2 4.36Å; I380-F406 HydrophobicContact CG2-CZ 3.67Å; I380-L416 HydrophobicContact CG2-CD1 3.93Å; I380-L421 HydrophobicContact CD1-CD2 4.27Å; I380-F452 HydrophobicContact CB-CZ 4.44Å; I380-F452 HydrophobicContact CD1-CD2 4.34Å; I380-F452 HydrophobicContact CG1-CD1 4.14Å; I380-F452 HydrophobicContact CG1-CD2 4.04Å; I380-F452 HydrophobicContact CG1-CE1 4.12Å; I380-F452 HydrophobicContact CG1-CE2 4Å; I380-F452 HydrophobicContact CG1-CG 4.12Å; I380-F452 HydrophobicContact CG1-CZ 4.04Å; I380-F452 HydrophobicContact CG2-CE2 4.34Å; I380-F452 HydrophobicContact CG2-CZ 4.27Å
381	K	92.6	Very high	92.9	Very high	51 Å²	51	57.2 Å²	57.2	22%	0.222	25%	0.25	C	S	.	.	H	α-helix	trans	-62.6	-17.8	175.8	-72	-169.5	-172.9	-116.9	0	114.1	L377 F379 K385 A413 Y414 L416	L377-K381 HydrophobicContact CD1-CD 4.37Å; L377-K381 HydrophobicContact CD1-CG 4.29Å; L377-K381 HydrophobicContact CG-CD 4.42Å; L377-K381 WeakPolarHBondContact O-CB 3.41Å; L377-K381 WeakPolarHBondContact O-CG 3.38Å; L377-K381 PolarHBondContact O-N 3.5Å; F379-K381 PolarHBondContact O-N 2.97Å; K381-K385 WeakPolarHBondContact O-CD 3.49Å; K381-K385 VanDerWaalsContact O-CG 3.29Å; K381-K385 WeakPolarHBondContact O-CG 3.4Å; K381-A413 PolarHBondContact NZ-O 2.7Å; K381-Y414 PolarHBondContact NZ-O 2.64Å; K381-Y414 VanDerWaalsContact NZ-O 3.11Å; K381-L416 WeakPolarHBondContact CE-O 3.35Å; K381-L416 PolarHBondContact NZ-O 3Å
382	R	93.9	Very high	92.7	Very high	81 Å²	81	57.1 Å²	57.1	31%	0.306	25%	0.25	S	C	.	.	H	α-helix	trans	-85.5	-40.4	172.9	-162.7	-164.5	-59.5	164.9	4.5	111.2	R378 F379 I380 K385 R386 E470	R378-R382 WeakPolarHBondContact O-CB 3.48Å; R378-R382 PolarHBondContact O-N 2.99Å; F379-R382 CarbonylContact O-C 3.55Å; F379-R382 WeakPolarHBondContact O-CA 3.31Å; F379-R382 WeakPolarHBondContact O-CB 3.48Å; F379-R382 PolarHBondContact O-N 2.62Å; I380-R382 PolarHBondContact O-N 2.69Å; I380-R382 VanDerWaalsContact O-N 3.11Å; R382-K385 PolarHBondContact O-N 3.24Å; R382-R386 PolarHBondContact O-N 3.41Å; R382-E470 IonicContact CZ-OE1 3.72Å; R382-E470 IonicContact NH1-OE1 2.77Å; R382-E470 PolarHBondContact NH1-OE1 3.27Å; R382-E470 IonicContact NH2-OE1 2.72Å; R382-E470 PolarHBondContact NH2-OE1 3.07Å; R382-E470 IonicContact NH2-OE2 3.39Å
383	A	92.8	Very high	92.5	Very high	5 Å²	5	57.3 Å²	57.3	4%	0.041	25%	0.25	C	C	.	.	H	α-helix	trans	-60.8	-49.8	174.3	0	0	0	0	0	111.1	F379 I380 K385 R386 H387 L402 F452 Y463	F379-A383 PolarHBondContact O-N 3.16Å; I380-A383 PolarHBondContact O-N 3.47Å; I380-A383 VanDerWaalsContact O-N 3.09Å; A383-K385 PolarHBondContact O-N 3.34Å; A383-R386 PolarHBondContact O-N 3.46Å; A383-H387 PolarHBondContact O-N 3.08Å; A383-L402 HydrophobicContact CB-CD2 4.01Å; A383-F452 HydrophobicContact CB-CE1 3.89Å; A383-F452 HydrophobicContact CB-CZ 4.18Å; A383-Y463 HydrophobicContact CB-CE1 4.47Å
384	M	89.8	Confident	92.3	Very high	14 Å²	14	59 Å²	59	7%	0.069	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-6.6	174.2	-63.9	178.5	81.3	0	0	115.1	I380 L388 F406 A413 L416	I380-M384 HydrophobicContact CG2-CG 4.36Å; I380-M384 HydrophobicContact CG2-SD 4.03Å; I380-M384 WeakPolarHBondContact O-CG 3.07Å; I380-M384 PolarHBondContact O-N 3.35Å; M384-L388 HydrophobicContact CB-CD2 4.5Å; M384-L388 WeakPolarHBondContact O-CD2 3.33Å; M384-L388 VanDerWaalsContact O-CG 3.29Å; M384-L388 WeakPolarHBondContact O-CG 3.36Å; M384-F406 HydrophobicContact CE-CB 3.86Å; M384-F406 HydrophobicContact CE-CD1 3.54Å; M384-F406 HydrophobicContact CE-CD2 3.73Å; M384-F406 HydrophobicContact CE-CE1 3.98Å; M384-F406 HydrophobicContact CE-CE2 4.14Å; M384-F406 HydrophobicContact CE-CG 3.41Å; M384-F406 VanDerWaalsContact CE-CG 3.41Å; M384-F406 HydrophobicContact CE-CZ 4.27Å; M384-F406 HydrophobicContact CG-CD2 3.9Å; M384-F406 HydrophobicContact CG-CE2 3.68Å; M384-F406 HydrophobicContact CG-CZ 4.16Å; M384-F406 HydrophobicContact SD-CD1 4.06Å; M384-F406 HydrophobicContact SD-CD2 4.03Å; M384-F406 HydrophobicContact SD-CE1 3.85Å; M384-F406 HydrophobicContact SD-CE2 3.81Å; M384-F406 HydrophobicContact SD-CG 4.16Å; M384-F406 HydrophobicContact SD-CZ 3.73Å; M384-A413 HydrophobicContact CB-CB 4.08Å; M384-A413 HydrophobicContact CE-CB 3.88Å; M384-A413 HydrophobicContact SD-CB 3.88Å; M384-L416 HydrophobicContact CE-CD1 4.48Å; M384-L416 HydrophobicContact SD-CD1 3.57Å; M384-L416 VanDerWaalsContact SD-CD1 3.57Å
385	K	90.1	Very high	91.8	Very high	159 Å²	159	56.1 Å²	56.1	69%	0.691	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.9	-5.3	176.6	-71.2	-178.7	-177.2	-173.6	0	114	K381 R382 A383	K381-K385 WeakPolarHBondContact O-CD 3.49Å; K381-K385 VanDerWaalsContact O-CG 3.29Å; K381-K385 WeakPolarHBondContact O-CG 3.4Å; R382-K385 PolarHBondContact O-N 3.24Å; A383-K385 PolarHBondContact O-N 3.34Å
386	R	92	Very high	91.1	Very high	181 Å²	181	64.5 Å²	64.5	68%	0.683	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.2	-23.2	-173.2	-67	-175.2	177.7	-175.6	-2.1	114.4	R382 A383	R382-R386 PolarHBondContact O-N 3.41Å; A383-R386 PolarHBondContact O-N 3.46Å
387	H	92.3	Very high	90.4	Very high	73 Å²	73	67.7 Å²	67.7	34%	0.338	32%	0.323	S	S	.	.			trans	-136.7	33.3	-167.8	-55.2	-65	0	0	0	112	A383 E389 E390 L402 Y463	A383-H387 PolarHBondContact O-N 3.08Å; H387-E389 PolarHBondContact O-N 3.37Å; H387-E390 HydrophobicContact CB-CB 4.19Å; H387-E390 IonicContact CG-OE2 2.75Å; H387-E390 IonicContact ND1-OE2 3.23Å; H387-E390 WeakPolarHBondContact O-CB 3.48Å; H387-E390 PolarHBondContact O-N 2.77Å; H387-L402 WeakPolarHBondContact O-CB 3.19Å; H387-L402 WeakPolarHBondContact O-CD2 3.23Å; H387-Y463 VanDerWaalsContact CB-OH 3.22Å; H387-Y463 WeakPolarHBondContact CB-OH 3.34Å
388	L	89.9	Confident	90.2	Very high	51 Å²	51	74.3 Å²	74.3	27%	0.267	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-42.9	-179.3	-78.6	171.4	0	0	0	113	M384 E390 L402 R403	M384-L388 HydrophobicContact CB-CD2 4.5Å; M384-L388 WeakPolarHBondContact O-CD2 3.33Å; M384-L388 VanDerWaalsContact O-CG 3.29Å; M384-L388 WeakPolarHBondContact O-CG 3.36Å; L388-E390 PolarHBondContact O-N 2.95Å; L388-L402 PolarHBondContact O-N 3.48Å; L388-R403 HydrophobicContact CB-CB 4.35Å; L388-R403 HydrophobicContact CD2-CB 4.36Å; L388-R403 WeakPolarHBondContact O-CB 3.28Å; L388-R403 PolarHBondContact O-N 3.22Å
389	E	91.8	Very high	90	Very high	116 Å²	116	73.3 Å²	73.3	54%	0.542	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	8.4	-178.6	-36.9	-51	138.8	0	0	112.7	H387 R403	H387-E389 PolarHBondContact O-N 3.37Å; E389-R403 IonicContact OE1-CZ 3.27Å; E389-R403 IonicContact OE1-NE 3.33Å; E389-R403 PolarHBondContact OE1-NE 3.08Å; E389-R403 VanDerWaalsContact OE1-NE 3.12Å; E389-R403 IonicContact OE1-NH2 2.61Å; E389-R403 PolarHBondContact OE1-NH2 2.84Å; E389-R403 IonicContact OE2-NE 2.74Å; E389-R403 PolarHBondContact OE2-NE 3.36Å
390	E	92.7	Very high	89.9	Confident	43 Å²	43	73.7 Å²	73.7	20%	0.201	35%	0.348	C	S	.	.	S	Bend	trans	-77.5	131.8	174.4	-167.9	165.9	159	0	0	109.5	H387 L388 V392 T401 L402 K462	H387-E390 HydrophobicContact CB-CB 4.19Å; H387-E390 IonicContact CG-OE2 2.75Å; H387-E390 IonicContact ND1-OE2 3.23Å; H387-E390 WeakPolarHBondContact O-CB 3.48Å; H387-E390 PolarHBondContact O-N 2.77Å; L388-E390 PolarHBondContact O-N 2.95Å; E390-V392 PolarHBondContact O-N 3.23Å; E390-T401 CarbonylContact O-C 3.18Å; E390-T401 WeakPolarHBondContact O-CA 3.47Å; E390-L402 PolarHBondContact O-N 3.13Å; E390-K462 WeakPolarHBondContact OE1-CD 3.37Å; E390-K462 IonicContact OE1-NZ 2.98Å; E390-K462 PolarHBondContact OE1-NZ 3.12Å; E390-K462 IonicContact OE2-NZ 3.12Å; E390-K462 PolarHBondContact OE2-NZ 2.94Å
391	I	92.7	Very high	89.9	Confident	66 Å²	66	74.7 Å²	74.7	34%	0.338	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	117.2	179.1	-65.3	173.4	0	0	0	108.7	E399 Q400 T401 K458 I459	I391-E399 HydrophobicContact CD1-CB 4.46Å; I391-E399 HydrophobicContact CG2-CB 3.83Å; I391-E399 HydrophobicContact CG2-CG 4.43Å; I391-Q400 WeakPolarHBondContact CA-O 3.42Å; I391-T401 HydrophobicContact CG1-CG2 4.31Å; I391-K458 HydrophobicContact CG2-CG 4.37Å; I391-I459 WeakPolarHBondContact O-CG2 3.25Å
392	V	91.3	Very high	89.9	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	-18.4	-168	-65.6	0	0	0	0	115	E390 Q400 L402 V405 I451 I459 Y463	E390-V392 PolarHBondContact O-N 3.23Å; V392-Q400 PolarHBondContact N-O 3.39Å; V392-L402 HydrophobicContact CG1-CB 4.08Å; V392-L402 HydrophobicContact CG1-CD1 4.3Å; V392-L402 HydrophobicContact CG2-CB 3.99Å; V392-L402 HydrophobicContact CG2-CD1 3.97Å; V392-V405 HydrophobicContact CG2-CG2 4.07Å; V392-I451 HydrophobicContact CB-CD1 4.13Å; V392-I451 HydrophobicContact CB-CG1 4.11Å; V392-I451 HydrophobicContact CB-CG2 4.14Å; V392-I451 HydrophobicContact CG1-CG2 4.42Å; V392-I451 HydrophobicContact CG2-CD1 3.67Å; V392-I451 HydrophobicContact CG2-CG1 4.21Å; V392-I459 HydrophobicContact CG1-CD1 4.43Å; V392-I459 HydrophobicContact CG1-CG2 4.23Å; V392-Y463 HydrophobicContact CG1-CE2 3.97Å
393	H	89.3	Confident	89.7	Confident	23 Å²	23	72.6 Å²	72.6	11%	0.106	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	163.8	-179.5	-169.7	61.4	0	0	0	110.9	Q400 V405 V447 E450 I451	H393-Q400 PolarHBondContact N-O 3.32Å; H393-Q400 PolarHBondContact O-N 3.33Å; H393-V405 HydrophobicContact CB-CG2 4.18Å; H393-V447 HydrophobicContact CB-CG1 4.33Å; H393-E450 IonicContact CE1-OE1 3.51Å; H393-E450 IonicContact CE1-OE2 3.64Å; H393-E450 PolarHBondContact CE1-OE2 3.29Å; H393-E450 VanDerWaalsContact CE1-OE2 3.28Å; H393-E450 IonicContact ND1-OE1 3.38Å; H393-E450 PolarHBondContact ND1-OE1 3.24Å; H393-E450 IonicContact ND1-OE2 3.84Å; H393-E450 PolarHBondContact ND1-OE2 3Å; H393-I451 HydrophobicContact CB-CD1 4.37Å
394	V	87.6	Confident	89.7	Confident	57 Å²	57	74.8 Å²	74.8	35%	0.345	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	104.3	177.9	-175.2	0	0	0	0	109.2	R398 E399 K458	V394-R398 CarbonylContact C-O 3.52Å; V394-R398 WeakPolarHBondContact CA-O 3.35Å; V394-E399 HydrophobicContact CG2-CG 4.29Å; V394-K458 HydrophobicContact CG2-CD 3.67Å; V394-K458 HydrophobicContact CG2-CG 4Å
395	E	83.1	Confident	89.7	Confident	94 Å²	94	74.2 Å²	74.2	44%	0.439	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	123.2	-179.3	-170.4	-177.9	-177	0	0	109.9	G397 R398 Q400	E395-G397 PolarHBondContact O-N 3.24Å; E395-R398 PolarHBondContact N-O 3.08Å; E395-R398 PolarHBondContact O-N 3.22Å; E395-Q400 PolarHBondContact OE2-NE2 3.44Å
396	Q	79.1	Confident	89.7	Confident	191 Å²	191	66.9 Å²	66.9	89%	0.893	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	26.6	179.7	-58.9	177.5	33.6	0	0	114.5
397	G	81	Confident	89.6	Confident	67 Å²	67	63.9 Å²	63.9	69%	0.691	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.6	-3.6	-176.6	0	0	0	0	0	115.3	E395	E395-G397 PolarHBondContact O-N 3.24Å
398	R	88.4	Confident	89.3	Confident	158 Å²	158	64.5 Å²	64.5	60%	0.596	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.8	125.3	166.2	172.8	173.6	176.1	169.4	-1.8	109.5	V394 E395 E404	V394-R398 CarbonylContact C-O 3.52Å; V394-R398 WeakPolarHBondContact CA-O 3.35Å; E395-R398 PolarHBondContact N-O 3.08Å; E395-R398 PolarHBondContact O-N 3.22Å; R398-E404 IonicContact CZ-OE1 3.54Å; R398-E404 IonicContact NE-OE1 2.74Å; R398-E404 IonicContact NH2-OE1 2.8Å; R398-E404 PolarHBondContact NH2-OE1 3.07Å
399	E	91.8	Very high	89.2	Confident	95 Å²	95	64 Å²	64	44%	0.444	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	137	168.1	-57.8	-163.5	133.6	0	0	110.4	I391 V394 K458	I391-E399 HydrophobicContact CD1-CB 4.46Å; I391-E399 HydrophobicContact CG2-CB 3.83Å; I391-E399 HydrophobicContact CG2-CG 4.43Å; V394-E399 HydrophobicContact CG2-CG 4.29Å; E399-K458 VanDerWaalsContact OE1-CE 3.25Å; E399-K458 WeakPolarHBondContact OE1-CE 3.28Å; E399-K458 IonicContact OE1-NZ 3.96Å; E399-K458 PolarHBondContact OE1-NZ 3.44Å
400	Q	92.3	Very high	88.8	Confident	21 Å²	21	65.3 Å²	65.3	10%	0.098	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	132.4	179	-70	176.7	-9.5	0	0	110.8	I391 V392 H393 E395 E404 V405	I391-Q400 WeakPolarHBondContact CA-O 3.42Å; V392-Q400 PolarHBondContact N-O 3.39Å; H393-Q400 PolarHBondContact N-O 3.32Å; H393-Q400 PolarHBondContact O-N 3.33Å; E395-Q400 PolarHBondContact OE2-NE2 3.44Å; Q400-E404 HydrophobicContact CB-CB 4.41Å; Q400-V405 HydrophobicContact CB-CG2 4.01Å
401	T	93.4	Very high	88.4	Confident	23 Å²	23	65.2 Å²	65.2	14%	0.141	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	157.4	168.9	57.3	0	0	0	0	111.6	E390 I391 R403 E404 V405	E390-T401 CarbonylContact O-C 3.18Å; E390-T401 WeakPolarHBondContact O-CA 3.47Å; I391-T401 HydrophobicContact CG1-CG2 4.31Å; T401-R403 PolarHBondContact O-N 3.19Å; T401-E404 WeakPolarHBondContact CB-OE2 3.41Å; T401-E404 WeakPolarHBondContact CG2-OE2 3.21Å; T401-E404 PolarHBondContact N-OE2 3.22Å; T401-E404 PolarHBondContact O-N 2.96Å; T401-E404 VanDerWaalsContact OG1-CG 3.31Å; T401-E404 WeakPolarHBondContact OG1-CG 3.36Å; T401-E404 PolarHBondContact OG1-N 3.14Å; T401-E404 PolarHBondContact OG1-OE2 2.93Å; T401-V405 PolarHBondContact O-N 3.49Å; T401-V405 VanDerWaalsContact O-N 3.09Å
402	L	92.1	Very high	87.9	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-57.8	-32.6	174.3	-173.4	67.5	0	0	0	111.5	A383 H387 L388 E390 V392 F406 I451 F452	A383-L402 HydrophobicContact CB-CD2 4.01Å; H387-L402 WeakPolarHBondContact O-CB 3.19Å; H387-L402 WeakPolarHBondContact O-CD2 3.23Å; L388-L402 PolarHBondContact O-N 3.48Å; E390-L402 PolarHBondContact O-N 3.13Å; V392-L402 HydrophobicContact CG1-CB 4.08Å; V392-L402 HydrophobicContact CG1-CD1 4.3Å; V392-L402 HydrophobicContact CG2-CB 3.99Å; V392-L402 HydrophobicContact CG2-CD1 3.97Å; L402-F406 HydrophobicContact CD1-CD2 4.12Å; L402-F406 HydrophobicContact CD1-CE2 3.86Å; L402-F406 HydrophobicContact CG-CD2 4.25Å; L402-F406 HydrophobicContact CG-CE2 4.32Å; L402-F406 WeakPolarHBondContact O-CD2 3.34Å; L402-F406 PolarHBondContact O-N 2.87Å; L402-I451 HydrophobicContact CD1-CG2 4.39Å; L402-F452 HydrophobicContact CD1-CE2 4.38Å; L402-F452 HydrophobicContact CD1-CZ 4.08Å
403	R	91.3	Very high	87.3	Confident	88 Å²	88	66.8 Å²	66.8	33%	0.332	35%	0.35	S	S	.	.	H	α-helix	trans	-54.2	-60.6	167.4	171.6	-172	-66.7	-74.5	-0.2	111.7	L388 E389 T401 V405 F406 E407	L388-R403 HydrophobicContact CB-CB 4.35Å; L388-R403 HydrophobicContact CD2-CB 4.36Å; L388-R403 WeakPolarHBondContact O-CB 3.28Å; L388-R403 PolarHBondContact O-N 3.22Å; E389-R403 IonicContact OE1-CZ 3.27Å; E389-R403 IonicContact OE1-NE 3.33Å; E389-R403 PolarHBondContact OE1-NE 3.08Å; E389-R403 VanDerWaalsContact OE1-NE 3.12Å; E389-R403 IonicContact OE1-NH2 2.61Å; E389-R403 PolarHBondContact OE1-NH2 2.84Å; E389-R403 IonicContact OE2-NE 2.74Å; E389-R403 PolarHBondContact OE2-NE 3.36Å; T401-R403 PolarHBondContact O-N 3.19Å; R403-V405 VanDerWaalsContact C-N 3.27Å; R403-V405 PolarHBondContact O-N 2.78Å; R403-F406 PolarHBondContact O-N 3.48Å; R403-F406 VanDerWaalsContact O-N 3.11Å; R403-E407 HydrophobicContact CG-CG 4.25Å; R403-E407 WeakPolarHBondContact CG-OE1 3.19Å; R403-E407 IonicContact NH1-OE1 3.57Å; R403-E407 PolarHBondContact NH1-OE1 3.39Å; R403-E407 VanDerWaalsContact NH1-OE1 3.14Å; R403-E407 WeakPolarHBondContact O-CB 3.3Å; R403-E407 WeakPolarHBondContact O-CG 3.33Å; R403-E407 PolarHBondContact O-N 3.26Å
404	E	91.3	Very high	86.9	Confident	51 Å²	51	75.3 Å²	75.3	24%	0.238	38%	0.383	C	S	.	.	H	α-helix	trans	-59.9	-35.6	-175.4	-74.2	162.6	111.1	0	0	112.6	R398 Q400 T401 E407 S408	R398-E404 IonicContact CZ-OE1 3.54Å; R398-E404 IonicContact NE-OE1 2.74Å; R398-E404 IonicContact NH2-OE1 2.8Å; R398-E404 PolarHBondContact NH2-OE1 3.07Å; Q400-E404 HydrophobicContact CB-CB 4.41Å; T401-E404 WeakPolarHBondContact CB-OE2 3.41Å; T401-E404 WeakPolarHBondContact CG2-OE2 3.21Å; T401-E404 PolarHBondContact N-OE2 3.22Å; T401-E404 PolarHBondContact O-N 2.96Å; T401-E404 VanDerWaalsContact OG1-CG 3.31Å; T401-E404 WeakPolarHBondContact OG1-CG 3.36Å; T401-E404 PolarHBondContact OG1-N 3.14Å; T401-E404 PolarHBondContact OG1-OE2 2.93Å; E404-E407 PolarHBondContact O-N 2.9Å; E404-S408 WeakPolarHBondContact O-CB 3.49Å; E404-S408 PolarHBondContact O-N 2.9Å; E404-S408 PolarHBondContact O-OG 3.07Å
405	V	90.9	Very high	86.6	Confident	1 Å²	1	76.3 Å²	76.3	1%	0.006	39%	0.386	C	S	.	.	H	α-helix	trans	-64.8	-38.9	176.4	175.6	0	0	0	0	112.2	V392 H393 Q400 T401 R403 S408 M409 V447 L448 I451	V392-V405 HydrophobicContact CG2-CG2 4.07Å; H393-V405 HydrophobicContact CB-CG2 4.18Å; Q400-V405 HydrophobicContact CB-CG2 4.01Å; T401-V405 PolarHBondContact O-N 3.49Å; T401-V405 VanDerWaalsContact O-N 3.09Å; R403-V405 VanDerWaalsContact C-N 3.27Å; R403-V405 PolarHBondContact O-N 2.78Å; V405-S408 PolarHBondContact O-OG 3.29Å; V405-S408 VanDerWaalsContact O-OG 3.04Å; V405-M409 HydrophobicContact CG1-CE 3.83Å; V405-M409 HydrophobicContact CG1-SD 4.39Å; V405-M409 VanDerWaalsContact O-CG 3.3Å; V405-M409 WeakPolarHBondContact O-CG 3.17Å; V405-M409 PolarHBondContact O-N 2.74Å; V405-V447 HydrophobicContact CG1-CG1 3.93Å; V405-L448 HydrophobicContact CG1-CD2 4.31Å; V405-I451 HydrophobicContact CG1-CD1 3.99Å; V405-I451 HydrophobicContact CG2-CD1 4.34Å
406	F	89.8	Confident	86.7	Confident	5 Å²	5	72 Å²	72	2%	0.022	37%	0.366	C	S	.	.	H	α-helix	trans	-80.8	-30.4	176.4	-84.4	-74	0	0	0	112.9	I380 M384 L402 R403 N410 L411 L416 L448 F452	I380-F406 HydrophobicContact CG2-CE1 4.48Å; I380-F406 HydrophobicContact CG2-CE2 4.36Å; I380-F406 HydrophobicContact CG2-CZ 3.67Å; M384-F406 HydrophobicContact CE-CB 3.86Å; M384-F406 HydrophobicContact CE-CD1 3.54Å; M384-F406 HydrophobicContact CE-CD2 3.73Å; M384-F406 HydrophobicContact CE-CE1 3.98Å; M384-F406 HydrophobicContact CE-CE2 4.14Å; M384-F406 HydrophobicContact CE-CG 3.41Å; M384-F406 VanDerWaalsContact CE-CG 3.41Å; M384-F406 HydrophobicContact CE-CZ 4.27Å; M384-F406 HydrophobicContact CG-CD2 3.9Å; M384-F406 HydrophobicContact CG-CE2 3.68Å; M384-F406 HydrophobicContact CG-CZ 4.16Å; M384-F406 HydrophobicContact SD-CD1 4.06Å; M384-F406 HydrophobicContact SD-CD2 4.03Å; M384-F406 HydrophobicContact SD-CE1 3.85Å; M384-F406 HydrophobicContact SD-CE2 3.81Å; M384-F406 HydrophobicContact SD-CG 4.16Å; M384-F406 HydrophobicContact SD-CZ 3.73Å; L402-F406 HydrophobicContact CD1-CD2 4.12Å; L402-F406 HydrophobicContact CD1-CE2 3.86Å; L402-F406 HydrophobicContact CG-CD2 4.25Å; L402-F406 HydrophobicContact CG-CE2 4.32Å; L402-F406 WeakPolarHBondContact O-CD2 3.34Å; L402-F406 PolarHBondContact O-N 2.87Å; R403-F406 PolarHBondContact O-N 3.48Å; R403-F406 VanDerWaalsContact O-N 3.11Å; F406-N410 PolarHBondContact O-N 2.91Å; F406-L411 HydrophobicContact CD1-CB 4.26Å; F406-L411 PolarHBondContact O-N 3.28Å; F406-L416 HydrophobicContact CE1-CD1 4.08Å; F406-L448 HydrophobicContact CE1-CD1 4.36Å; F406-L448 HydrophobicContact CE1-CD2 4.2Å; F406-L448 HydrophobicContact CE2-CD2 4.2Å; F406-L448 HydrophobicContact CZ-CD1 4.48Å; F406-L448 HydrophobicContact CZ-CD2 3.75Å; F406-F452 HydrophobicContact CE2-CE2 4.43Å; F406-F452 HydrophobicContact CZ-CE2 4.49Å
407	E	89.5	Confident	87.1	Confident	118 Å²	118	64.6 Å²	64.6	55%	0.551	34%	0.335	S	S	*	.	H	α-helix	trans	-69.8	-35.9	173.7	-72.3	174.6	-174.4	0	0	111.7	R403 E404 N410	R403-E407 HydrophobicContact CG-CG 4.25Å; R403-E407 WeakPolarHBondContact CG-OE1 3.19Å; R403-E407 IonicContact NH1-OE1 3.57Å; R403-E407 PolarHBondContact NH1-OE1 3.39Å; R403-E407 VanDerWaalsContact NH1-OE1 3.14Å; R403-E407 WeakPolarHBondContact O-CB 3.3Å; R403-E407 WeakPolarHBondContact O-CG 3.33Å; R403-E407 PolarHBondContact O-N 3.26Å; E404-E407 PolarHBondContact O-N 2.9Å; E407-N410 PolarHBondContact O-N 2.79Å; E407-N410 VanDerWaalsContact O-N 3.13Å
408	S	87.3	Confident	87.1	Confident	86 Å²	86	63.3 Å²	63.3	60%	0.601	31%	0.314	S	S	*	.	H	α-helix	trans	-69.7	-34.8	174.9	68.5	0	0	0	0	113.1	E404 V405 N410	E404-S408 WeakPolarHBondContact O-CB 3.49Å; E404-S408 PolarHBondContact O-N 2.9Å; E404-S408 PolarHBondContact O-OG 3.07Å; V405-S408 PolarHBondContact O-OG 3.29Å; V405-S408 VanDerWaalsContact O-OG 3.04Å; S408-N410 PolarHBondContact O-N 3.39Å
409	M	85.9	Confident	86.8	Confident	41 Å²	41	62 Å²	62	20%	0.202	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-6.9	170.6	-64.7	172.3	-174.7	0	0	113.1	V405 L411 E445 V447 L448	V405-M409 HydrophobicContact CG1-CE 3.83Å; V405-M409 HydrophobicContact CG1-SD 4.39Å; V405-M409 VanDerWaalsContact O-CG 3.3Å; V405-M409 WeakPolarHBondContact O-CG 3.17Å; V405-M409 PolarHBondContact O-N 2.74Å; M409-L411 HydrophobicContact CB-CD1 4.04Å; M409-L411 HydrophobicContact CB-CG 4.34Å; M409-L411 PolarHBondContact O-N 3.21Å; M409-E445 HydrophobicContact CE-CB 3.92Å; M409-E445 HydrophobicContact CE-CG 3.9Å; M409-E445 HydrophobicContact SD-CB 4.43Å; M409-E445 HydrophobicContact SD-CG 4.14Å; M409-V447 HydrophobicContact CE-CB 4.07Å; M409-V447 HydrophobicContact CE-CG1 4.41Å; M409-L448 HydrophobicContact CE-CD2 4.23Å; M409-L448 HydrophobicContact CE-CG 4.03Å; M409-L448 HydrophobicContact SD-CD1 4.01Å; M409-L448 HydrophobicContact SD-CD2 4.12Å; M409-L448 HydrophobicContact SD-CG 4.01Å
410	N	84.9	Confident	86.3	Confident	143 Å²	143	60.1 Å²	60.1	77%	0.765	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	44.6	-175.8	-172.5	64.9	0	0	0	113.3	F406 E407 S408	F406-N410 PolarHBondContact O-N 2.91Å; E407-N410 PolarHBondContact O-N 2.79Å; E407-N410 VanDerWaalsContact O-N 3.13Å; S408-N410 PolarHBondContact O-N 3.39Å
411	L	83.9	Confident	85.8	Confident	42 Å²	42	59.2 Å²	59.2	22%	0.22	31%	0.31	C	S	.	.			trans	-127.7	129	-176.4	-72.5	170.6	0	0	0	112.2	F406 M409 L416 I443	F406-L411 HydrophobicContact CD1-CB 4.26Å; F406-L411 PolarHBondContact O-N 3.28Å; M409-L411 HydrophobicContact CB-CD1 4.04Å; M409-L411 HydrophobicContact CB-CG 4.34Å; M409-L411 PolarHBondContact O-N 3.21Å; L411-L416 HydrophobicContact CD1-CD2 4.35Å; L411-I443 HydrophobicContact CD1-CD1 3.58Å; L411-I443 HydrophobicContact CD1-CG2 4.08Å
412	T	81.8	Confident	85.3	Confident	75 Å²	75	62.5 Å²	62.5	46%	0.46	33%	0.327	S	S	.	.			trans	-99.8	162.7	173.2	84.1	0	0	0	0	112.3	Y414 D415	T412-Y414 PolarHBondContact O-N 3.41Å; T412-Y414 WeakPolarHBondContact OG1-CB 3.38Å; T412-Y414 PolarHBondContact OG1-N 3.18Å; T412-Y414 VanDerWaalsContact OG1-N 3.16Å; T412-D415 WeakPolarHBondContact CA-OD2 3.44Å; T412-D415 WeakPolarHBondContact CB-OD2 3.23Å; T412-D415 WeakPolarHBondContact CG2-OD2 3.1Å; T412-D415 PolarHBondContact N-OD2 3.19Å; T412-D415 PolarHBondContact O-N 2.88Å; T412-D415 VanDerWaalsContact O-N 3.14Å; T412-D415 PolarHBondContact OG1-OD2 3.5Å
413	A	79.4	Confident	84.8	Confident	24 Å²	24	62.5 Å²	62.5	20%	0.198	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-7.4	173.6	0	0	0	0	0	114	K381 M384	K381-A413 PolarHBondContact NZ-O 2.7Å; M384-A413 HydrophobicContact CB-CB 4.08Å; M384-A413 HydrophobicContact CE-CB 3.88Å; M384-A413 HydrophobicContact SD-CB 3.88Å
414	Y	79.8	Confident	84.5	Confident	202 Å²	202	60 Å²	60	79%	0.792	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-52.8	169.2	-176.5	-100.1	0	0	0	110.3	K381 T412 L416	K381-Y414 PolarHBondContact NZ-O 2.64Å; K381-Y414 VanDerWaalsContact NZ-O 3.11Å; T412-Y414 PolarHBondContact O-N 3.41Å; T412-Y414 WeakPolarHBondContact OG1-CB 3.38Å; T412-Y414 PolarHBondContact OG1-N 3.18Å; T412-Y414 VanDerWaalsContact OG1-N 3.16Å; Y414-L416 VanDerWaalsContact C-N 3.32Å; Y414-L416 PolarHBondContact O-N 3.35Å
415	D	81.7	Confident	83.8	Confident	77 Å²	77	58.1 Å²	58.1	41%	0.412	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-30.3	-168.3	-45.2	-54.3	0	0	0	113.8	T412 S417	T412-D415 WeakPolarHBondContact CA-OD2 3.44Å; T412-D415 WeakPolarHBondContact CB-OD2 3.23Å; T412-D415 WeakPolarHBondContact CG2-OD2 3.1Å; T412-D415 PolarHBondContact N-OD2 3.19Å; T412-D415 PolarHBondContact O-N 2.88Å; T412-D415 VanDerWaalsContact O-N 3.14Å; T412-D415 PolarHBondContact OG1-OD2 3.5Å; D415-S417 PolarHBondContact O-N 3.43Å
416	L	85.5	Confident	83.2	Confident	3 Å²	3	61 Å²	61	2%	0.016	33%	0.327	C	S	.	.			trans	-57.8	109.5	177	-62	179.4	0	0	0	111.5	L377 I380 K381 M384 F406 L411 Y414 T420 I443	L377-L416 HydrophobicContact CD1-CB 3.82Å; I380-L416 HydrophobicContact CG2-CD1 3.93Å; K381-L416 WeakPolarHBondContact CE-O 3.35Å; K381-L416 PolarHBondContact NZ-O 3Å; M384-L416 HydrophobicContact CE-CD1 4.48Å; M384-L416 HydrophobicContact SD-CD1 3.57Å; M384-L416 VanDerWaalsContact SD-CD1 3.57Å; F406-L416 HydrophobicContact CE1-CD1 4.08Å; L411-L416 HydrophobicContact CD1-CD2 4.35Å; Y414-L416 VanDerWaalsContact C-N 3.32Å; Y414-L416 PolarHBondContact O-N 3.35Å; L416-T420 WeakPolarHBondContact CA-OG1 3.43Å; L416-I443 HydrophobicContact CD2-CD1 3.4Å
417	S	87.1	Confident	82.4	Confident	37 Å²	37	72.2 Å²	72.2	26%	0.259	37%	0.369	S	S	.	.			trans	-97.7	-172.9	166.1	87.1	0	0	0	0	110.7	L377 D415 D419 T420	L377-S417 WeakPolarHBondContact CD1-O 3.47Å; L377-S417 WeakPolarHBondContact CD2-O 3.48Å; D415-S417 PolarHBondContact O-N 3.43Å; S417-D419 WeakPolarHBondContact OG-CB 3.38Å; S417-D419 PolarHBondContact OG-N 2.83Å; S417-D419 PolarHBondContact OG-OD2 3.23Å; S417-T420 PolarHBondContact N-OG1 3.17Å; S417-T420 PolarHBondContact O-OG1 3.36Å; S417-T420 PolarHBondContact OG-N 2.85Å
418	V	81.8	Confident	81.8	Confident	40 Å²	40	71.3 Å²	71.3	24%	0.242	37%	0.368	C	S	.	.	S	Bend	trans	-70.9	-44.4	167.2	172.3	0	0	0	0	109.4	Q373 L377 T420 L421	Q373-V418 HydrophobicContact CB-CG1 4.16Å; Q373-V418 HydrophobicContact CG-CG1 3.74Å; L377-V418 HydrophobicContact CD2-CB 4.49Å; L377-V418 HydrophobicContact CD2-CG2 3.66Å; V418-T420 PolarHBondContact O-N 3.39Å; V418-L421 WeakPolarHBondContact O-CB 3.49Å; V418-L421 PolarHBondContact O-N 3.17Å; V418-L421 VanDerWaalsContact O-N 3.1Å
419	D	80.8	Confident	81	Confident	131 Å²	131	67.2 Å²	67.2	70%	0.701	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-63.2	-38.5	-179.4	-29.1	-84.2	0	0	0	111.9	S417 L421 D422	S417-D419 WeakPolarHBondContact OG-CB 3.38Å; S417-D419 PolarHBondContact OG-N 2.83Å; S417-D419 PolarHBondContact OG-OD2 3.23Å; D419-L421 PolarHBondContact O-N 2.95Å; D419-D422 PolarHBondContact O-N 2.85Å
420	T	82.7	Confident	80.2	Confident	55 Å²	55	68.3 Å²	68.3	34%	0.337	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-68.5	-16.9	176.5	66.4	0	0	0	0	113.5	L416 S417 V418 I443	L416-T420 WeakPolarHBondContact CA-OG1 3.43Å; S417-T420 PolarHBondContact N-OG1 3.17Å; S417-T420 PolarHBondContact O-OG1 3.36Å; S417-T420 PolarHBondContact OG-N 2.85Å; V418-T420 PolarHBondContact O-N 3.39Å; T420-I443 WeakPolarHBondContact O-CG2 3.32Å
421	L	81.6	Confident	79.4	Confident	1 Å²	1	64.8 Å²	64.8	1%	0.005	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-71.9	-23	171.4	-67.2	-174.4	0	0	0	111.7	L376 L377 I380 V418 D419 V423 P442 I443	L376-L421 HydrophobicContact CG-CD1 4.48Å; L377-L421 HydrophobicContact CB-CD1 3.77Å; L377-L421 HydrophobicContact CD1-CD1 4.12Å; L377-L421 HydrophobicContact CD1-CD2 4.37Å; L377-L421 HydrophobicContact CD1-CG 4.21Å; I380-L421 HydrophobicContact CD1-CD2 4.27Å; V418-L421 WeakPolarHBondContact O-CB 3.49Å; V418-L421 PolarHBondContact O-N 3.17Å; V418-L421 VanDerWaalsContact O-N 3.1Å; D419-L421 PolarHBondContact O-N 2.95Å; L421-V423 HydrophobicContact CB-CG1 4.2Å; L421-V423 HydrophobicContact CB-CG2 4.05Å; L421-V423 WeakPolarHBondContact O-CG1 3.18Å; L421-V423 PolarHBondContact O-N 2.7Å; L421-P442 HydrophobicContact CD2-CB 4.34Å; L421-I443 HydrophobicContact CD2-CD1 4.44Å; L421-I443 HydrophobicContact CD2-CG1 4.04Å; L421-I443 PolarHBondContact O-N 2.98Å
422	D	82.7	Confident	78.8	Confident	93 Å²	93	68 Å²	68	50%	0.497	33%	0.331	S	S	.	.			trans	45.4	26.7	-176.9	-162.8	43.9	0	0	0	115.3	D419 K439	D419-D422 PolarHBondContact O-N 2.85Å; D422-K439 WeakPolarHBondContact O-CD 3.37Å; D422-K439 PolarHBondContact O-NZ 3.43Å; D422-K439 VanDerWaalsContact O-NZ 3.08Å; D422-K439 IonicContact OD1-NZ 3.47Å; D422-K439 PolarHBondContact OD1-NZ 2.82Å; D422-K439 IonicContact OD2-NZ 2.69Å; D422-K439 PolarHBondContact OD2-NZ 3.28Å
423	V	81.7	Confident	78.4	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	32%	0.315	C	S	.	.			trans	-82.4	-13.1	-177	-69	0	0	0	0	114	Q373 L421 K439 P442 L713 Q714	Q373-V423 HydrophobicContact CB-CG2 3.74Å; L421-V423 HydrophobicContact CB-CG1 4.2Å; L421-V423 HydrophobicContact CB-CG2 4.05Å; L421-V423 WeakPolarHBondContact O-CG1 3.18Å; L421-V423 PolarHBondContact O-N 2.7Å; V423-K439 WeakPolarHBondContact CA-O 3.31Å; V423-P442 HydrophobicContact CG1-CB 4.31Å; V423-P442 HydrophobicContact CG1-CG 4.46Å; V423-L713 HydrophobicContact CB-CD1 4.2Å; V423-L713 HydrophobicContact CB-CG 4.14Å; V423-L713 HydrophobicContact CG2-CD1 3.78Å; V423-L713 HydrophobicContact CG2-CG 4.21Å; V423-Q714 WeakPolarHBondContact O-CG 3.3Å; V423-Q714 PolarHBondContact O-NE2 3.46Å
424	H	83.8	Confident	78	Confident	36 Å²	36	68.9 Å²	68.9	17%	0.167	33%	0.328	C	S	.	.	S	Bend	trans	-81	141	-178.2	-153.7	-79.8	0	0	0	111.5	Q373 K439 Q714 F717	Q373-H424 PolarHBondContact NE2-CD2 3.22Å; Q373-H424 VanDerWaalsContact NE2-CD2 3.29Å; H424-K439 WeakPolarHBondContact O-CD 3.28Å; H424-K439 WeakPolarHBondContact O-CE 3.37Å; H424-K439 PolarHBondContact O-NZ 2.9Å; H424-Q714 PolarHBondContact CD2-O 2.75Å; H424-Q714 PolarHBondContact CE1-O 2.8Å; H424-Q714 VanDerWaalsContact CE1-O 3.27Å; H424-Q714 PolarHBondContact ND1-O 2.7Å; H424-Q714 PolarHBondContact NE2-O 2.86Å; H424-F717 AromaticContact CE1-CE2 3.86Å; H424-F717 AromaticContact CE1-CZ 3.5Å; H424-F717 AromaticContact NE2-CE1 3.7Å; H424-F717 AromaticContact NE2-CE2 3.66Å; H424-F717 AromaticContact NE2-CZ 3.35Å; H424-F717 WeakPolarHBondContact NE2-CZ 3.4Å
425	A	77.6	Confident	77.7	Confident	10 Å²	10	62.8 Å²	62.8	8%	0.083	31%	0.306	C	S	.	.			trans	-67.6	144.5	170.1	0	0	0	0	0	110.6	T429 Q714 F715	A425-T429 HydrophobicContact CB-CG2 4.27Å; A425-Q714 WeakPolarHBondContact CB-O 3.35Å; A425-Q714 PolarHBondContact N-O 3.45Å; A425-F715 HydrophobicContact CB-CD1 3.68Å; A425-F715 HydrophobicContact CB-CE1 3.47Å; A425-F715 VanDerWaalsContact CB-CE1 3.47Å
426	D	77.9	Confident	77.4	Confident	62 Å²	62	59.5 Å²	59.5	33%	0.332	29%	0.288	S	S	.	.			trans	-132.7	178.8	-174.1	80.8	-18.5	0	0	0	112.3	N428 T429	D426-N428 PolarHBondContact O-N 2.98Å; D426-N428 VanDerWaalsContact OD1-CA 3.31Å; D426-N428 WeakPolarHBondContact OD1-CA 3.19Å; D426-N428 VanDerWaalsContact OD1-CB 3.31Å; D426-N428 WeakPolarHBondContact OD1-CB 3.48Å; D426-N428 PolarHBondContact OD1-N 2.68Å; D426-N428 WeakPolarHBondContact OD2-CB 3.34Å; D426-N428 PolarHBondContact OD2-ND2 2.74Å; D426-T429 PolarHBondContact N-OG1 3.4Å; D426-T429 VanDerWaalsContact N-OG1 3.12Å; D426-T429 VanDerWaalsContact O-CB 3.28Å; D426-T429 WeakPolarHBondContact O-CB 3.37Å; D426-T429 PolarHBondContact O-N 3.44Å; D426-T429 PolarHBondContact O-OG1 3.31Å; D426-T429 PolarHBondContact OD1-N 3.19Å; D426-T429 PolarHBondContact OD1-OG1 3.2Å
427	R	72.8	Confident	77.1	Confident	241 Å²	241	62.3 Å²	62.3	91%	0.909	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-17	176.1	-68.7	-175.1	63.9	-170.4	-1.9	114.1
428	N	77	Confident	76.4	Confident	98 Å²	98	62.9 Å²	62.9	52%	0.524	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-7.1	178.5	-57.9	-68.3	0	0	0	112.9	D426 K435	D426-N428 PolarHBondContact O-N 2.98Å; D426-N428 VanDerWaalsContact OD1-CA 3.31Å; D426-N428 WeakPolarHBondContact OD1-CA 3.19Å; D426-N428 VanDerWaalsContact OD1-CB 3.31Å; D426-N428 WeakPolarHBondContact OD1-CB 3.48Å; D426-N428 PolarHBondContact OD1-N 2.68Å; D426-N428 WeakPolarHBondContact OD2-CB 3.34Å; D426-N428 PolarHBondContact OD2-ND2 2.74Å; N428-K435 WeakPolarHBondContact O-CD 3.48Å; N428-K435 PolarHBondContact O-NZ 3.02Å; N428-K435 VanDerWaalsContact O-NZ 3.1Å
429	T	69.9	Low	76.5	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-19.8	-179.2	-50.6	0	0	0	0	112.2	A425 D426 H431 R432 F436 L686	A425-T429 HydrophobicContact CB-CG2 4.27Å; D426-T429 PolarHBondContact N-OG1 3.4Å; D426-T429 VanDerWaalsContact N-OG1 3.12Å; D426-T429 VanDerWaalsContact O-CB 3.28Å; D426-T429 WeakPolarHBondContact O-CB 3.37Å; D426-T429 PolarHBondContact O-N 3.44Å; D426-T429 PolarHBondContact O-OG1 3.31Å; D426-T429 PolarHBondContact OD1-N 3.19Å; D426-T429 PolarHBondContact OD1-OG1 3.2Å; T429-H431 PolarHBondContact O-N 2.93Å; T429-R432 WeakPolarHBondContact O-CA 3.32Å; T429-R432 PolarHBondContact O-N 3.1Å; T429-F436 HydrophobicContact CG2-CB 3.71Å; T429-L686 HydrophobicContact CG2-CD2 3.71Å
430	F	70.8	Confident	76.1	Confident	65 Å²	65	56.2 Å²	56.2	29%	0.285	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	125.4	176.6	-164.6	-96	0	0	0	111.6	R432 S685	F430-R432 PolarHBondContact O-N 3.25Å; F430-S685 VanDerWaalsContact CA-O 3.29Å; F430-S685 WeakPolarHBondContact CA-O 3.43Å; F430-S685 PolarHBondContact N-O 3.46Å
431	H	67.7	Low	75.6	Confident	69 Å²	69	55.2 Å²	55.2	32%	0.319	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.4	27.6	-169.8	-60.6	-32	0	0	0	114.8	T429 L686 F687	T429-H431 PolarHBondContact O-N 2.93Å; H431-L686 PolarHBondContact N-O 3.18Å; H431-L686 PolarHBondContact ND1-O 3.48Å; H431-F687 PolarHBondContact CE1-O 3.3Å; H431-F687 VanDerWaalsContact CE1-O 3.24Å
432	R	71.1	Confident	75.2	Confident	110 Å²	110	55.1 Å²	55.1	42%	0.415	26%	0.263	S	S	.	.			trans	-131.7	70.3	-179	-68.9	-62	-60.3	-109.6	-0.9	111.1	T429 F430 D434 K435 F436	T429-R432 WeakPolarHBondContact O-CA 3.32Å; T429-R432 PolarHBondContact O-N 3.1Å; F430-R432 PolarHBondContact O-N 3.25Å; R432-D434 WeakPolarHBondContact CA-OD1 3.45Å; R432-D434 WeakPolarHBondContact CB-OD1 3.32Å; R432-D434 IonicContact CZ-OD1 3.18Å; R432-D434 IonicContact CZ-OD2 3.44Å; R432-D434 IonicContact NE-OD1 3.74Å; R432-D434 PolarHBondContact NE-OD1 2.91Å; R432-D434 IonicContact NE-OD2 3.19Å; R432-D434 IonicContact NH2-OD1 2.65Å; R432-D434 IonicContact NH2-OD2 2.91Å; R432-D434 PolarHBondContact NH2-OD2 3.45Å; R432-D434 PolarHBondContact O-N 2.5Å; R432-K435 HydrophobicContact CB-CB 4.15Å; R432-K435 HydrophobicContact CB-CD 3.93Å; R432-K435 HydrophobicContact CB-CG 4.15Å; R432-K435 HydrophobicContact CG-CD 4.33Å; R432-K435 WeakPolarHBondContact O-CB 3.43Å; R432-K435 PolarHBondContact O-N 3.33Å; R432-F436 PolarHBondContact O-N 3.41Å
433	F	72.9	Confident	74.9	Confident	30 Å²	30	52.9 Å²	52.9	13%	0.132	25%	0.251	C	S	.	.	H	α-helix	trans	-61	-25.4	179.1	-151.8	-85.8	0	0	0	112.7	F436 N437 D575 L686 F687	F433-F436 HydrophobicContact CD1-CD1 4.16Å; F433-F436 HydrophobicContact CD2-CD1 4.05Å; F433-F436 AromaticContact CE1-CD1 3.92Å; F433-F436 HydrophobicContact CE1-CD1 3.92Å; F433-F436 HydrophobicContact CE1-CE1 4.17Å; F433-F436 AromaticContact CE2-CD1 3.81Å; F433-F436 HydrophobicContact CE2-CD1 3.81Å; F433-F436 AromaticContact CE2-CE1 3.95Å; F433-F436 HydrophobicContact CE2-CE1 3.95Å; F433-F436 HydrophobicContact CG-CD1 4.23Å; F433-F436 AromaticContact CZ-CD1 3.75Å; F433-F436 HydrophobicContact CZ-CD1 3.75Å; F433-F436 AromaticContact CZ-CE1 3.69Å; F433-F436 HydrophobicContact CZ-CE1 3.69Å; F433-F436 PolarHBondContact O-N 2.64Å; F433-N437 WeakPolarHBondContact CD1-ND2 3.48Å; F433-N437 WeakPolarHBondContact O-CB 3.45Å; F433-N437 PolarHBondContact O-N 2.98Å; F433-N437 PolarHBondContact O-ND2 3.36Å; F433-D575 HydrophobicContact CB-CB 4.24Å; F433-D575 WeakPolarHBondContact CB-OD2 3.47Å; F433-D575 HydrophobicContact CD1-CB 3.56Å; F433-D575 HydrophobicContact CD2-CB 4.4Å; F433-D575 HydrophobicContact CE1-CB 3.95Å; F433-D575 HydrophobicContact CG-CB 3.81Å; F433-L686 HydrophobicContact CE2-CD1 4.47Å; F433-F687 HydrophobicContact CD2-CE2 4.46Å; F433-F687 AromaticContact CD2-CZ 3.95Å; F433-F687 HydrophobicContact CD2-CZ 3.95Å; F433-F687 HydrophobicContact CE2-CZ 4.37Å
434	D	71.4	Confident	74.5	Confident	86 Å²	86	55 Å²	55	46%	0.46	27%	0.273	S	S	.	.	H	α-helix	trans	-62.2	-41.8	170.5	68.5	-48.8	0	0	0	112.7	R432 A438	R432-D434 WeakPolarHBondContact CA-OD1 3.45Å; R432-D434 WeakPolarHBondContact CB-OD1 3.32Å; R432-D434 IonicContact CZ-OD1 3.18Å; R432-D434 IonicContact CZ-OD2 3.44Å; R432-D434 IonicContact NE-OD1 3.74Å; R432-D434 PolarHBondContact NE-OD1 2.91Å; R432-D434 IonicContact NE-OD2 3.19Å; R432-D434 IonicContact NH2-OD1 2.65Å; R432-D434 IonicContact NH2-OD2 2.91Å; R432-D434 PolarHBondContact NH2-OD2 3.45Å; R432-D434 PolarHBondContact O-N 2.5Å; D434-A438 PolarHBondContact O-N 2.97Å
435	K	73.4	Confident	74.3	Confident	74 Å²	74	57.4 Å²	57.4	32%	0.322	28%	0.284	S	S	.	.	H	α-helix	trans	-74	-39.7	175.4	-67.9	179.4	-178.7	178.5	0	111.8	N428 R432 N437 A438 K439	N428-K435 WeakPolarHBondContact O-CD 3.48Å; N428-K435 PolarHBondContact O-NZ 3.02Å; N428-K435 VanDerWaalsContact O-NZ 3.1Å; R432-K435 HydrophobicContact CB-CB 4.15Å; R432-K435 HydrophobicContact CB-CD 3.93Å; R432-K435 HydrophobicContact CB-CG 4.15Å; R432-K435 HydrophobicContact CG-CD 4.33Å; R432-K435 WeakPolarHBondContact O-CB 3.43Å; R432-K435 PolarHBondContact O-N 3.33Å; K435-N437 VanDerWaalsContact C-N 3.33Å; K435-N437 PolarHBondContact O-N 3.4Å; K435-A438 WeakPolarHBondContact O-CA 3.42Å; K435-A438 WeakPolarHBondContact O-CB 3.43Å; K435-A438 PolarHBondContact O-N 3.39Å; K435-K439 WeakPolarHBondContact O-CG 3.26Å; K435-K439 PolarHBondContact O-N 3.17Å; K435-K439 VanDerWaalsContact O-N 3.14Å
436	F	75.6	Confident	74.6	Confident	8 Å²	8	60.4 Å²	60.4	4%	0.035	31%	0.305	C	S	.	.	H	α-helix	trans	-56	-47.4	172.3	167.8	-108.8	0	0	0	111.2	T429 R432 F433 A438 K439 Y440 L686 D711 Q714 F715	T429-F436 HydrophobicContact CG2-CB 3.71Å; R432-F436 PolarHBondContact O-N 3.41Å; F433-F436 HydrophobicContact CD1-CD1 4.16Å; F433-F436 HydrophobicContact CD2-CD1 4.05Å; F433-F436 AromaticContact CE1-CD1 3.92Å; F433-F436 HydrophobicContact CE1-CD1 3.92Å; F433-F436 HydrophobicContact CE1-CE1 4.17Å; F433-F436 AromaticContact CE2-CD1 3.81Å; F433-F436 HydrophobicContact CE2-CD1 3.81Å; F433-F436 AromaticContact CE2-CE1 3.95Å; F433-F436 HydrophobicContact CE2-CE1 3.95Å; F433-F436 HydrophobicContact CG-CD1 4.23Å; F433-F436 AromaticContact CZ-CD1 3.75Å; F433-F436 HydrophobicContact CZ-CD1 3.75Å; F433-F436 AromaticContact CZ-CE1 3.69Å; F433-F436 HydrophobicContact CZ-CE1 3.69Å; F433-F436 PolarHBondContact O-N 2.64Å; F436-A438 PolarHBondContact O-N 2.83Å; F436-K439 VanDerWaalsContact O-CB 3.3Å; F436-K439 WeakPolarHBondContact O-CB 3.37Å; F436-K439 PolarHBondContact O-N 3.17Å; F436-Y440 HydrophobicContact CE1-CE2 4.01Å; F436-Y440 AromaticContact CZ-CE2 3.96Å; F436-Y440 HydrophobicContact CZ-CE2 3.96Å; F436-Y440 AromaticContact CZ-CZ 3.94Å; F436-Y440 WeakPolarHBondContact CZ-OH 3.36Å; F436-L686 HydrophobicContact CB-CD2 3.94Å; F436-L686 HydrophobicContact CD1-CD1 4.46Å; F436-L686 HydrophobicContact CD2-CD1 4.3Å; F436-L686 HydrophobicContact CD2-CD2 3.94Å; F436-L686 HydrophobicContact CE2-CD1 4.38Å; F436-L686 HydrophobicContact CG-CD1 4.35Å; F436-L686 HydrophobicContact CG-CD2 3.97Å; F436-L686 HydrophobicContact CZ-CD1 4.49Å; F436-D711 VanDerWaalsContact CZ-OD2 3.31Å; F436-D711 WeakPolarHBondContact CZ-OD2 3.44Å; F436-Q714 HydrophobicContact CD2-CG 4.42Å; F436-Q714 HydrophobicContact CE2-CB 4.46Å; F436-Q714 HydrophobicContact CE2-CG 4.07Å; F436-F715 HydrophobicContact CD2-CZ 4.04Å; F436-F715 HydrophobicContact CE2-CE1 4.5Å; F436-F715 HydrophobicContact CE2-CE2 4.05Å; F436-F715 AromaticContact CE2-CZ 3.56Å; F436-F715 HydrophobicContact CE2-CZ 3.56Å; F436-F715 HydrophobicContact CZ-CZ 4.45Å
437	N	78.9	Confident	75	Confident	62 Å²	62	58.7 Å²	58.7	33%	0.332	30%	0.296	S	S	.	.	H	α-helix	trans	-58	-30.7	174.5	-91.6	-41.2	0	0	0	113.8	F433 K435	F433-N437 WeakPolarHBondContact CD1-ND2 3.48Å; F433-N437 WeakPolarHBondContact O-CB 3.45Å; F433-N437 PolarHBondContact O-N 2.98Å; F433-N437 PolarHBondContact O-ND2 3.36Å; K435-N437 VanDerWaalsContact C-N 3.33Å; K435-N437 PolarHBondContact O-N 3.4Å
438	A	73.3	Confident	75.8	Confident	50 Å²	50	47.2 Å²	47.2	41%	0.413	25%	0.253	S	S	.	.	H	α-helix	trans	-73.5	-27.8	173.8	0	0	0	0	0	113	D434 K435 F436 Y440 N441	D434-A438 PolarHBondContact O-N 2.97Å; K435-A438 WeakPolarHBondContact O-CA 3.42Å; K435-A438 WeakPolarHBondContact O-CB 3.43Å; K435-A438 PolarHBondContact O-N 3.39Å; F436-A438 PolarHBondContact O-N 2.83Å; A438-Y440 PolarHBondContact O-N 3.14Å; A438-Y440 VanDerWaalsContact O-N 3.16Å; A438-N441 WeakPolarHBondContact O-CB 3.43Å; A438-N441 PolarHBondContact O-N 2.91Å
439	K	81.9	Confident	76.4	Confident	15 Å²	15	45.1 Å²	45.1	7%	0.065	24%	0.238	C	C	.	.	H	α-helix	trans	-64.1	-16.4	177.9	-63.8	-60.4	-177.5	-179.8	0	114.3	D422 V423 H424 K435 F436 N441 Q714	D422-K439 WeakPolarHBondContact O-CD 3.37Å; D422-K439 PolarHBondContact O-NZ 3.43Å; D422-K439 VanDerWaalsContact O-NZ 3.08Å; D422-K439 IonicContact OD1-NZ 3.47Å; D422-K439 PolarHBondContact OD1-NZ 2.82Å; D422-K439 IonicContact OD2-NZ 2.69Å; D422-K439 PolarHBondContact OD2-NZ 3.28Å; V423-K439 WeakPolarHBondContact CA-O 3.31Å; H424-K439 WeakPolarHBondContact O-CD 3.28Å; H424-K439 WeakPolarHBondContact O-CE 3.37Å; H424-K439 PolarHBondContact O-NZ 2.9Å; K435-K439 WeakPolarHBondContact O-CG 3.26Å; K435-K439 PolarHBondContact O-N 3.17Å; K435-K439 VanDerWaalsContact O-N 3.14Å; F436-K439 VanDerWaalsContact O-CB 3.3Å; F436-K439 WeakPolarHBondContact O-CB 3.37Å; F436-K439 PolarHBondContact O-N 3.17Å; K439-N441 PolarHBondContact O-N 3.1Å; K439-Q714 HydrophobicContact CB-CG 4Å; K439-Q714 PolarHBondContact O-NE2 2.81Å
440	Y	72.6	Confident	77.4	Confident	16 Å²	16	48 Å²	48	6%	0.063	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-11	168.5	-68.4	-71.1	0	0	0	114.4	F436 A438 P442 R449 D711	F436-Y440 HydrophobicContact CE1-CE2 4.01Å; F436-Y440 AromaticContact CZ-CE2 3.96Å; F436-Y440 HydrophobicContact CZ-CE2 3.96Å; F436-Y440 AromaticContact CZ-CZ 3.94Å; F436-Y440 WeakPolarHBondContact CZ-OH 3.36Å; A438-Y440 PolarHBondContact O-N 3.14Å; A438-Y440 VanDerWaalsContact O-N 3.16Å; Y440-P442 WeakPolarHBondContact O-CD 3.44Å; Y440-R449 VanDerWaalsContact CB-NH2 3.32Å; Y440-R449 VanDerWaalsContact O-CD 3.25Å; Y440-R449 WeakPolarHBondContact O-CD 3.37Å; Y440-R449 WeakPolarHBondContact O-CG 3.46Å; Y440-D711 VanDerWaalsContact CE1-OD1 3.27Å; Y440-D711 WeakPolarHBondContact CE1-OD1 3.37Å; Y440-D711 VanDerWaalsContact CZ-OD1 3.31Å; Y440-D711 VanDerWaalsContact OH-CG 3.26Å; Y440-D711 PolarHBondContact OH-OD1 3.04Å; Y440-D711 PolarHBondContact OH-OD2 2.68Å
441	N	72.2	Confident	78.4	Confident	33 Å²	33	45 Å²	45	18%	0.176	24%	0.238	C	C	.	.	S	Bend	trans	-95.3	107.7	177.5	-58.9	-9.1	0	0	0	109.3	A438 K439 I443 G444 R449	A438-N441 WeakPolarHBondContact O-CB 3.43Å; A438-N441 PolarHBondContact O-N 2.91Å; K439-N441 PolarHBondContact O-N 3.1Å; N441-I443 PolarHBondContact O-N 3.29Å; N441-G444 WeakPolarHBondContact CB-O 3.34Å; N441-G444 PolarHBondContact ND2-O 2.8Å; N441-G444 WeakPolarHBondContact O-CA 3.22Å; N441-G444 PolarHBondContact O-N 3.23Å; N441-R449 WeakPolarHBondContact OD1-CD 3.27Å; N441-R449 PolarHBondContact OD1-NH1 2.65Å
442	P	73.3	Confident	79.7	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-62.3	132.4	179.2	-19.4	32.6	0	0	0	110.8	L376 L421 V423 Y440 G444 E445 L448 I453	L376-P442 HydrophobicContact CD2-CG 4.3Å; L421-P442 HydrophobicContact CD2-CB 4.34Å; V423-P442 HydrophobicContact CG1-CB 4.31Å; V423-P442 HydrophobicContact CG1-CG 4.46Å; Y440-P442 WeakPolarHBondContact O-CD 3.44Å; P442-G444 PolarHBondContact O-N 3.01Å; P442-E445 PolarHBondContact O-N 3.46Å; P442-L448 HydrophobicContact CB-CB 4.12Å; P442-L448 HydrophobicContact CB-CD1 4.43Å; P442-L448 HydrophobicContact CG-CB 4.17Å; P442-I453 HydrophobicContact CG-CD1 3.88Å
443	I	76.9	Confident	80.8	Confident	45 Å²	45	36.6 Å²	36.6	23%	0.231	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	62.6	17.5	-176.1	-32.2	-176.8	0	0	0	111.9	L411 L416 T420 L421 N441 E445 L448	L411-I443 HydrophobicContact CD1-CD1 3.58Å; L411-I443 HydrophobicContact CD1-CG2 4.08Å; L416-I443 HydrophobicContact CD2-CD1 3.4Å; T420-I443 WeakPolarHBondContact O-CG2 3.32Å; L421-I443 HydrophobicContact CD2-CD1 4.44Å; L421-I443 HydrophobicContact CD2-CG1 4.04Å; L421-I443 PolarHBondContact O-N 2.98Å; N441-I443 PolarHBondContact O-N 3.29Å; I443-E445 PolarHBondContact O-N 3.16Å; I443-L448 HydrophobicContact CB-CD1 4.39Å; I443-L448 HydrophobicContact CD1-CD1 3.58Å; I443-L448 HydrophobicContact CG1-CD1 3.84Å
444	G	74	Confident	81.7	Confident	46 Å²	46	38 Å²	38	47%	0.474	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	78.4	-12.1	-168.7	0	0	0	0	0	114.5	N441 P442	N441-G444 WeakPolarHBondContact CB-O 3.34Å; N441-G444 PolarHBondContact ND2-O 2.8Å; N441-G444 WeakPolarHBondContact O-CA 3.22Å; N441-G444 PolarHBondContact O-N 3.23Å; P442-G444 PolarHBondContact O-N 3.01Å
445	E	78.1	Confident	82.8	Confident	85 Å²	85	35.3 Å²	35.3	40%	0.397	20%	0.197	S	C	.	.			trans	-84.8	122.1	-170.2	-75.4	-60.8	158.5	0	0	113.5	M409 P442 I443 V447 L448	M409-E445 HydrophobicContact CE-CB 3.92Å; M409-E445 HydrophobicContact CE-CG 3.9Å; M409-E445 HydrophobicContact SD-CB 4.43Å; M409-E445 HydrophobicContact SD-CG 4.14Å; P442-E445 PolarHBondContact O-N 3.46Å; I443-E445 PolarHBondContact O-N 3.16Å; E445-V447 VanDerWaalsContact C-N 3.3Å; E445-V447 PolarHBondContact O-N 2.9Å; E445-L448 HydrophobicContact CB-CD1 4.38Å; E445-L448 HydrophobicContact CB-CG 4.23Å; E445-L448 PolarHBondContact O-N 3.39Å
446	S	84.3	Confident	83.7	Confident	73 Å²	73	35.6 Å²	35.6	51%	0.51	20%	0.202	S	C	.	.	H	α-helix	trans	-67.7	-30.8	-179.9	58.8	0	0	0	0	112.5	L448 R449 E450	S446-L448 VanDerWaalsContact C-N 3.34Å; S446-L448 PolarHBondContact O-N 3.45Å; S446-R449 WeakPolarHBondContact O-CB 3.37Å; S446-R449 PolarHBondContact O-N 3.41Å; S446-E450 PolarHBondContact O-N 3.49Å
447	V	87.6	Confident	84.5	Confident	26 Å²	26	36 Å²	36	16%	0.158	20%	0.204	C	C	.	.	H	α-helix	trans	-62.8	-39.1	177.5	179.5	0	0	0	0	111.3	H393 V405 M409 E445 R449 E450 I451	H393-V447 HydrophobicContact CB-CG1 4.33Å; V405-V447 HydrophobicContact CG1-CG1 3.93Å; M409-V447 HydrophobicContact CE-CB 4.07Å; M409-V447 HydrophobicContact CE-CG1 4.41Å; E445-V447 VanDerWaalsContact C-N 3.3Å; E445-V447 PolarHBondContact O-N 2.9Å; V447-R449 PolarHBondContact O-N 3.37Å; V447-E450 WeakPolarHBondContact O-CB 3.2Å; V447-E450 PolarHBondContact O-N 2.96Å; V447-I451 HydrophobicContact CG1-CD1 3.75Å; V447-I451 HydrophobicContact CG1-CG1 4.45Å; V447-I451 VanDerWaalsContact O-CG1 3.28Å; V447-I451 WeakPolarHBondContact O-CG1 3.11Å; V447-I451 PolarHBondContact O-N 2.88Å
448	L	89	Confident	85.1	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-69.1	-34.1	176.6	-63.5	-176.3	0	0	0	112	V405 F406 M409 P442 I443 E445 S446 F452	V405-L448 HydrophobicContact CG1-CD2 4.31Å; F406-L448 HydrophobicContact CE1-CD1 4.36Å; F406-L448 HydrophobicContact CE1-CD2 4.2Å; F406-L448 HydrophobicContact CE2-CD2 4.2Å; F406-L448 HydrophobicContact CZ-CD1 4.48Å; F406-L448 HydrophobicContact CZ-CD2 3.75Å; M409-L448 HydrophobicContact CE-CD2 4.23Å; M409-L448 HydrophobicContact CE-CG 4.03Å; M409-L448 HydrophobicContact SD-CD1 4.01Å; M409-L448 HydrophobicContact SD-CD2 4.12Å; M409-L448 HydrophobicContact SD-CG 4.01Å; P442-L448 HydrophobicContact CB-CB 4.12Å; P442-L448 HydrophobicContact CB-CD1 4.43Å; P442-L448 HydrophobicContact CG-CB 4.17Å; I443-L448 HydrophobicContact CB-CD1 4.39Å; I443-L448 HydrophobicContact CD1-CD1 3.58Å; I443-L448 HydrophobicContact CG1-CD1 3.84Å; E445-L448 HydrophobicContact CB-CD1 4.38Å; E445-L448 HydrophobicContact CB-CG 4.23Å; E445-L448 PolarHBondContact O-N 3.39Å; S446-L448 VanDerWaalsContact C-N 3.34Å; S446-L448 PolarHBondContact O-N 3.45Å; L448-F452 HydrophobicContact CD2-CE2 4.32Å; L448-F452 WeakPolarHBondContact O-CB 3.25Å; L448-F452 WeakPolarHBondContact O-CD2 3.32Å; L448-F452 PolarHBondContact O-N 2.56Å
449	R	89.3	Confident	86.1	Confident	54 Å²	54	36 Å²	36	20%	0.204	19%	0.193	C	C	.	.	H	α-helix	trans	-65.5	-42	171.2	-175.4	-177.5	-176.9	174.7	5.3	111.7	Y440 N441 S446 V447 I453 K454	Y440-R449 VanDerWaalsContact CB-NH2 3.32Å; Y440-R449 VanDerWaalsContact O-CD 3.25Å; Y440-R449 WeakPolarHBondContact O-CD 3.37Å; Y440-R449 WeakPolarHBondContact O-CG 3.46Å; N441-R449 WeakPolarHBondContact OD1-CD 3.27Å; N441-R449 PolarHBondContact OD1-NH1 2.65Å; S446-R449 WeakPolarHBondContact O-CB 3.37Å; S446-R449 PolarHBondContact O-N 3.41Å; V447-R449 PolarHBondContact O-N 3.37Å; R449-I453 HydrophobicContact CG-CB 4.23Å; R449-I453 CarbonylContact O-C 3.43Å; R449-I453 VanDerWaalsContact O-CA 3.24Å; R449-I453 WeakPolarHBondContact O-CA 3.35Å; R449-I453 WeakPolarHBondContact O-CB 3.36Å; R449-I453 PolarHBondContact O-N 3.22Å; R449-K454 PolarHBondContact O-N 3.44Å
450	E	90.3	Very high	86.7	Confident	62 Å²	62	39 Å²	39	29%	0.29	22%	0.216	S	C	.	.	H	α-helix	trans	-59.5	-50.7	175.1	-169.4	-163.9	125.3	0	0	110.9	H393 S446 V447 N457	H393-E450 IonicContact CE1-OE1 3.51Å; H393-E450 IonicContact CE1-OE2 3.64Å; H393-E450 PolarHBondContact CE1-OE2 3.29Å; H393-E450 VanDerWaalsContact CE1-OE2 3.28Å; H393-E450 IonicContact ND1-OE1 3.38Å; H393-E450 PolarHBondContact ND1-OE1 3.24Å; H393-E450 IonicContact ND1-OE2 3.84Å; H393-E450 PolarHBondContact ND1-OE2 3Å; S446-E450 PolarHBondContact O-N 3.49Å; V447-E450 WeakPolarHBondContact O-CB 3.2Å; V447-E450 PolarHBondContact O-N 2.96Å; E450-N457 HydrophobicContact CG-CB 4Å; E450-N457 PolarHBondContact O-ND2 3.12Å
451	I	93.1	Very high	87.7	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-66.1	-45	-175.6	-67.8	165.4	0	0	0	112.5	V392 H393 L402 V405 V447 N457 Y463	V392-I451 HydrophobicContact CB-CD1 4.13Å; V392-I451 HydrophobicContact CB-CG1 4.11Å; V392-I451 HydrophobicContact CB-CG2 4.14Å; V392-I451 HydrophobicContact CG1-CG2 4.42Å; V392-I451 HydrophobicContact CG2-CD1 3.67Å; V392-I451 HydrophobicContact CG2-CG1 4.21Å; H393-I451 HydrophobicContact CB-CD1 4.37Å; L402-I451 HydrophobicContact CD1-CG2 4.39Å; V405-I451 HydrophobicContact CG1-CD1 3.99Å; V405-I451 HydrophobicContact CG2-CD1 4.34Å; V447-I451 HydrophobicContact CG1-CD1 3.75Å; V447-I451 HydrophobicContact CG1-CG1 4.45Å; V447-I451 VanDerWaalsContact O-CG1 3.28Å; V447-I451 WeakPolarHBondContact O-CG1 3.11Å; V447-I451 PolarHBondContact O-N 2.88Å; I451-N457 PolarHBondContact O-ND2 3.01Å; I451-Y463 HydrophobicContact CG2-CD2 3.71Å; I451-Y463 HydrophobicContact CG2-CE2 3.91Å
452	F	94.9	Very high	88.9	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-103.3	-20.1	-170.2	-68	-75.1	0	0	0	115.1	F379 I380 A383 L402 F406 L448 Y463 F464	F379-F452 HydrophobicContact CD1-CD1 4.04Å; F379-F452 HydrophobicContact CD1-CE1 4.17Å; F379-F452 HydrophobicContact CE1-CD1 4.11Å; F379-F452 HydrophobicContact CE1-CE1 4.21Å; I380-F452 HydrophobicContact CB-CZ 4.44Å; I380-F452 HydrophobicContact CD1-CD2 4.34Å; I380-F452 HydrophobicContact CG1-CD1 4.14Å; I380-F452 HydrophobicContact CG1-CD2 4.04Å; I380-F452 HydrophobicContact CG1-CE1 4.12Å; I380-F452 HydrophobicContact CG1-CE2 4Å; I380-F452 HydrophobicContact CG1-CG 4.12Å; I380-F452 HydrophobicContact CG1-CZ 4.04Å; I380-F452 HydrophobicContact CG2-CE2 4.34Å; I380-F452 HydrophobicContact CG2-CZ 4.27Å; A383-F452 HydrophobicContact CB-CE1 3.89Å; A383-F452 HydrophobicContact CB-CZ 4.18Å; L402-F452 HydrophobicContact CD1-CE2 4.38Å; L402-F452 HydrophobicContact CD1-CZ 4.08Å; F406-F452 HydrophobicContact CE2-CE2 4.43Å; F406-F452 HydrophobicContact CZ-CE2 4.49Å; L448-F452 HydrophobicContact CD2-CE2 4.32Å; L448-F452 WeakPolarHBondContact O-CB 3.25Å; L448-F452 WeakPolarHBondContact O-CD2 3.32Å; L448-F452 PolarHBondContact O-N 2.56Å; F452-Y463 AromaticContact CD1-CD2 3.8Å; F452-Y463 HydrophobicContact CD1-CD2 3.8Å; F452-Y463 HydrophobicContact CD1-CG 4.08Å; F452-Y463 AromaticContact CE1-CD2 3.6Å; F452-Y463 HydrophobicContact CE1-CD2 3.6Å; F452-Y463 HydrophobicContact CE1-CE2 4Å; F452-Y463 HydrophobicContact CE1-CG 4.08Å; F452-Y463 HydrophobicContact CZ-CD2 4.31Å; F452-Y463 HydrophobicContact CZ-CE2 4.39Å; F452-F464 WeakPolarHBondContact O-CA 3.26Å; F452-F464 WeakPolarHBondContact O-CB 3.35Å
453	I	93.6	Very high	90	Very high	4 Å²	4	39.5 Å²	39.5	2%	0.021	22%	0.217	C	C	.	.	S	Bend	trans	-134.9	30.4	-166.1	-33.6	-177.8	0	0	0	112.1	S368 M371 L376 P442 R449 F464 L713	S368-I453 WeakPolarHBondContact O-CG2 3.4Å; M371-I453 HydrophobicContact CE-CD1 4.33Å; M371-I453 HydrophobicContact CE-CG2 4.4Å; L376-I453 HydrophobicContact CD2-CD1 4.03Å; P442-I453 HydrophobicContact CG-CD1 3.88Å; R449-I453 HydrophobicContact CG-CB 4.23Å; R449-I453 CarbonylContact O-C 3.43Å; R449-I453 VanDerWaalsContact O-CA 3.24Å; R449-I453 WeakPolarHBondContact O-CA 3.35Å; R449-I453 WeakPolarHBondContact O-CB 3.36Å; R449-I453 PolarHBondContact O-N 3.22Å; I453-F464 HydrophobicContact CG2-CD2 4.27Å; I453-F464 HydrophobicContact CG2-CE2 4.11Å; I453-L713 HydrophobicContact CD1-CD2 4.46Å
454	K	93	Very high	90.9	Very high	58 Å²	58	37.7 Å²	37.7	25%	0.252	21%	0.207	S	C	.	.			trans	-131.7	152.9	169.1	-69.5	-65.1	-175.1	-177.8	0	112.2	R449 G461 F464 Y490	R449-K454 PolarHBondContact O-N 3.44Å; K454-G461 VanDerWaalsContact O-CA 3.28Å; K454-G461 WeakPolarHBondContact O-CA 3.4Å; K454-F464 WeakPolarHBondContact O-CB 3.43Å; K454-Y490 PolarHBondContact NZ-OH 2.93Å
455	T	93.4	Very high	92	Very high	30 Å²	30	35.5 Å²	35.5	18%	0.184	18%	0.184	C	C	.	.	S	Bend	trans	-84.4	-41	176.1	49.9	0	0	0	0	111.7	S460 G461 F464 L487 L500 W503	T455-S460 CarbonylContact O-C 3.59Å; T455-G461 VanDerWaalsContact O-CA 3.27Å; T455-G461 WeakPolarHBondContact O-CA 3.38Å; T455-G461 PolarHBondContact O-N 3.14Å; T455-F464 HydrophobicContact CG2-CD1 3.75Å; T455-F464 HydrophobicContact CG2-CE1 3.73Å; T455-L487 HydrophobicContact CG2-CD2 4.22Å; T455-L500 HydrophobicContact CG2-CD1 3.72Å; T455-W503 HydrophobicContact CG2-CD2 3.7Å; T455-W503 HydrophobicContact CG2-CE3 3.87Å; T455-W503 HydrophobicContact CG2-CG 4.25Å; T455-W503 HydrophobicContact CG2-CH2 4.09Å; T455-W503 HydrophobicContact CG2-CZ2 3.92Å; T455-W503 HydrophobicContact CG2-CZ3 4.07Å
456	D	92.1	Very high	92.9	Very high	81 Å²	81	35.2 Å²	35.2	43%	0.433	18%	0.183	S	C	.	.	S	Bend	trans	-101.7	116.9	172.5	-169.7	17.4	0	0	0	109.7	K499	D456-K499 WeakPolarHBondContact OD2-CD 3.47Å; D456-K499 WeakPolarHBondContact OD2-CE 3.39Å; D456-K499 IonicContact OD2-NZ 2.88Å; D456-K499 PolarHBondContact OD2-NZ 2.95Å
457	N	92.8	Very high	93.5	Very high	17 Å²	17	31.8 Å²	31.8	9%	0.091	16%	0.159	C	C	.	.	S	Bend	trans	-165.3	-179.4	175.5	69.7	19.4	0	0	0	109.8	E450 I451 I459 S460 G461	E450-N457 HydrophobicContact CG-CB 4Å; E450-N457 PolarHBondContact O-ND2 3.12Å; I451-N457 PolarHBondContact O-ND2 3.01Å; N457-I459 PolarHBondContact O-N 3.14Å; N457-I459 VanDerWaalsContact O-N 3.12Å; N457-I459 VanDerWaalsContact OD1-C 3.32Å; N457-I459 WeakPolarHBondContact OD1-CA 3.47Å; N457-I459 WeakPolarHBondContact OD1-CG1 3.21Å; N457-I459 PolarHBondContact OD1-N 2.91Å; N457-S460 WeakPolarHBondContact O-CA 3.43Å; N457-S460 PolarHBondContact O-N 2.99Å; N457-S460 PolarHBondContact OD1-N 2.81Å; N457-S460 VanDerWaalsContact OD1-N 3.11Å; N457-G461 PolarHBondContact OD1-N 3.1Å
458	K	92.5	Very high	94	Very high	90 Å²	90	30.5 Å²	30.5	39%	0.391	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-27.8	-179	178.9	57.6	174.4	-178.4	0	115.2	I391 V394 E399	I391-K458 HydrophobicContact CG2-CG 4.37Å; V394-K458 HydrophobicContact CG2-CD 3.67Å; V394-K458 HydrophobicContact CG2-CG 4Å; E399-K458 VanDerWaalsContact OE1-CE 3.25Å; E399-K458 WeakPolarHBondContact OE1-CE 3.28Å; E399-K458 IonicContact OE1-NZ 3.96Å; E399-K458 PolarHBondContact OE1-NZ 3.44Å
459	I	93.3	Very high	94.4	Very high	21 Å²	21	33.7 Å²	33.7	11%	0.108	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	21.2	176.4	60.1	174.3	0	0	0	112.5	I391 V392 N457 G461 K462 Y463	I391-I459 WeakPolarHBondContact O-CG2 3.25Å; V392-I459 HydrophobicContact CG1-CD1 4.43Å; V392-I459 HydrophobicContact CG1-CG2 4.23Å; N457-I459 PolarHBondContact O-N 3.14Å; N457-I459 VanDerWaalsContact O-N 3.12Å; N457-I459 VanDerWaalsContact OD1-C 3.32Å; N457-I459 WeakPolarHBondContact OD1-CA 3.47Å; N457-I459 WeakPolarHBondContact OD1-CG1 3.21Å; N457-I459 PolarHBondContact OD1-N 2.91Å; I459-G461 PolarHBondContact O-N 2.75Å; I459-K462 HydrophobicContact CB-CB 4.34Å; I459-K462 HydrophobicContact CD1-CB 4.24Å; I459-K462 HydrophobicContact CG1-CB 4.31Å; I459-K462 VanDerWaalsContact O-CB 3.25Å; I459-K462 WeakPolarHBondContact O-CB 3.2Å; I459-K462 PolarHBondContact O-N 2.82Å; I459-K462 VanDerWaalsContact O-N 3.14Å; I459-Y463 HydrophobicContact CD1-CD1 4.36Å; I459-Y463 HydrophobicContact CD1-CD2 3.3Å; I459-Y463 HydrophobicContact CD1-CE2 3.55Å; I459-Y463 HydrophobicContact CD1-CG 3.74Å
460	S	93.6	Very high	94.7	Very high	78 Å²	78	33 Å²	33	55%	0.545	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.8	42.1	-178.8	-51.5	0	0	0	0	113	T455 N457 K462 H507	T455-S460 CarbonylContact O-C 3.59Å; N457-S460 WeakPolarHBondContact O-CA 3.43Å; N457-S460 PolarHBondContact O-N 2.99Å; N457-S460 PolarHBondContact OD1-N 2.81Å; N457-S460 VanDerWaalsContact OD1-N 3.11Å; S460-K462 VanDerWaalsContact C-N 3.26Å; S460-K462 PolarHBondContact O-N 2.79Å; S460-H507 PolarHBondContact O-NE2 3.05Å
461	G	94.9	Very high	95	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.6	17.2	176.4	0	0	0	0	0	116	K454 T455 N457 I459 Y463 F464 A465 W503	K454-G461 VanDerWaalsContact O-CA 3.28Å; K454-G461 WeakPolarHBondContact O-CA 3.4Å; T455-G461 VanDerWaalsContact O-CA 3.27Å; T455-G461 WeakPolarHBondContact O-CA 3.38Å; T455-G461 PolarHBondContact O-N 3.14Å; N457-G461 PolarHBondContact OD1-N 3.1Å; I459-G461 PolarHBondContact O-N 2.75Å; G461-Y463 PolarHBondContact O-N 3.36Å; G461-F464 PolarHBondContact O-N 3.22Å; G461-A465 PolarHBondContact O-N 2.79Å; G461-W503 PolarHBondContact O-NE1 2.95Å; G461-W503 VanDerWaalsContact O-NE1 3.09Å
462	K	96.1	Very high	95.1	Very high	56 Å²	56	31.1 Å²	31.1	24%	0.243	16%	0.157	C	C	.	.	H	α-helix	trans	-48.3	-48.4	-179	174.3	-171.1	176.6	-173	0	113.9	E390 I459 S460 H466	E390-K462 WeakPolarHBondContact OE1-CD 3.37Å; E390-K462 IonicContact OE1-NZ 2.98Å; E390-K462 PolarHBondContact OE1-NZ 3.12Å; E390-K462 IonicContact OE2-NZ 3.12Å; E390-K462 PolarHBondContact OE2-NZ 2.94Å; I459-K462 HydrophobicContact CB-CB 4.34Å; I459-K462 HydrophobicContact CD1-CB 4.24Å; I459-K462 HydrophobicContact CG1-CB 4.31Å; I459-K462 VanDerWaalsContact O-CB 3.25Å; I459-K462 WeakPolarHBondContact O-CB 3.2Å; I459-K462 PolarHBondContact O-N 2.82Å; I459-K462 VanDerWaalsContact O-N 3.14Å; S460-K462 VanDerWaalsContact C-N 3.26Å; S460-K462 PolarHBondContact O-N 2.79Å; K462-H466 PolarHBondContact O-CD2 3.39Å; K462-H466 PolarHBondContact O-N 2.81Å; K462-H466 VanDerWaalsContact O-N 3.1Å
463	Y	96.6	Very high	95.2	Very high	4 Å²	4	34.4 Å²	34.4	2%	0.016	18%	0.18	C	C	.	.	H	α-helix	trans	-68.8	-42.2	-179.6	-69.8	-31.8	0	0	0	112.6	F379 A383 H387 V392 I451 F452 I459 G461 H466 I467	F379-Y463 AromaticContact CE1-CD1 3.99Å; F379-Y463 HydrophobicContact CE1-CD1 3.99Å; F379-Y463 HydrophobicContact CE1-CG 4.07Å; F379-Y463 HydrophobicContact CZ-CD1 4.2Å; A383-Y463 HydrophobicContact CB-CE1 4.47Å; H387-Y463 VanDerWaalsContact CB-OH 3.22Å; H387-Y463 WeakPolarHBondContact CB-OH 3.34Å; V392-Y463 HydrophobicContact CG1-CE2 3.97Å; I451-Y463 HydrophobicContact CG2-CD2 3.71Å; I451-Y463 HydrophobicContact CG2-CE2 3.91Å; F452-Y463 AromaticContact CD1-CD2 3.8Å; F452-Y463 HydrophobicContact CD1-CD2 3.8Å; F452-Y463 HydrophobicContact CD1-CG 4.08Å; F452-Y463 AromaticContact CE1-CD2 3.6Å; F452-Y463 HydrophobicContact CE1-CD2 3.6Å; F452-Y463 HydrophobicContact CE1-CE2 4Å; F452-Y463 HydrophobicContact CE1-CG 4.08Å; F452-Y463 HydrophobicContact CZ-CD2 4.31Å; F452-Y463 HydrophobicContact CZ-CE2 4.39Å; I459-Y463 HydrophobicContact CD1-CD1 4.36Å; I459-Y463 HydrophobicContact CD1-CD2 3.3Å; I459-Y463 HydrophobicContact CD1-CE2 3.55Å; I459-Y463 HydrophobicContact CD1-CG 3.74Å; G461-Y463 PolarHBondContact O-N 3.36Å; Y463-H466 WeakPolarHBondContact O-CB 3.25Å; Y463-H466 PolarHBondContact O-N 3.39Å; Y463-H466 VanDerWaalsContact O-N 3.1Å; Y463-I467 WeakPolarHBondContact O-CG1 3.46Å; Y463-I467 PolarHBondContact O-N 2.75Å
464	F	97.2	Very high	95.2	Very high	6 Å²	6	36 Å²	36	3%	0.026	19%	0.188	C	C	.	.	H	α-helix	trans	-62	-45.7	176.9	-175.9	-127.4	0	0	0	111.1	A367 F452 I453 K454 T455 G461 H466 I467 I468 L487 W503	A367-F464 HydrophobicContact CB-CZ 4.14Å; A367-F464 VanDerWaalsContact O-CE2 3.31Å; A367-F464 WeakPolarHBondContact O-CE2 3.11Å; A367-F464 VanDerWaalsContact O-CZ 3.31Å; A367-F464 WeakPolarHBondContact O-CZ 3.29Å; F452-F464 WeakPolarHBondContact O-CA 3.26Å; F452-F464 WeakPolarHBondContact O-CB 3.35Å; I453-F464 HydrophobicContact CG2-CD2 4.27Å; I453-F464 HydrophobicContact CG2-CE2 4.11Å; K454-F464 WeakPolarHBondContact O-CB 3.43Å; T455-F464 HydrophobicContact CG2-CD1 3.75Å; T455-F464 HydrophobicContact CG2-CE1 3.73Å; G461-F464 PolarHBondContact O-N 3.22Å; F464-H466 PolarHBondContact O-N 2.86Å; F464-I467 PolarHBondContact O-N 3.08Å; F464-I467 VanDerWaalsContact O-N 3.08Å; F464-I468 HydrophobicContact CD2-CG1 4.35Å; F464-I468 HydrophobicContact CE1-CG1 4.33Å; F464-I468 HydrophobicContact CE2-CD1 3.85Å; F464-I468 HydrophobicContact CE2-CG1 4.04Å; F464-I468 HydrophobicContact CZ-CD1 3.86Å; F464-I468 HydrophobicContact CZ-CG1 4.03Å; F464-I468 WeakPolarHBondContact O-CG1 3.37Å; F464-I468 PolarHBondContact O-N 2.66Å; F464-L487 HydrophobicContact CE1-CD2 4.31Å; F464-W503 HydrophobicContact CD1-CH2 4.22Å; F464-W503 AromaticContact CD1-CZ2 3.52Å; F464-W503 HydrophobicContact CD1-CZ2 3.52Å; F464-W503 HydrophobicContact CE1-CH2 4.11Å; F464-W503 AromaticContact CE1-CZ2 3.88Å; F464-W503 HydrophobicContact CE1-CZ2 3.88Å; F464-W503 HydrophobicContact CG-CZ2 4.4Å
465	A	97.3	Very high	95.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-57.1	-34.4	172.9	0	0	0	0	0	113.2	G461 K469 W503 H507 V509	G461-A465 PolarHBondContact O-N 2.79Å; A465-K469 WeakPolarHBondContact O-CB 3.28Å; A465-K469 WeakPolarHBondContact O-CE 3.3Å; A465-K469 VanDerWaalsContact O-CG 3.31Å; A465-K469 WeakPolarHBondContact O-CG 3.48Å; A465-K469 PolarHBondContact O-N 3.11Å; A465-K469 VanDerWaalsContact O-N 3.08Å; A465-W503 HydrophobicContact CB-CZ2 4.01Å; A465-H507 HydrophobicContact CB-CB 3.55Å; A465-V509 HydrophobicContact CB-CG2 3.69Å
466	H	96.9	Very high	95.2	Very high	80 Å²	80	37.3 Å²	37.3	37%	0.37	19%	0.194	S	C	.	.	H	α-helix	trans	-73.6	-35.7	175.9	-80.3	-143.1	0	0	0	112.9	F379 K462 Y463 F464 K469 E470	F379-H466 HydrophobicContact CE2-CB 3.81Å; F379-H466 HydrophobicContact CZ-CB 3.7Å; K462-H466 PolarHBondContact O-CD2 3.39Å; K462-H466 PolarHBondContact O-N 2.81Å; K462-H466 VanDerWaalsContact O-N 3.1Å; Y463-H466 WeakPolarHBondContact O-CB 3.25Å; Y463-H466 PolarHBondContact O-N 3.39Å; Y463-H466 VanDerWaalsContact O-N 3.1Å; F464-H466 PolarHBondContact O-N 2.86Å; H466-K469 PolarHBondContact O-N 3.14Å; H466-E470 PolarHBondContact O-N 3.16Å; H466-E470 VanDerWaalsContact O-N 3.09Å
467	I	97	Very high	95.2	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-65.6	-48.7	173.5	-67.2	166.5	0	0	0	110	M371 L376 F379 Y463 F464 K469 E470 V471	M371-I467 HydrophobicContact CB-CG2 4.13Å; M371-I467 HydrophobicContact CE-CG2 4.22Å; M371-I467 HydrophobicContact CG-CG2 3.63Å; M371-I467 HydrophobicContact SD-CG2 3.73Å; L376-I467 HydrophobicContact CD1-CD1 4.05Å; F379-I467 HydrophobicContact CB-CD1 4.48Å; F379-I467 HydrophobicContact CB-CG1 4.23Å; F379-I467 HydrophobicContact CD1-CD1 3.82Å; F379-I467 HydrophobicContact CD1-CG1 3.77Å; F379-I467 HydrophobicContact CD2-CD1 4.49Å; F379-I467 HydrophobicContact CD2-CG1 3.58Å; F379-I467 HydrophobicContact CE1-CD1 4.17Å; F379-I467 HydrophobicContact CE1-CG1 3.99Å; F379-I467 HydrophobicContact CE2-CG1 3.79Å; F379-I467 HydrophobicContact CG-CD1 4Å; F379-I467 HydrophobicContact CG-CG1 3.57Å; F379-I467 HydrophobicContact CZ-CG1 3.99Å; Y463-I467 WeakPolarHBondContact O-CG1 3.46Å; Y463-I467 PolarHBondContact O-N 2.75Å; F464-I467 PolarHBondContact O-N 3.08Å; F464-I467 VanDerWaalsContact O-N 3.08Å; I467-K469 VanDerWaalsContact C-N 3.28Å; I467-K469 PolarHBondContact O-N 3.04Å; I467-E470 PolarHBondContact O-N 2.57Å; I467-V471 PolarHBondContact O-N 2.76Å
468	I	97.1	Very high	95	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-56	-42.3	175.6	-63.7	-58.1	0	0	0	111.2	A367 C370 F464 E470 V471 M472 L485 W503 V509 W516	A367-I468 HydrophobicContact CB-CD1 4.44Å; C370-I468 WeakPolarHBondContact SG-CD1 3.31Å; F464-I468 HydrophobicContact CD2-CG1 4.35Å; F464-I468 HydrophobicContact CE1-CG1 4.33Å; F464-I468 HydrophobicContact CE2-CD1 3.85Å; F464-I468 HydrophobicContact CE2-CG1 4.04Å; F464-I468 HydrophobicContact CZ-CD1 3.86Å; F464-I468 HydrophobicContact CZ-CG1 4.03Å; F464-I468 WeakPolarHBondContact O-CG1 3.37Å; F464-I468 PolarHBondContact O-N 2.66Å; I468-E470 PolarHBondContact O-N 3.26Å; I468-V471 PolarHBondContact O-N 3.29Å; I468-M472 HydrophobicContact CG2-CE 3.75Å; I468-M472 HydrophobicContact CG2-CG 4.28Å; I468-M472 HydrophobicContact CG2-SD 3.94Å; I468-M472 WeakPolarHBondContact O-CB 3.4Å; I468-M472 WeakPolarHBondContact O-CG 3.45Å; I468-M472 PolarHBondContact O-N 3.41Å; I468-L485 HydrophobicContact CG2-CD1 4.5Å; I468-W503 HydrophobicContact CG1-CH2 4.46Å; I468-V509 HydrophobicContact CB-CG1 4.13Å; I468-V509 HydrophobicContact CG2-CG1 3.51Å; I468-W516 HydrophobicContact CG2-CH2 4.03Å
469	K	97.1	Very high	94.7	Very high	66 Å²	66	41.1 Å²	41.1	29%	0.287	21%	0.212	S	C	.	.	H	α-helix	trans	-67.9	-30.1	176.9	-74.8	179.8	-63.2	-175.1	0	113.9	A465 H466 I467 S473 H507	A465-K469 WeakPolarHBondContact O-CB 3.28Å; A465-K469 WeakPolarHBondContact O-CE 3.3Å; A465-K469 VanDerWaalsContact O-CG 3.31Å; A465-K469 WeakPolarHBondContact O-CG 3.48Å; A465-K469 PolarHBondContact O-N 3.11Å; A465-K469 VanDerWaalsContact O-N 3.08Å; H466-K469 PolarHBondContact O-N 3.14Å; I467-K469 VanDerWaalsContact C-N 3.28Å; I467-K469 PolarHBondContact O-N 3.04Å; K469-S473 WeakPolarHBondContact O-CB 3.47Å; K469-S473 PolarHBondContact O-N 3.23Å; K469-H507 PolarHBondContact NZ-O 2.64Å
470	E	96.6	Very high	94.7	Very high	40 Å²	40	42.4 Å²	42.4	19%	0.187	22%	0.216	C	C	.	.	H	α-helix	trans	-66.4	-41.8	168.4	-71.9	-162.1	165.6	0	0	111.2	H375 R378 R382 H466 I467 I468 S473 D474	H375-E470 IonicContact CD2-OE2 2.85Å; H375-E470 PolarHBondContact CD2-OE2 2.89Å; H375-E470 IonicContact CE1-OE2 2.75Å; H375-E470 WeakPolarHBondContact NE2-CB 3.4Å; H375-E470 IonicContact NE2-OE2 3.49Å; H375-E470 PolarHBondContact NE2-OE2 3.48Å; R378-E470 IonicContact CZ-OE2 3.76Å; R378-E470 IonicContact NH2-OE2 3.99Å; R378-E470 PolarHBondContact NH2-OE2 3.29Å; R382-E470 IonicContact CZ-OE1 3.72Å; R382-E470 IonicContact NH1-OE1 2.77Å; R382-E470 PolarHBondContact NH1-OE1 3.27Å; R382-E470 IonicContact NH2-OE1 2.72Å; R382-E470 PolarHBondContact NH2-OE1 3.07Å; R382-E470 IonicContact NH2-OE2 3.39Å; H466-E470 PolarHBondContact O-N 3.16Å; H466-E470 VanDerWaalsContact O-N 3.09Å; I467-E470 PolarHBondContact O-N 2.57Å; I468-E470 PolarHBondContact O-N 3.26Å; E470-S473 PolarHBondContact O-N 2.77Å; E470-D474 PolarHBondContact O-N 3.1Å
471	V	95.9	Very high	94.7	Very high	17 Å²	17	39.3 Å²	39.3	10%	0.103	19%	0.193	C	C	.	.	H	α-helix	trans	-66.1	-41.6	176.9	177.2	0	0	0	0	111.9	M371 I467 I468 S473 D474 L475	M371-V471 HydrophobicContact CB-CG2 3.83Å; I467-V471 PolarHBondContact O-N 2.76Å; I468-V471 PolarHBondContact O-N 3.29Å; V471-S473 VanDerWaalsContact C-N 3.35Å; V471-S473 PolarHBondContact O-N 3.29Å; V471-D474 PolarHBondContact O-N 2.8Å; V471-L475 HydrophobicContact CG1-CD1 4.31Å; V471-L475 WeakPolarHBondContact O-CG 3.45Å; V471-L475 PolarHBondContact O-N 3.03Å
472	M	96	Very high	94.8	Very high	6 Å²	6	39.3 Å²	39.3	3%	0.03	19%	0.193	C	C	.	.	H	α-helix	trans	-58.9	-44.7	173.4	-76.4	174.5	167.6	0	0	111.8	I468 D474 L475 E476 V509 V514 W516	I468-M472 HydrophobicContact CG2-CE 3.75Å; I468-M472 HydrophobicContact CG2-CG 4.28Å; I468-M472 HydrophobicContact CG2-SD 3.94Å; I468-M472 WeakPolarHBondContact O-CB 3.4Å; I468-M472 WeakPolarHBondContact O-CG 3.45Å; I468-M472 PolarHBondContact O-N 3.41Å; M472-D474 VanDerWaalsContact C-N 3.32Å; M472-D474 PolarHBondContact O-N 3.24Å; M472-L475 PolarHBondContact O-N 3.34Å; M472-E476 WeakPolarHBondContact O-CG 3.48Å; M472-E476 PolarHBondContact O-N 2.95Å; M472-V509 HydrophobicContact CE-CG1 4.11Å; M472-V509 HydrophobicContact SD-CG1 4.32Å; M472-V514 HydrophobicContact CE-CB 4.03Å; M472-V514 HydrophobicContact CE-CG1 3.91Å; M472-V514 HydrophobicContact CE-CG2 4.22Å; M472-V514 HydrophobicContact CG-CG2 3.97Å; M472-W516 HydrophobicContact CE-CH2 4.17Å; M472-W516 HydrophobicContact CE-CZ2 3.7Å
473	S	95.8	Very high	94.9	Very high	69 Å²	69	36.8 Å²	36.8	48%	0.483	18%	0.183	S	C	.	.	H	α-helix	trans	-63.2	-36.3	176	-172.6	0	0	0	0	112.6	K469 E470 V471 E476 E477	K469-S473 WeakPolarHBondContact O-CB 3.47Å; K469-S473 PolarHBondContact O-N 3.23Å; E470-S473 PolarHBondContact O-N 2.77Å; V471-S473 VanDerWaalsContact C-N 3.35Å; V471-S473 PolarHBondContact O-N 3.29Å; S473-E476 PolarHBondContact O-N 3.28Å; S473-E477 WeakPolarHBondContact O-CB 3.39Å; S473-E477 PolarHBondContact O-N 3.09Å
474	D	94.1	Very high	94.9	Very high	38 Å²	38	36.7 Å²	36.7	20%	0.203	18%	0.182	C	C	.	.	H	α-helix	trans	-70.4	-35.7	176.5	-76.4	-24.7	0	0	0	111.9	E470 V471 M472 S478 K719	E470-D474 PolarHBondContact O-N 3.1Å; V471-D474 PolarHBondContact O-N 2.8Å; M472-D474 VanDerWaalsContact C-N 3.32Å; M472-D474 PolarHBondContact O-N 3.24Å; D474-S478 WeakPolarHBondContact O-CB 3.48Å; D474-S478 PolarHBondContact O-N 3.3Å; D474-K719 WeakPolarHBondContact OD1-CE 3.44Å; D474-K719 IonicContact OD1-NZ 3.37Å; D474-K719 PolarHBondContact OD1-NZ 3.22Å; D474-K719 WeakPolarHBondContact OD2-CE 3.39Å; D474-K719 IonicContact OD2-NZ 2.78Å
475	L	94.2	Very high	94.9	Very high	26 Å²	26	36.4 Å²	36.4	14%	0.136	18%	0.181	C	C	.	.	H	α-helix	trans	-69.2	-35.7	172.4	-72.5	170	0	0	0	112.6	V471 M472 K479 Q481 A483 N513 V514	V471-L475 HydrophobicContact CG1-CD1 4.31Å; V471-L475 WeakPolarHBondContact O-CG 3.45Å; V471-L475 PolarHBondContact O-N 3.03Å; M472-L475 PolarHBondContact O-N 3.34Å; L475-K479 PolarHBondContact O-N 3.32Å; L475-Q481 HydrophobicContact CD2-CB 3.97Å; L475-A483 HydrophobicContact CD1-CB 3.95Å; L475-N513 HydrophobicContact CB-CB 4.48Å; L475-N513 PolarHBondContact O-ND2 3.31Å; L475-V514 HydrophobicContact CD1-CG2 3.83Å
476	E	92.8	Very high	95	Very high	89 Å²	89	36.6 Å²	36.6	42%	0.416	18%	0.182	S	C	.	.	H	α-helix	trans	-69.2	-40.9	174	-75	172.2	-160.2	0	0	111.8	M472 S473 K479 S511 N513	M472-E476 WeakPolarHBondContact O-CG 3.48Å; M472-E476 PolarHBondContact O-N 2.95Å; S473-E476 PolarHBondContact O-N 3.28Å; E476-K479 WeakPolarHBondContact O-CA 3.35Å; E476-K479 PolarHBondContact O-N 3.06Å; E476-S511 WeakPolarHBondContact OE1-CB 3.34Å; E476-S511 PolarHBondContact OE1-OG 3.27Å; E476-N513 HydrophobicContact CG-CB 4.49Å
477	E	91.7	Very high	95	Very high	143 Å²	143	33 Å²	33	67%	0.668	17%	0.166	S	C	*	.	H	α-helix	trans	-61.5	-49	173.5	-179	-179.1	-129.5	0	0	112	S473 K479 K719	S473-E477 WeakPolarHBondContact O-CB 3.39Å; S473-E477 PolarHBondContact O-N 3.09Å; E477-K479 PolarHBondContact O-N 3.34Å; E477-K479 VanDerWaalsContact O-N 3.14Å; E477-K719 IonicContact OE2-NZ 3.19Å; E477-K719 PolarHBondContact OE2-NZ 2.96Å
478	S	87.6	Confident	94.9	Very high	36 Å²	36	34.3 Å²	34.3	25%	0.252	18%	0.175	S	C	.	.	H	α-helix	trans	-68.5	-10.7	178.7	-167	0	0	0	0	113.1	D474 Y480 Q481 E720	D474-S478 WeakPolarHBondContact O-CB 3.48Å; D474-S478 PolarHBondContact O-N 3.3Å; S478-Y480 PolarHBondContact O-N 3.14Å; S478-Q481 PolarHBondContact OG-NE2 3.3Å; S478-E720 WeakPolarHBondContact CB-OE1 2.85Å; S478-E720 PolarHBondContact OG-OE1 3.27Å
479	K	86.3	Confident	94.9	Very high	89 Å²	89	34.4 Å²	34.4	39%	0.387	18%	0.175	S	C	.	.	S	Bend	trans	65.5	-39.2	165.1	178.6	176.4	173.1	178.8	0	117.2	H244 R359 L475 E476 E477	H244-K479 WeakPolarHBondContact CE1-CE 3.47Å; H244-K479 WeakPolarHBondContact NE2-CE 3.25Å; H244-K479 PolarHBondContact NE2-NZ 3.22Å; H244-K479 VanDerWaalsContact NE2-NZ 3.15Å; R359-K479 PolarHBondContact NH1-O 2.94Å; R359-K479 PolarHBondContact NH2-O 2.79Å; L475-K479 PolarHBondContact O-N 3.32Å; E476-K479 WeakPolarHBondContact O-CA 3.35Å; E476-K479 PolarHBondContact O-N 3.06Å; E477-K479 PolarHBondContact O-N 3.34Å; E477-K479 VanDerWaalsContact O-N 3.14Å
480	Y	92.9	Very high	94.9	Very high	47 Å²	47	33.8 Å²	33.8	18%	0.184	17%	0.171	C	C	.	.	S	Bend	trans	-108.6	-10.8	-173	-61.3	-76.9	0	0	0	114.4	H244 Y356 N357 K360 S478	H244-Y480 AromaticContact CE1-CE1 3.92Å; Y356-Y480 WeakPolarHBondContact O-CD2 3.45Å; N357-Y480 HydrophobicContact CB-CD2 4.47Å; N357-Y480 HydrophobicContact CB-CE1 4.35Å; N357-Y480 HydrophobicContact CB-CE2 3.92Å; N357-Y480 VanDerWaalsContact O-CD1 3.26Å; N357-Y480 WeakPolarHBondContact O-CD1 3.42Å; N357-Y480 WeakPolarHBondContact O-CE1 3.38Å; K360-Y480 PolarHBondContact N-O 3.21Å; S478-Y480 PolarHBondContact O-N 3.14Å
481	Q	94.8	Very high	94.8	Very high	13 Å²	13	31.9 Å²	31.9	6%	0.061	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	141.9	172.5	-73.1	172.6	82.2	0	0	110.4	K360 L475 S478 N513 E720	K360-Q481 HydrophobicContact CD-CG 4.27Å; K360-Q481 HydrophobicContact CG-CG 4.1Å; L475-Q481 HydrophobicContact CD2-CB 3.97Å; S478-Q481 PolarHBondContact OG-NE2 3.3Å; Q481-N513 PolarHBondContact O-ND2 3.06Å; Q481-E720 PolarHBondContact NE2-OE1 3Å
482	N	96.9	Very high	94.8	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	159.2	-176.2	-74.2	104.9	0	0	0	108.5	R359 K360 V361 D362 N513 F753 W761	R359-N482 PolarHBondContact NH1-OD1 3.09Å; K360-N482 PolarHBondContact O-N 3.1Å; K360-N482 VanDerWaalsContact O-N 3.07Å; V361-N482 CarbonylContact C-O 3.51Å; V361-N482 WeakPolarHBondContact CA-O 3.31Å; V361-N482 HydrophobicContact CB-CB 4.4Å; V361-N482 HydrophobicContact CG1-CB 4.41Å; V361-N482 HydrophobicContact CG2-CB 3.97Å; D362-N482 PolarHBondContact N-O 2.85Å; N482-N513 WeakPolarHBondContact CA-O 3.3Å; N482-N513 WeakPolarHBondContact ND2-CA 3.2Å; N482-N513 WeakPolarHBondContact ND2-CB 3.42Å; N482-N513 VanDerWaalsContact ND2-CG 3.28Å; N482-N513 PolarHBondContact ND2-O 2.59Å; N482-N513 VanDerWaalsContact ND2-O 3.14Å; N482-N513 PolarHBondContact ND2-OD1 3Å; N482-F753 HydrophobicContact CB-CE2 4.19Å; N482-F753 HydrophobicContact CB-CZ 4.12Å; N482-W761 HydrophobicContact CB-CH2 4.13Å; N482-W761 VanDerWaalsContact CG-CH2 3.41Å; N482-W761 WeakPolarHBondContact ND2-CH2 3.25Å; N482-W761 WeakPolarHBondContact OD1-CH2 3.44Å
483	A	97.4	Very high	94.8	Very high	3 Å²	3	37.6 Å²	37.6	3%	0.025	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	147.2	-174.9	0	0	0	0	0	114.6	D362 I365 L475 L485 N513 V514 R515	D362-A483 HydrophobicContact CB-CB 4.33Å; I365-A483 HydrophobicContact CG2-CB 4.28Å; L475-A483 HydrophobicContact CD1-CB 3.95Å; A483-L485 HydrophobicContact CB-CD2 4.47Å; A483-N513 PolarHBondContact N-O 3.23Å; A483-N513 VanDerWaalsContact N-O 3.09Å; A483-V514 WeakPolarHBondContact O-CA 3.24Å; A483-R515 PolarHBondContact O-N 3.18Å
484	E	97.5	Very high	94.7	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	76.7	174.6	-60.5	-166.8	120.8	0	0	110.6	V361 D362 T363 R486 R515 L517 R631 S751 G752	V361-E484 HydrophobicContact CG1-CG 3.78Å; D362-E484 PolarHBondContact O-N 2.92Å; T363-E484 WeakPolarHBondContact CA-OE2 3.38Å; E484-R486 PolarHBondContact O-NH1 3.14Å; E484-R486 VanDerWaalsContact O-NH1 3.1Å; E484-R515 CarbonylContact C-O 3.57Å; E484-R515 WeakPolarHBondContact CA-O 3.46Å; E484-R515 HydrophobicContact CG-CB 4.43Å; E484-L517 HydrophobicContact CB-CD1 4.22Å; E484-R631 IonicContact OE1-CZ 2.91Å; E484-R631 IonicContact OE1-NH1 3.41Å; E484-R631 PolarHBondContact OE1-NH1 3.4Å; E484-R631 IonicContact OE2-NH1 2.79Å; E484-R631 PolarHBondContact OE2-NH1 3.36Å; E484-S751 VanDerWaalsContact OE1-CA 3.22Å; E484-S751 WeakPolarHBondContact OE1-CA 3.45Å; E484-S751 WeakPolarHBondContact OE1-CB 3.34Å; E484-G752 PolarHBondContact OE1-N 3.29Å
485	L	97.6	Very high	94.8	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	134.4	-174.7	-66.2	-177.1	0	0	0	111.6	I365 A367 C370 I468 A483 V514 R515 W516 L517	I365-L485 HydrophobicContact CB-CD2 4.43Å; I365-L485 HydrophobicContact CD1-CD2 3.84Å; I365-L485 HydrophobicContact CG1-CD2 3.83Å; I365-L485 HydrophobicContact CG2-CD2 3.88Å; I365-L485 WeakPolarHBondContact O-CA 3.43Å; A367-L485 HydrophobicContact CB-CB 4.23Å; C370-L485 HydrophobicContact CB-CD2 3.61Å; I468-L485 HydrophobicContact CG2-CD1 4.5Å; A483-L485 HydrophobicContact CB-CD2 4.47Å; L485-V514 HydrophobicContact CB-CG1 4.35Å; L485-V514 HydrophobicContact CD1-CG1 3.81Å; L485-V514 HydrophobicContact CG-CG1 3.94Å; L485-R515 PolarHBondContact N-O 3.39Å; L485-W516 HydrophobicContact CB-CE3 3.64Å; L485-W516 HydrophobicContact CB-CH2 4.42Å; L485-W516 HydrophobicContact CB-CZ3 3.45Å; L485-W516 VanDerWaalsContact CB-CZ3 3.45Å; L485-W516 HydrophobicContact CD1-CH2 3.92Å; L485-W516 HydrophobicContact CD1-CZ3 3.73Å; L485-W516 HydrophobicContact CG-CZ3 4.24Å; L485-W516 WeakPolarHBondContact O-CA 3.35Å; L485-L517 PolarHBondContact O-N 2.89Å
486	R	97.9	Very high	95	Very high	3 Å²	3	39.7 Å²	39.7	1%	0.011	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	126.1	178	-68.9	154.7	167.8	76.1	-14.4	113.3	T363 H364 I365 A367 E484 L517 Q519 D571 S654	T363-R486 PolarHBondContact O-NH1 3.21Å; T363-R486 PolarHBondContact O-NH2 3.35Å; H364-R486 PolarHBondContact CD2-NE 3.39Å; H364-R486 PolarHBondContact CD2-NH2 2.69Å; I365-R486 PolarHBondContact O-N 3.26Å; A367-R486 WeakPolarHBondContact CB-O 3.32Å; A367-R486 PolarHBondContact N-O 2.85Å; E484-R486 PolarHBondContact O-NH1 3.14Å; E484-R486 VanDerWaalsContact O-NH1 3.1Å; R486-L517 WeakPolarHBondContact CA-O 3.49Å; R486-L517 HydrophobicContact CG-CB 3.78Å; R486-Q519 HydrophobicContact CB-CB 4.37Å; R486-Q519 HydrophobicContact CB-CG 4.35Å; R486-D571 IonicContact CZ-OD2 3.81Å; R486-D571 IonicContact NE-OD2 3.72Å; R486-D571 PolarHBondContact NE-OD2 3.03Å; R486-D571 IonicContact NH2-OD2 2.79Å; R486-D571 PolarHBondContact NH2-OD2 2.64Å; R486-S654 PolarHBondContact NH2-OG 3.5Å
487	L	97.3	Very high	95.2	Very high	6 Å²	6	35.5 Å²	35.5	3%	0.031	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	137.7	175.3	-71.2	166.8	0	0	0	110.4	A367 T455 F464 L500 W503 W516 L517 V518 Q519 F563	A367-L487 HydrophobicContact CB-CD2 3.77Å; A367-L487 HydrophobicContact CB-CG 4.27Å; T455-L487 HydrophobicContact CG2-CD2 4.22Å; F464-L487 HydrophobicContact CE1-CD2 4.31Å; L487-L500 HydrophobicContact CB-CD2 4.24Å; L487-L500 HydrophobicContact CD1-CD1 4.23Å; L487-L500 HydrophobicContact CD2-CD1 4.47Å; L487-W503 HydrophobicContact CD1-CZ3 4.08Å; L487-W503 HydrophobicContact CD2-CH2 4.26Å; L487-W503 HydrophobicContact CD2-CZ3 4.17Å; L487-W516 HydrophobicContact CD1-CD2 3.65Å; L487-W516 HydrophobicContact CD1-CE3 3.29Å; L487-W516 HydrophobicContact CD1-CG 4.31Å; L487-W516 HydrophobicContact CD1-CH2 4.06Å; L487-W516 HydrophobicContact CD1-CZ2 4.37Å; L487-W516 HydrophobicContact CD1-CZ3 3.52Å; L487-W516 HydrophobicContact CD2-CE3 4.48Å; L487-W516 HydrophobicContact CD2-CZ3 4.02Å; L487-W516 HydrophobicContact CG-CD2 4.42Å; L487-W516 HydrophobicContact CG-CE3 3.59Å; L487-W516 HydrophobicContact CG-CH2 4.47Å; L487-W516 HydrophobicContact CG-CZ3 3.62Å; L487-L517 PolarHBondContact N-O 3.47Å; L487-V518 CarbonylContact O-C 3.56Å; L487-V518 WeakPolarHBondContact O-CA 3.44Å; L487-Q519 PolarHBondContact O-N 3.44Å; L487-F563 HydrophobicContact CD1-CE2 4.32Å; L487-F563 HydrophobicContact CD1-CZ 3.89Å
488	S	96.1	Very high	95.4	Very high	27 Å²	27	30.5 Å²	30.5	19%	0.189	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	132.9	-179.8	-74.5	0	0	0	0	113.5	Y490 Q519	S488-Y490 VanDerWaalsContact CB-CZ 3.5Å; S488-Q519 WeakPolarHBondContact CA-O 3.35Å; S488-Q519 WeakPolarHBondContact OG-CG 3.31Å; S488-Q519 PolarHBondContact OG-NE2 3.49Å
489	I	97.4	Very high	95.9	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.01	15%	0.148	C	C	.	.			trans	-112.4	133.6	152.5	-68.6	-68.7	0	0	0	106.7	E496 W497 L500 V518 Q519 P521 I543	I489-E496 HydrophobicContact CD1-CB 3.95Å; I489-W497 HydrophobicContact CD1-CD2 4.01Å; I489-W497 HydrophobicContact CD1-CE3 4.3Å; I489-W497 HydrophobicContact CD1-CG 4.23Å; I489-W497 HydrophobicContact CG1-CD2 4.06Å; I489-W497 HydrophobicContact CG1-CE3 4.29Å; I489-W497 HydrophobicContact CG1-CH2 4.32Å; I489-W497 HydrophobicContact CG1-CZ2 4.03Å; I489-W497 HydrophobicContact CG1-CZ3 4.43Å; I489-L500 HydrophobicContact CD1-CB 4.25Å; I489-L500 HydrophobicContact CD1-CD2 3.74Å; I489-L500 HydrophobicContact CG1-CD2 4.05Å; I489-V518 HydrophobicContact CB-CG1 3.83Å; I489-V518 HydrophobicContact CG1-CG1 3.58Å; I489-Q519 PolarHBondContact N-O 3.22Å; I489-Q519 VanDerWaalsContact N-O 3.14Å; I489-P521 WeakPolarHBondContact O-CD 3.49Å; I489-I543 HydrophobicContact CG2-CG1 4.32Å
490	Y	95.4	Very high	96.4	Very high	53 Å²	53	28.1 Å²	28.1	21%	0.208	13%	0.13	C	C	.	.			trans	-102.6	-15.7	-174.5	-59.2	-75.8	0	0	0	112.9	K454 S488 R492 E496 P521 Y527 M539	K454-Y490 PolarHBondContact NZ-OH 2.93Å; S488-Y490 VanDerWaalsContact CB-CZ 3.5Å; Y490-R492 VanDerWaalsContact C-N 3.32Å; Y490-R492 PolarHBondContact O-N 3.29Å; Y490-E496 WeakPolarHBondContact CA-OE2 3.26Å; Y490-E496 PolarHBondContact N-OE2 3.22Å; Y490-P521 HydrophobicContact CD1-CG 3.8Å; Y490-P521 HydrophobicContact CE1-CG 3.8Å; Y490-Y527 WeakPolarHBondContact CD1-OH 3.43Å; Y490-Y527 WeakPolarHBondContact O-CE2 3.22Å; Y490-M539 WeakPolarHBondContact O-CE 3.48Å
491	G	95.8	Very high	96.6	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.122	C	C	.	.	S	Bend	trans	72.4	22.6	177.5	0	0	0	0	0	113.9	E496 M539 N542	G491-E496 PolarHBondContact N-OE2 3.04Å; G491-M539 WeakPolarHBondContact O-CA 3.37Å; G491-N542 VanDerWaalsContact O-CB 3.23Å; G491-N542 WeakPolarHBondContact O-CB 3.47Å; G491-N542 PolarHBondContact O-ND2 3.08Å
492	R	94.9	Very high	96.7	Very high	98 Å²	98	31.5 Å²	31.5	37%	0.37	14%	0.142	S	C	.	.	S	Bend	trans	-88.8	-14	-179.9	-54.6	168.5	-58.6	142.4	9.2	113.5	Y490 E496 Y527 N542	Y490-R492 VanDerWaalsContact C-N 3.32Å; Y490-R492 PolarHBondContact O-N 3.29Å; R492-E496 IonicContact CZ-OE1 2.76Å; R492-E496 IonicContact NE-OE1 3.29Å; R492-E496 PolarHBondContact NE-OE1 3.09Å; R492-E496 IonicContact NH2-OE1 2.85Å; R492-E496 PolarHBondContact NH2-OE1 3.14Å; R492-Y527 HydrophobicContact CG-CD1 4.03Å; R492-Y527 HydrophobicContact CG-CD2 3.75Å; R492-Y527 HydrophobicContact CG-CE1 4.12Å; R492-Y527 HydrophobicContact CG-CE2 3.81Å; R492-Y527 HydrophobicContact CG-CG 3.89Å; R492-N542 VanDerWaalsContact C-ND2 3.33Å
493	S	95.9	Very high	96.7	Very high	44 Å²	44	31.8 Å²	31.8	31%	0.308	14%	0.143	S	C	.	.			trans	-160.2	143.4	-179.9	169.9	0	0	0	0	109.1	D495 E496 N542	S493-D495 WeakPolarHBondContact CB-OD1 3.32Å; S493-D495 PolarHBondContact O-N 3.38Å; S493-D495 PolarHBondContact OG-N 3.49Å; S493-D495 PolarHBondContact OG-OD1 3.38Å; S493-E496 PolarHBondContact O-N 3.37Å; S493-N542 PolarHBondContact N-ND2 2.81Å
494	R	95.3	Very high	96.6	Very high	96 Å²	96	31.7 Å²	31.7	36%	0.362	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-27.7	173.7	-62.1	-165.7	177.9	-159.2	5.7	112.6	E496 E541 N542 P546 E549	R494-E496 VanDerWaalsContact C-N 3.28Å; R494-E496 PolarHBondContact O-N 2.92Å; R494-E541 IonicContact CZ-OE2 3.61Å; R494-E541 IonicContact NH2-OE2 2.66Å; R494-E541 PolarHBondContact NH2-OE2 2.97Å; R494-N542 WeakPolarHBondContact CG-OD1 3.47Å; R494-N542 PolarHBondContact N-OD1 3.33Å; R494-P546 HydrophobicContact CB-CG 4.1Å; R494-P546 WeakPolarHBondContact O-CG 3.42Å; R494-E549 IonicContact NH1-OE1 2.75Å; R494-E549 PolarHBondContact NH1-OE1 3.4Å
495	D	96	Very high	96.5	Very high	67 Å²	67	32.3 Å²	32.3	36%	0.358	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-6.7	-175.7	86.5	-26.4	0	0	0	114.8	S493 W497 D498 K499	S493-D495 WeakPolarHBondContact CB-OD1 3.32Å; S493-D495 PolarHBondContact O-N 3.38Å; S493-D495 PolarHBondContact OG-N 3.49Å; S493-D495 PolarHBondContact OG-OD1 3.38Å; D495-W497 VanDerWaalsContact C-N 3.27Å; D495-W497 PolarHBondContact O-N 3.45Å; D495-D498 PolarHBondContact O-N 3.14Å; D495-K499 WeakPolarHBondContact O-CB 3.43Å; D495-K499 WeakPolarHBondContact O-CD 3.46Å; D495-K499 VanDerWaalsContact O-CG 3.3Å; D495-K499 WeakPolarHBondContact O-CG 3.3Å; D495-K499 PolarHBondContact O-N 2.7Å; D495-K499 IonicContact OD1-NZ 3.63Å; D495-K499 PolarHBondContact OD1-NZ 2.98Å; D495-K499 WeakPolarHBondContact OD2-CE 3.1Å; D495-K499 IonicContact OD2-NZ 3.67Å; D495-K499 PolarHBondContact OD2-NZ 3.18Å
496	E	96.8	Very high	96.3	Very high	15 Å²	15	37 Å²	37	7%	0.07	17%	0.174	C	C	.	.	H	α-helix	trans	-60.4	-35.4	178.2	-70.1	-168.9	165.5	0	0	112.4	I489 Y490 G491 R492 S493 R494 L500	I489-E496 HydrophobicContact CD1-CB 3.95Å; Y490-E496 WeakPolarHBondContact CA-OE2 3.26Å; Y490-E496 PolarHBondContact N-OE2 3.22Å; G491-E496 PolarHBondContact N-OE2 3.04Å; R492-E496 IonicContact CZ-OE1 2.76Å; R492-E496 IonicContact NE-OE1 3.29Å; R492-E496 PolarHBondContact NE-OE1 3.09Å; R492-E496 IonicContact NH2-OE1 2.85Å; R492-E496 PolarHBondContact NH2-OE1 3.14Å; S493-E496 PolarHBondContact O-N 3.37Å; R494-E496 VanDerWaalsContact C-N 3.28Å; R494-E496 PolarHBondContact O-N 2.92Å; E496-L500 WeakPolarHBondContact O-CB 3.28Å; E496-L500 PolarHBondContact O-N 3.19Å
497	W	97.6	Very high	96.2	Very high	1 Å²	1	38.4 Å²	38.4	0%	0.004	18%	0.181	C	C	.	.	H	α-helix	trans	-69	-48.9	177.8	-82.4	109.8	0	0	0	113.2	I489 D495 K499 L500 A501 V518 I543 P546 L547 L560 F563 L564 F570	I489-W497 HydrophobicContact CD1-CD2 4.01Å; I489-W497 HydrophobicContact CD1-CE3 4.3Å; I489-W497 HydrophobicContact CD1-CG 4.23Å; I489-W497 HydrophobicContact CG1-CD2 4.06Å; I489-W497 HydrophobicContact CG1-CE3 4.29Å; I489-W497 HydrophobicContact CG1-CH2 4.32Å; I489-W497 HydrophobicContact CG1-CZ2 4.03Å; I489-W497 HydrophobicContact CG1-CZ3 4.43Å; D495-W497 VanDerWaalsContact C-N 3.27Å; D495-W497 PolarHBondContact O-N 3.45Å; W497-K499 VanDerWaalsContact C-N 3.3Å; W497-K499 PolarHBondContact O-N 2.81Å; W497-L500 PolarHBondContact O-N 2.98Å; W497-A501 WeakPolarHBondContact O-CB 3.46Å; W497-A501 PolarHBondContact O-N 2.99Å; W497-V518 HydrophobicContact CH2-CB 3.97Å; W497-V518 HydrophobicContact CH2-CG1 3.71Å; W497-V518 HydrophobicContact CH2-CG2 3.68Å; W497-V518 HydrophobicContact CZ2-CG1 4.01Å; W497-V518 HydrophobicContact CZ3-CG1 4.47Å; W497-V518 HydrophobicContact CZ3-CG2 3.92Å; W497-I543 PolarHBondContact NE1-O 3.42Å; W497-P546 HydrophobicContact CB-CB 4.14Å; W497-P546 HydrophobicContact CG-CB 4.29Å; W497-L547 HydrophobicContact CD2-CD2 3.8Å; W497-L547 HydrophobicContact CD2-CG 4.46Å; W497-L547 HydrophobicContact CE3-CD2 3.93Å; W497-L547 HydrophobicContact CG-CD2 4.43Å; W497-L547 HydrophobicContact CH2-CD1 4.19Å; W497-L547 HydrophobicContact CH2-CD2 3.84Å; W497-L547 HydrophobicContact CZ2-CD1 3.67Å; W497-L547 HydrophobicContact CZ2-CD2 3.76Å; W497-L547 HydrophobicContact CZ2-CG 4.02Å; W497-L547 HydrophobicContact CZ3-CD2 3.94Å; W497-L560 HydrophobicContact CB-CD1 4.15Å; W497-L560 HydrophobicContact CB-CD2 3.95Å; W497-L560 HydrophobicContact CD2-CD1 4.34Å; W497-L560 HydrophobicContact CE3-CD1 3.67Å; W497-L560 HydrophobicContact CZ3-CD1 4.41Å; W497-F563 HydrophobicContact CZ3-CE1 4.3Å; W497-L564 HydrophobicContact CH2-CD2 4.43Å; W497-L564 HydrophobicContact CZ3-CD2 3.94Å; W497-F570 HydrophobicContact CH2-CE1 4.42Å; W497-F570 HydrophobicContact CZ2-CE1 4.16Å
498	D	96.8	Very high	96.1	Very high	37 Å²	37	42.1 Å²	42.1	20%	0.198	20%	0.197	C	C	.	.	H	α-helix	trans	-65.1	-36	179.2	-71.3	-44.2	0	0	0	111.3	D495 R502 H557	D495-D498 PolarHBondContact O-N 3.14Å; D498-R502 WeakPolarHBondContact O-CB 3.45Å; D498-R502 PolarHBondContact O-N 2.94Å; D498-H557 IonicContact OD1-CG 3.19Å; D498-H557 IonicContact OD1-ND1 3.61Å; D498-H557 PolarHBondContact OD1-ND1 3.41Å; D498-H557 IonicContact OD2-CE1 3.4Å; D498-H557 IonicContact OD2-ND1 2.62Å; D498-H557 PolarHBondContact OD2-ND1 3.26Å; D498-H557 VanDerWaalsContact OD2-ND1 3.12Å
499	K	96.8	Very high	96	Very high	72 Å²	72	40.9 Å²	40.9	31%	0.313	19%	0.188	S	C	.	.	H	α-helix	trans	-60.4	-49.9	170.6	-77.2	163.8	165.9	164.6	0	112.2	D456 D495 W497 R502 W503	D456-K499 WeakPolarHBondContact OD2-CD 3.47Å; D456-K499 WeakPolarHBondContact OD2-CE 3.39Å; D456-K499 IonicContact OD2-NZ 2.88Å; D456-K499 PolarHBondContact OD2-NZ 2.95Å; D495-K499 WeakPolarHBondContact O-CB 3.43Å; D495-K499 WeakPolarHBondContact O-CD 3.46Å; D495-K499 VanDerWaalsContact O-CG 3.3Å; D495-K499 WeakPolarHBondContact O-CG 3.3Å; D495-K499 PolarHBondContact O-N 2.7Å; D495-K499 IonicContact OD1-NZ 3.63Å; D495-K499 PolarHBondContact OD1-NZ 2.98Å; D495-K499 WeakPolarHBondContact OD2-CE 3.1Å; D495-K499 IonicContact OD2-NZ 3.67Å; D495-K499 PolarHBondContact OD2-NZ 3.18Å; W497-K499 VanDerWaalsContact C-N 3.3Å; W497-K499 PolarHBondContact O-N 2.81Å; K499-R502 PolarHBondContact O-N 2.93Å; K499-W503 WeakPolarHBondContact O-CB 3.36Å; K499-W503 PolarHBondContact O-N 2.64Å
500	L	97.4	Very high	95.9	Very high	4 Å²	4	42 Å²	42	2%	0.021	19%	0.193	C	C	.	.	H	α-helix	trans	-64.9	-43.7	-178.2	-175.9	63.1	0	0	0	111.8	T455 L487 I489 E496 W497 W503 A504 F563	T455-L500 HydrophobicContact CG2-CD1 3.72Å; L487-L500 HydrophobicContact CB-CD2 4.24Å; L487-L500 HydrophobicContact CD1-CD1 4.23Å; L487-L500 HydrophobicContact CD2-CD1 4.47Å; I489-L500 HydrophobicContact CD1-CB 4.25Å; I489-L500 HydrophobicContact CD1-CD2 3.74Å; I489-L500 HydrophobicContact CG1-CD2 4.05Å; E496-L500 WeakPolarHBondContact O-CB 3.28Å; E496-L500 PolarHBondContact O-N 3.19Å; W497-L500 PolarHBondContact O-N 2.98Å; L500-W503 HydrophobicContact CD1-CE3 4.09Å; L500-W503 WeakPolarHBondContact O-CB 3.28Å; L500-W503 PolarHBondContact O-N 3.34Å; L500-A504 PolarHBondContact O-N 2.74Å; L500-F563 HydrophobicContact CD2-CE1 3.98Å; L500-F563 HydrophobicContact CD2-CZ 4.19Å; L500-F563 HydrophobicContact CG-CE1 4.14Å; L500-F563 HydrophobicContact CG-CZ 4.22Å
501	A	96.9	Very high	95.8	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-65.4	-44.1	177	0	0	0	0	0	112.1	W497 W503 A504 V505 E559 L560 F563	W497-A501 WeakPolarHBondContact O-CB 3.46Å; W497-A501 PolarHBondContact O-N 2.99Å; A501-W503 VanDerWaalsContact C-N 3.33Å; A501-W503 PolarHBondContact O-N 3.29Å; A501-A504 PolarHBondContact O-N 3.31Å; A501-V505 WeakPolarHBondContact O-CB 3.39Å; A501-V505 WeakPolarHBondContact O-CG2 3.47Å; A501-V505 PolarHBondContact O-N 3.03Å; A501-E559 HydrophobicContact CB-CB 4.12Å; A501-L560 VanDerWaalsContact CB-CA 3.47Å; A501-L560 HydrophobicContact CB-CB 3.97Å; A501-L560 HydrophobicContact CB-CD1 3.99Å; A501-F563 HydrophobicContact CB-CB 3.88Å; A501-F563 HydrophobicContact CB-CD1 4.2Å; A501-F563 HydrophobicContact CB-CG 4.23Å
502	R	96.3	Very high	95.6	Very high	130 Å²	130	43.1 Å²	43.1	49%	0.491	21%	0.207	S	C	.	.	H	α-helix	trans	-61.1	-40.4	174.3	-175.1	176.3	-64.7	147	10	112	D498 K499 V505 V506 E559	D498-R502 WeakPolarHBondContact O-CB 3.45Å; D498-R502 PolarHBondContact O-N 2.94Å; K499-R502 PolarHBondContact O-N 2.93Å; R502-V505 PolarHBondContact O-N 3.41Å; R502-V506 HydrophobicContact CG-CG2 3.67Å; R502-V506 WeakPolarHBondContact O-CB 3.42Å; R502-V506 VanDerWaalsContact O-CG2 3.25Å; R502-V506 WeakPolarHBondContact O-CG2 3.45Å; R502-V506 PolarHBondContact O-N 3.42Å; R502-E559 IonicContact CZ-OE1 3.52Å; R502-E559 IonicContact NE-OE1 3.44Å; R502-E559 PolarHBondContact NE-OE1 3.45Å; R502-E559 IonicContact NH2-OE1 3.31Å; R502-E559 PolarHBondContact NH2-OE1 3.08Å
503	W	97	Very high	95.6	Very high	8 Å²	8	39.3 Å²	39.3	3%	0.03	19%	0.194	C	C	.	.	H	α-helix	trans	-57.5	-47.7	172.9	167.9	89.5	0	0	0	111.6	T455 G461 F464 A465 I468 L487 K499 L500 A501 H507 V509 W516	T455-W503 HydrophobicContact CG2-CD2 3.7Å; T455-W503 HydrophobicContact CG2-CE3 3.87Å; T455-W503 HydrophobicContact CG2-CG 4.25Å; T455-W503 HydrophobicContact CG2-CH2 4.09Å; T455-W503 HydrophobicContact CG2-CZ2 3.92Å; T455-W503 HydrophobicContact CG2-CZ3 4.07Å; G461-W503 PolarHBondContact O-NE1 2.95Å; G461-W503 VanDerWaalsContact O-NE1 3.09Å; F464-W503 HydrophobicContact CD1-CH2 4.22Å; F464-W503 AromaticContact CD1-CZ2 3.52Å; F464-W503 HydrophobicContact CD1-CZ2 3.52Å; F464-W503 HydrophobicContact CE1-CH2 4.11Å; F464-W503 AromaticContact CE1-CZ2 3.88Å; F464-W503 HydrophobicContact CE1-CZ2 3.88Å; F464-W503 HydrophobicContact CG-CZ2 4.4Å; A465-W503 HydrophobicContact CB-CZ2 4.01Å; I468-W503 HydrophobicContact CG1-CH2 4.46Å; L487-W503 HydrophobicContact CD1-CZ3 4.08Å; L487-W503 HydrophobicContact CD2-CH2 4.26Å; L487-W503 HydrophobicContact CD2-CZ3 4.17Å; K499-W503 WeakPolarHBondContact O-CB 3.36Å; K499-W503 PolarHBondContact O-N 2.64Å; L500-W503 HydrophobicContact CD1-CE3 4.09Å; L500-W503 WeakPolarHBondContact O-CB 3.28Å; L500-W503 PolarHBondContact O-N 3.34Å; A501-W503 VanDerWaalsContact C-N 3.33Å; A501-W503 PolarHBondContact O-N 3.29Å; W503-H507 AromaticContact CD1-CD2 3.67Å; W503-H507 WeakPolarHBondContact O-CB 3.2Å; W503-H507 PolarHBondContact O-CD2 3.5Å; W503-H507 VanDerWaalsContact O-CD2 3.29Å; W503-H507 PolarHBondContact O-N 3.16Å; W503-V509 HydrophobicContact CH2-CB 4.43Å; W503-V509 HydrophobicContact CH2-CG1 3.95Å; W503-V509 HydrophobicContact CH2-CG2 4.37Å; W503-V509 HydrophobicContact CZ2-CG1 4.46Å; W503-V509 HydrophobicContact CZ2-CG2 4.33Å; W503-V509 HydrophobicContact CZ3-CB 4.5Å; W503-V509 HydrophobicContact CZ3-CG1 4.39Å; W503-W516 HydrophobicContact CH2-CH2 4.45Å
504	A	96	Very high	95.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-65	-45	179.3	0	0	0	0	0	112.5	Y253 L500 A501 K508 V509 F563	Y253-A504 VanDerWaalsContact CD2-O 3.32Å; Y253-A504 WeakPolarHBondContact CD2-O 3.11Å; Y253-A504 HydrophobicContact CE2-CB 4.23Å; Y253-A504 WeakPolarHBondContact CE2-O 3.48Å; L500-A504 PolarHBondContact O-N 2.74Å; A501-A504 PolarHBondContact O-N 3.31Å; A504-K508 PolarHBondContact O-N 3.04Å; A504-V509 PolarHBondContact O-N 2.91Å; A504-F563 HydrophobicContact CB-CD2 3.64Å; A504-F563 HydrophobicContact CB-CE2 3.87Å
505	V	94.5	Very high	95.6	Very high	14 Å²	14	35 Å²	35	9%	0.085	17%	0.172	C	C	.	.	H	α-helix	trans	-69.6	-54.8	-178.3	167.6	0	0	0	0	111.9	Y253 A501 R502 H507 K508 E559	Y253-V505 HydrophobicContact CD1-CG2 4.1Å; Y253-V505 HydrophobicContact CD2-CG2 4.27Å; Y253-V505 HydrophobicContact CG-CB 4.48Å; Y253-V505 HydrophobicContact CG-CG2 3.99Å; A501-V505 WeakPolarHBondContact O-CB 3.39Å; A501-V505 WeakPolarHBondContact O-CG2 3.47Å; A501-V505 PolarHBondContact O-N 3.03Å; R502-V505 PolarHBondContact O-N 3.41Å; V505-H507 PolarHBondContact O-N 2.9Å; V505-K508 PolarHBondContact O-N 3.06Å; V505-K508 VanDerWaalsContact O-N 3.07Å; V505-E559 HydrophobicContact CB-CB 4.26Å; V505-E559 HydrophobicContact CB-CG 4.2Å; V505-E559 HydrophobicContact CG1-CG 4.09Å; V505-E559 HydrophobicContact CG2-CB 3.97Å; V505-E559 HydrophobicContact CG2-CG 4.39Å
506	V	94.3	Very high	95.6	Very high	99 Å²	99	32 Å²	32	60%	0.6	16%	0.155	S	C	*	.	H	α-helix	trans	-63.9	-40.7	-174.3	173.3	0	0	0	0	112	R502 K508	R502-V506 HydrophobicContact CG-CG2 3.67Å; R502-V506 WeakPolarHBondContact O-CB 3.42Å; R502-V506 VanDerWaalsContact O-CG2 3.25Å; R502-V506 WeakPolarHBondContact O-CG2 3.45Å; R502-V506 PolarHBondContact O-N 3.42Å; V506-K508 VanDerWaalsContact C-N 3.28Å; V506-K508 PolarHBondContact O-N 3.17Å
507	H	95.6	Very high	95.7	Very high	33 Å²	33	31.3 Å²	31.3	15%	0.153	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	1.9	177.5	-61.9	-63.8	0	0	0	113.7	S460 A465 K469 W503 V505 V509	S460-H507 PolarHBondContact O-NE2 3.05Å; A465-H507 HydrophobicContact CB-CB 3.55Å; K469-H507 PolarHBondContact NZ-O 2.64Å; W503-H507 AromaticContact CD1-CD2 3.67Å; W503-H507 WeakPolarHBondContact O-CB 3.2Å; W503-H507 PolarHBondContact O-CD2 3.5Å; W503-H507 VanDerWaalsContact O-CD2 3.29Å; W503-H507 PolarHBondContact O-N 3.16Å; V505-H507 PolarHBondContact O-N 2.9Å; H507-V509 HydrophobicContact CB-CG2 3.69Å
508	K	95.1	Very high	95.7	Very high	85 Å²	85	31.2 Å²	31.2	37%	0.37	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.2	58.2	-174.7	-68.2	-167.9	175.9	-175.6	0	112.6	E254 A504 V505 V506 H510	E254-K508 IonicContact OE1-NZ 3.97Å; E254-K508 PolarHBondContact OE1-NZ 3.02Å; A504-K508 PolarHBondContact O-N 3.04Å; V505-K508 PolarHBondContact O-N 3.06Å; V505-K508 VanDerWaalsContact O-N 3.07Å; V506-K508 VanDerWaalsContact C-N 3.28Å; V506-K508 PolarHBondContact O-N 3.17Å; K508-H510 PolarHBondContact O-N 3.36Å
509	V	95.4	Very high	95.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.145	C	C	.	.			trans	-93	79.1	-177.6	-161.5	0	0	0	0	110.3	A465 I468 M472 W503 A504 H507 W516	A465-V509 HydrophobicContact CB-CG2 3.69Å; I468-V509 HydrophobicContact CB-CG1 4.13Å; I468-V509 HydrophobicContact CG2-CG1 3.51Å; M472-V509 HydrophobicContact CE-CG1 4.11Å; M472-V509 HydrophobicContact SD-CG1 4.32Å; W503-V509 HydrophobicContact CH2-CB 4.43Å; W503-V509 HydrophobicContact CH2-CG1 3.95Å; W503-V509 HydrophobicContact CH2-CG2 4.37Å; W503-V509 HydrophobicContact CZ2-CG1 4.46Å; W503-V509 HydrophobicContact CZ2-CG2 4.33Å; W503-V509 HydrophobicContact CZ3-CB 4.5Å; W503-V509 HydrophobicContact CZ3-CG1 4.39Å; A504-V509 PolarHBondContact O-N 2.91Å; H507-V509 HydrophobicContact CB-CG2 3.69Å; V509-W516 HydrophobicContact CG1-CH2 4.41Å; V509-W516 HydrophobicContact CG1-CZ2 4.05Å
510	H	93.8	Very high	95.7	Very high	26 Å²	26	26.9 Å²	26.9	12%	0.12	13%	0.131	C	C	.	.			trans	-145.3	146	178.4	166.2	-84.8	0	0	0	110.5	Y253 K508 H566	Y253-H510 HydrophobicContact CD2-CB 4.42Å; Y253-H510 HydrophobicContact CE2-CB 3.88Å; K508-H510 PolarHBondContact O-N 3.36Å; H510-H566 AromaticContact CD2-CD2 3.42Å; H510-H566 PolarHBondContact CD2-CD2 3.44Å; H510-H566 VanDerWaalsContact CD2-CD2 3.42Å; H510-H566 AromaticContact CD2-NE2 3.74Å; H510-H566 AromaticContact NE2-CD2 3.67Å; H510-H566 AromaticContact NE2-NE2 3.86Å
511	S	93.6	Very high	95.6	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.007	13%	0.133	C	C	.	.			trans	-144.6	139.4	168.3	170.2	0	0	0	0	109.2	E476 N513 V514	E476-S511 WeakPolarHBondContact OE1-CB 3.34Å; E476-S511 PolarHBondContact OE1-OG 3.27Å; S511-N513 PolarHBondContact O-N 3.44Å; S511-N513 VanDerWaalsContact O-N 3.11Å; S511-N513 PolarHBondContact OG-N 3.23Å; S511-N513 VanDerWaalsContact OG-N 3.1Å; S511-V514 PolarHBondContact O-N 3.23Å
512	P	91.6	Very high	95.5	Very high	76 Å²	76	27.8 Å²	27.8	49%	0.494	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-14.9	171.9	29.4	-36.9	0	0	0	113
513	N	94.8	Very high	95.4	Very high	17 Å²	17	23.2 Å²	23.2	9%	0.091	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-4	175.9	-83.5	-0.5	0	0	0	114.3	L475 E476 Q481 N482 A483 S511 F753	L475-N513 HydrophobicContact CB-CB 4.48Å; L475-N513 PolarHBondContact O-ND2 3.31Å; E476-N513 HydrophobicContact CG-CB 4.49Å; Q481-N513 PolarHBondContact O-ND2 3.06Å; N482-N513 WeakPolarHBondContact CA-O 3.3Å; N482-N513 WeakPolarHBondContact ND2-CA 3.2Å; N482-N513 WeakPolarHBondContact ND2-CB 3.42Å; N482-N513 VanDerWaalsContact ND2-CG 3.28Å; N482-N513 PolarHBondContact ND2-O 2.59Å; N482-N513 VanDerWaalsContact ND2-O 3.14Å; N482-N513 PolarHBondContact ND2-OD1 3Å; A483-N513 PolarHBondContact N-O 3.23Å; A483-N513 VanDerWaalsContact N-O 3.09Å; S511-N513 PolarHBondContact O-N 3.44Å; S511-N513 VanDerWaalsContact O-N 3.11Å; S511-N513 PolarHBondContact OG-N 3.23Å; S511-N513 VanDerWaalsContact OG-N 3.1Å; N513-F753 WeakPolarHBondContact O-CZ 3.49Å
514	V	95.8	Very high	95.2	Very high	5 Å²	5	22.9 Å²	22.9	3%	0.03	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	145.6	-175.1	176	0	0	0	0	111.8	M472 L475 A483 L485 S511	M472-V514 HydrophobicContact CE-CB 4.03Å; M472-V514 HydrophobicContact CE-CG1 3.91Å; M472-V514 HydrophobicContact CE-CG2 4.22Å; M472-V514 HydrophobicContact CG-CG2 3.97Å; L475-V514 HydrophobicContact CD1-CG2 3.83Å; A483-V514 WeakPolarHBondContact O-CA 3.24Å; L485-V514 HydrophobicContact CB-CG1 4.35Å; L485-V514 HydrophobicContact CD1-CG1 3.81Å; L485-V514 HydrophobicContact CG-CG1 3.94Å; S511-V514 PolarHBondContact O-N 3.23Å
515	R	95.3	Very high	95	Very high	45 Å²	45	24.7 Å²	24.7	17%	0.17	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	155.5	171	-74.4	-80.1	130.8	179.8	-2.1	109.7	A483 E484 L485 D568 F753	A483-R515 PolarHBondContact O-N 3.18Å; E484-R515 CarbonylContact C-O 3.57Å; E484-R515 WeakPolarHBondContact CA-O 3.46Å; E484-R515 HydrophobicContact CG-CB 4.43Å; L485-R515 PolarHBondContact N-O 3.39Å; R515-D568 VanDerWaalsContact CB-OD2 3.27Å; R515-D568 WeakPolarHBondContact CB-OD2 3.41Å; R515-D568 WeakPolarHBondContact CD-OD1 3.47Å; R515-D568 WeakPolarHBondContact CD-OD2 3.41Å; R515-D568 WeakPolarHBondContact CG-OD2 3.42Å; R515-D568 IonicContact NH1-OD1 3.9Å; R515-D568 PolarHBondContact NH1-OD1 3.32Å; R515-F753 HydrophobicContact CB-CE2 4.38Å; R515-F753 HydrophobicContact CB-CZ 4.28Å; R515-F753 HydrophobicContact CG-CD1 3.81Å; R515-F753 HydrophobicContact CG-CD2 4.01Å; R515-F753 HydrophobicContact CG-CE1 3.58Å; R515-F753 HydrophobicContact CG-CE2 3.78Å; R515-F753 HydrophobicContact CG-CG 4.02Å; R515-F753 HydrophobicContact CG-CZ 3.55Å
516	W	97.3	Very high	94.9	Very high	4 Å²	4	26.3 Å²	26.3	2%	0.015	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	133.4	-179.9	-61.2	113.8	0	0	0	112.2	A367 I468 M472 L485 L487 W503 V509 F563 H566 V567 D568	A367-W516 HydrophobicContact CB-CZ3 4.18Å; I468-W516 HydrophobicContact CG2-CH2 4.03Å; M472-W516 HydrophobicContact CE-CH2 4.17Å; M472-W516 HydrophobicContact CE-CZ2 3.7Å; L485-W516 HydrophobicContact CB-CE3 3.64Å; L485-W516 HydrophobicContact CB-CH2 4.42Å; L485-W516 HydrophobicContact CB-CZ3 3.45Å; L485-W516 VanDerWaalsContact CB-CZ3 3.45Å; L485-W516 HydrophobicContact CD1-CH2 3.92Å; L485-W516 HydrophobicContact CD1-CZ3 3.73Å; L485-W516 HydrophobicContact CG-CZ3 4.24Å; L485-W516 WeakPolarHBondContact O-CA 3.35Å; L487-W516 HydrophobicContact CD1-CD2 3.65Å; L487-W516 HydrophobicContact CD1-CE3 3.29Å; L487-W516 HydrophobicContact CD1-CG 4.31Å; L487-W516 HydrophobicContact CD1-CH2 4.06Å; L487-W516 HydrophobicContact CD1-CZ2 4.37Å; L487-W516 HydrophobicContact CD1-CZ3 3.52Å; L487-W516 HydrophobicContact CD2-CE3 4.48Å; L487-W516 HydrophobicContact CD2-CZ3 4.02Å; L487-W516 HydrophobicContact CG-CD2 4.42Å; L487-W516 HydrophobicContact CG-CE3 3.59Å; L487-W516 HydrophobicContact CG-CH2 4.47Å; L487-W516 HydrophobicContact CG-CZ3 3.62Å; W503-W516 HydrophobicContact CH2-CH2 4.45Å; V509-W516 HydrophobicContact CG1-CH2 4.41Å; V509-W516 HydrophobicContact CG1-CZ2 4.05Å; W516-F563 AromaticContact CD1-CE2 3.82Å; W516-F563 HydrophobicContact CG-CE2 4.2Å; W516-H566 PolarHBondContact N-O 3.04Å; W516-V567 HydrophobicContact CB-CG2 4.08Å; W516-V567 CarbonylContact O-C 3.53Å; W516-V567 WeakPolarHBondContact O-CA 3.4Å; W516-D568 PolarHBondContact O-N 3.17Å
517	L	97.6	Very high	94.8	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	148.9	158.4	-89.9	72	0	0	0	109.4	E484 L485 R486 L487 D568 G569 R631	E484-L517 HydrophobicContact CB-CD1 4.22Å; L485-L517 PolarHBondContact O-N 2.89Å; R486-L517 WeakPolarHBondContact CA-O 3.49Å; R486-L517 HydrophobicContact CG-CB 3.78Å; L487-L517 PolarHBondContact N-O 3.47Å; L517-D568 HydrophobicContact CD1-CB 4.26Å; L517-G569 WeakPolarHBondContact CA-O 3.31Å; L517-R631 HydrophobicContact CD2-CB 4.08Å
518	V	98	Very high	94.6	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	111.5	175	175.1	0	0	0	0	109.9	L487 I489 W497 V567 G569 F570 D571	L487-V518 CarbonylContact O-C 3.56Å; L487-V518 WeakPolarHBondContact O-CA 3.44Å; I489-V518 HydrophobicContact CB-CG1 3.83Å; I489-V518 HydrophobicContact CG1-CG1 3.58Å; W497-V518 HydrophobicContact CH2-CB 3.97Å; W497-V518 HydrophobicContact CH2-CG1 3.71Å; W497-V518 HydrophobicContact CH2-CG2 3.68Å; W497-V518 HydrophobicContact CZ2-CG1 4.01Å; W497-V518 HydrophobicContact CZ3-CG1 4.47Å; W497-V518 HydrophobicContact CZ3-CG2 3.92Å; V518-V567 HydrophobicContact CG2-CG1 3.98Å; V518-V567 HydrophobicContact CG2-CG2 4.44Å; V518-G569 PolarHBondContact N-O 3.47Å; V518-F570 CarbonylContact O-C 3.59Å; V518-F570 VanDerWaalsContact O-CA 3.3Å; V518-F570 WeakPolarHBondContact O-CA 3.47Å; V518-D571 PolarHBondContact O-N 2.69Å
519	Q	96.8	Very high	94.5	Very high	13 Å²	13	24 Å²	24	6%	0.061	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	131.1	-180	70.1	-172.9	18.5	0	0	111	H366 R486 L487 S488 I489 D571 V573	H366-Q519 PolarHBondContact CE1-OE1 3.23Å; H366-Q519 PolarHBondContact ND1-OE1 3.44Å; R486-Q519 HydrophobicContact CB-CB 4.37Å; R486-Q519 HydrophobicContact CB-CG 4.35Å; L487-Q519 PolarHBondContact O-N 3.44Å; S488-Q519 WeakPolarHBondContact CA-O 3.35Å; S488-Q519 WeakPolarHBondContact OG-CG 3.31Å; S488-Q519 PolarHBondContact OG-NE2 3.49Å; I489-Q519 PolarHBondContact N-O 3.22Å; I489-Q519 VanDerWaalsContact N-O 3.14Å; Q519-D571 WeakPolarHBondContact CA-O 3.31Å; Q519-D571 HydrophobicContact CB-CB 4Å; Q519-V573 HydrophobicContact CB-CG1 3.82Å; Q519-V573 HydrophobicContact CB-CG2 4.13Å; Q519-V573 HydrophobicContact CG-CG2 4.2Å
520	V	97.3	Very high	94.3	Very high	4 Å²	4	30.2 Å²	30.2	2%	0.024	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	108.9	176	-179.5	0	0	0	0	108.7	M539 I543 D571 S572 V573	V520-M539 HydrophobicContact CG1-CE 4.2Å; V520-I543 HydrophobicContact CG1-CD1 3.67Å; V520-I543 HydrophobicContact CG2-CD1 4.36Å; V520-I543 HydrophobicContact CG2-CG2 4.45Å; V520-D571 PolarHBondContact N-O 3.38Å; V520-S572 WeakPolarHBondContact O-CA 3.22Å; V520-V573 PolarHBondContact O-N 3.39Å
521	P	95.6	Very high	94.2	Very high	9 Å²	9	32 Å²	32	6%	0.058	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	136.4	175.9	-20.5	35.4	0	0	0	112	I489 Y490 L523 V573	I489-P521 WeakPolarHBondContact O-CD 3.49Å; Y490-P521 HydrophobicContact CD1-CG 3.8Å; Y490-P521 HydrophobicContact CE1-CG 3.8Å; P521-L523 HydrophobicContact CB-CD1 3.74Å; P521-L523 HydrophobicContact CB-CG 3.85Å; P521-L523 PolarHBondContact O-N 3.48Å; P521-V573 WeakPolarHBondContact CA-O 3.27Å; P521-V573 HydrophobicContact CB-CG2 3.94Å; P521-V573 HydrophobicContact CG-CG2 3.76Å
522	R	94.4	Very high	94.2	Very high	15 Å²	15	36 Å²	36	6%	0.057	20%	0.197	C	C	.	.			trans	-76.7	59.5	178.5	-63.9	175.9	-72.3	-95	3.5	112.3	S572 V573 D574 N599 Y602 Y605	R522-S572 PolarHBondContact NH1-O 3.26Å; R522-S572 PolarHBondContact NH1-OG 3.14Å; R522-V573 WeakPolarHBondContact CG-O 3.39Å; R522-V573 VanDerWaalsContact CZ-O 3.31Å; R522-V573 PolarHBondContact N-O 3.3Å; R522-V573 PolarHBondContact NE-O 3.11Å; R522-D574 HydrophobicContact CB-CB 4.37Å; R522-D574 PolarHBondContact NH2-O 2.9Å; R522-N599 PolarHBondContact O-ND2 3.15Å; R522-Y602 VanDerWaalsContact NH1-CE2 3.32Å; R522-Y605 VanDerWaalsContact C-OH 3.25Å; R522-Y605 WeakPolarHBondContact CA-OH 3.47Å; R522-Y605 HydrophobicContact CB-CD2 4.3Å; R522-Y605 HydrophobicContact CB-CE1 4.11Å; R522-Y605 HydrophobicContact CB-CE2 3.88Å; R522-Y605 HydrophobicContact CG-CD1 3.94Å; R522-Y605 HydrophobicContact CG-CD2 3.94Å; R522-Y605 HydrophobicContact CG-CE1 4.03Å; R522-Y605 HydrophobicContact CG-CE2 4.02Å; R522-Y605 HydrophobicContact CG-CG 3.88Å
523	L	93.7	Very high	94.3	Very high	34 Å²	34	32.6 Å²	32.6	18%	0.178	17%	0.174	C	C	.	.			trans	-115.4	28.2	-170.5	-64.2	177.9	0	0	0	113.6	P521 D525 V526 Y527 D574 Y605	P521-L523 HydrophobicContact CB-CD1 3.74Å; P521-L523 HydrophobicContact CB-CG 3.85Å; P521-L523 PolarHBondContact O-N 3.48Å; L523-D525 VanDerWaalsContact C-N 3.31Å; L523-D525 WeakPolarHBondContact CA-OD1 3.42Å; L523-D525 PolarHBondContact O-N 2.9Å; L523-V526 HydrophobicContact CB-CB 4.41Å; L523-V526 HydrophobicContact CD2-CG2 4.21Å; L523-V526 PolarHBondContact O-N 2.84Å; L523-Y527 HydrophobicContact CB-CE1 4.37Å; L523-Y527 HydrophobicContact CB-CE2 3.9Å; L523-Y527 WeakPolarHBondContact O-CD2 3.49Å; L523-Y527 PolarHBondContact O-N 3.04Å; L523-D574 HydrophobicContact CD2-CB 4.32Å; L523-D574 WeakPolarHBondContact CD2-OD2 3.23Å; L523-Y605 PolarHBondContact N-OH 3.35Å
524	F	93.7	Very high	94.3	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-55.9	-45.3	178.7	173.8	-101.2	0	0	0	112.2	V526 Y527 R528 L533 N535 F536 M539 W594 P600 Y605	F524-V526 VanDerWaalsContact C-N 3.34Å; F524-V526 PolarHBondContact O-N 3.09Å; F524-Y527 CarbonylContact O-C 3.59Å; F524-Y527 PolarHBondContact O-N 2.93Å; F524-Y527 VanDerWaalsContact O-N 3.08Å; F524-R528 HydrophobicContact CD1-CB 4.31Å; F524-R528 HydrophobicContact CE1-CB 3.94Å; F524-R528 HydrophobicContact CE1-CG 3.94Å; F524-R528 HydrophobicContact CE2-CB 4.41Å; F524-R528 HydrophobicContact CZ-CB 4Å; F524-R528 HydrophobicContact CZ-CG 3.94Å; F524-R528 WeakPolarHBondContact O-CB 3.33Å; F524-R528 PolarHBondContact O-N 2.77Å; F524-L533 HydrophobicContact CD2-CD1 3.95Å; F524-L533 HydrophobicContact CE2-CB 4.23Å; F524-L533 HydrophobicContact CE2-CD1 4.22Å; F524-N535 VanDerWaalsContact CE2-C 3.42Å; F524-N535 WeakPolarHBondContact CE2-O 3.36Å; F524-F536 HydrophobicContact CB-CD2 4.08Å; F524-F536 HydrophobicContact CB-CE2 4.25Å; F524-F536 HydrophobicContact CD1-CD2 4.42Å; F524-F536 HydrophobicContact CD2-CB 4.49Å; F524-F536 AromaticContact CD2-CD2 3.77Å; F524-F536 HydrophobicContact CD2-CD2 3.77Å; F524-F536 HydrophobicContact CE2-CB 4.22Å; F524-F536 HydrophobicContact CE2-CD2 4.33Å; F524-F536 AromaticContact CG-CD2 3.81Å; F524-F536 HydrophobicContact CG-CD2 3.81Å; F524-F536 HydrophobicContact CG-CE2 4.47Å; F524-F536 HydrophobicContact CZ-CB 4.36Å; F524-M539 HydrophobicContact CB-SD 3.95Å; F524-M539 HydrophobicContact CD2-SD 4.16Å; F524-W594 AromaticContact CE1-CD1 3.71Å; F524-P600 HydrophobicContact CD1-CG 4.4Å; F524-Y605 WeakPolarHBondContact CB-OH 3.37Å; F524-Y605 PolarHBondContact N-OH 3.38Å; F524-Y605 VanDerWaalsContact N-OH 3.14Å
525	D	91.4	Very high	94.4	Very high	38 Å²	38	35.6 Å²	35.6	20%	0.203	20%	0.198	C	C	.	.	H	α-helix	trans	-46	-54.3	172	58.7	-25.8	0	0	0	112.1	L523 Y527 R528 T529 E597 N599	L523-D525 VanDerWaalsContact C-N 3.31Å; L523-D525 WeakPolarHBondContact CA-OD1 3.42Å; L523-D525 PolarHBondContact O-N 2.9Å; D525-Y527 VanDerWaalsContact C-N 3.25Å; D525-Y527 PolarHBondContact O-N 3.31Å; D525-R528 PolarHBondContact O-N 3.31Å; D525-R528 VanDerWaalsContact O-N 3.13Å; D525-T529 PolarHBondContact O-N 3.16Å; D525-T529 PolarHBondContact O-OG1 3.35Å; D525-E597 WeakPolarHBondContact CB-O 3.47Å; D525-N599 HydrophobicContact CB-CB 3.95Å
526	V	91.3	Very high	94.4	Very high	48 Å²	48	33.6 Å²	33.6	29%	0.291	19%	0.191	S	C	.	.	H	α-helix	trans	-63.9	-29.7	-177.8	178.2	0	0	0	0	112.3	L523 F524 K530	L523-V526 HydrophobicContact CB-CB 4.41Å; L523-V526 HydrophobicContact CD2-CG2 4.21Å; L523-V526 PolarHBondContact O-N 2.84Å; F524-V526 VanDerWaalsContact C-N 3.34Å; F524-V526 PolarHBondContact O-N 3.09Å; V526-K530 HydrophobicContact CG1-CD 4.43Å; V526-K530 VanDerWaalsContact CG1-NZ 3.32Å; V526-K530 WeakPolarHBondContact O-CB 3.33Å; V526-K530 WeakPolarHBondContact O-CD 3.19Å; V526-K530 WeakPolarHBondContact O-CG 3.27Å
527	Y	92.3	Very high	94.5	Very high	17 Å²	17	34.3 Å²	34.3	7%	0.067	19%	0.194	C	C	.	.	H	α-helix	trans	-84.5	-32.7	176.4	-53.8	-31.9	0	0	0	112	Y490 R492 L523 F524 D525 K530 G531 Q532 L533 M539	Y490-Y527 WeakPolarHBondContact CD1-OH 3.43Å; Y490-Y527 WeakPolarHBondContact O-CE2 3.22Å; R492-Y527 HydrophobicContact CG-CD1 4.03Å; R492-Y527 HydrophobicContact CG-CD2 3.75Å; R492-Y527 HydrophobicContact CG-CE1 4.12Å; R492-Y527 HydrophobicContact CG-CE2 3.81Å; R492-Y527 HydrophobicContact CG-CG 3.89Å; L523-Y527 HydrophobicContact CB-CE1 4.37Å; L523-Y527 HydrophobicContact CB-CE2 3.9Å; L523-Y527 WeakPolarHBondContact O-CD2 3.49Å; L523-Y527 PolarHBondContact O-N 3.04Å; F524-Y527 CarbonylContact O-C 3.59Å; F524-Y527 PolarHBondContact O-N 2.93Å; F524-Y527 VanDerWaalsContact O-N 3.08Å; D525-Y527 VanDerWaalsContact C-N 3.25Å; D525-Y527 PolarHBondContact O-N 3.31Å; Y527-K530 PolarHBondContact O-N 3.29Å; Y527-G531 PolarHBondContact O-N 2.84Å; Y527-Q532 PolarHBondContact O-N 2.92Å; Y527-L533 HydrophobicContact CD2-CD1 4.14Å; Y527-L533 HydrophobicContact CG-CD1 4.47Å; Y527-M539 HydrophobicContact CE2-CE 4.49Å
528	R	92.3	Very high	94.4	Very high	64 Å²	64	37.6 Å²	37.6	24%	0.242	21%	0.21	C	C	.	.	H	α-helix	trans	-71.1	-51.2	-179.4	-174.7	61.1	-174.3	135.5	5.9	112	F524 D525 K530 G531 L533 A534 V595 E597	F524-R528 HydrophobicContact CD1-CB 4.31Å; F524-R528 HydrophobicContact CE1-CB 3.94Å; F524-R528 HydrophobicContact CE1-CG 3.94Å; F524-R528 HydrophobicContact CE2-CB 4.41Å; F524-R528 HydrophobicContact CZ-CB 4Å; F524-R528 HydrophobicContact CZ-CG 3.94Å; F524-R528 WeakPolarHBondContact O-CB 3.33Å; F524-R528 PolarHBondContact O-N 2.77Å; D525-R528 PolarHBondContact O-N 3.31Å; D525-R528 VanDerWaalsContact O-N 3.13Å; R528-K530 PolarHBondContact O-N 2.56Å; R528-K530 VanDerWaalsContact O-N 3.16Å; R528-G531 PolarHBondContact O-N 3.29Å; R528-L533 VanDerWaalsContact CD-O 3.32Å; R528-L533 WeakPolarHBondContact CD-O 3.29Å; R528-L533 PolarHBondContact NH1-O 3.37Å; R528-A534 PolarHBondContact NE-O 2.98Å; R528-A534 PolarHBondContact NH1-O 3.21Å; R528-A534 VanDerWaalsContact NH1-O 3.16Å; R528-V595 VanDerWaalsContact CZ-O 3.24Å; R528-V595 PolarHBondContact NE-O 3.38Å; R528-V595 PolarHBondContact NH2-O 3.23Å; R528-E597 HydrophobicContact CG-CG 4.27Å
529	T	92.3	Very high	94.4	Very high	88 Å²	88	37.6 Å²	37.6	54%	0.54	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-25.1	172.7	-54.6	0	0	0	0	112.5	D525 E597	D525-T529 PolarHBondContact O-N 3.16Å; D525-T529 PolarHBondContact O-OG1 3.35Å; T529-E597 VanDerWaalsContact CB-OE2 3.26Å; T529-E597 WeakPolarHBondContact CB-OE2 3.47Å; T529-E597 VanDerWaalsContact CG2-OE2 3.28Å; T529-E597 WeakPolarHBondContact CG2-OE2 3.4Å; T529-E597 PolarHBondContact OG1-OE2 3.32Å
530	K	91.6	Very high	94.5	Very high	131 Å²	131	37.1 Å²	37.1	57%	0.57	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.1	0.3	174.9	-70.7	177.9	-169.9	165.6	0	114.2	V526 Y527 R528 Q532	V526-K530 HydrophobicContact CG1-CD 4.43Å; V526-K530 VanDerWaalsContact CG1-NZ 3.32Å; V526-K530 WeakPolarHBondContact O-CB 3.33Å; V526-K530 WeakPolarHBondContact O-CD 3.19Å; V526-K530 WeakPolarHBondContact O-CG 3.27Å; Y527-K530 PolarHBondContact O-N 3.29Å; R528-K530 PolarHBondContact O-N 2.56Å; R528-K530 VanDerWaalsContact O-N 3.16Å; K530-Q532 HydrophobicContact CB-CG 4Å; K530-Q532 PolarHBondContact O-N 3.14Å
531	G	91.9	Very high	94.5	Very high	63 Å²	63	39 Å²	39	65%	0.649	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.3	22.4	-176.8	0	0	0	0	0	114.3	Y527 R528	Y527-G531 PolarHBondContact O-N 2.84Å; R528-G531 PolarHBondContact O-N 3.29Å
532	Q	92.6	Very high	94.6	Very high	86 Å²	86	39 Å²	39	40%	0.402	22%	0.215	S	C	.	.	S	Bend	trans	-84.9	-14.3	178.6	-63	-176.1	3.2	0	0	112.6	Y527 K530	Y527-Q532 PolarHBondContact O-N 2.92Å; K530-Q532 HydrophobicContact CB-CG 4Å; K530-Q532 PolarHBondContact O-N 3.14Å
533	L	94.9	Very high	94.8	Very high	3 Å²	3	38.5 Å²	38.5	2%	0.016	21%	0.214	C	C	.	.			trans	-140.1	143.2	176.3	-66.9	173.8	0	0	0	110.5	F524 Y527 R528 E538 M539	F524-L533 HydrophobicContact CD2-CD1 3.95Å; F524-L533 HydrophobicContact CE2-CB 4.23Å; F524-L533 HydrophobicContact CE2-CD1 4.22Å; Y527-L533 HydrophobicContact CD2-CD1 4.14Å; Y527-L533 HydrophobicContact CG-CD1 4.47Å; R528-L533 VanDerWaalsContact CD-O 3.32Å; R528-L533 WeakPolarHBondContact CD-O 3.29Å; R528-L533 PolarHBondContact NH1-O 3.37Å; L533-E538 WeakPolarHBondContact CA-OE2 3.44Å; L533-E538 HydrophobicContact CD2-CB 4.08Å; L533-E538 HydrophobicContact CD2-CG 3.74Å; L533-M539 HydrophobicContact CD1-CB 3.89Å; L533-M539 HydrophobicContact CD1-CG 4.07Å
534	A	95	Very high	95	Very high	55 Å²	55	36.9 Å²	36.9	46%	0.455	21%	0.205	S	C	.	.	S	Bend	trans	-83.6	-40.4	177.7	0	0	0	0	0	112.8	R528 E538	R528-A534 PolarHBondContact NE-O 2.98Å; R528-A534 PolarHBondContact NH1-O 3.21Å; R528-A534 VanDerWaalsContact NH1-O 3.16Å; A534-E538 WeakPolarHBondContact CB-OE2 3.37Å; A534-E538 PolarHBondContact N-OE2 2.89Å
535	N	96.5	Very high	95.2	Very high	31 Å²	31	37.1 Å²	37.1	17%	0.166	21%	0.206	C	C	.	.	S	Bend	trans	-156.3	174.3	178.6	62.9	20.5	0	0	0	111	F524 Q537 E538 E592 W594 V595	F524-N535 VanDerWaalsContact CE2-C 3.42Å; F524-N535 WeakPolarHBondContact CE2-O 3.36Å; N535-Q537 VanDerWaalsContact C-N 3.28Å; N535-Q537 PolarHBondContact O-N 3.4Å; N535-Q537 PolarHBondContact OD1-N 3.49Å; N535-E538 PolarHBondContact O-N 3.26Å; N535-E538 PolarHBondContact OD1-N 2.98Å; N535-E592 WeakPolarHBondContact ND2-CA 3.44Å; N535-E592 PolarHBondContact ND2-O 3.02Å; N535-W594 VanDerWaalsContact CA-O 3.27Å; N535-W594 WeakPolarHBondContact CA-O 3.49Å; N535-W594 WeakPolarHBondContact CB-O 3.32Å; N535-V595 HydrophobicContact CB-CG1 4.04Å
536	F	96.9	Very high	95.5	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.009	20%	0.197	C	C	.	.	H	α-helix	trans	-67.8	-25.7	178.9	-166.6	-103.7	0	0	0	113.4	F524 E538 M539 L540 P591 W594 P600 Y604 Y605	F524-F536 HydrophobicContact CB-CD2 4.08Å; F524-F536 HydrophobicContact CB-CE2 4.25Å; F524-F536 HydrophobicContact CD1-CD2 4.42Å; F524-F536 HydrophobicContact CD2-CB 4.49Å; F524-F536 AromaticContact CD2-CD2 3.77Å; F524-F536 HydrophobicContact CD2-CD2 3.77Å; F524-F536 HydrophobicContact CE2-CB 4.22Å; F524-F536 HydrophobicContact CE2-CD2 4.33Å; F524-F536 AromaticContact CG-CD2 3.81Å; F524-F536 HydrophobicContact CG-CD2 3.81Å; F524-F536 HydrophobicContact CG-CE2 4.47Å; F524-F536 HydrophobicContact CZ-CB 4.36Å; F536-E538 VanDerWaalsContact C-N 3.33Å; F536-E538 PolarHBondContact O-N 3.09Å; F536-M539 HydrophobicContact CD2-CB 4.46Å; F536-M539 HydrophobicContact CD2-SD 4.11Å; F536-M539 HydrophobicContact CE2-SD 3.71Å; F536-M539 WeakPolarHBondContact O-CB 3.4Å; F536-M539 PolarHBondContact O-N 3.01Å; F536-L540 HydrophobicContact CD1-CD1 3.72Å; F536-L540 HydrophobicContact CD1-CG 3.92Å; F536-L540 HydrophobicContact CE1-CD1 3.72Å; F536-L540 HydrophobicContact CE1-CD2 3.84Å; F536-L540 HydrophobicContact CE1-CG 3.72Å; F536-L540 HydrophobicContact CZ-CD2 4.35Å; F536-L540 HydrophobicContact CZ-CG 4.49Å; F536-L540 PolarHBondContact O-N 3.45Å; F536-L540 VanDerWaalsContact O-N 3.17Å; F536-P591 HydrophobicContact CB-CB 4.39Å; F536-P591 HydrophobicContact CD1-CB 4.07Å; F536-P591 HydrophobicContact CD1-CG 4.28Å; F536-P591 PolarHBondContact N-O 3.41Å; F536-W594 HydrophobicContact CB-CB 4Å; F536-W594 HydrophobicContact CB-CG 4.43Å; F536-W594 PolarHBondContact N-O 2.84Å; F536-P600 HydrophobicContact CD2-CG 3.7Å; F536-P600 HydrophobicContact CE2-CG 3.92Å; F536-P600 HydrophobicContact CG-CG 4.15Å; F536-Y604 HydrophobicContact CD1-CD1 4.15Å; F536-Y604 AromaticContact CD1-CE1 3.55Å; F536-Y604 HydrophobicContact CD1-CE1 3.55Å; F536-Y604 AromaticContact CE1-CD1 3.85Å; F536-Y604 HydrophobicContact CE1-CD1 3.85Å; F536-Y604 AromaticContact CE1-CE1 3.71Å; F536-Y604 HydrophobicContact CE1-CE1 3.71Å; F536-Y604 HydrophobicContact CG-CE1 4.29Å; F536-Y604 HydrophobicContact CZ-CD1 4.41Å; F536-Y605 HydrophobicContact CE2-CD1 4.03Å; F536-Y605 AromaticContact CE2-CE1 3.55Å; F536-Y605 HydrophobicContact CE2-CE1 3.55Å; F536-Y605 HydrophobicContact CE2-CE2 4.28Å; F536-Y605 AromaticContact CE2-CZ 3.72Å; F536-Y605 AromaticContact CZ-CD1 3.73Å; F536-Y605 HydrophobicContact CZ-CD1 3.73Å; F536-Y605 AromaticContact CZ-CE1 3.77Å; F536-Y605 HydrophobicContact CZ-CE1 3.77Å; F536-Y605 HydrophobicContact CZ-CG 4.17Å
537	Q	97.5	Very high	95.9	Very high	19 Å²	19	33.1 Å²	33.1	9%	0.089	18%	0.184	C	C	.	.	H	α-helix	trans	-62.1	-40.2	174.5	-175.9	165.9	-63	0	0	111.7	M271 N535 M539 L540 E541 P591 E592	M271-Q537 HydrophobicContact CB-CG 4.46Å; M271-Q537 HydrophobicContact CG-CG 3.87Å; M271-Q537 PolarHBondContact O-NE2 3.28Å; M271-Q537 HydrophobicContact SD-CG 3.61Å; N535-Q537 VanDerWaalsContact C-N 3.28Å; N535-Q537 PolarHBondContact O-N 3.4Å; N535-Q537 PolarHBondContact OD1-N 3.49Å; Q537-M539 PolarHBondContact O-N 3.35Å; Q537-L540 CarbonylContact O-C 3.52Å; Q537-L540 PolarHBondContact O-N 2.86Å; Q537-L540 VanDerWaalsContact O-N 3.08Å; Q537-E541 HydrophobicContact CG-CG 4.13Å; Q537-E541 PolarHBondContact NE2-OE1 3.12Å; Q537-E541 WeakPolarHBondContact O-CG 3.35Å; Q537-E541 PolarHBondContact O-N 2.95Å; Q537-P591 HydrophobicContact CB-CB 3.9Å; Q537-P591 PolarHBondContact N-O 2.69Å; Q537-E592 HydrophobicContact CB-CB 4.46Å
538	E	97.3	Very high	96.1	Very high	70 Å²	70	32.3 Å²	32.3	33%	0.327	18%	0.18	S	C	.	.	H	α-helix	trans	-59.2	-37.4	176.4	-170.5	176.7	-167.1	0	0	111.9	L533 A534 N535 F536 E541 N542	L533-E538 WeakPolarHBondContact CA-OE2 3.44Å; L533-E538 HydrophobicContact CD2-CB 4.08Å; L533-E538 HydrophobicContact CD2-CG 3.74Å; A534-E538 WeakPolarHBondContact CB-OE2 3.37Å; A534-E538 PolarHBondContact N-OE2 2.89Å; N535-E538 PolarHBondContact O-N 3.26Å; N535-E538 PolarHBondContact OD1-N 2.98Å; F536-E538 VanDerWaalsContact C-N 3.33Å; F536-E538 PolarHBondContact O-N 3.09Å; E538-E541 PolarHBondContact O-N 2.9Å; E538-N542 WeakPolarHBondContact O-CB 3.4Å; E538-N542 PolarHBondContact O-N 2.93Å; E538-N542 PolarHBondContact O-ND2 3Å; E538-N542 VanDerWaalsContact O-ND2 3.1Å
539	M	97.6	Very high	96.3	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-61.4	-46.7	173.4	-162.8	179.9	175.8	0	0	111.8	Y490 G491 V520 F524 Y527 L533 F536 Q537 N542 I543 Y605	Y490-M539 WeakPolarHBondContact O-CE 3.48Å; G491-M539 WeakPolarHBondContact O-CA 3.37Å; V520-M539 HydrophobicContact CG1-CE 4.2Å; F524-M539 HydrophobicContact CB-SD 3.95Å; F524-M539 HydrophobicContact CD2-SD 4.16Å; Y527-M539 HydrophobicContact CE2-CE 4.49Å; L533-M539 HydrophobicContact CD1-CB 3.89Å; L533-M539 HydrophobicContact CD1-CG 4.07Å; F536-M539 HydrophobicContact CD2-CB 4.46Å; F536-M539 HydrophobicContact CD2-SD 4.11Å; F536-M539 HydrophobicContact CE2-SD 3.71Å; F536-M539 WeakPolarHBondContact O-CB 3.4Å; F536-M539 PolarHBondContact O-N 3.01Å; Q537-M539 PolarHBondContact O-N 3.35Å; M539-N542 PolarHBondContact O-N 2.94Å; M539-I543 HydrophobicContact CE-CD1 4.38Å; M539-I543 HydrophobicContact CG-CD1 4.06Å; M539-I543 WeakPolarHBondContact O-CD1 3.37Å; M539-I543 VanDerWaalsContact O-CG1 3.25Å; M539-I543 WeakPolarHBondContact O-CG1 3.04Å; M539-I543 PolarHBondContact O-N 2.78Å; M539-I543 VanDerWaalsContact O-N 3.07Å; M539-Y605 HydrophobicContact CE-CE1 4.13Å; M539-Y605 HydrophobicContact SD-CE1 4.27Å
540	L	98.2	Very high	96.5	Very high	3 Å²	3	27.5 Å²	27.5	2%	0.016	16%	0.155	C	C	.	.	H	α-helix	trans	-66.6	-38.4	178.1	-66	172.3	0	0	0	112.1	M271 F536 Q537 I543 F544 P591 Y608	M271-L540 HydrophobicContact CE-CB 3.81Å; M271-L540 HydrophobicContact SD-CB 3.54Å; M271-L540 VanDerWaalsContact SD-CB 3.54Å; F536-L540 HydrophobicContact CD1-CD1 3.72Å; F536-L540 HydrophobicContact CD1-CG 3.92Å; F536-L540 HydrophobicContact CE1-CD1 3.72Å; F536-L540 HydrophobicContact CE1-CD2 3.84Å; F536-L540 HydrophobicContact CE1-CG 3.72Å; F536-L540 HydrophobicContact CZ-CD2 4.35Å; F536-L540 HydrophobicContact CZ-CG 4.49Å; F536-L540 PolarHBondContact O-N 3.45Å; F536-L540 VanDerWaalsContact O-N 3.17Å; Q537-L540 CarbonylContact O-C 3.52Å; Q537-L540 PolarHBondContact O-N 2.86Å; Q537-L540 VanDerWaalsContact O-N 3.08Å; L540-I543 PolarHBondContact O-N 3.06Å; L540-F544 HydrophobicContact CD2-CD2 4.34Å; L540-F544 HydrophobicContact CD2-CE2 4.1Å; L540-F544 WeakPolarHBondContact O-CB 3.45Å; L540-F544 WeakPolarHBondContact O-CD2 3.38Å; L540-F544 PolarHBondContact O-N 3.24Å; L540-P591 HydrophobicContact CD1-CB 3.9Å; L540-P591 HydrophobicContact CD1-CG 3.95Å; L540-Y608 HydrophobicContact CD1-CD1 4.2Å; L540-Y608 HydrophobicContact CD1-CG 3.97Å
541	E	98.1	Very high	96.8	Very high	42 Å²	42	21.2 Å²	21.2	20%	0.196	13%	0.128	C	C	.	.	H	α-helix	trans	-61.5	-46	174.4	-76.6	-170.1	-154.6	0	0	111.3	M271 R494 Q537 E538 I543 F544 L545 P546	M271-E541 HydrophobicContact CB-CG 3.72Å; M271-E541 HydrophobicContact CE-CG 4.33Å; M271-E541 HydrophobicContact CG-CG 4.21Å; M271-E541 HydrophobicContact SD-CB 4.5Å; M271-E541 HydrophobicContact SD-CG 3.63Å; R494-E541 IonicContact CZ-OE2 3.61Å; R494-E541 IonicContact NH2-OE2 2.66Å; R494-E541 PolarHBondContact NH2-OE2 2.97Å; Q537-E541 HydrophobicContact CG-CG 4.13Å; Q537-E541 PolarHBondContact NE2-OE1 3.12Å; Q537-E541 WeakPolarHBondContact O-CG 3.35Å; Q537-E541 PolarHBondContact O-N 2.95Å; E538-E541 PolarHBondContact O-N 2.9Å; E541-I543 VanDerWaalsContact C-N 3.28Å; E541-I543 PolarHBondContact O-N 3.2Å; E541-F544 PolarHBondContact O-N 3Å; E541-L545 HydrophobicContact CB-CD1 3.87Å; E541-L545 HydrophobicContact CG-CD1 3.68Å; E541-L545 HydrophobicContact CG-CG 4.49Å; E541-L545 WeakPolarHBondContact O-CB 3.35Å; E541-L545 PolarHBondContact O-N 2.98Å; E541-P546 WeakPolarHBondContact O-CD 3.44Å
542	N	98	Very high	97	Very high	9 Å²	9	18.6 Å²	18.6	5%	0.048	10%	0.099	C	C	.	.	H	α-helix	trans	-62.6	-32.8	176.3	-69.8	-29.3	0	0	0	113	G491 R492 S493 R494 E538 M539	G491-N542 VanDerWaalsContact O-CB 3.23Å; G491-N542 WeakPolarHBondContact O-CB 3.47Å; G491-N542 PolarHBondContact O-ND2 3.08Å; R492-N542 VanDerWaalsContact C-ND2 3.33Å; S493-N542 PolarHBondContact N-ND2 2.81Å; R494-N542 WeakPolarHBondContact CG-OD1 3.47Å; R494-N542 PolarHBondContact N-OD1 3.33Å; E538-N542 WeakPolarHBondContact O-CB 3.4Å; E538-N542 PolarHBondContact O-N 2.93Å; E538-N542 PolarHBondContact O-ND2 3Å; E538-N542 VanDerWaalsContact O-ND2 3.1Å; M539-N542 PolarHBondContact O-N 2.94Å
543	I	98.1	Very high	97.1	Very high	5 Å²	5	17.1 Å²	17.1	3%	0.026	9%	0.092	C	C	.	.	H	α-helix	trans	-80.2	-43.4	178	-66.8	162.1	0	0	0	111.9	I489 W497 V520 M539 L540 E541	I489-I543 HydrophobicContact CG2-CG1 4.32Å; W497-I543 PolarHBondContact NE1-O 3.42Å; V520-I543 HydrophobicContact CG1-CD1 3.67Å; V520-I543 HydrophobicContact CG2-CD1 4.36Å; V520-I543 HydrophobicContact CG2-CG2 4.45Å; M539-I543 HydrophobicContact CE-CD1 4.38Å; M539-I543 HydrophobicContact CG-CD1 4.06Å; M539-I543 WeakPolarHBondContact O-CD1 3.37Å; M539-I543 VanDerWaalsContact O-CG1 3.25Å; M539-I543 WeakPolarHBondContact O-CG1 3.04Å; M539-I543 PolarHBondContact O-N 2.78Å; M539-I543 VanDerWaalsContact O-N 3.07Å; L540-I543 PolarHBondContact O-N 3.06Å; E541-I543 VanDerWaalsContact C-N 3.28Å; E541-I543 PolarHBondContact O-N 3.2Å
544	F	98.4	Very high	97.1	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-104.7	-37.9	-166.5	-71.2	-69.6	0	0	0	115.2	M271 V276 L540 E541 L547 F548 F570 T609 N612	M271-F544 HydrophobicContact CE-CB 4.29Å; V276-F544 HydrophobicContact CG2-CB 4.18Å; L540-F544 HydrophobicContact CD2-CD2 4.34Å; L540-F544 HydrophobicContact CD2-CE2 4.1Å; L540-F544 WeakPolarHBondContact O-CB 3.45Å; L540-F544 WeakPolarHBondContact O-CD2 3.38Å; L540-F544 PolarHBondContact O-N 3.24Å; E541-F544 PolarHBondContact O-N 3Å; F544-L547 HydrophobicContact CD1-CD1 4.35Å; F544-L547 WeakPolarHBondContact O-CB 3.31Å; F544-L547 PolarHBondContact O-N 2.75Å; F544-F548 HydrophobicContact CB-CD2 4.48Å; F544-F548 HydrophobicContact CB-CE2 4.45Å; F544-F548 WeakPolarHBondContact O-CD2 3.3Å; F544-F548 PolarHBondContact O-N 3.44Å; F544-F570 HydrophobicContact CE1-CE1 4.25Å; F544-F570 HydrophobicContact CE1-CE2 4.42Å; F544-F570 AromaticContact CE1-CZ 3.97Å; F544-F570 HydrophobicContact CE1-CZ 3.97Å; F544-T609 HydrophobicContact CZ-CG2 4.13Å; F544-N612 HydrophobicContact CB-CB 4.22Å; F544-N612 HydrophobicContact CD1-CB 3.56Å; F544-N612 HydrophobicContact CD2-CB 3.61Å; F544-N612 HydrophobicContact CE1-CB 3.76Å; F544-N612 HydrophobicContact CE2-CB 3.81Å; F544-N612 HydrophobicContact CG-CB 3.5Å; F544-N612 VanDerWaalsContact CG-CB 3.5Å; F544-N612 HydrophobicContact CZ-CB 3.89Å
545	L	97.5	Very high	97.1	Very high	5 Å²	5	15.8 Å²	15.8	3%	0.026	8%	0.081	C	C	.	.	H	α-helix	trans	-60.9	-42.3	-173.8	-73.8	173.4	0	0	0	113.5	L269 V276 E541 L547 F548 E549	L269-L545 HydrophobicContact CB-CD2 4.17Å; V276-L545 HydrophobicContact CB-CD2 4.35Å; V276-L545 HydrophobicContact CG1-CD2 3.72Å; V276-L545 HydrophobicContact CG2-CD2 3.63Å; V276-L545 HydrophobicContact CG2-CG 4.13Å; E541-L545 HydrophobicContact CB-CD1 3.87Å; E541-L545 HydrophobicContact CG-CD1 3.68Å; E541-L545 HydrophobicContact CG-CG 4.49Å; E541-L545 WeakPolarHBondContact O-CB 3.35Å; E541-L545 PolarHBondContact O-N 2.98Å; L545-L547 PolarHBondContact O-N 3.37Å; L545-L547 VanDerWaalsContact O-N 3.13Å; L545-F548 PolarHBondContact O-N 3.44Å; L545-F548 VanDerWaalsContact O-N 3.08Å; L545-E549 WeakPolarHBondContact O-CB 3.16Å; L545-E549 WeakPolarHBondContact O-CG 3.45Å; L545-E549 PolarHBondContact O-N 3.48Å
546	P	98	Very high	97	Very high	2 Å²	2	17.2 Å²	17.2	1%	0.013	9%	0.094	C	C	.	.	H	α-helix	trans	-56.1	-30.9	174	-28.1	36.9	0	0	0	114.1	R494 W497 E541 A550 L560	R494-P546 HydrophobicContact CB-CG 4.1Å; R494-P546 WeakPolarHBondContact O-CG 3.42Å; W497-P546 HydrophobicContact CB-CB 4.14Å; W497-P546 HydrophobicContact CG-CB 4.29Å; E541-P546 WeakPolarHBondContact O-CD 3.44Å; P546-A550 VanDerWaalsContact O-CB 3.23Å; P546-A550 WeakPolarHBondContact O-CB 3.3Å; P546-A550 PolarHBondContact O-N 3.26Å; P546-L560 HydrophobicContact CB-CD2 4.35Å
547	L	98.1	Very high	96.9	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-76.5	-36.6	178.2	-56.5	178.1	0	0	0	112.6	W497 F544 L545 T551 L560 L564 F570 L616	W497-L547 HydrophobicContact CD2-CD2 3.8Å; W497-L547 HydrophobicContact CD2-CG 4.46Å; W497-L547 HydrophobicContact CE3-CD2 3.93Å; W497-L547 HydrophobicContact CG-CD2 4.43Å; W497-L547 HydrophobicContact CH2-CD1 4.19Å; W497-L547 HydrophobicContact CH2-CD2 3.84Å; W497-L547 HydrophobicContact CZ2-CD1 3.67Å; W497-L547 HydrophobicContact CZ2-CD2 3.76Å; W497-L547 HydrophobicContact CZ2-CG 4.02Å; W497-L547 HydrophobicContact CZ3-CD2 3.94Å; F544-L547 HydrophobicContact CD1-CD1 4.35Å; F544-L547 WeakPolarHBondContact O-CB 3.31Å; F544-L547 PolarHBondContact O-N 2.75Å; L545-L547 PolarHBondContact O-N 3.37Å; L545-L547 VanDerWaalsContact O-N 3.13Å; L547-T551 WeakPolarHBondContact O-CB 3.35Å; L547-T551 PolarHBondContact O-N 3.42Å; L547-T551 PolarHBondContact O-OG1 3.12Å; L547-L560 HydrophobicContact CD2-CD1 4.48Å; L547-L564 HydrophobicContact CD2-CD1 3.72Å; L547-L564 HydrophobicContact CD2-CD2 3.75Å; L547-L564 HydrophobicContact CD2-CG 4.34Å; L547-F570 HydrophobicContact CD1-CE1 4.22Å; L547-F570 HydrophobicContact CD1-CZ 3.65Å; L547-L616 HydrophobicContact CB-CD1 4.34Å; L547-L616 HydrophobicContact CB-CD2 3.69Å; L547-L616 HydrophobicContact CD1-CD2 3.88Å; L547-L616 HydrophobicContact CG-CD2 4.47Å
548	F	97.7	Very high	96.8	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-69.9	-41.9	170.8	-80.6	-93.9	0	0	0	110.8	L269 V276 V278 F544 L545 T551 V552 M615 L616 L619	L269-F548 HydrophobicContact CD1-CB 3.65Å; L269-F548 HydrophobicContact CD2-CB 3.85Å; L269-F548 HydrophobicContact CD2-CD1 4.05Å; L269-F548 HydrophobicContact CD2-CG 4.31Å; L269-F548 HydrophobicContact CG-CB 4.36Å; V276-F548 HydrophobicContact CB-CD2 3.9Å; V276-F548 HydrophobicContact CB-CE1 4.27Å; V276-F548 HydrophobicContact CB-CE2 3.61Å; V276-F548 HydrophobicContact CB-CG 4.36Å; V276-F548 HydrophobicContact CB-CZ 3.8Å; V276-F548 HydrophobicContact CG1-CB 4.36Å; V276-F548 HydrophobicContact CG1-CD1 3.88Å; V276-F548 HydrophobicContact CG1-CD2 3.8Å; V276-F548 HydrophobicContact CG1-CE1 4.03Å; V276-F548 HydrophobicContact CG1-CE2 3.95Å; V276-F548 HydrophobicContact CG1-CG 3.77Å; V276-F548 HydrophobicContact CG1-CZ 4.05Å; V276-F548 HydrophobicContact CG2-CD2 3.89Å; V276-F548 HydrophobicContact CG2-CE2 3.8Å; V276-F548 HydrophobicContact CG2-CZ 4.49Å; V278-F548 HydrophobicContact CG2-CD1 4.07Å; V278-F548 HydrophobicContact CG2-CE1 3.97Å; F544-F548 HydrophobicContact CB-CD2 4.48Å; F544-F548 HydrophobicContact CB-CE2 4.45Å; F544-F548 WeakPolarHBondContact O-CD2 3.3Å; F544-F548 PolarHBondContact O-N 3.44Å; L545-F548 PolarHBondContact O-N 3.44Å; L545-F548 VanDerWaalsContact O-N 3.08Å; F548-T551 CarbonylContact O-C 3.21Å; F548-T551 WeakPolarHBondContact O-CA 3.48Å; F548-T551 PolarHBondContact O-N 3.22Å; F548-T551 VanDerWaalsContact O-N 3.07Å; F548-V552 WeakPolarHBondContact O-CG2 3.46Å; F548-V552 PolarHBondContact O-N 3.03Å; F548-M615 HydrophobicContact CE1-CB 4.3Å; F548-M615 HydrophobicContact CZ-CB 3.96Å; F548-L616 HydrophobicContact CD1-CD1 4.13Å; F548-L616 HydrophobicContact CD2-CB 4.46Å; F548-L616 HydrophobicContact CD2-CD1 4.01Å; F548-L616 HydrophobicContact CE1-CB 4.19Å; F548-L616 HydrophobicContact CE1-CD1 4.3Å; F548-L616 HydrophobicContact CE2-CB 3.78Å; F548-L616 HydrophobicContact CE2-CD1 4.18Å; F548-L616 HydrophobicContact CE2-CG 4.39Å; F548-L616 HydrophobicContact CG-CD1 3.99Å; F548-L616 HydrophobicContact CZ-CB 3.63Å; F548-L616 HydrophobicContact CZ-CD1 4.33Å; F548-L619 HydrophobicContact CD1-CD2 3.86Å; F548-L619 HydrophobicContact CE1-CD2 4.35Å
549	E	96.9	Very high	96.7	Very high	50 Å²	50	16.5 Å²	16.5	23%	0.234	9%	0.092	C	C	.	.	H	α-helix	trans	-59.1	-51.6	176.9	-70.8	161.9	-174.4	0	0	110.3	L269 R494 L545 T551 V552 H553 H557	L269-E549 HydrophobicContact CD1-CB 4.38Å; L269-E549 HydrophobicContact CD1-CG 3.72Å; R494-E549 IonicContact NH1-OE1 2.75Å; R494-E549 PolarHBondContact NH1-OE1 3.4Å; L545-E549 WeakPolarHBondContact O-CB 3.16Å; L545-E549 WeakPolarHBondContact O-CG 3.45Å; L545-E549 PolarHBondContact O-N 3.48Å; E549-T551 PolarHBondContact O-N 2.97Å; E549-V552 PolarHBondContact O-N 3.1Å; E549-H553 PolarHBondContact O-N 3.26Å; E549-H557 IonicContact OE2-NE2 3.52Å
550	A	96.8	Very high	96.7	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.008	9%	0.092	C	C	.	.	H	α-helix	trans	-63	-24.9	172.6	0	0	0	0	0	114.1	P546 P554 H557 L560	P546-A550 VanDerWaalsContact O-CB 3.23Å; P546-A550 WeakPolarHBondContact O-CB 3.3Å; P546-A550 PolarHBondContact O-N 3.26Å; A550-P554 VanDerWaalsContact O-CA 3.28Å; A550-P554 WeakPolarHBondContact O-CA 3.39Å; A550-P554 WeakPolarHBondContact O-CD 3.44Å; A550-P554 WeakPolarHBondContact O-CG 3.27Å; A550-H557 HydrophobicContact CB-CB 3.85Å; A550-L560 HydrophobicContact CB-CD2 3.92Å; A550-L560 HydrophobicContact CB-CG 4.13Å
551	T	96.7	Very high	96.6	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-82.2	-35.4	175.6	-64.5	0	0	0	0	112.1	L547 F548 E549 L619 R620 R623 F625	L547-T551 WeakPolarHBondContact O-CB 3.35Å; L547-T551 PolarHBondContact O-N 3.42Å; L547-T551 PolarHBondContact O-OG1 3.12Å; F548-T551 CarbonylContact O-C 3.21Å; F548-T551 WeakPolarHBondContact O-CA 3.48Å; F548-T551 PolarHBondContact O-N 3.22Å; F548-T551 VanDerWaalsContact O-N 3.07Å; E549-T551 PolarHBondContact O-N 2.97Å; T551-L619 HydrophobicContact CG2-CB 4.4Å; T551-L619 HydrophobicContact CG2-CD2 3.79Å; T551-L619 HydrophobicContact CG2-CG 3.77Å; T551-R620 HydrophobicContact CG2-CB 4.45Å; T551-R620 HydrophobicContact CG2-CG 3.46Å; T551-R620 VanDerWaalsContact CG2-CG 3.46Å; T551-R620 WeakPolarHBondContact OG1-CG 3.45Å; T551-R620 PolarHBondContact OG1-NH1 3.06Å; T551-R623 WeakPolarHBondContact O-CD 3.24Å; T551-R623 PolarHBondContact O-NH1 3.28Å; T551-F625 HydrophobicContact CG2-CD2 4.37Å
552	V	96	Very high	96.3	Very high	7 Å²	7	16.9 Å²	16.9	4%	0.042	9%	0.094	C	C	.	.	H	α-helix	trans	-75.2	-41.6	176.4	169.8	0	0	0	0	111	L265 L267 L269 F548 E549 L619 R623	L265-V552 HydrophobicContact CB-CG1 4.33Å; L265-V552 PolarHBondContact N-O 2.66Å; L265-V552 VanDerWaalsContact N-O 3.12Å; L267-V552 HydrophobicContact CB-CG1 4.07Å; L267-V552 HydrophobicContact CB-CG2 4.2Å; L267-V552 HydrophobicContact CD1-CG2 4.4Å; L269-V552 HydrophobicContact CD1-CG2 4.12Å; L269-V552 HydrophobicContact CD2-CG2 4.1Å; L269-V552 HydrophobicContact CG-CG2 4.34Å; F548-V552 WeakPolarHBondContact O-CG2 3.46Å; F548-V552 PolarHBondContact O-N 3.03Å; E549-V552 PolarHBondContact O-N 3.1Å; V552-L619 HydrophobicContact CG2-CD2 4.08Å; V552-R623 PolarHBondContact O-NH1 3.44Å
553	H	95.2	Very high	96.2	Very high	56 Å²	56	16.4 Å²	16.4	26%	0.259	9%	0.092	S	C	.	.			trans	-140.5	81.1	-177.6	-178.3	-124.4	0	0	0	111.2	D264 E549 A555 S556	D264-H553 HydrophobicContact CB-CB 4.36Å; D264-H553 VanDerWaalsContact CB-CD2 3.44Å; D264-H553 WeakPolarHBondContact CB-CD2 3.47Å; D264-H553 IonicContact OD2-CD2 3.69Å; D264-H553 IonicContact OD2-CG 3.74Å; E549-H553 PolarHBondContact O-N 3.26Å; H553-A555 PolarHBondContact O-N 2.9Å; H553-S556 PolarHBondContact CE1-N 3.06Å; H553-S556 VanDerWaalsContact ND1-CB 3.28Å; H553-S556 WeakPolarHBondContact ND1-CB 3.36Å; H553-S556 PolarHBondContact ND1-N 3.27Å; H553-S556 PolarHBondContact ND1-OG 2.82Å; H553-S556 PolarHBondContact O-N 3.12Å; H553-S556 PolarHBondContact O-OG 3.23Å; H553-S556 VanDerWaalsContact O-OG 3.08Å
554	P	95.4	Very high	96.1	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.091	C	C	.	.	G	3₁₀ helix	trans	-48.7	-35.8	178	-31.8	35.3	0	0	0	115	M261 P262 A550 S556 H557 P558 H561 F625	M261-P554 HydrophobicContact CB-CB 4.17Å; M261-P554 HydrophobicContact SD-CB 4.35Å; P262-P554 WeakPolarHBondContact O-CD 3.42Å; A550-P554 VanDerWaalsContact O-CA 3.28Å; A550-P554 WeakPolarHBondContact O-CA 3.39Å; A550-P554 WeakPolarHBondContact O-CD 3.44Å; A550-P554 WeakPolarHBondContact O-CG 3.27Å; P554-S556 VanDerWaalsContact C-N 3.27Å; P554-S556 PolarHBondContact O-N 3.46Å; P554-H557 CarbonylContact O-C 3.53Å; P554-H557 PolarHBondContact O-N 3.31Å; P554-H557 VanDerWaalsContact O-N 3.09Å; P554-P558 WeakPolarHBondContact O-CA 3.33Å; P554-H561 HydrophobicContact CB-CB 4.1Å; P554-F625 HydrophobicContact CG-CE2 3.97Å; P554-F625 HydrophobicContact CG-CZ 3.9Å
555	A	93.9	Very high	95.8	Very high	29 Å²	29	19 Å²	19	24%	0.24	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-70.2	-10.3	-177.9	0	0	0	0	0	115.3	P258 H553	P258-A555 HydrophobicContact CB-CB 3.88Å; H553-A555 PolarHBondContact O-N 2.9Å
556	S	94.3	Very high	95.5	Very high	62 Å²	62	20 Å²	20	43%	0.434	11%	0.108	S	C	.	.	G	3₁₀ helix	trans	-89	-16.9	166.9	50.9	0	0	0	0	114.3	H553 P554	H553-S556 PolarHBondContact CE1-N 3.06Å; H553-S556 VanDerWaalsContact ND1-CB 3.28Å; H553-S556 WeakPolarHBondContact ND1-CB 3.36Å; H553-S556 PolarHBondContact ND1-N 3.27Å; H553-S556 PolarHBondContact ND1-OG 2.82Å; H553-S556 PolarHBondContact O-N 3.12Å; H553-S556 PolarHBondContact O-OG 3.23Å; H553-S556 VanDerWaalsContact O-OG 3.08Å; P554-S556 VanDerWaalsContact C-N 3.27Å; P554-S556 PolarHBondContact O-N 3.46Å
557	H	95.6	Very high	95.4	Very high	22 Å²	22	20 Å²	20	10%	0.102	11%	0.108	C	C	.	.	S	Bend	trans	-132.5	62.8	174.4	-51.7	-96.3	0	0	0	110.3	D498 E549 A550 P554 E559 L560 H561	D498-H557 IonicContact OD1-CG 3.19Å; D498-H557 IonicContact OD1-ND1 3.61Å; D498-H557 PolarHBondContact OD1-ND1 3.41Å; D498-H557 IonicContact OD2-CE1 3.4Å; D498-H557 IonicContact OD2-ND1 2.62Å; D498-H557 PolarHBondContact OD2-ND1 3.26Å; D498-H557 VanDerWaalsContact OD2-ND1 3.12Å; E549-H557 IonicContact OE2-NE2 3.52Å; A550-H557 HydrophobicContact CB-CB 3.85Å; P554-H557 CarbonylContact O-C 3.53Å; P554-H557 PolarHBondContact O-N 3.31Å; P554-H557 VanDerWaalsContact O-N 3.09Å; H557-E559 PolarHBondContact O-N 2.87Å; H557-L560 HydrophobicContact CB-CB 3.77Å; H557-L560 HydrophobicContact CB-CD2 4.11Å; H557-L560 HydrophobicContact CB-CG 4.48Å; H557-L560 WeakPolarHBondContact O-CB 3.35Å; H557-L560 PolarHBondContact O-N 3.24Å; H557-L560 VanDerWaalsContact O-N 3.1Å; H557-H561 PolarHBondContact O-N 3.23Å
558	P	95.1	Very high	95.3	Very high	20 Å²	20	20.1 Å²	20.1	13%	0.13	11%	0.109	C	C	.	.	H	α-helix	trans	-68	-38	-166.7	27.1	-34.2	0	0	0	112.7	P258 M261 P554 L560 L562	P258-P558 HydrophobicContact CG-CB 4.09Å; P258-P558 HydrophobicContact CG-CG 4.18Å; M261-P558 HydrophobicContact CE-CB 3.57Å; M261-P558 HydrophobicContact SD-CB 3.65Å; P554-P558 WeakPolarHBondContact O-CA 3.33Å; P558-L560 VanDerWaalsContact C-N 3.32Å; P558-L560 PolarHBondContact O-N 3.07Å; P558-L562 PolarHBondContact O-N 3.39Å
559	E	95.9	Very high	95.2	Very high	34 Å²	34	20.1 Å²	20.1	16%	0.159	11%	0.109	C	C	.	.	H	α-helix	trans	-62.5	-39.5	171.7	-58.9	103.2	118.8	0	0	111.9	A501 R502 V505 H557 L562 F563	A501-E559 HydrophobicContact CB-CB 4.12Å; R502-E559 IonicContact CZ-OE1 3.52Å; R502-E559 IonicContact NE-OE1 3.44Å; R502-E559 PolarHBondContact NE-OE1 3.45Å; R502-E559 IonicContact NH2-OE1 3.31Å; R502-E559 PolarHBondContact NH2-OE1 3.08Å; V505-E559 HydrophobicContact CB-CB 4.26Å; V505-E559 HydrophobicContact CB-CG 4.2Å; V505-E559 HydrophobicContact CG1-CG 4.09Å; V505-E559 HydrophobicContact CG2-CB 3.97Å; V505-E559 HydrophobicContact CG2-CG 4.39Å; H557-E559 PolarHBondContact O-N 2.87Å; E559-L562 PolarHBondContact O-N 2.64Å; E559-F563 WeakPolarHBondContact O-CB 3.44Å; E559-F563 PolarHBondContact O-N 3.06Å
560	L	96.8	Very high	95.3	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-68	-41	-178.9	-175.6	55.6	0	0	0	111.6	W497 A501 P546 L547 A550 H557 P558 L562 F563 L564	W497-L560 HydrophobicContact CB-CD1 4.15Å; W497-L560 HydrophobicContact CB-CD2 3.95Å; W497-L560 HydrophobicContact CD2-CD1 4.34Å; W497-L560 HydrophobicContact CE3-CD1 3.67Å; W497-L560 HydrophobicContact CZ3-CD1 4.41Å; A501-L560 VanDerWaalsContact CB-CA 3.47Å; A501-L560 HydrophobicContact CB-CB 3.97Å; A501-L560 HydrophobicContact CB-CD1 3.99Å; P546-L560 HydrophobicContact CB-CD2 4.35Å; L547-L560 HydrophobicContact CD2-CD1 4.48Å; A550-L560 HydrophobicContact CB-CD2 3.92Å; A550-L560 HydrophobicContact CB-CG 4.13Å; H557-L560 HydrophobicContact CB-CB 3.77Å; H557-L560 HydrophobicContact CB-CD2 4.11Å; H557-L560 HydrophobicContact CB-CG 4.48Å; H557-L560 WeakPolarHBondContact O-CB 3.35Å; H557-L560 PolarHBondContact O-N 3.24Å; H557-L560 VanDerWaalsContact O-N 3.1Å; P558-L560 VanDerWaalsContact C-N 3.32Å; P558-L560 PolarHBondContact O-N 3.07Å; L560-L562 VanDerWaalsContact C-N 3.34Å; L560-L562 PolarHBondContact O-N 3.36Å; L560-F563 HydrophobicContact CD1-CD1 4.38Å; L560-F563 PolarHBondContact O-N 2.97Å; L560-L564 HydrophobicContact CD1-CD1 4.09Å; L560-L564 HydrophobicContact CD1-CD2 4.24Å; L560-L564 HydrophobicContact CD1-CG 3.94Å; L560-L564 HydrophobicContact CG-CD1 3.98Å; L560-L564 HydrophobicContact CG-CG 4.29Å; L560-L564 WeakPolarHBondContact O-CB 3.4Å; L560-L564 VanDerWaalsContact O-CG 3.25Å; L560-L564 WeakPolarHBondContact O-CG 3.41Å; L560-L564 PolarHBondContact O-N 2.63Å
561	H	95.3	Very high	95.3	Very high	20 Å²	20	17.8 Å²	17.8	9%	0.093	10%	0.098	C	C	.	.	H	α-helix	trans	-56.3	-47.5	174.1	179	31.7	0	0	0	111.8	P554 H557 L564 F625	P554-H561 HydrophobicContact CB-CB 4.1Å; H557-H561 PolarHBondContact O-N 3.23Å; H561-L564 PolarHBondContact O-N 2.85Å; H561-F625 AromaticContact CE1-CZ 3.91Å
562	L	93.6	Very high	95.3	Very high	32 Å²	32	18 Å²	18	17%	0.168	10%	0.099	C	C	.	.	H	α-helix	trans	-67.1	-35.8	178.7	-65.5	-178.6	0	0	0	113	Y253 C256 M261 P558 E559 L560 H566	Y253-L562 HydrophobicContact CD1-CB 4.25Å; C256-L562 HydrophobicContact CB-CD1 3.81Å; M261-L562 HydrophobicContact CE-CD1 4.41Å; M261-L562 HydrophobicContact CE-CD2 4.4Å; M261-L562 HydrophobicContact CE-CG 4.12Å; P558-L562 PolarHBondContact O-N 3.39Å; E559-L562 PolarHBondContact O-N 2.64Å; L560-L562 VanDerWaalsContact C-N 3.34Å; L560-L562 PolarHBondContact O-N 3.36Å; L562-H566 PolarHBondContact O-ND1 3.34Å
563	F	95.9	Very high	95.2	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-66.3	-42.5	176.4	-179.3	-120.1	0	0	0	111.8	L487 W497 L500 A501 A504 W516 E559 L560 E565 H566 V567	L487-F563 HydrophobicContact CD1-CE2 4.32Å; L487-F563 HydrophobicContact CD1-CZ 3.89Å; W497-F563 HydrophobicContact CZ3-CE1 4.3Å; L500-F563 HydrophobicContact CD2-CE1 3.98Å; L500-F563 HydrophobicContact CD2-CZ 4.19Å; L500-F563 HydrophobicContact CG-CE1 4.14Å; L500-F563 HydrophobicContact CG-CZ 4.22Å; A501-F563 HydrophobicContact CB-CB 3.88Å; A501-F563 HydrophobicContact CB-CD1 4.2Å; A501-F563 HydrophobicContact CB-CG 4.23Å; A504-F563 HydrophobicContact CB-CD2 3.64Å; A504-F563 HydrophobicContact CB-CE2 3.87Å; W516-F563 AromaticContact CD1-CE2 3.82Å; W516-F563 HydrophobicContact CG-CE2 4.2Å; E559-F563 WeakPolarHBondContact O-CB 3.44Å; E559-F563 PolarHBondContact O-N 3.06Å; L560-F563 HydrophobicContact CD1-CD1 4.38Å; L560-F563 PolarHBondContact O-N 2.97Å; F563-E565 VanDerWaalsContact C-N 3.29Å; F563-E565 PolarHBondContact O-N 3Å; F563-H566 WeakPolarHBondContact O-CA 3.42Å; F563-H566 WeakPolarHBondContact O-CB 3.3Å; F563-H566 PolarHBondContact O-N 2.76Å; F563-V567 HydrophobicContact CD1-CG2 3.97Å; F563-V567 HydrophobicContact CE1-CG2 3.64Å; F563-V567 HydrophobicContact CE2-CG2 4.26Å; F563-V567 HydrophobicContact CG-CG2 4.42Å; F563-V567 HydrophobicContact CZ-CG2 3.79Å; F563-V567 PolarHBondContact O-N 3.26Å
564	L	95.9	Very high	94.9	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.005	10%	0.095	C	C	.	.	H	α-helix	trans	-67.8	-20.1	-176.2	-68.8	174.6	0	0	0	114.8	W497 L547 L560 H561 H566 V567 F628	W497-L564 HydrophobicContact CH2-CD2 4.43Å; W497-L564 HydrophobicContact CZ3-CD2 3.94Å; L547-L564 HydrophobicContact CD2-CD1 3.72Å; L547-L564 HydrophobicContact CD2-CD2 3.75Å; L547-L564 HydrophobicContact CD2-CG 4.34Å; L560-L564 HydrophobicContact CD1-CD1 4.09Å; L560-L564 HydrophobicContact CD1-CD2 4.24Å; L560-L564 HydrophobicContact CD1-CG 3.94Å; L560-L564 HydrophobicContact CG-CD1 3.98Å; L560-L564 HydrophobicContact CG-CG 4.29Å; L560-L564 WeakPolarHBondContact O-CB 3.4Å; L560-L564 VanDerWaalsContact O-CG 3.25Å; L560-L564 WeakPolarHBondContact O-CG 3.41Å; L560-L564 PolarHBondContact O-N 2.63Å; H561-L564 PolarHBondContact O-N 2.85Å; L564-H566 PolarHBondContact O-N 3.13Å; L564-V567 HydrophobicContact CD2-CB 4.33Å; L564-V567 HydrophobicContact CD2-CG2 4.31Å; L564-V567 PolarHBondContact O-N 3Å; L564-F628 HydrophobicContact CB-CZ 4.2Å; L564-F628 HydrophobicContact CD1-CZ 4.46Å; L564-F628 HydrophobicContact CD2-CE1 4.21Å; L564-F628 HydrophobicContact CD2-CZ 3.85Å; L564-F628 HydrophobicContact CG-CZ 4.37Å
565	E	91.2	Very high	94.5	Very high	59 Å²	59	18.2 Å²	18.2	28%	0.276	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-3.8	170.3	-57	-53.7	119.6	0	0	113.1	F563 R620 H626	F563-E565 VanDerWaalsContact C-N 3.29Å; F563-E565 PolarHBondContact O-N 3Å; E565-R620 IonicContact OE1-CZ 2.91Å; E565-R620 IonicContact OE1-NH2 3.64Å; E565-R620 PolarHBondContact OE1-NH2 3.44Å; E565-H626 WeakPolarHBondContact OE2-CB 2.95Å; E565-H626 PolarHBondContact OE2-N 3.38Å; E565-H626 VanDerWaalsContact OE2-N 3.15Å
566	H	91.8	Very high	94.3	Very high	24 Å²	24	17.4 Å²	17.4	11%	0.111	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.8	3.2	175.5	-54.7	83.9	0	0	0	112.8	P252 Y253 H510 W516 L562 F563 L564	P252-H566 WeakPolarHBondContact CB-NE2 3.48Å; Y253-H566 AromaticContact CE1-CE1 3.93Å; Y253-H566 AromaticContact CE1-ND1 3.75Å; H510-H566 AromaticContact CD2-CD2 3.42Å; H510-H566 PolarHBondContact CD2-CD2 3.44Å; H510-H566 VanDerWaalsContact CD2-CD2 3.42Å; H510-H566 AromaticContact CD2-NE2 3.74Å; H510-H566 AromaticContact NE2-CD2 3.67Å; H510-H566 AromaticContact NE2-NE2 3.86Å; W516-H566 PolarHBondContact N-O 3.04Å; L562-H566 PolarHBondContact O-ND1 3.34Å; F563-H566 WeakPolarHBondContact O-CA 3.42Å; F563-H566 WeakPolarHBondContact O-CB 3.3Å; F563-H566 PolarHBondContact O-N 2.76Å; L564-H566 PolarHBondContact O-N 3.13Å
567	V	96	Very high	93.9	Very high	2 Å²	2	15.9 Å²	15.9	1%	0.012	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	122.5	173.9	175.6	0	0	0	0	109.1	W516 V518 F563 L564 H626 F628	W516-V567 HydrophobicContact CB-CG2 4.08Å; W516-V567 CarbonylContact O-C 3.53Å; W516-V567 WeakPolarHBondContact O-CA 3.4Å; V518-V567 HydrophobicContact CG2-CG1 3.98Å; V518-V567 HydrophobicContact CG2-CG2 4.44Å; F563-V567 HydrophobicContact CD1-CG2 3.97Å; F563-V567 HydrophobicContact CE1-CG2 3.64Å; F563-V567 HydrophobicContact CE2-CG2 4.26Å; F563-V567 HydrophobicContact CG-CG2 4.42Å; F563-V567 HydrophobicContact CZ-CG2 3.79Å; F563-V567 PolarHBondContact O-N 3.26Å; L564-V567 HydrophobicContact CD2-CB 4.33Å; L564-V567 HydrophobicContact CD2-CG2 4.31Å; L564-V567 PolarHBondContact O-N 3Å; V567-H626 PolarHBondContact O-ND1 3.13Å; V567-F628 HydrophobicContact CB-CE1 4.16Å; V567-F628 HydrophobicContact CG1-CD1 4.17Å; V567-F628 HydrophobicContact CG1-CE1 4.06Å; V567-F628 WeakPolarHBondContact O-CD1 3.5Å; V567-F628 WeakPolarHBondContact O-CE1 3.48Å
568	D	94.4	Very high	93.4	Very high	3 Å²	3	18.3 Å²	18.3	2%	0.016	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	-24.7	-174	-67	-0	0	0	0	112.7	R515 W516 L517 H626 F628 V629 G752	R515-D568 VanDerWaalsContact CB-OD2 3.27Å; R515-D568 WeakPolarHBondContact CB-OD2 3.41Å; R515-D568 WeakPolarHBondContact CD-OD1 3.47Å; R515-D568 WeakPolarHBondContact CD-OD2 3.41Å; R515-D568 WeakPolarHBondContact CG-OD2 3.42Å; R515-D568 IonicContact NH1-OD1 3.9Å; R515-D568 PolarHBondContact NH1-OD1 3.32Å; W516-D568 PolarHBondContact O-N 3.17Å; L517-D568 HydrophobicContact CD1-CB 4.26Å; D568-H626 IonicContact OD1-CE1 2.62Å; D568-F628 WeakPolarHBondContact O-CA 3.38Å; D568-V629 PolarHBondContact O-N 3Å; D568-G752 WeakPolarHBondContact OD2-CA 3.38Å
569	G	96.6	Very high	92.7	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.8	-179.4	-173.9	0	0	0	0	0	117	L517 V518 V629	L517-G569 WeakPolarHBondContact CA-O 3.31Å; V518-G569 PolarHBondContact N-O 3.47Å; G569-V629 CarbonylContact C-O 3.35Å; G569-V629 WeakPolarHBondContact CA-O 3.44Å
570	F	98.3	Very high	92.1	Very high	2 Å²	2	21.2 Å²	21.2	1%	0.009	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	147.8	176.7	-66	-85.9	0	0	0	112.1	W497 V518 F544 L547 T609 M613 F628 V629 L630 R631	W497-F570 HydrophobicContact CH2-CE1 4.42Å; W497-F570 HydrophobicContact CZ2-CE1 4.16Å; V518-F570 CarbonylContact O-C 3.59Å; V518-F570 VanDerWaalsContact O-CA 3.3Å; V518-F570 WeakPolarHBondContact O-CA 3.47Å; F544-F570 HydrophobicContact CE1-CE1 4.25Å; F544-F570 HydrophobicContact CE1-CE2 4.42Å; F544-F570 AromaticContact CE1-CZ 3.97Å; F544-F570 HydrophobicContact CE1-CZ 3.97Å; L547-F570 HydrophobicContact CD1-CE1 4.22Å; L547-F570 HydrophobicContact CD1-CZ 3.65Å; F570-T609 HydrophobicContact CB-CG2 4.34Å; F570-M613 HydrophobicContact CD2-CG 4.05Å; F570-M613 HydrophobicContact CD2-SD 3.87Å; F570-M613 HydrophobicContact CE2-CG 4.08Å; F570-M613 HydrophobicContact CE2-SD 4.48Å; F570-F628 HydrophobicContact CD2-CB 4.06Å; F570-F628 HydrophobicContact CE2-CB 3.86Å; F570-F628 AromaticContact CE2-CD2 3.94Å; F570-F628 HydrophobicContact CE2-CD2 3.94Å; F570-F628 AromaticContact CE2-CG 3.97Å; F570-F628 HydrophobicContact CE2-CG 3.97Å; F570-V629 PolarHBondContact N-O 3.46Å; F570-L630 HydrophobicContact CB-CD1 4.13Å; F570-R631 PolarHBondContact O-N 2.79Å
571	D	98.1	Very high	90.9	Very high	1 Å²	1	26 Å²	26	1%	0.005	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	155.7	169.6	-162.4	-30.8	0	0	0	109.3	R486 V518 Q519 V520 V573 R631 P632 H633	R486-D571 IonicContact CZ-OD2 3.81Å; R486-D571 IonicContact NE-OD2 3.72Å; R486-D571 PolarHBondContact NE-OD2 3.03Å; R486-D571 IonicContact NH2-OD2 2.79Å; R486-D571 PolarHBondContact NH2-OD2 2.64Å; V518-D571 PolarHBondContact O-N 2.69Å; Q519-D571 WeakPolarHBondContact CA-O 3.31Å; Q519-D571 HydrophobicContact CB-CB 4Å; V520-D571 PolarHBondContact N-O 3.38Å; D571-V573 HydrophobicContact CB-CG1 4.45Å; D571-R631 WeakPolarHBondContact CB-O 3.45Å; D571-P632 WeakPolarHBondContact OD1-CA 3.45Å; D571-H633 VanDerWaalsContact CG-ND1 3.26Å; D571-H633 IonicContact OD1-CE1 3.19Å; D571-H633 IonicContact OD1-CG 3.39Å; D571-H633 PolarHBondContact OD1-N 3.12Å; D571-H633 IonicContact OD1-ND1 3.35Å; D571-H633 PolarHBondContact OD1-ND1 2.71Å; D571-H633 IonicContact OD2-CE1 2.72Å; D571-H633 PolarHBondContact OD2-CE1 3.03Å; D571-H633 IonicContact OD2-ND1 3.12Å; D571-H633 PolarHBondContact OD2-ND1 2.85Å
572	S	95.6	Very high	89.9	Confident	3 Å²	3	29 Å²	29	2%	0.021	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	120.1	175.1	-176.1	0	0	0	0	108.5	V520 R522 H633	V520-S572 WeakPolarHBondContact O-CA 3.22Å; R522-S572 PolarHBondContact NH1-O 3.26Å; R522-S572 PolarHBondContact NH1-OG 3.14Å; S572-H633 PolarHBondContact O-N 3.23Å
573	V	93.7	Very high	89.2	Confident	11 Å²	11	29.8 Å²	29.8	7%	0.067	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	-179.4	-166.9	-53.7	0	0	0	0	112.6	Q519 V520 P521 R522 D571 H633	Q519-V573 HydrophobicContact CB-CG1 3.82Å; Q519-V573 HydrophobicContact CB-CG2 4.13Å; Q519-V573 HydrophobicContact CG-CG2 4.2Å; V520-V573 PolarHBondContact O-N 3.39Å; P521-V573 WeakPolarHBondContact CA-O 3.27Å; P521-V573 HydrophobicContact CB-CG2 3.94Å; P521-V573 HydrophobicContact CG-CG2 3.76Å; R522-V573 WeakPolarHBondContact CG-O 3.39Å; R522-V573 VanDerWaalsContact CZ-O 3.31Å; R522-V573 PolarHBondContact N-O 3.3Å; R522-V573 PolarHBondContact NE-O 3.11Å; D571-V573 HydrophobicContact CB-CG1 4.45Å; V573-H633 WeakPolarHBondContact CG1-CE1 3.13Å
574	D	89.2	Confident	88.9	Confident	28 Å²	28	30.6 Å²	30.6	15%	0.15	16%	0.162	C	C	.	.	S	Bend	trans	97.8	159.6	-168.9	-169.5	43.9	0	0	0	114.3	R522 L523 E576 K578	R522-D574 HydrophobicContact CB-CB 4.37Å; R522-D574 PolarHBondContact NH2-O 2.9Å; L523-D574 HydrophobicContact CD2-CB 4.32Å; L523-D574 WeakPolarHBondContact CD2-OD2 3.23Å; D574-E576 PolarHBondContact O-N 3.06Å; D574-K578 IonicContact OD1-NZ 2.66Å; D574-K578 WeakPolarHBondContact OD2-CE 3.42Å; D574-K578 IonicContact OD2-NZ 3.56Å; D574-K578 PolarHBondContact OD2-NZ 2.83Å
575	D	86.7	Confident	88.5	Confident	29 Å²	29	32.4 Å²	32.4	16%	0.155	17%	0.171	C	C	.	.			trans	-49.9	104.3	-173.4	-173.6	-3.1	0	0	0	113.5	F433 S577 K578	F433-D575 HydrophobicContact CB-CB 4.24Å; F433-D575 WeakPolarHBondContact CB-OD2 3.47Å; F433-D575 HydrophobicContact CD1-CB 3.56Å; F433-D575 HydrophobicContact CD2-CB 4.4Å; F433-D575 HydrophobicContact CE1-CB 3.95Å; F433-D575 HydrophobicContact CG-CB 3.81Å; D575-S577 PolarHBondContact O-N 3.44Å; D575-S577 WeakPolarHBondContact OD1-CA 3.35Å; D575-S577 VanDerWaalsContact OD1-CB 3.23Å; D575-S577 WeakPolarHBondContact OD1-CB 3.43Å; D575-S577 PolarHBondContact OD1-N 3.23Å; D575-S577 PolarHBondContact OD1-OG 3.27Å; D575-S577 PolarHBondContact OD2-OG 3.43Å; D575-K578 HydrophobicContact CB-CD 4.29Å; D575-K578 HydrophobicContact CB-CG 4.09Å; D575-K578 WeakPolarHBondContact O-CG 3.29Å
576	E	90.1	Very high	88.3	Confident	12 Å²	12	34.1 Å²	34.1	6%	0.056	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-13.5	178.8	-160.1	177.7	-155	0	0	112.7	D574 G635 E636 A637 G638 H642	D574-E576 PolarHBondContact O-N 3.06Å; E576-G635 VanDerWaalsContact CD-N 3.27Å; E576-G635 PolarHBondContact OE1-N 3.06Å; E576-G635 WeakPolarHBondContact OE2-CA 3.49Å; E576-G635 PolarHBondContact OE2-N 2.99Å; E576-E636 PolarHBondContact OE2-N 3.16Å; E576-A637 HydrophobicContact CB-CB 4.25Å; E576-A637 WeakPolarHBondContact CG-O 3.5Å; E576-A637 PolarHBondContact OE2-N 3.47Å; E576-G638 WeakPolarHBondContact O-CA 3.4Å; E576-G638 PolarHBondContact O-N 2.93Å; E576-H642 WeakPolarHBondContact CG-ND1 3.28Å; E576-H642 IonicContact OE1-CE1 2.69Å; E576-H642 IonicContact OE1-CG 2.74Å; E576-H642 IonicContact OE1-ND1 2.97Å; E576-H642 PolarHBondContact OE1-ND1 2.77Å
577	S	85.3	Confident	88.1	Confident	31 Å²	31	40 Å²	40	22%	0.217	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-7.5	-178.3	81.6	0	0	0	0	114.9	R86 D575	R86-S577 PolarHBondContact NH1-O 3.14Å; R86-S577 PolarHBondContact NH2-O 2.8Å; D575-S577 PolarHBondContact O-N 3.44Å; D575-S577 WeakPolarHBondContact OD1-CA 3.35Å; D575-S577 VanDerWaalsContact OD1-CB 3.23Å; D575-S577 WeakPolarHBondContact OD1-CB 3.43Å; D575-S577 PolarHBondContact OD1-N 3.23Å; D575-S577 PolarHBondContact OD1-OG 3.27Å; D575-S577 PolarHBondContact OD2-OG 3.43Å
578	K	85.7	Confident	87.9	Confident	73 Å²	73	40.9 Å²	40.9	32%	0.317	22%	0.216	S	C	.	.	S	Bend	trans	-56.8	143.3	171.6	-72.4	176.3	173.9	-178.2	0	110.9	D574 D575	D574-K578 IonicContact OD1-NZ 2.66Å; D574-K578 WeakPolarHBondContact OD2-CE 3.42Å; D574-K578 IonicContact OD2-NZ 3.56Å; D574-K578 PolarHBondContact OD2-NZ 2.83Å; D575-K578 HydrophobicContact CB-CD 4.29Å; D575-K578 HydrophobicContact CB-CG 4.09Å; D575-K578 WeakPolarHBondContact O-CG 3.29Å
579	P	80.9	Confident	87.9	Confident	84 Å²	84	43.6 Å²	43.6	55%	0.545	23%	0.233	S	C	.	.			trans	-71.1	144.5	173.7	30.9	-34.3	0	0	0	111.1
580	E	82.6	Confident	87.8	Confident	31 Å²	31	46.2 Å²	46.2	15%	0.145	25%	0.247	C	C	.	.			trans	-107.2	115.9	172.9	-54.6	-161.6	128	0	0	109.8	L80 H582 P601 Y602 H641 H642	L80-E580 WeakPolarHBondContact CD2-O 3.01Å; E580-H582 VanDerWaalsContact C-N 3.27Å; E580-H582 PolarHBondContact O-N 2.66Å; E580-P601 HydrophobicContact CB-CB 4.48Å; E580-P601 VanDerWaalsContact OE1-CA 3.28Å; E580-P601 WeakPolarHBondContact OE1-CA 3.47Å; E580-Y602 VanDerWaalsContact OE1-CB 3.31Å; E580-Y602 WeakPolarHBondContact OE1-CB 3.45Å; E580-Y602 PolarHBondContact OE1-N 3.14Å; E580-H641 IonicContact OE2-CD2 2.81Å; E580-H641 IonicContact OE2-CE1 3.81Å; E580-H641 IonicContact OE2-NE2 2.87Å; E580-H641 PolarHBondContact OE2-NE2 3.49Å; E580-H642 IonicContact OE1-NE2 3.16Å; E580-H642 PolarHBondContact OE1-NE2 3.19Å; E580-H642 IonicContact OE2-NE2 2.7Å
581	N	72.4	Confident	87.7	Confident	100 Å²	100	46.1 Å²	46.1	54%	0.535	25%	0.247	S	C	.	.			trans	-73.6	-16.7	-177.1	-65	-17.3	0	0	0	113.6	D598	N581-D598 PolarHBondContact ND2-OD2 3.09Å
582	H	74.2	Confident	87.6	Confident	82 Å²	82	50.2 Å²	50.2	38%	0.38	27%	0.266	S	S	.	.			trans	-133.3	135.5	-165.9	-64.8	101.7	0	0	0	112.7	E580 W594 D598 P601	E580-H582 VanDerWaalsContact C-N 3.27Å; E580-H582 PolarHBondContact O-N 2.66Å; H582-W594 HydrophobicContact CB-CH2 4.5Å; H582-D598 IonicContact CE1-OD2 2.79Å; H582-D598 PolarHBondContact CE1-OD2 3.23Å; H582-D598 VanDerWaalsContact CE1-OD2 3.29Å; H582-D598 IonicContact ND1-OD2 3.59Å; H582-P601 WeakPolarHBondContact O-CB 3.5Å; H582-P601 WeakPolarHBondContact O-CG 3.1Å
583	V	78.8	Confident	87.6	Confident	49 Å²	49	52.7 Å²	52.7	30%	0.297	29%	0.287	S	S	.	.			trans	-72.2	135.9	162.5	-163.2	0	0	0	0	108.6	F76 N585 S588	F76-V583 HydrophobicContact CB-CG2 4.12Å; F76-V583 HydrophobicContact CD1-CG2 3.24Å; F76-V583 HydrophobicContact CD2-CG2 3.87Å; F76-V583 HydrophobicContact CE1-CG2 3.41Å; F76-V583 VanDerWaalsContact CE1-CG2 3.41Å; F76-V583 HydrophobicContact CE2-CG2 4.04Å; F76-V583 HydrophobicContact CG-CG2 3.47Å; F76-V583 VanDerWaalsContact CG-CG2 3.47Å; F76-V583 HydrophobicContact CZ-CG2 3.82Å; V583-N585 HydrophobicContact CG1-CB 4.49Å; V583-N585 PolarHBondContact O-N 2.75Å; V583-S588 PolarHBondContact O-OG 3.26Å; V583-S588 VanDerWaalsContact O-OG 3.1Å
584	F	88.8	Confident	87.7	Confident	18 Å²	18	52.5 Å²	52.5	8%	0.079	29%	0.285	C	S	.	.			trans	-75.1	113	162.5	-175.2	-147.2	0	0	0	110.4	L298 F301 P601 A603 Y604 Y607 Y608	L298-F584 HydrophobicContact CD1-CE1 4.02Å; L298-F584 HydrophobicContact CD1-CE2 3.94Å; L298-F584 HydrophobicContact CD1-CZ 3.34Å; F301-F584 HydrophobicContact CD1-CD1 4.43Å; F301-F584 AromaticContact CD1-CE1 3.96Å; F301-F584 HydrophobicContact CD1-CE1 3.96Å; F301-F584 AromaticContact CE1-CD1 3.77Å; F301-F584 HydrophobicContact CE1-CD1 3.77Å; F301-F584 AromaticContact CE1-CE1 3.61Å; F301-F584 HydrophobicContact CE1-CE1 3.61Å; F584-P601 HydrophobicContact CB-CG 4.03Å; F584-A603 HydrophobicContact CB-CB 4.02Å; F584-A603 HydrophobicContact CD1-CB 4.06Å; F584-Y604 AromaticContact CD2-CD2 3.34Å; F584-Y604 HydrophobicContact CD2-CD2 3.34Å; F584-Y604 HydrophobicContact CD2-CE2 4.08Å; F584-Y604 HydrophobicContact CD2-CG 4.14Å; F584-Y604 AromaticContact CE2-CD2 3.38Å; F584-Y604 HydrophobicContact CE2-CD2 3.38Å; F584-Y604 AromaticContact CE2-CE2 3.82Å; F584-Y604 HydrophobicContact CE2-CE2 3.82Å; F584-Y604 HydrophobicContact CE2-CG 4.12Å; F584-Y604 HydrophobicContact CG-CD2 4.05Å; F584-Y604 HydrophobicContact CG-CG 4.47Å; F584-Y604 HydrophobicContact CZ-CD2 4.13Å; F584-Y604 HydrophobicContact CZ-CG 4.45Å; F584-Y607 AromaticContact CE1-CD1 3.95Å; F584-Y607 HydrophobicContact CE1-CD1 3.95Å; F584-Y607 HydrophobicContact CE1-CD2 4.5Å; F584-Y607 AromaticContact CE1-CG 3.73Å; F584-Y607 HydrophobicContact CE1-CG 3.73Å; F584-Y607 AromaticContact CZ-CD1 3.77Å; F584-Y607 HydrophobicContact CZ-CD1 3.77Å; F584-Y607 HydrophobicContact CZ-CE1 4.45Å; F584-Y607 HydrophobicContact CZ-CG 4.05Å; F584-Y608 HydrophobicContact CE2-CE2 4.32Å; F584-Y608 AromaticContact CZ-CE2 3.95Å; F584-Y608 HydrophobicContact CZ-CE2 3.95Å
585	N	88.1	Confident	87.9	Confident	39 Å²	39	54.1 Å²	54.1	21%	0.209	30%	0.296	C	S	.	.	S	Bend	trans	-147.3	-175	-176.7	66.3	18.4	0	0	0	110.7	V583 E587 S588	V583-N585 HydrophobicContact CG1-CB 4.49Å; V583-N585 PolarHBondContact O-N 2.75Å; N585-E587 PolarHBondContact O-N 3.29Å; N585-E587 WeakPolarHBondContact OD1-CA 3.49Å; N585-E587 PolarHBondContact OD1-N 3.37Å; N585-S588 PolarHBondContact N-OG 2.76Å; N585-S588 WeakPolarHBondContact O-CB 3.47Å; N585-S588 PolarHBondContact O-N 2.77Å; N585-S588 PolarHBondContact O-OG 2.85Å; N585-S588 PolarHBondContact OD1-N 3.1Å; N585-S588 PolarHBondContact OD1-OG 3.35Å; N585-S588 VanDerWaalsContact OD1-OG 3.09Å
586	L	87.9	Confident	88	Confident	95 Å²	95	58.9 Å²	58.9	50%	0.497	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-6.9	180	-69.9	167.1	0	0	0	114.8	L298 Q299 V302	L298-L586 HydrophobicContact CG-CD2 4.1Å; Q299-L586 HydrophobicContact CB-CD1 4.34Å; Q299-L586 HydrophobicContact CB-CD2 4.04Å; Q299-L586 HydrophobicContact CG-CD1 4.07Å; V302-L586 HydrophobicContact CB-CG 4.31Å; V302-L586 HydrophobicContact CG1-CG 4.24Å; V302-L586 HydrophobicContact CG2-CG 4.41Å
587	E	87.9	Confident	87.9	Confident	148 Å²	148	63.7 Å²	63.7	69%	0.692	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	-7.9	178.3	-64.1	159.9	-134.4	0	0	111	K69 N585	K69-E587 IonicContact NZ-OE1 3.78Å; K69-E587 PolarHBondContact NZ-OE1 3.05Å; N585-E587 PolarHBondContact O-N 3.29Å; N585-E587 WeakPolarHBondContact OD1-CA 3.49Å; N585-E587 PolarHBondContact OD1-N 3.37Å
588	S	91.7	Very high	88.1	Confident	20 Å²	20	65.2 Å²	65.2	14%	0.14	35%	0.345	C	S	.	.	S	Bend	trans	-64.5	140.5	174.4	-59.2	0	0	0	0	111.7	V583 N585	V583-S588 PolarHBondContact O-OG 3.26Å; V583-S588 VanDerWaalsContact O-OG 3.1Å; N585-S588 PolarHBondContact N-OG 2.76Å; N585-S588 WeakPolarHBondContact O-CB 3.47Å; N585-S588 PolarHBondContact O-N 2.77Å; N585-S588 PolarHBondContact O-OG 2.85Å; N585-S588 PolarHBondContact OD1-N 3.1Å; N585-S588 PolarHBondContact OD1-OG 3.35Å; N585-S588 VanDerWaalsContact OD1-OG 3.09Å
589	P	93.5	Very high	88.4	Confident	59 Å²	59	63.8 Å²	63.8	38%	0.383	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-54.7	140.3	175.1	-25.8	33.6	0	0	0	112.6	W594 Y604	P589-W594 HydrophobicContact CB-CB 4.35Å; P589-W594 HydrophobicContact CB-CD2 4.47Å; P589-W594 HydrophobicContact CB-CE3 3.92Å; P589-W594 HydrophobicContact CG-CE3 4.06Å; P589-W594 HydrophobicContact CG-CZ3 4.39Å; P589-Y604 VanDerWaalsContact O-CE2 3.28Å; P589-Y604 WeakPolarHBondContact O-CE2 3.19Å; P589-Y604 PolarHBondContact O-OH 3.24Å
590	L	95.2	Very high	89	Confident	56 Å²	56	60 Å²	60	29%	0.293	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-69.5	156.1	169.9	-63.5	173.7	0	0	0	110.2	R273 L298 E592 A593 W594 Y604	R273-L590 HydrophobicContact CB-CD1 4.37Å; R273-L590 HydrophobicContact CG-CD1 3.93Å; L298-L590 HydrophobicContact CD2-CD2 4.38Å; L590-E592 HydrophobicContact CB-CG 4.19Å; L590-E592 PolarHBondContact O-N 3.37Å; L590-E592 VanDerWaalsContact O-N 3.09Å; L590-A593 CarbonylContact O-C 3.57Å; L590-A593 WeakPolarHBondContact O-CA 3.09Å; L590-A593 PolarHBondContact O-N 3.48Å; L590-W594 PolarHBondContact O-N 3.13Å; L590-Y604 VanDerWaalsContact C-OH 3.27Å
591	P	96.4	Very high	89.6	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-32.1	-174	-34.8	41.8	0	0	0	115.2	F536 Q537 L540 A593 Y604 Y608	F536-P591 HydrophobicContact CB-CB 4.39Å; F536-P591 HydrophobicContact CD1-CB 4.07Å; F536-P591 HydrophobicContact CD1-CG 4.28Å; F536-P591 PolarHBondContact N-O 3.41Å; Q537-P591 HydrophobicContact CB-CB 3.9Å; Q537-P591 PolarHBondContact N-O 2.69Å; L540-P591 HydrophobicContact CD1-CB 3.9Å; L540-P591 HydrophobicContact CD1-CG 3.95Å; P591-A593 VanDerWaalsContact C-N 3.26Å; P591-A593 PolarHBondContact O-N 2.84Å; P591-Y604 WeakPolarHBondContact CA-OH 2.74Å; P591-Y604 VanDerWaalsContact CD-OH 3.27Å; P591-Y604 WeakPolarHBondContact CD-OH 3.4Å; P591-Y604 HydrophobicContact CG-CE1 4.03Å; P591-Y604 WeakPolarHBondContact CG-OH 3.36Å; P591-Y604 VanDerWaalsContact N-OH 3.11Å; P591-Y608 WeakPolarHBondContact CD-OH 3.25Å; P591-Y608 HydrophobicContact CG-CD1 3.97Å; P591-Y608 HydrophobicContact CG-CD2 4.04Å; P591-Y608 HydrophobicContact CG-CE1 3.63Å; P591-Y608 HydrophobicContact CG-CE2 3.72Å; P591-Y608 HydrophobicContact CG-CG 4.18Å
592	E	95.6	Very high	90.6	Very high	86 Å²	86	54 Å²	54	40%	0.402	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-25.5	174.3	60.4	-165.5	-160	0	0	113.5	R273 N535 Q537 L590	R273-E592 PolarHBondContact N-OE2 2.9Å; N535-E592 WeakPolarHBondContact ND2-CA 3.44Å; N535-E592 PolarHBondContact ND2-O 3.02Å; Q537-E592 HydrophobicContact CB-CB 4.46Å; L590-E592 HydrophobicContact CB-CG 4.19Å; L590-E592 PolarHBondContact O-N 3.37Å; L590-E592 VanDerWaalsContact O-N 3.09Å
593	A	95.2	Very high	91.6	Very high	56 Å²	56	50.5 Å²	50.5	46%	0.463	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107	-7.4	-178.7	0	0	0	0	0	113.9	L590 P591 V595	L590-A593 CarbonylContact O-C 3.57Å; L590-A593 WeakPolarHBondContact O-CA 3.09Å; L590-A593 PolarHBondContact O-N 3.48Å; P591-A593 VanDerWaalsContact C-N 3.26Å; P591-A593 PolarHBondContact O-N 2.84Å; A593-V595 VanDerWaalsContact C-N 3.28Å; A593-V595 PolarHBondContact O-N 3.03Å
594	W	94.9	Very high	92.4	Very high	7 Å²	7	48.1 Å²	48.1	3%	0.027	26%	0.256	C	S	.	.			trans	-76	83.1	173.1	-160.5	-63.7	0	0	0	109.7	F524 N535 F536 H582 P589 L590 D598 P600 Y604	F524-W594 AromaticContact CE1-CD1 3.71Å; N535-W594 VanDerWaalsContact CA-O 3.27Å; N535-W594 WeakPolarHBondContact CA-O 3.49Å; N535-W594 WeakPolarHBondContact CB-O 3.32Å; F536-W594 HydrophobicContact CB-CB 4Å; F536-W594 HydrophobicContact CB-CG 4.43Å; F536-W594 PolarHBondContact N-O 2.84Å; H582-W594 HydrophobicContact CB-CH2 4.5Å; P589-W594 HydrophobicContact CB-CB 4.35Å; P589-W594 HydrophobicContact CB-CD2 4.47Å; P589-W594 HydrophobicContact CB-CE3 3.92Å; P589-W594 HydrophobicContact CG-CE3 4.06Å; P589-W594 HydrophobicContact CG-CZ3 4.39Å; L590-W594 PolarHBondContact O-N 3.13Å; W594-D598 PolarHBondContact NE1-O 3.04Å; W594-P600 HydrophobicContact CD2-CB 4.49Å; W594-P600 HydrophobicContact CD2-CG 3.99Å; W594-P600 HydrophobicContact CG-CG 4.28Å; W594-P600 HydrophobicContact CH2-CB 4.32Å; W594-P600 HydrophobicContact CZ2-CB 4.13Å; W594-P600 HydrophobicContact CZ2-CG 4.09Å; W594-Y604 HydrophobicContact CE3-CD2 4.3Å; W594-Y604 AromaticContact CE3-CE2 3.6Å; W594-Y604 HydrophobicContact CE3-CE2 3.6Å; W594-Y604 AromaticContact CE3-CZ 3.74Å; W594-Y604 AromaticContact CZ3-CD2 3.99Å; W594-Y604 HydrophobicContact CZ3-CD2 3.99Å; W594-Y604 AromaticContact CZ3-CE2 3.67Å; W594-Y604 HydrophobicContact CZ3-CE2 3.67Å
595	V	93.1	Very high	92.8	Very high	62 Å²	62	47.5 Å²	47.5	38%	0.376	25%	0.253	S	S	.	.			trans	-106.7	-7.4	-177.6	-63.8	0	0	0	0	113.6	R528 N535 A593	R528-V595 VanDerWaalsContact CZ-O 3.24Å; R528-V595 PolarHBondContact NE-O 3.38Å; R528-V595 PolarHBondContact NH2-O 3.23Å; N535-V595 HydrophobicContact CB-CG1 4.04Å; A593-V595 VanDerWaalsContact C-N 3.28Å; A593-V595 PolarHBondContact O-N 3.03Å
596	E	89.2	Confident	93.3	Very high	128 Å²	128	45.6 Å²	45.6	60%	0.598	24%	0.243	S	C	*	.	S	Bend	trans	-68.3	159.9	177	-56.6	-52.8	140.6	0	0	111.8	D598	E596-D598 VanDerWaalsContact C-N 3.32Å
597	E	88.3	Confident	93.7	Very high	113 Å²	113	41.5 Å²	41.5	53%	0.528	22%	0.221	S	C	.	.	S	Bend	trans	-78.6	-15.5	176.4	-65.2	-170.8	-143.8	0	0	113.3	D525 R528 T529 N599	D525-E597 WeakPolarHBondContact CB-O 3.47Å; R528-E597 HydrophobicContact CG-CG 4.27Å; T529-E597 VanDerWaalsContact CB-OE2 3.26Å; T529-E597 WeakPolarHBondContact CB-OE2 3.47Å; T529-E597 VanDerWaalsContact CG2-OE2 3.28Å; T529-E597 WeakPolarHBondContact CG2-OE2 3.4Å; T529-E597 PolarHBondContact OG1-OE2 3.32Å; E597-N599 PolarHBondContact O-N 3.47Å
598	D	89.5	Confident	94.2	Very high	63 Å²	63	34.6 Å²	34.6	34%	0.337	19%	0.189	S	C	.	.	S	Bend	trans	-62.1	131.8	174.4	-102.6	31.3	0	0	0	111.5	N581 H582 W594 E596	N581-D598 PolarHBondContact ND2-OD2 3.09Å; H582-D598 IonicContact CE1-OD2 2.79Å; H582-D598 PolarHBondContact CE1-OD2 3.23Å; H582-D598 VanDerWaalsContact CE1-OD2 3.29Å; H582-D598 IonicContact ND1-OD2 3.59Å; W594-D598 PolarHBondContact NE1-O 3.04Å; E596-D598 VanDerWaalsContact C-N 3.32Å
599	N	91.9	Very high	94.5	Very high	43 Å²	43	34 Å²	34	23%	0.23	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-68.5	133.6	178.2	-155.8	12.3	0	0	0	110.7	R522 D525 E597 Y605	R522-N599 PolarHBondContact O-ND2 3.15Å; D525-N599 HydrophobicContact CB-CB 3.95Å; E597-N599 PolarHBondContact O-N 3.47Å; N599-Y605 WeakPolarHBondContact OD1-CE2 3.23Å; N599-Y605 PolarHBondContact OD1-OH 3.19Å
600	P	94.3	Very high	94.7	Very high	4 Å²	4	31.2 Å²	31.2	3%	0.026	17%	0.166	C	C	.	.	P	Polyproline II helix	trans	-59.1	146.3	171.3	-23	31.7	0	0	0	112.1	F524 F536 W594 Y604 Y605	F524-P600 HydrophobicContact CD1-CG 4.4Å; F536-P600 HydrophobicContact CD2-CG 3.7Å; F536-P600 HydrophobicContact CE2-CG 3.92Å; F536-P600 HydrophobicContact CG-CG 4.15Å; W594-P600 HydrophobicContact CD2-CB 4.49Å; W594-P600 HydrophobicContact CD2-CG 3.99Å; W594-P600 HydrophobicContact CG-CG 4.28Å; W594-P600 HydrophobicContact CH2-CB 4.32Å; W594-P600 HydrophobicContact CZ2-CB 4.13Å; W594-P600 HydrophobicContact CZ2-CG 4.09Å; P600-Y604 HydrophobicContact CB-CD1 3.75Å; P600-Y604 HydrophobicContact CB-CE1 4.29Å; P600-Y604 HydrophobicContact CB-CG 3.91Å; P600-Y604 HydrophobicContact CG-CD1 4.43Å; P600-Y605 HydrophobicContact CB-CD2 4.18Å; P600-Y605 HydrophobicContact CB-CE2 4Å; P600-Y605 HydrophobicContact CG-CE2 4.31Å; P600-Y605 WeakPolarHBondContact O-CD2 3.4Å; P600-Y605 WeakPolarHBondContact O-CE2 3.48Å
601	P	93.9	Very high	94.9	Very high	5 Å²	5	28.5 Å²	28.5	3%	0.032	15%	0.152	C	C	.	.	P	Polyproline II helix	trans	-68.1	156.6	178.4	28.3	-35.1	0	0	0	112	E580 H582 F584 A603 Y604 Y605	E580-P601 HydrophobicContact CB-CB 4.48Å; E580-P601 VanDerWaalsContact OE1-CA 3.28Å; E580-P601 WeakPolarHBondContact OE1-CA 3.47Å; H582-P601 WeakPolarHBondContact O-CB 3.5Å; H582-P601 WeakPolarHBondContact O-CG 3.1Å; F584-P601 HydrophobicContact CB-CG 4.03Å; P601-A603 VanDerWaalsContact C-N 3.25Å; P601-A603 PolarHBondContact O-N 3.43Å; P601-A603 VanDerWaalsContact O-N 3.14Å; P601-Y604 WeakPolarHBondContact O-CA 3.45Å; P601-Y604 WeakPolarHBondContact O-CB 3.38Å; P601-Y604 PolarHBondContact O-N 2.95Å; P601-Y605 PolarHBondContact O-N 3.33Å
602	Y	94.7	Very high	94.9	Very high	1 Å²	1	28.5 Å²	28.5	0%	0.004	15%	0.152	C	C	.	.	H	α-helix	trans	-48.9	-42	-178.3	178.9	-85.3	0	0	0	113.3	R522 E580 Y604 Y605 L606 H633 C634 H642	R522-Y602 VanDerWaalsContact NH1-CE2 3.32Å; E580-Y602 VanDerWaalsContact OE1-CB 3.31Å; E580-Y602 WeakPolarHBondContact OE1-CB 3.45Å; E580-Y602 PolarHBondContact OE1-N 3.14Å; Y602-Y604 VanDerWaalsContact C-N 3.29Å; Y602-Y604 PolarHBondContact O-N 3.27Å; Y602-Y605 PolarHBondContact O-N 3.23Å; Y602-L606 HydrophobicContact CD1-CD1 4.13Å; Y602-L606 HydrophobicContact CD1-CG 4.15Å; Y602-L606 HydrophobicContact CE1-CD1 3.33Å; Y602-L606 HydrophobicContact CE1-CG 3.74Å; Y602-L606 PolarHBondContact O-N 2.74Å; Y602-H633 WeakPolarHBondContact CE2-O 3.15Å; Y602-H633 PolarHBondContact OH-O 2.85Å; Y602-C634 WeakPolarHBondContact OH-CB 3.26Å; Y602-C634 PolarHBondContact OH-SG 2.94Å; Y602-H642 WeakPolarHBondContact CB-NE2 3.45Å; Y602-H642 HydrophobicContact CD1-CB 3.69Å; Y602-H642 AromaticContact CD1-CD2 3.72Å; Y602-H642 AromaticContact CD1-CG 3.55Å; Y602-H642 AromaticContact CD2-CE1 3.87Å; Y602-H642 AromaticContact CD2-ND1 3.66Å; Y602-H642 HydrophobicContact CE1-CB 3.61Å; Y602-H642 AromaticContact CE1-CG 3.95Å; Y602-H642 HydrophobicContact CG-CB 4.22Å; Y602-H642 AromaticContact CG-CD2 3.68Å; Y602-H642 AromaticContact CG-CE1 3.77Å; Y602-H642 AromaticContact CG-CG 3.61Å; Y602-H642 AromaticContact CG-ND1 3.67Å; Y602-H642 AromaticContact CG-NE2 3.8Å
603	A	94.9	Very high	95.1	Very high	8 Å²	8	24.4 Å²	24.4	7%	0.066	13%	0.133	C	C	.	.	H	α-helix	trans	-63.4	-33	177.3	0	0	0	0	0	113.1	F584 P601 Y607 S645	F584-A603 HydrophobicContact CB-CB 4.02Å; F584-A603 HydrophobicContact CD1-CB 4.06Å; P601-A603 VanDerWaalsContact C-N 3.25Å; P601-A603 PolarHBondContact O-N 3.43Å; P601-A603 VanDerWaalsContact O-N 3.14Å; A603-Y607 VanDerWaalsContact O-CB 3.3Å; A603-Y607 WeakPolarHBondContact O-CB 3.45Å; A603-Y607 PolarHBondContact O-N 3.45Å; A603-S645 WeakPolarHBondContact CB-OG 3.42Å
604	Y	96.1	Very high	95.1	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-67.9	-50	175.9	-163.8	-74.7	0	0	0	110.1	F536 F584 P589 L590 P591 W594 P600 P601 Y602 L606 Y607 Y608	F536-Y604 HydrophobicContact CD1-CD1 4.15Å; F536-Y604 AromaticContact CD1-CE1 3.55Å; F536-Y604 HydrophobicContact CD1-CE1 3.55Å; F536-Y604 AromaticContact CE1-CD1 3.85Å; F536-Y604 HydrophobicContact CE1-CD1 3.85Å; F536-Y604 AromaticContact CE1-CE1 3.71Å; F536-Y604 HydrophobicContact CE1-CE1 3.71Å; F536-Y604 HydrophobicContact CG-CE1 4.29Å; F536-Y604 HydrophobicContact CZ-CD1 4.41Å; F584-Y604 AromaticContact CD2-CD2 3.34Å; F584-Y604 HydrophobicContact CD2-CD2 3.34Å; F584-Y604 HydrophobicContact CD2-CE2 4.08Å; F584-Y604 HydrophobicContact CD2-CG 4.14Å; F584-Y604 AromaticContact CE2-CD2 3.38Å; F584-Y604 HydrophobicContact CE2-CD2 3.38Å; F584-Y604 AromaticContact CE2-CE2 3.82Å; F584-Y604 HydrophobicContact CE2-CE2 3.82Å; F584-Y604 HydrophobicContact CE2-CG 4.12Å; F584-Y604 HydrophobicContact CG-CD2 4.05Å; F584-Y604 HydrophobicContact CG-CG 4.47Å; F584-Y604 HydrophobicContact CZ-CD2 4.13Å; F584-Y604 HydrophobicContact CZ-CG 4.45Å; P589-Y604 VanDerWaalsContact O-CE2 3.28Å; P589-Y604 WeakPolarHBondContact O-CE2 3.19Å; P589-Y604 PolarHBondContact O-OH 3.24Å; L590-Y604 VanDerWaalsContact C-OH 3.27Å; P591-Y604 WeakPolarHBondContact CA-OH 2.74Å; P591-Y604 VanDerWaalsContact CD-OH 3.27Å; P591-Y604 WeakPolarHBondContact CD-OH 3.4Å; P591-Y604 HydrophobicContact CG-CE1 4.03Å; P591-Y604 WeakPolarHBondContact CG-OH 3.36Å; P591-Y604 VanDerWaalsContact N-OH 3.11Å; W594-Y604 HydrophobicContact CE3-CD2 4.3Å; W594-Y604 AromaticContact CE3-CE2 3.6Å; W594-Y604 HydrophobicContact CE3-CE2 3.6Å; W594-Y604 AromaticContact CE3-CZ 3.74Å; W594-Y604 AromaticContact CZ3-CD2 3.99Å; W594-Y604 HydrophobicContact CZ3-CD2 3.99Å; W594-Y604 AromaticContact CZ3-CE2 3.67Å; W594-Y604 HydrophobicContact CZ3-CE2 3.67Å; P600-Y604 HydrophobicContact CB-CD1 3.75Å; P600-Y604 HydrophobicContact CB-CE1 4.29Å; P600-Y604 HydrophobicContact CB-CG 3.91Å; P600-Y604 HydrophobicContact CG-CD1 4.43Å; P601-Y604 WeakPolarHBondContact O-CA 3.45Å; P601-Y604 WeakPolarHBondContact O-CB 3.38Å; P601-Y604 PolarHBondContact O-N 2.95Å; Y602-Y604 VanDerWaalsContact C-N 3.29Å; Y602-Y604 PolarHBondContact O-N 3.27Å; Y604-L606 PolarHBondContact O-N 3.44Å; Y604-Y607 PolarHBondContact O-N 3.16Å; Y604-Y608 AromaticContact CD1-CD2 3.51Å; Y604-Y608 HydrophobicContact CD1-CD2 3.51Å; Y604-Y608 AromaticContact CD1-CE2 3.68Å; Y604-Y608 HydrophobicContact CD1-CE2 3.68Å; Y604-Y608 HydrophobicContact CD2-CE2 4.23Å; Y604-Y608 AromaticContact CE1-CD2 3.49Å; Y604-Y608 HydrophobicContact CE1-CD2 3.49Å; Y604-Y608 VanDerWaalsContact CE1-CD2 3.49Å; Y604-Y608 AromaticContact CE1-CE2 3.39Å; Y604-Y608 HydrophobicContact CE1-CE2 3.39Å; Y604-Y608 AromaticContact CE2-CE2 3.97Å; Y604-Y608 HydrophobicContact CE2-CE2 3.97Å; Y604-Y608 HydrophobicContact CG-CD2 4.18Å; Y604-Y608 HydrophobicContact CG-CE2 4.08Å; Y604-Y608 AromaticContact CZ-CE2 3.55Å; Y604-Y608 WeakPolarHBondContact O-CD2 3.28Å; Y604-Y608 PolarHBondContact O-N 3.47Å; Y604-Y608 VanDerWaalsContact O-N 3.13Å
605	Y	96.7	Very high	95.2	Very high	4 Å²	4	21.4 Å²	21.4	2%	0.016	11%	0.11	C	C	.	.	H	α-helix	trans	-55.4	-50.2	174.3	-85.5	-88.6	0	0	0	111.8	R522 L523 F524 F536 M539 N599 P600 P601 Y602 T609	R522-Y605 VanDerWaalsContact C-OH 3.25Å; R522-Y605 WeakPolarHBondContact CA-OH 3.47Å; R522-Y605 HydrophobicContact CB-CD2 4.3Å; R522-Y605 HydrophobicContact CB-CE1 4.11Å; R522-Y605 HydrophobicContact CB-CE2 3.88Å; R522-Y605 HydrophobicContact CG-CD1 3.94Å; R522-Y605 HydrophobicContact CG-CD2 3.94Å; R522-Y605 HydrophobicContact CG-CE1 4.03Å; R522-Y605 HydrophobicContact CG-CE2 4.02Å; R522-Y605 HydrophobicContact CG-CG 3.88Å; L523-Y605 PolarHBondContact N-OH 3.35Å; F524-Y605 WeakPolarHBondContact CB-OH 3.37Å; F524-Y605 PolarHBondContact N-OH 3.38Å; F524-Y605 VanDerWaalsContact N-OH 3.14Å; F536-Y605 HydrophobicContact CE2-CD1 4.03Å; F536-Y605 AromaticContact CE2-CE1 3.55Å; F536-Y605 HydrophobicContact CE2-CE1 3.55Å; F536-Y605 HydrophobicContact CE2-CE2 4.28Å; F536-Y605 AromaticContact CE2-CZ 3.72Å; F536-Y605 AromaticContact CZ-CD1 3.73Å; F536-Y605 HydrophobicContact CZ-CD1 3.73Å; F536-Y605 AromaticContact CZ-CE1 3.77Å; F536-Y605 HydrophobicContact CZ-CE1 3.77Å; F536-Y605 HydrophobicContact CZ-CG 4.17Å; M539-Y605 HydrophobicContact CE-CE1 4.13Å; M539-Y605 HydrophobicContact SD-CE1 4.27Å; N599-Y605 WeakPolarHBondContact OD1-CE2 3.23Å; N599-Y605 PolarHBondContact OD1-OH 3.19Å; P600-Y605 HydrophobicContact CB-CD2 4.18Å; P600-Y605 HydrophobicContact CB-CE2 4Å; P600-Y605 HydrophobicContact CG-CE2 4.31Å; P600-Y605 WeakPolarHBondContact O-CD2 3.4Å; P600-Y605 WeakPolarHBondContact O-CE2 3.48Å; P601-Y605 PolarHBondContact O-N 3.33Å; Y602-Y605 PolarHBondContact O-N 3.23Å; Y605-T609 WeakPolarHBondContact O-CB 3.46Å; Y605-T609 PolarHBondContact O-N 3.35Å; Y605-T609 PolarHBondContact O-OG1 2.87Å
606	L	97.3	Very high	95.4	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-64.5	-42.1	180	-69.9	-159.4	0	0	0	112.6	Y602 Y604 T609 F610 P632 A646 L649	Y602-L606 HydrophobicContact CD1-CD1 4.13Å; Y602-L606 HydrophobicContact CD1-CG 4.15Å; Y602-L606 HydrophobicContact CE1-CD1 3.33Å; Y602-L606 HydrophobicContact CE1-CG 3.74Å; Y602-L606 PolarHBondContact O-N 2.74Å; Y604-L606 PolarHBondContact O-N 3.44Å; L606-T609 PolarHBondContact O-N 3.01Å; L606-F610 WeakPolarHBondContact O-CB 3.31Å; L606-F610 PolarHBondContact O-N 3.3Å; L606-P632 HydrophobicContact CD1-CG 4.15Å; L606-P632 HydrophobicContact CD2-CB 3.88Å; L606-P632 HydrophobicContact CD2-CG 4.23Å; L606-A646 HydrophobicContact CD1-CB 4.44Å; L606-L649 HydrophobicContact CB-CD1 3.94Å
607	Y	97.8	Very high	95.8	Very high	8 Å²	8	12.4 Å²	12.4	3%	0.031	6%	0.063	C	C	.	.	H	α-helix	trans	-61.1	-52.8	180	170.5	-94.5	0	0	0	112.3	P296 L298 F301 F584 A603 Y604 T609 F610 A611	P296-Y607 HydrophobicContact CB-CE2 4.39Å; P296-Y607 HydrophobicContact CG-CE2 3.97Å; P296-Y607 PolarHBondContact O-OH 2.83Å; L298-Y607 WeakPolarHBondContact CA-OH 3.47Å; L298-Y607 WeakPolarHBondContact CB-OH 3.38Å; L298-Y607 HydrophobicContact CD1-CD1 4.26Å; L298-Y607 HydrophobicContact CD1-CE1 3.89Å; L298-Y607 HydrophobicContact CD1-CE2 4.26Å; L298-Y607 PolarHBondContact N-OH 3.32Å; F301-Y607 HydrophobicContact CB-CD2 3.9Å; F301-Y607 HydrophobicContact CB-CE2 3.76Å; F301-Y607 AromaticContact CD1-CD2 3.52Å; F301-Y607 HydrophobicContact CD1-CD2 3.52Å; F301-Y607 HydrophobicContact CD1-CE2 4.16Å; F301-Y607 HydrophobicContact CD1-CG 4.11Å; F301-Y607 AromaticContact CD2-CD2 3.89Å; F301-Y607 HydrophobicContact CD2-CD2 3.89Å; F301-Y607 HydrophobicContact CE1-CD2 4.01Å; F301-Y607 HydrophobicContact CE1-CG 4.25Å; F301-Y607 HydrophobicContact CE2-CD2 4.34Å; F301-Y607 AromaticContact CG-CD2 3.46Å; F301-Y607 HydrophobicContact CG-CD2 3.46Å; F301-Y607 VanDerWaalsContact CG-CD2 3.46Å; F301-Y607 AromaticContact CG-CE2 3.89Å; F301-Y607 HydrophobicContact CG-CE2 3.89Å; F301-Y607 HydrophobicContact CG-CG 4.45Å; F301-Y607 HydrophobicContact CZ-CD2 4.38Å; F584-Y607 AromaticContact CE1-CD1 3.95Å; F584-Y607 HydrophobicContact CE1-CD1 3.95Å; F584-Y607 HydrophobicContact CE1-CD2 4.5Å; F584-Y607 AromaticContact CE1-CG 3.73Å; F584-Y607 HydrophobicContact CE1-CG 3.73Å; F584-Y607 AromaticContact CZ-CD1 3.77Å; F584-Y607 HydrophobicContact CZ-CD1 3.77Å; F584-Y607 HydrophobicContact CZ-CE1 4.45Å; F584-Y607 HydrophobicContact CZ-CG 4.05Å; A603-Y607 VanDerWaalsContact O-CB 3.3Å; A603-Y607 WeakPolarHBondContact O-CB 3.45Å; A603-Y607 PolarHBondContact O-N 3.45Å; Y604-Y607 PolarHBondContact O-N 3.16Å; Y607-T609 VanDerWaalsContact C-N 3.32Å; Y607-T609 PolarHBondContact O-N 2.91Å; Y607-F610 PolarHBondContact O-N 2.96Å; Y607-A611 WeakPolarHBondContact O-CB 2.99Å; Y607-A611 PolarHBondContact O-N 3.18Å
608	Y	98	Very high	96.1	Very high	4 Å²	4	8.3 Å²	8.3	2%	0.016	4%	0.044	C	C	.	.	H	α-helix	trans	-69.8	-31	-179.3	-71.4	-73.9	0	0	0	112.2	R273 V275 L540 F584 P591 Y604 N612	R273-Y608 WeakPolarHBondContact O-CE1 3.32Å; V275-Y608 HydrophobicContact CG2-CD1 4.28Å; V275-Y608 HydrophobicContact CG2-CE1 4.43Å; L540-Y608 HydrophobicContact CD1-CD1 4.2Å; L540-Y608 HydrophobicContact CD1-CG 3.97Å; F584-Y608 HydrophobicContact CE2-CE2 4.32Å; F584-Y608 AromaticContact CZ-CE2 3.95Å; F584-Y608 HydrophobicContact CZ-CE2 3.95Å; P591-Y608 WeakPolarHBondContact CD-OH 3.25Å; P591-Y608 HydrophobicContact CG-CD1 3.97Å; P591-Y608 HydrophobicContact CG-CD2 4.04Å; P591-Y608 HydrophobicContact CG-CE1 3.63Å; P591-Y608 HydrophobicContact CG-CE2 3.72Å; P591-Y608 HydrophobicContact CG-CG 4.18Å; Y604-Y608 AromaticContact CD1-CD2 3.51Å; Y604-Y608 HydrophobicContact CD1-CD2 3.51Å; Y604-Y608 AromaticContact CD1-CE2 3.68Å; Y604-Y608 HydrophobicContact CD1-CE2 3.68Å; Y604-Y608 HydrophobicContact CD2-CE2 4.23Å; Y604-Y608 AromaticContact CE1-CD2 3.49Å; Y604-Y608 HydrophobicContact CE1-CD2 3.49Å; Y604-Y608 VanDerWaalsContact CE1-CD2 3.49Å; Y604-Y608 AromaticContact CE1-CE2 3.39Å; Y604-Y608 HydrophobicContact CE1-CE2 3.39Å; Y604-Y608 AromaticContact CE2-CE2 3.97Å; Y604-Y608 HydrophobicContact CE2-CE2 3.97Å; Y604-Y608 HydrophobicContact CG-CD2 4.18Å; Y604-Y608 HydrophobicContact CG-CE2 4.08Å; Y604-Y608 AromaticContact CZ-CE2 3.55Å; Y604-Y608 WeakPolarHBondContact O-CD2 3.28Å; Y604-Y608 PolarHBondContact O-N 3.47Å; Y604-Y608 VanDerWaalsContact O-N 3.13Å; Y608-N612 PolarHBondContact O-N 3.36Å; Y608-N612 PolarHBondContact O-ND2 3.28Å
609	T	98.1	Very high	96.4	Very high	7 Å²	7	5.3 Å²	5.3	4%	0.043	3%	0.028	C	C	.	.	H	α-helix	trans	-61	-50.5	170.5	-60.3	0	0	0	0	110.7	F544 F570 Y605 L606 Y607 M613 L630	F544-T609 HydrophobicContact CZ-CG2 4.13Å; F570-T609 HydrophobicContact CB-CG2 4.34Å; Y605-T609 WeakPolarHBondContact O-CB 3.46Å; Y605-T609 PolarHBondContact O-N 3.35Å; Y605-T609 PolarHBondContact O-OG1 2.87Å; L606-T609 PolarHBondContact O-N 3.01Å; Y607-T609 VanDerWaalsContact C-N 3.32Å; Y607-T609 PolarHBondContact O-N 2.91Å; T609-M613 VanDerWaalsContact O-CB 3.25Å; T609-M613 WeakPolarHBondContact O-CB 3.42Å; T609-M613 PolarHBondContact O-N 3.31Å; T609-L630 HydrophobicContact CG2-CD1 4Å
610	F	98.3	Very high	96.5	Very high	0 Å²	0	3.3 Å²	3.3	0%	0	2%	0.017	C	C	.	.	H	α-helix	trans	-66.3	-42.2	-178.5	176.8	-82.2	0	0	0	112.9	Y200 S204 P296 L606 Y607 M613 A614 L630 L649	Y200-F610 AromaticContact CD1-CE1 3.87Å; Y200-F610 HydrophobicContact CD1-CE1 3.87Å; Y200-F610 AromaticContact CD1-CZ 3.86Å; Y200-F610 HydrophobicContact CD1-CZ 3.86Å; Y200-F610 HydrophobicContact CG-CZ 4.37Å; Y200-F610 WeakPolarHBondContact O-CZ 3.41Å; S204-F610 VanDerWaalsContact CB-CE2 3.46Å; S204-F610 VanDerWaalsContact OG-CE2 3.32Å; S204-F610 WeakPolarHBondContact OG-CE2 3.21Å; P296-F610 HydrophobicContact CB-CE1 4.41Å; P296-F610 HydrophobicContact CG-CD1 3.73Å; P296-F610 HydrophobicContact CG-CE1 3.72Å; L606-F610 WeakPolarHBondContact O-CB 3.31Å; L606-F610 PolarHBondContact O-N 3.3Å; Y607-F610 PolarHBondContact O-N 2.96Å; F610-M613 HydrophobicContact CD2-CE 4.33Å; F610-M613 PolarHBondContact O-N 3.39Å; F610-A614 WeakPolarHBondContact O-CB 3.44Å; F610-A614 PolarHBondContact O-N 2.62Å; F610-L630 HydrophobicContact CB-CD2 4.07Å; F610-L630 HydrophobicContact CD2-CD2 4.21Å; F610-L649 HydrophobicContact CB-CB 4.37Å; F610-L649 HydrophobicContact CB-CD1 4.1Å; F610-L649 HydrophobicContact CB-CD2 4.37Å; F610-L649 HydrophobicContact CD1-CD2 3.84Å; F610-L649 HydrophobicContact CD2-CB 3.65Å; F610-L649 HydrophobicContact CD2-CD2 3.83Å; F610-L649 HydrophobicContact CD2-CG 4.23Å; F610-L649 WeakPolarHBondContact CD2-O 3.47Å; F610-L649 HydrophobicContact CE1-CD2 3.95Å; F610-L649 HydrophobicContact CE2-CB 4.09Å; F610-L649 HydrophobicContact CE2-CD2 3.89Å; F610-L649 VanDerWaalsContact CE2-O 3.28Å; F610-L649 WeakPolarHBondContact CE2-O 3.44Å; F610-L649 HydrophobicContact CG-CB 4.14Å; F610-L649 HydrophobicContact CG-CD1 4.38Å; F610-L649 HydrophobicContact CG-CD2 3.76Å; F610-L649 HydrophobicContact CG-CG 4.3Å; F610-L649 HydrophobicContact CZ-CD2 3.95Å
611	A	97.8	Very high	96.5	Very high	0 Å²	0	9 Å²	9	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-63.6	-45.5	-177.8	0	0	0	0	0	111.6	V275 Y295 P296 Y607 A614 M615	V275-A611 HydrophobicContact CG2-CB 4.2Å; Y295-A611 HydrophobicContact CD2-CB 4.48Å; P296-A611 HydrophobicContact CG-CB 4.21Å; Y607-A611 WeakPolarHBondContact O-CB 2.99Å; Y607-A611 PolarHBondContact O-N 3.18Å; A611-A614 PolarHBondContact O-N 3.16Å; A611-M615 PolarHBondContact O-N 2.8Å
612	N	98.3	Very high	96.3	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-66.3	-42.2	174.2	-72.7	-70.9	0	0	0	111.9	G274 V275 V276 F544 Y608 A614 M615 L616	G274-N612 PolarHBondContact O-ND2 2.79Å; V275-N612 WeakPolarHBondContact CA-OD1 3.48Å; V276-N612 WeakPolarHBondContact CG2-OD1 3.48Å; V276-N612 PolarHBondContact N-OD1 2.85Å; F544-N612 HydrophobicContact CB-CB 4.22Å; F544-N612 HydrophobicContact CD1-CB 3.56Å; F544-N612 HydrophobicContact CD2-CB 3.61Å; F544-N612 HydrophobicContact CE1-CB 3.76Å; F544-N612 HydrophobicContact CE2-CB 3.81Å; F544-N612 HydrophobicContact CG-CB 3.5Å; F544-N612 VanDerWaalsContact CG-CB 3.5Å; F544-N612 HydrophobicContact CZ-CB 3.89Å; Y608-N612 PolarHBondContact O-N 3.36Å; Y608-N612 PolarHBondContact O-ND2 3.28Å; N612-A614 VanDerWaalsContact C-N 3.32Å; N612-A614 PolarHBondContact O-N 3.39Å; N612-M615 PolarHBondContact O-N 3.2Å; N612-L616 WeakPolarHBondContact O-CB 3.37Å; N612-L616 PolarHBondContact O-N 3.4Å
613	M	98	Very high	96.2	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-59	-40.9	174.9	-173.7	-171.9	79.6	0	0	112.1	Q206 F570 T609 F610 L616 N617 F628 V629 L630	Q206-M613 HydrophobicContact CG-CE 4.36Å; F570-M613 HydrophobicContact CD2-CG 4.05Å; F570-M613 HydrophobicContact CD2-SD 3.87Å; F570-M613 HydrophobicContact CE2-CG 4.08Å; F570-M613 HydrophobicContact CE2-SD 4.48Å; T609-M613 VanDerWaalsContact O-CB 3.25Å; T609-M613 WeakPolarHBondContact O-CB 3.42Å; T609-M613 PolarHBondContact O-N 3.31Å; F610-M613 HydrophobicContact CD2-CE 4.33Å; F610-M613 PolarHBondContact O-N 3.39Å; M613-L616 PolarHBondContact O-N 2.95Å; M613-N617 VanDerWaalsContact O-CB 3.25Å; M613-N617 WeakPolarHBondContact O-CB 3.23Å; M613-N617 PolarHBondContact O-N 2.91Å; M613-F628 HydrophobicContact CG-CB 4.18Å; M613-F628 HydrophobicContact SD-CB 4.3Å; M613-V629 VanDerWaalsContact SD-C 3.59Å; M613-L630 HydrophobicContact CE-CB 3.87Å; M613-L630 HydrophobicContact SD-CB 3.99Å
614	A	96.8	Very high	96	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-62.5	-52.9	178.6	0	0	0	0	0	111.7	F610 A611 N612 L616 N617 H618	F610-A614 WeakPolarHBondContact O-CB 3.44Å; F610-A614 PolarHBondContact O-N 2.62Å; A611-A614 PolarHBondContact O-N 3.16Å; N612-A614 VanDerWaalsContact C-N 3.32Å; N612-A614 PolarHBondContact O-N 3.39Å; A614-L616 VanDerWaalsContact C-N 3.32Å; A614-L616 PolarHBondContact O-N 3.38Å; A614-N617 PolarHBondContact O-N 3.29Å; A614-H618 PolarHBondContact O-CD2 2.8Å; A614-H618 PolarHBondContact O-N 2.88Å
615	M	96.2	Very high	95.9	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-60.5	-42.7	177.7	-63.4	-176.4	76.6	0	0	111.8	V275 V276 L293 Y295 F548 A611 N612 N617 H618 L619	V275-M615 HydrophobicContact CG1-SD 3.34Å; V275-M615 WeakPolarHBondContact CG1-SD 3.18Å; V276-M615 VanDerWaalsContact O-CE 3.26Å; V276-M615 WeakPolarHBondContact O-CE 3.22Å; V276-M615 VanDerWaalsContact O-SD 3.37Å; L293-M615 HydrophobicContact CB-CB 4.38Å; L293-M615 HydrophobicContact CB-CE 4.07Å; L293-M615 HydrophobicContact CB-CG 4.37Å; L293-M615 HydrophobicContact CD1-CB 4.49Å; Y295-M615 HydrophobicContact CD1-CE 4.03Å; Y295-M615 HydrophobicContact CD1-CG 3.92Å; Y295-M615 HydrophobicContact CD1-SD 3.49Å; Y295-M615 WeakPolarHBondContact CD1-SD 3.17Å; Y295-M615 HydrophobicContact CE1-CE 4.3Å; Y295-M615 HydrophobicContact CE1-SD 4.03Å; Y295-M615 HydrophobicContact CG-CG 4.03Å; Y295-M615 HydrophobicContact CG-SD 3.85Å; F548-M615 HydrophobicContact CE1-CB 4.3Å; F548-M615 HydrophobicContact CZ-CB 3.96Å; A611-M615 PolarHBondContact O-N 2.8Å; N612-M615 PolarHBondContact O-N 3.2Å; M615-N617 VanDerWaalsContact C-N 3.34Å; M615-N617 PolarHBondContact O-N 2.99Å; M615-H618 PolarHBondContact O-N 3.36Å; M615-L619 PolarHBondContact O-N 3.29Å
616	L	97.4	Very high	95.6	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-60.6	-43.1	176.2	-177.7	58.7	0	0	0	111.4	L547 F548 N612 M613 A614 L619 R620 F628	L547-L616 HydrophobicContact CB-CD1 4.34Å; L547-L616 HydrophobicContact CB-CD2 3.69Å; L547-L616 HydrophobicContact CD1-CD2 3.88Å; L547-L616 HydrophobicContact CG-CD2 4.47Å; F548-L616 HydrophobicContact CD1-CD1 4.13Å; F548-L616 HydrophobicContact CD2-CB 4.46Å; F548-L616 HydrophobicContact CD2-CD1 4.01Å; F548-L616 HydrophobicContact CE1-CB 4.19Å; F548-L616 HydrophobicContact CE1-CD1 4.3Å; F548-L616 HydrophobicContact CE2-CB 3.78Å; F548-L616 HydrophobicContact CE2-CD1 4.18Å; F548-L616 HydrophobicContact CE2-CG 4.39Å; F548-L616 HydrophobicContact CG-CD1 3.99Å; F548-L616 HydrophobicContact CZ-CB 3.63Å; F548-L616 HydrophobicContact CZ-CD1 4.33Å; N612-L616 WeakPolarHBondContact O-CB 3.37Å; N612-L616 PolarHBondContact O-N 3.4Å; M613-L616 PolarHBondContact O-N 2.95Å; A614-L616 VanDerWaalsContact C-N 3.32Å; A614-L616 PolarHBondContact O-N 3.38Å; L616-L619 PolarHBondContact O-N 3.23Å; L616-R620 HydrophobicContact CD1-CG 4.09Å; L616-R620 HydrophobicContact CG-CG 4.37Å; L616-R620 WeakPolarHBondContact O-CB 3.31Å; L616-R620 VanDerWaalsContact O-CG 3.28Å; L616-R620 WeakPolarHBondContact O-CG 3.45Å; L616-R620 PolarHBondContact O-N 3.42Å; L616-F628 HydrophobicContact CD2-CD2 4.03Å; L616-F628 HydrophobicContact CD2-CE2 3.83Å; L616-F628 HydrophobicContact CG-CE2 4.31Å
617	N	97.3	Very high	95.5	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-64	-40.2	177.7	-79.9	-9.8	0	0	0	112.5	S204 L205 M613 A614 M615 R620 R621 T627 F628	S204-N617 PolarHBondContact O-ND2 3.49Å; L205-N617 HydrophobicContact CD1-CB 4.2Å; M613-N617 VanDerWaalsContact O-CB 3.25Å; M613-N617 WeakPolarHBondContact O-CB 3.23Å; M613-N617 PolarHBondContact O-N 2.91Å; A614-N617 PolarHBondContact O-N 3.29Å; M615-N617 VanDerWaalsContact C-N 3.34Å; M615-N617 PolarHBondContact O-N 2.99Å; N617-R620 PolarHBondContact O-N 2.8Å; N617-R621 WeakPolarHBondContact O-CB 3.49Å; N617-R621 PolarHBondContact O-N 2.77Å; N617-T627 HydrophobicContact CB-CG2 4.16Å; N617-F628 PolarHBondContact ND2-O 3.43Å; N617-F628 PolarHBondContact OD1-N 3.42Å
618	H	95.2	Very high	95.5	Very high	27 Å²	27	25 Å²	25	13%	0.125	13%	0.13	C	C	.	.	H	α-helix	trans	-66.6	-40.8	175.1	-71.4	-69.6	0	0	0	112	L203 L293 P294 A614 M615 R621 Q622	L203-H618 PolarHBondContact O-NE2 3.05Å; L293-H618 HydrophobicContact CD2-CB 4.2Å; P294-H618 PolarHBondContact O-CD2 2.98Å; A614-H618 PolarHBondContact O-CD2 2.8Å; A614-H618 PolarHBondContact O-N 2.88Å; M615-H618 PolarHBondContact O-N 3.36Å; H618-R621 PolarHBondContact O-N 3.39Å; H618-Q622 VanDerWaalsContact O-CG 3.3Å; H618-Q622 WeakPolarHBondContact O-CG 3.26Å; H618-Q622 PolarHBondContact O-N 3.04Å
619	L	95.1	Very high	95.5	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	14%	0.135	C	C	.	.	H	α-helix	trans	-64.6	-45.2	174.9	-174	65.5	0	0	0	111.8	L265 L267 L293 F548 T551 V552 M615 L616 Q622 R623	L265-L619 HydrophobicContact CD1-CD1 4.5Å; L267-L619 HydrophobicContact CD1-CD1 4.16Å; L293-L619 HydrophobicContact CD1-CB 4.08Å; F548-L619 HydrophobicContact CD1-CD2 3.86Å; F548-L619 HydrophobicContact CE1-CD2 4.35Å; T551-L619 HydrophobicContact CG2-CB 4.4Å; T551-L619 HydrophobicContact CG2-CD2 3.79Å; T551-L619 HydrophobicContact CG2-CG 3.77Å; V552-L619 HydrophobicContact CG2-CD2 4.08Å; M615-L619 PolarHBondContact O-N 3.29Å; L616-L619 PolarHBondContact O-N 3.23Å; L619-Q622 WeakPolarHBondContact O-CB 3.49Å; L619-Q622 PolarHBondContact O-N 3.27Å; L619-R623 PolarHBondContact O-N 2.82Å
620	R	95.5	Very high	95.5	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-63.2	-41.8	176.5	-73.1	180	67.5	74.5	4.5	111.6	T551 E565 L616 N617 Q622 R623 G624 F625 H626 T627 F628	T551-R620 HydrophobicContact CG2-CB 4.45Å; T551-R620 HydrophobicContact CG2-CG 3.46Å; T551-R620 VanDerWaalsContact CG2-CG 3.46Å; T551-R620 WeakPolarHBondContact OG1-CG 3.45Å; T551-R620 PolarHBondContact OG1-NH1 3.06Å; E565-R620 IonicContact OE1-CZ 2.91Å; E565-R620 IonicContact OE1-NH2 3.64Å; E565-R620 PolarHBondContact OE1-NH2 3.44Å; L616-R620 HydrophobicContact CD1-CG 4.09Å; L616-R620 HydrophobicContact CG-CG 4.37Å; L616-R620 WeakPolarHBondContact O-CB 3.31Å; L616-R620 VanDerWaalsContact O-CG 3.28Å; L616-R620 WeakPolarHBondContact O-CG 3.45Å; L616-R620 PolarHBondContact O-N 3.42Å; N617-R620 PolarHBondContact O-N 2.8Å; R620-Q622 PolarHBondContact O-N 2.98Å; R620-R623 CarbonylContact O-C 3.52Å; R620-R623 WeakPolarHBondContact O-CA 3.49Å; R620-R623 PolarHBondContact O-N 3.21Å; R620-R623 VanDerWaalsContact O-N 3.07Å; R620-G624 PolarHBondContact O-N 3.47Å; R620-F625 HydrophobicContact CB-CB 4.09Å; R620-F625 HydrophobicContact CG-CB 4.43Å; R620-F625 PolarHBondContact O-N 2.86Å; R620-H626 VanDerWaalsContact CZ-O 3.23Å; R620-H626 PolarHBondContact NE-O 3.01Å; R620-H626 PolarHBondContact NH2-O 3.01Å; R620-T627 HydrophobicContact CB-CG2 4.46Å; R620-F628 VanDerWaalsContact CD-CE2 3.5Å
621	R	92.4	Very high	95.4	Very high	124 Å²	124	26 Å²	26	47%	0.468	14%	0.135	S	C	.	.	H	α-helix	trans	-61.2	-40	173	-178	177	-177.3	-174.1	8.7	112.7	L205 N617 H618 R623 G624 T627	L205-R621 HydrophobicContact CD1-CB 4.07Å; L205-R621 HydrophobicContact CD1-CG 4.42Å; L205-R621 VanDerWaalsContact CD2-NH1 3.27Å; N617-R621 WeakPolarHBondContact O-CB 3.49Å; N617-R621 PolarHBondContact O-N 2.77Å; H618-R621 PolarHBondContact O-N 3.39Å; R621-R623 PolarHBondContact O-N 3.39Å; R621-G624 PolarHBondContact O-N 3.49Å; R621-G624 VanDerWaalsContact O-N 3.07Å; R621-T627 HydrophobicContact CB-CG2 4.33Å
622	Q	91.6	Very high	95.5	Very high	130 Å²	130	26 Å²	26	61%	0.607	14%	0.135	S	C	*	.	H	α-helix	trans	-62.2	-26.9	174.8	-74	172.8	20.7	0	0	112.7	H618 L619 R620	H618-Q622 VanDerWaalsContact O-CG 3.3Å; H618-Q622 WeakPolarHBondContact O-CG 3.26Å; H618-Q622 PolarHBondContact O-N 3.04Å; L619-Q622 WeakPolarHBondContact O-CB 3.49Å; L619-Q622 PolarHBondContact O-N 3.27Å; R620-Q622 PolarHBondContact O-N 2.98Å
623	R	92.3	Very high	95.4	Very high	50 Å²	50	27 Å²	27	19%	0.189	14%	0.139	C	C	.	.	H	α-helix	trans	-89.4	-12.1	172.9	-59.5	-156.6	71.5	149.1	13.8	114.8	P262 G263 L265 T551 V552 L619 R620 R621 F625	P262-R623 VanDerWaalsContact CB-NH2 3.32Å; G263-R623 PolarHBondContact O-NH1 2.88Å; G263-R623 PolarHBondContact O-NH2 3.11Å; L265-R623 HydrophobicContact CD1-CG 4.21Å; T551-R623 WeakPolarHBondContact O-CD 3.24Å; T551-R623 PolarHBondContact O-NH1 3.28Å; V552-R623 PolarHBondContact O-NH1 3.44Å; L619-R623 PolarHBondContact O-N 2.82Å; R620-R623 CarbonylContact O-C 3.52Å; R620-R623 WeakPolarHBondContact O-CA 3.49Å; R620-R623 PolarHBondContact O-N 3.21Å; R620-R623 VanDerWaalsContact O-N 3.07Å; R621-R623 PolarHBondContact O-N 3.39Å; R623-F625 HydrophobicContact CB-CD1 3.85Å; R623-F625 HydrophobicContact CB-CD2 3.96Å; R623-F625 HydrophobicContact CB-CE1 3.85Å; R623-F625 HydrophobicContact CB-CE2 4Å; R623-F625 HydrophobicContact CB-CG 3.9Å; R623-F625 HydrophobicContact CB-CZ 3.94Å; R623-F625 HydrophobicContact CG-CE2 4.37Å
624	G	90.6	Very high	95.4	Very high	68 Å²	68	27 Å²	27	70%	0.701	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	77	20	-172.1	0	0	0	0	0	114.7	R620 R621	R620-G624 PolarHBondContact O-N 3.47Å; R621-G624 PolarHBondContact O-N 3.49Å; R621-G624 VanDerWaalsContact O-N 3.07Å
625	F	93.5	Very high	95.3	Very high	22 Å²	22	27 Å²	27	10%	0.096	14%	0.139	C	C	.	.			trans	-86.1	160.4	179.1	-61.5	-9.4	0	0	0	112.2	P262 T551 P554 H561 R620 R623 T627	P262-F625 HydrophobicContact CB-CE1 4.36Å; P262-F625 HydrophobicContact CB-CZ 4.06Å; P262-F625 HydrophobicContact CG-CE1 3.85Å; P262-F625 HydrophobicContact CG-CZ 3.89Å; T551-F625 HydrophobicContact CG2-CD2 4.37Å; P554-F625 HydrophobicContact CG-CE2 3.97Å; P554-F625 HydrophobicContact CG-CZ 3.9Å; H561-F625 AromaticContact CE1-CZ 3.91Å; R620-F625 HydrophobicContact CB-CB 4.09Å; R620-F625 HydrophobicContact CG-CB 4.43Å; R620-F625 PolarHBondContact O-N 2.86Å; R623-F625 HydrophobicContact CB-CD1 3.85Å; R623-F625 HydrophobicContact CB-CD2 3.96Å; R623-F625 HydrophobicContact CB-CE1 3.85Å; R623-F625 HydrophobicContact CB-CE2 4Å; R623-F625 HydrophobicContact CB-CG 3.9Å; R623-F625 HydrophobicContact CB-CZ 3.94Å; R623-F625 HydrophobicContact CG-CE2 4.37Å; F625-T627 PolarHBondContact O-N 2.99Å
626	H	90.9	Very high	95.1	Very high	59 Å²	59	27.9 Å²	27.9	27%	0.273	14%	0.144	S	C	.	.			trans	-58.1	134	177.7	-163	-108.1	0	0	0	113	E565 V567 D568 R620	E565-H626 WeakPolarHBondContact OE2-CB 2.95Å; E565-H626 PolarHBondContact OE2-N 3.38Å; E565-H626 VanDerWaalsContact OE2-N 3.15Å; V567-H626 PolarHBondContact O-ND1 3.13Å; D568-H626 IonicContact OD1-CE1 2.62Å; R620-H626 VanDerWaalsContact CZ-O 3.23Å; R620-H626 PolarHBondContact NE-O 3.01Å; R620-H626 PolarHBondContact NH2-O 3.01Å
627	T	94.9	Very high	94.7	Very high	31 Å²	31	28.4 Å²	28.4	19%	0.19	15%	0.148	C	C	.	.			trans	-104	148.6	-179.2	49.7	0	0	0	0	111.8	N617 R620 R621 F625	N617-T627 HydrophobicContact CB-CG2 4.16Å; R620-T627 HydrophobicContact CB-CG2 4.46Å; R621-T627 HydrophobicContact CB-CG2 4.33Å; F625-T627 PolarHBondContact O-N 2.99Å
628	F	97.3	Very high	94.2	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.009	16%	0.163	C	C	.	.			trans	-97.5	149.5	-172.3	-51.2	-59.3	0	0	0	112.8	L564 V567 D568 F570 M613 L616 N617 R620	L564-F628 HydrophobicContact CB-CZ 4.2Å; L564-F628 HydrophobicContact CD1-CZ 4.46Å; L564-F628 HydrophobicContact CD2-CE1 4.21Å; L564-F628 HydrophobicContact CD2-CZ 3.85Å; L564-F628 HydrophobicContact CG-CZ 4.37Å; V567-F628 HydrophobicContact CB-CE1 4.16Å; V567-F628 HydrophobicContact CG1-CD1 4.17Å; V567-F628 HydrophobicContact CG1-CE1 4.06Å; V567-F628 WeakPolarHBondContact O-CD1 3.5Å; V567-F628 WeakPolarHBondContact O-CE1 3.48Å; D568-F628 WeakPolarHBondContact O-CA 3.38Å; F570-F628 HydrophobicContact CD2-CB 4.06Å; F570-F628 HydrophobicContact CE2-CB 3.86Å; F570-F628 AromaticContact CE2-CD2 3.94Å; F570-F628 HydrophobicContact CE2-CD2 3.94Å; F570-F628 AromaticContact CE2-CG 3.97Å; F570-F628 HydrophobicContact CE2-CG 3.97Å; M613-F628 HydrophobicContact CG-CB 4.18Å; M613-F628 HydrophobicContact SD-CB 4.3Å; L616-F628 HydrophobicContact CD2-CD2 4.03Å; L616-F628 HydrophobicContact CD2-CE2 3.83Å; L616-F628 HydrophobicContact CG-CE2 4.31Å; N617-F628 PolarHBondContact ND2-O 3.43Å; N617-F628 PolarHBondContact OD1-N 3.42Å; R620-F628 VanDerWaalsContact CD-CE2 3.5Å
629	V	97.5	Very high	94	Very high	22 Å²	22	29.4 Å²	29.4	13%	0.133	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	159.6	169.5	-58.2	0	0	0	0	111.8	Q206 D568 G569 F570 M613 R631 E651	Q206-V629 HydrophobicContact CG-CB 4.25Å; Q206-V629 HydrophobicContact CG-CG1 4.12Å; D568-V629 PolarHBondContact O-N 3Å; G569-V629 CarbonylContact C-O 3.35Å; G569-V629 WeakPolarHBondContact CA-O 3.44Å; F570-V629 PolarHBondContact N-O 3.46Å; M613-V629 VanDerWaalsContact SD-C 3.59Å; V629-R631 HydrophobicContact CG2-CG 4.05Å; V629-E651 HydrophobicContact CB-CB 3.92Å; V629-E651 HydrophobicContact CB-CG 4.19Å; V629-E651 HydrophobicContact CG1-CB 4.46Å; V629-E651 HydrophobicContact CG1-CG 4.33Å; V629-E651 HydrophobicContact CG2-CB 4.32Å; V629-E651 HydrophobicContact CG2-CG 4.33Å
630	L	98.3	Very high	93.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	120.1	175.2	-179.5	58.7	0	0	0	109.3	Q206 F570 T609 F610 M613 L649 A650 E651	Q206-L630 PolarHBondContact OE1-O 2.82Å; F570-L630 HydrophobicContact CB-CD1 4.13Å; T609-L630 HydrophobicContact CG2-CD1 4Å; F610-L630 HydrophobicContact CB-CD2 4.07Å; F610-L630 HydrophobicContact CD2-CD2 4.21Å; M613-L630 HydrophobicContact CE-CB 3.87Å; M613-L630 HydrophobicContact SD-CB 3.99Å; L630-L649 HydrophobicContact CD2-CB 4.08Å; L630-A650 CarbonylContact O-C 3.51Å; L630-A650 WeakPolarHBondContact O-CA 3.46Å; L630-A650 WeakPolarHBondContact O-CB 3.47Å; L630-E651 PolarHBondContact O-N 3.26Å
631	R	97.8	Very high	93.4	Very high	10 Å²	10	32.1 Å²	32.1	4%	0.038	18%	0.176	C	C	.	.			trans	-133.6	80	178.1	-61.2	-173.6	-169.1	151.7	10.8	110.5	E484 L517 F570 D571 V629 E651 N652 M750 S751 G752	E484-R631 IonicContact OE1-CZ 2.91Å; E484-R631 IonicContact OE1-NH1 3.41Å; E484-R631 PolarHBondContact OE1-NH1 3.4Å; E484-R631 IonicContact OE2-NH1 2.79Å; E484-R631 PolarHBondContact OE2-NH1 3.36Å; L517-R631 HydrophobicContact CD2-CB 4.08Å; F570-R631 PolarHBondContact O-N 2.79Å; D571-R631 WeakPolarHBondContact CB-O 3.45Å; V629-R631 HydrophobicContact CG2-CG 4.05Å; R631-E651 HydrophobicContact CG-CB 4.25Å; R631-N652 WeakPolarHBondContact CA-O 3.38Å; R631-N652 HydrophobicContact CG-CB 4.02Å; R631-N652 PolarHBondContact NE-ND2 2.91Å; R631-N652 VanDerWaalsContact NE-ND2 3.11Å; R631-M750 VanDerWaalsContact CZ-O 3.31Å; R631-M750 PolarHBondContact NH2-O 3.01Å; R631-S751 VanDerWaalsContact NH2-C 3.28Å; R631-G752 VanDerWaalsContact NH2-N 3.14Å
632	P	97.9	Very high	93.5	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	16%	0.155	C	C	.	.			trans	-83	155.5	-173.3	34.4	-32.6	0	0	0	112.4	D571 L606 C634 A646 A650 N652 I653 S654	D571-P632 WeakPolarHBondContact OD1-CA 3.45Å; L606-P632 HydrophobicContact CD1-CG 4.15Å; L606-P632 HydrophobicContact CD2-CB 3.88Å; L606-P632 HydrophobicContact CD2-CG 4.23Å; P632-C634 PolarHBondContact O-N 3.1Å; P632-A646 HydrophobicContact CG-CB 4.27Å; P632-A650 VanDerWaalsContact CD-CB 3.42Å; P632-A650 HydrophobicContact CG-CB 3.99Å; P632-N652 WeakPolarHBondContact CD-O 3.31Å; P632-I653 WeakPolarHBondContact O-CA 3.49Å; P632-S654 PolarHBondContact O-N 3.49Å
633	H	97.6	Very high	93.7	Very high	20 Å²	20	20.2 Å²	20.2	9%	0.093	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	122.4	157.8	-65.7	37.3	0	0	0	109	H364 H366 D571 S572 V573 Y602 H655	H364-H633 AromaticContact CE1-CD2 3.89Å; H364-H633 AromaticContact CE1-CE1 3.36Å; H364-H633 PolarHBondContact CE1-CE1 2.98Å; H364-H633 AromaticContact CE1-NE2 3.27Å; H364-H633 PolarHBondContact CE1-NE2 3Å; H364-H633 VanDerWaalsContact CE1-NE2 3.27Å; H364-H633 AromaticContact NE2-CE1 2.95Å; H364-H633 PolarHBondContact NE2-CE1 2.79Å; H364-H633 AromaticContact NE2-ND1 3.86Å; H364-H633 AromaticContact NE2-NE2 3.23Å; H364-H633 PolarHBondContact NE2-NE2 2.99Å; H366-H633 AromaticContact CE1-CE1 3.59Å; H366-H633 AromaticContact CE1-NE2 3.23Å; H366-H633 PolarHBondContact CE1-NE2 3.34Å; H366-H633 AromaticContact NE2-NE2 3.44Å; H366-H633 PolarHBondContact NE2-NE2 3.26Å; D571-H633 VanDerWaalsContact CG-ND1 3.26Å; D571-H633 IonicContact OD1-CE1 3.19Å; D571-H633 IonicContact OD1-CG 3.39Å; D571-H633 PolarHBondContact OD1-N 3.12Å; D571-H633 IonicContact OD1-ND1 3.35Å; D571-H633 PolarHBondContact OD1-ND1 2.71Å; D571-H633 IonicContact OD2-CE1 2.72Å; D571-H633 PolarHBondContact OD2-CE1 3.03Å; D571-H633 IonicContact OD2-ND1 3.12Å; D571-H633 PolarHBondContact OD2-ND1 2.85Å; S572-H633 PolarHBondContact O-N 3.23Å; V573-H633 WeakPolarHBondContact CG1-CE1 3.13Å; Y602-H633 WeakPolarHBondContact CE2-O 3.15Å; Y602-H633 PolarHBondContact OH-O 2.85Å; H633-H655 AromaticContact CD2-NE2 3.23Å; H633-H655 PolarHBondContact CD2-NE2 3.46Å; H633-H655 AromaticContact CG-NE2 3.67Å; H633-H655 AromaticContact NE2-NE2 3.86Å
634	C	96.8	Very high	93.8	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	128.8	-173.9	-162.5	0	0	0	0	113.6	Y602 P632 E636 H642 L643 A646 I653 S654 G656	Y602-C634 WeakPolarHBondContact OH-CB 3.26Å; Y602-C634 PolarHBondContact OH-SG 2.94Å; P632-C634 PolarHBondContact O-N 3.1Å; C634-E636 VanDerWaalsContact C-N 3.3Å; C634-E636 PolarHBondContact O-N 3.43Å; C634-H642 PolarHBondContact SG-O 2.75Å; C634-H642 VanDerWaalsContact SG-O 3.34Å; C634-L643 HydrophobicContact CB-CD2 4.27Å; C634-L643 PolarHBondContact SG-N 3.22Å; C634-A646 HydrophobicContact CB-CB 4.02Å; C634-A646 WeakPolarHBondContact SG-CB 3.4Å; C634-I653 HydrophobicContact CB-CB 4.06Å; C634-I653 HydrophobicContact CB-CG2 3.86Å; C634-S654 PolarHBondContact N-O 2.67Å; C634-S654 VanDerWaalsContact N-O 3.17Å; C634-S654 VanDerWaalsContact O-O 3.12Å; C634-G656 WeakPolarHBondContact O-CA 3.44Å; C634-G656 PolarHBondContact O-N 3.14Å
635	G	94.4	Very high	94.1	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.084	C	C	.	.	S	Bend	trans	64.2	31.8	177.1	0	0	0	0	0	113.5	E576 G656 L657 L658	E576-G635 VanDerWaalsContact CD-N 3.27Å; E576-G635 PolarHBondContact OE1-N 3.06Å; E576-G635 WeakPolarHBondContact OE2-CA 3.49Å; E576-G635 PolarHBondContact OE2-N 2.99Å; G635-G656 CarbonylContact O-C 3.5Å; G635-L657 CarbonylContact O-C 3.6Å; G635-L657 WeakPolarHBondContact O-CA 3.43Å; G635-L657 PolarHBondContact O-N 3.17Å; G635-L658 WeakPolarHBondContact O-CG 3.3Å; G635-L658 PolarHBondContact O-N 2.87Å
636	E	92.2	Very high	94.3	Very high	20 Å²	20	13.6 Å²	13.6	9%	0.093	8%	0.079	C	C	.	.	S	Bend	trans	-70.1	-48.7	158.7	-170.7	166.8	-135.7	0	0	109.7	E576 C634 H655 L657 N683 F687	E576-E636 PolarHBondContact OE2-N 3.16Å; C634-E636 VanDerWaalsContact C-N 3.3Å; C634-E636 PolarHBondContact O-N 3.43Å; E636-H655 HydrophobicContact CB-CB 3.56Å; E636-H655 HydrophobicContact CG-CB 3.96Å; E636-H655 IonicContact OE1-CE1 2.66Å; E636-H655 IonicContact OE1-CG 2.8Å; E636-H655 IonicContact OE1-ND1 3.72Å; E636-H655 PolarHBondContact OE1-ND1 3Å; E636-H655 IonicContact OE2-CE1 2.74Å; E636-H655 PolarHBondContact OE2-CE1 2.77Å; E636-H655 IonicContact OE2-CG 2.81Å; E636-H655 IonicContact OE2-ND1 3.93Å; E636-H655 PolarHBondContact OE2-ND1 3.15Å; E636-L657 HydrophobicContact CG-CD1 3.86Å; E636-L657 HydrophobicContact CG-CG 4.46Å; E636-N683 PolarHBondContact OE1-ND2 2.81Å; E636-F687 HydrophobicContact CG-CD2 3.52Å; E636-F687 HydrophobicContact CG-CE2 3.73Å; E636-F687 HydrophobicContact CG-CG 4.22Å; E636-F687 WeakPolarHBondContact OE1-CD2 3.2Å; E636-F687 WeakPolarHBondContact OE2-CE2 3.48Å
637	A	88.8	Confident	94.6	Very high	11 Å²	11	10.8 Å²	10.8	9%	0.091	7%	0.066	C	C	.	.	S	Bend	trans	-137.7	-164.2	178.6	0	0	0	0	0	110	E576 L658 F687	E576-A637 HydrophobicContact CB-CB 4.25Å; E576-A637 WeakPolarHBondContact CG-O 3.5Å; E576-A637 PolarHBondContact OE2-N 3.47Å; A637-L658 WeakPolarHBondContact O-CD1 3.35Å; A637-F687 HydrophobicContact CB-CD1 4.11Å; A637-F687 HydrophobicContact CB-CE1 3.73Å; A637-F687 HydrophobicContact CB-CZ 4.19Å
638	G	88.4	Confident	94.7	Very high	30 Å²	30	9.3 Å²	9.3	31%	0.309	6%	0.057	S	C	.	.	S	Bend	trans	72	-160.3	175.9	0	0	0	0	0	115.4	E576 L658	E576-G638 WeakPolarHBondContact O-CA 3.4Å; E576-G638 PolarHBondContact O-N 2.93Å; G638-L658 WeakPolarHBondContact O-CD1 3.49Å
639	P	89.4	Confident	94.7	Very high	17 Å²	17	9.2 Å²	9.2	11%	0.11	6%	0.057	C	C	.	.			trans	-90.3	154.6	-176.4	37.3	-37.7	0	0	0	113.5	S79 H641 H642	S79-P639 WeakPolarHBondContact OG-CB 3.49Å; P639-H641 VanDerWaalsContact CB-CE1 3.47Å; P639-H641 WeakPolarHBondContact CB-CE1 3.4Å; P639-H641 WeakPolarHBondContact CG-CE1 3.48Å; P639-H641 PolarHBondContact O-N 3.27Å; P639-H642 WeakPolarHBondContact CD-NE2 3.49Å; P639-H642 WeakPolarHBondContact CG-NE2 3.48Å; P639-H642 PolarHBondContact O-N 2.83Å
640	I	89.4	Confident	94.7	Very high	42 Å²	42	8.2 Å²	8.2	22%	0.215	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-21	-172.4	-64.6	174.7	0	0	0	113	I312 H642 L643 K661 A662 L665	I312-I640 HydrophobicContact CG2-CG2 4.44Å; I640-H642 PolarHBondContact O-N 3.39Å; I640-L643 PolarHBondContact O-N 2.71Å; I640-L643 VanDerWaalsContact O-N 3.16Å; I640-K661 HydrophobicContact CD1-CB 4.18Å; I640-A662 HydrophobicContact CG2-CB 3.96Å; I640-L665 HydrophobicContact CG2-CD1 3.86Å
641	H	88.8	Confident	94.7	Very high	17 Å²	17	9.4 Å²	9.4	8%	0.079	6%	0.056	C	C	.	.	H	α-helix	trans	-68.6	-14.3	179.6	63.2	-102.7	0	0	0	114.5	M309 E580 P639 V644 S645	M309-H641 HydrophobicContact CE-CB 3.72Å; M309-H641 HydrophobicContact SD-CB 3.42Å; M309-H641 WeakPolarHBondContact SD-CB 3.44Å; E580-H641 IonicContact OE2-CD2 2.81Å; E580-H641 IonicContact OE2-CE1 3.81Å; E580-H641 IonicContact OE2-NE2 2.87Å; E580-H641 PolarHBondContact OE2-NE2 3.49Å; P639-H641 VanDerWaalsContact CB-CE1 3.47Å; P639-H641 WeakPolarHBondContact CB-CE1 3.4Å; P639-H641 WeakPolarHBondContact CG-CE1 3.48Å; P639-H641 PolarHBondContact O-N 3.27Å; H641-V644 WeakPolarHBondContact O-CB 3.23Å; H641-V644 PolarHBondContact O-N 3.25Å; H641-S645 PolarHBondContact O-N 2.78Å; H641-S645 PolarHBondContact O-OG 2.75Å
642	H	94.5	Very high	94.6	Very high	4 Å²	4	9.4 Å²	9.4	2%	0.019	6%	0.057	C	C	.	.	H	α-helix	trans	-60.8	-47.5	168.9	-67.9	-166.8	0	0	0	111	E576 E580 Y602 C634 P639 I640 V644 S645 A646	E576-H642 WeakPolarHBondContact CG-ND1 3.28Å; E576-H642 IonicContact OE1-CE1 2.69Å; E576-H642 IonicContact OE1-CG 2.74Å; E576-H642 IonicContact OE1-ND1 2.97Å; E576-H642 PolarHBondContact OE1-ND1 2.77Å; E580-H642 IonicContact OE1-NE2 3.16Å; E580-H642 PolarHBondContact OE1-NE2 3.19Å; E580-H642 IonicContact OE2-NE2 2.7Å; Y602-H642 WeakPolarHBondContact CB-NE2 3.45Å; Y602-H642 HydrophobicContact CD1-CB 3.69Å; Y602-H642 AromaticContact CD1-CD2 3.72Å; Y602-H642 AromaticContact CD1-CG 3.55Å; Y602-H642 AromaticContact CD2-CE1 3.87Å; Y602-H642 AromaticContact CD2-ND1 3.66Å; Y602-H642 HydrophobicContact CE1-CB 3.61Å; Y602-H642 AromaticContact CE1-CG 3.95Å; Y602-H642 HydrophobicContact CG-CB 4.22Å; Y602-H642 AromaticContact CG-CD2 3.68Å; Y602-H642 AromaticContact CG-CE1 3.77Å; Y602-H642 AromaticContact CG-CG 3.61Å; Y602-H642 AromaticContact CG-ND1 3.67Å; Y602-H642 AromaticContact CG-NE2 3.8Å; C634-H642 PolarHBondContact SG-O 2.75Å; C634-H642 VanDerWaalsContact SG-O 3.34Å; P639-H642 WeakPolarHBondContact CD-NE2 3.49Å; P639-H642 WeakPolarHBondContact CG-NE2 3.48Å; P639-H642 PolarHBondContact O-N 2.83Å; I640-H642 PolarHBondContact O-N 3.39Å; H642-V644 PolarHBondContact O-N 2.72Å; H642-S645 WeakPolarHBondContact O-CB 3.24Å; H642-S645 PolarHBondContact O-N 2.8Å; H642-S645 VanDerWaalsContact O-N 3.09Å; H642-A646 PolarHBondContact O-N 3.29Å
643	L	96.1	Very high	94.6	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-67.6	-22.4	-180	-72.4	164.5	0	0	0	112.9	C634 I640 F647 I653 L658 L659 L665 Y669	C634-L643 HydrophobicContact CB-CD2 4.27Å; C634-L643 PolarHBondContact SG-N 3.22Å; I640-L643 PolarHBondContact O-N 2.71Å; I640-L643 VanDerWaalsContact O-N 3.16Å; L643-F647 WeakPolarHBondContact O-CB 3.39Å; L643-F647 PolarHBondContact O-N 3.36Å; L643-I653 HydrophobicContact CD2-CD1 3.67Å; L643-L658 HydrophobicContact CD1-CB 3.85Å; L643-L659 HydrophobicContact CD1-CD2 3.9Å; L643-L659 HydrophobicContact CD1-CG 3.89Å; L643-L659 HydrophobicContact CD2-CD1 4.42Å; L643-L659 HydrophobicContact CD2-CD2 4.14Å; L643-L659 HydrophobicContact CD2-CG 4.02Å; L643-L659 HydrophobicContact CG-CD2 4.43Å; L643-L665 HydrophobicContact CB-CD1 3.75Å; L643-Y669 PolarHBondContact O-OH 3.01Å
644	V	95.6	Very high	94.7	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-67.6	-50.4	168.9	177.9	0	0	0	0	110.4	V305 L308 M309 I312 H641 H642 A646 F647 M648 L665	V305-V644 HydrophobicContact CG1-CG1 4.39Å; L308-V644 HydrophobicContact CB-CG1 3.52Å; L308-V644 HydrophobicContact CD1-CG1 3.88Å; L308-V644 HydrophobicContact CG-CG1 4.38Å; M309-V644 HydrophobicContact CG-CG1 4.47Å; M309-V644 HydrophobicContact SD-CG2 4.11Å; I312-V644 HydrophobicContact CD1-CG2 3.3Å; H641-V644 WeakPolarHBondContact O-CB 3.23Å; H641-V644 PolarHBondContact O-N 3.25Å; H642-V644 PolarHBondContact O-N 2.72Å; V644-A646 VanDerWaalsContact C-N 3.34Å; V644-A646 PolarHBondContact O-N 2.99Å; V644-F647 WeakPolarHBondContact O-CB 3.31Å; V644-F647 PolarHBondContact O-N 3.32Å; V644-M648 PolarHBondContact O-N 2.97Å; V644-M648 VanDerWaalsContact O-N 3.14Å; V644-L665 HydrophobicContact CG2-CD1 4.22Å; V644-L665 HydrophobicContact CG2-CD2 4.41Å
645	S	95.6	Very high	94.6	Very high	1 Å²	1	8.7 Å²	8.7	1%	0.007	5%	0.053	C	C	.	.	H	α-helix	trans	-61.8	-43.1	179.5	-53.8	0	0	0	0	111	A603 H641 H642 M648 L649	A603-S645 WeakPolarHBondContact CB-OG 3.42Å; H641-S645 PolarHBondContact O-N 2.78Å; H641-S645 PolarHBondContact O-OG 2.75Å; H642-S645 WeakPolarHBondContact O-CB 3.24Å; H642-S645 PolarHBondContact O-N 2.8Å; H642-S645 VanDerWaalsContact O-N 3.09Å; S645-M648 PolarHBondContact O-N 2.74Å; S645-L649 WeakPolarHBondContact O-CB 3.47Å; S645-L649 WeakPolarHBondContact O-CG 3.45Å; S645-L649 PolarHBondContact O-N 3.3Å
646	A	97.4	Very high	94.7	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-68.7	-36.4	174.9	0	0	0	0	0	113.2	L606 P632 C634 H642 V644 M648 L649 A650 I653	L606-A646 HydrophobicContact CD1-CB 4.44Å; P632-A646 HydrophobicContact CG-CB 4.27Å; C634-A646 HydrophobicContact CB-CB 4.02Å; C634-A646 WeakPolarHBondContact SG-CB 3.4Å; H642-A646 PolarHBondContact O-N 3.29Å; V644-A646 VanDerWaalsContact C-N 3.34Å; V644-A646 PolarHBondContact O-N 2.99Å; A646-M648 PolarHBondContact O-N 3.39Å; A646-L649 PolarHBondContact O-N 2.79Å; A646-A650 HydrophobicContact CB-CB 4.27Å; A646-A650 WeakPolarHBondContact O-CB 3.15Å; A646-A650 PolarHBondContact O-N 3.45Å; A646-I653 HydrophobicContact CB-CG2 3.75Å
647	F	98.2	Very high	94.9	Very high	0 Å²	0	8 Å²	8	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-59.5	-35.6	174.3	174.9	-98	0	0	0	112.4	A193 R197 L308 L643 V644 L665 L668 Y669 A672 I674	A193-F647 HydrophobicContact CB-CE1 4.29Å; A193-F647 WeakPolarHBondContact O-CE1 3.43Å; R197-F647 HydrophobicContact CB-CE1 3.86Å; R197-F647 HydrophobicContact CB-CE2 4.41Å; R197-F647 HydrophobicContact CB-CZ 3.78Å; R197-F647 WeakPolarHBondContact CD-O 3.27Å; R197-F647 HydrophobicContact CG-CZ 4.48Å; R197-F647 WeakPolarHBondContact CG-O 3.48Å; R197-F647 PolarHBondContact NH1-O 3.45Å; L308-F647 HydrophobicContact CD1-CD1 3.81Å; L308-F647 HydrophobicContact CD1-CE1 4.3Å; L308-F647 HydrophobicContact CD2-CD1 4.48Å; L308-F647 HydrophobicContact CD2-CE1 4.31Å; L643-F647 WeakPolarHBondContact O-CB 3.39Å; L643-F647 PolarHBondContact O-N 3.36Å; V644-F647 WeakPolarHBondContact O-CB 3.31Å; V644-F647 PolarHBondContact O-N 3.32Å; F647-L665 HydrophobicContact CB-CD2 4.2Å; F647-L665 HydrophobicContact CG-CD2 4.45Å; F647-L668 HydrophobicContact CD2-CB 4.19Å; F647-L668 HydrophobicContact CE1-CD1 4.42Å; F647-L668 HydrophobicContact CE2-CB 3.6Å; F647-L668 HydrophobicContact CZ-CB 3.93Å; F647-L668 HydrophobicContact CZ-CD1 4.29Å; F647-L668 HydrophobicContact CZ-CD2 4.15Å; F647-L668 HydrophobicContact CZ-CG 4.36Å; F647-Y669 HydrophobicContact CB-CE2 3.84Å; F647-Y669 AromaticContact CD2-CD2 3.96Å; F647-Y669 HydrophobicContact CD2-CD2 3.96Å; F647-Y669 AromaticContact CD2-CE2 3.91Å; F647-Y669 HydrophobicContact CD2-CE2 3.91Å; F647-Y669 HydrophobicContact CG-CE2 4.33Å; F647-A672 HydrophobicContact CE2-CB 4.39Å; F647-I674 HydrophobicContact CD2-CD1 3.49Å; F647-I674 VanDerWaalsContact CD2-CD1 3.49Å; F647-I674 HydrophobicContact CE2-CD1 3.8Å
648	M	96.8	Very high	95.2	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-74.2	-49.8	173.2	-66.8	171.2	63.5	0	0	112.1	I196 Y200 M201 F301 D304 V305 L308 V644 S645 A646	I196-M648 HydrophobicContact CG2-CE 4.36Å; I196-M648 HydrophobicContact CG2-CG 4.02Å; Y200-M648 WeakPolarHBondContact CB-O 3.38Å; Y200-M648 HydrophobicContact CD2-CB 4.27Å; Y200-M648 HydrophobicContact CD2-CE 4.03Å; Y200-M648 HydrophobicContact CE1-CE 4.17Å; Y200-M648 HydrophobicContact CE2-CE 3.4Å; Y200-M648 HydrophobicContact CG-CB 4.49Å; Y200-M648 VanDerWaalsContact CZ-CE 3.49Å; M201-M648 WeakPolarHBondContact CE-O 3.45Å; F301-M648 HydrophobicContact CD2-CE 3.47Å; F301-M648 VanDerWaalsContact CD2-CE 3.47Å; F301-M648 HydrophobicContact CE2-CE 3.62Å; F301-M648 HydrophobicContact CE2-SD 4.16Å; F301-M648 HydrophobicContact CG-CE 4.46Å; D304-M648 HydrophobicContact CB-CE 3.47Å; D304-M648 VanDerWaalsContact CB-CE 3.47Å; D304-M648 HydrophobicContact CB-SD 4.33Å; V305-M648 HydrophobicContact CB-SD 4.36Å; V305-M648 HydrophobicContact CG2-CE 3.99Å; V305-M648 HydrophobicContact CG2-SD 3.47Å; V305-M648 WeakPolarHBondContact CG2-SD 3.48Å; L308-M648 HydrophobicContact CD1-CG 3.38Å; L308-M648 HydrophobicContact CD1-SD 3.66Å; V644-M648 PolarHBondContact O-N 2.97Å; V644-M648 VanDerWaalsContact O-N 3.14Å; S645-M648 PolarHBondContact O-N 2.74Å; A646-M648 PolarHBondContact O-N 3.39Å
649	L	97.9	Very high	95.5	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-102	-20.4	-159.1	-57.6	-176.8	0	0	0	115.5	Y200 Q206 F301 L606 F610 L630 S645 A646	Y200-L649 HydrophobicContact CD1-CD2 3.52Å; Y200-L649 HydrophobicContact CE1-CD2 4.04Å; Y200-L649 HydrophobicContact CG-CD2 4.11Å; Q206-L649 PolarHBondContact NE2-O 3.46Å; F301-L649 HydrophobicContact CD2-CD2 4.27Å; F301-L649 HydrophobicContact CE2-CD1 3.74Å; F301-L649 HydrophobicContact CE2-CD2 3.95Å; F301-L649 HydrophobicContact CE2-CG 4.02Å; F301-L649 HydrophobicContact CZ-CD1 4.14Å; L606-L649 HydrophobicContact CB-CD1 3.94Å; F610-L649 HydrophobicContact CB-CB 4.37Å; F610-L649 HydrophobicContact CB-CD1 4.1Å; F610-L649 HydrophobicContact CB-CD2 4.37Å; F610-L649 HydrophobicContact CD1-CD2 3.84Å; F610-L649 HydrophobicContact CD2-CB 3.65Å; F610-L649 HydrophobicContact CD2-CD2 3.83Å; F610-L649 HydrophobicContact CD2-CG 4.23Å; F610-L649 WeakPolarHBondContact CD2-O 3.47Å; F610-L649 HydrophobicContact CE1-CD2 3.95Å; F610-L649 HydrophobicContact CE2-CB 4.09Å; F610-L649 HydrophobicContact CE2-CD2 3.89Å; F610-L649 VanDerWaalsContact CE2-O 3.28Å; F610-L649 WeakPolarHBondContact CE2-O 3.44Å; F610-L649 HydrophobicContact CG-CB 4.14Å; F610-L649 HydrophobicContact CG-CD1 4.38Å; F610-L649 HydrophobicContact CG-CD2 3.76Å; F610-L649 HydrophobicContact CG-CG 4.3Å; F610-L649 HydrophobicContact CZ-CD2 3.95Å; L630-L649 HydrophobicContact CD2-CB 4.08Å; S645-L649 WeakPolarHBondContact O-CB 3.47Å; S645-L649 WeakPolarHBondContact O-CG 3.45Å; S645-L649 PolarHBondContact O-N 3.3Å; A646-L649 PolarHBondContact O-N 2.79Å
650	A	97.8	Very high	95.7	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	4%	0.043	C	C	.	.			trans	-102.2	143.5	-169.7	0	0	0	0	0	114.3	R197 M201 L630 P632 A646 N652 I653	R197-A650 VanDerWaalsContact CZ-O 3.24Å; R197-A650 PolarHBondContact NH1-O 2.94Å; R197-A650 PolarHBondContact NH2-O 3.33Å; M201-A650 WeakPolarHBondContact CE-O 3.49Å; L630-A650 CarbonylContact O-C 3.51Å; L630-A650 WeakPolarHBondContact O-CA 3.46Å; L630-A650 WeakPolarHBondContact O-CB 3.47Å; P632-A650 VanDerWaalsContact CD-CB 3.42Å; P632-A650 HydrophobicContact CG-CB 3.99Å; A646-A650 HydrophobicContact CB-CB 4.27Å; A646-A650 WeakPolarHBondContact O-CB 3.15Å; A646-A650 PolarHBondContact O-N 3.45Å; A650-N652 WeakPolarHBondContact CB-O 3.33Å; A650-I653 HydrophobicContact CB-CG2 4.42Å
651	E	97.4	Very high	95.8	Very high	26 Å²	26	13.4 Å²	13.4	12%	0.121	6%	0.059	C	C	.	.	S	Bend	trans	-60.9	-56.1	167.4	178.2	80	-155.6	0	0	110.2	R197 Q206 S207 V629 L630 R631	R197-E651 PolarHBondContact NH2-O 2.73Å; Q206-E651 WeakPolarHBondContact CB-OE2 3.46Å; Q206-E651 VanDerWaalsContact OE1-N 3.08Å; S207-E651 WeakPolarHBondContact CB-OE1 3.42Å; S207-E651 PolarHBondContact N-OE2 3.42Å; S207-E651 PolarHBondContact OG-OE1 2.89Å; V629-E651 HydrophobicContact CB-CB 3.92Å; V629-E651 HydrophobicContact CB-CG 4.19Å; V629-E651 HydrophobicContact CG1-CB 4.46Å; V629-E651 HydrophobicContact CG1-CG 4.33Å; V629-E651 HydrophobicContact CG2-CB 4.32Å; V629-E651 HydrophobicContact CG2-CG 4.33Å; L630-E651 PolarHBondContact O-N 3.26Å; R631-E651 HydrophobicContact CG-CB 4.25Å
652	N	96.1	Very high	96	Very high	10 Å²	10	12.7 Å²	12.7	5%	0.053	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	173.1	-180	-55.5	-42.2	0	0	0	109.5	R631 P632 A650 G675 M750	R631-N652 WeakPolarHBondContact CA-O 3.38Å; R631-N652 HydrophobicContact CG-CB 4.02Å; R631-N652 PolarHBondContact NE-ND2 2.91Å; R631-N652 VanDerWaalsContact NE-ND2 3.11Å; P632-N652 WeakPolarHBondContact CD-O 3.31Å; A650-N652 WeakPolarHBondContact CB-O 3.33Å; N652-G675 CarbonylContact C-O 3.59Å; N652-G675 VanDerWaalsContact CA-O 3.26Å; N652-G675 WeakPolarHBondContact CA-O 3.33Å; N652-G675 WeakPolarHBondContact CB-O 3.44Å; N652-G675 WeakPolarHBondContact OD1-CA 3.35Å; N652-G675 PolarHBondContact OD1-N 2.75Å; N652-M750 PolarHBondContact ND2-O 3.3Å
653	I	98.4	Very high	96.1	Very high	2 Å²	2	13.2 Å²	13.2	1%	0.01	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	156.6	168.9	62.2	169.2	0	0	0	112.3	P632 C634 L643 A646 A650 L659 Y669 G675 I676 A677	P632-I653 WeakPolarHBondContact O-CA 3.49Å; C634-I653 HydrophobicContact CB-CB 4.06Å; C634-I653 HydrophobicContact CB-CG2 3.86Å; L643-I653 HydrophobicContact CD2-CD1 3.67Å; A646-I653 HydrophobicContact CB-CG2 3.75Å; A650-I653 HydrophobicContact CB-CG2 4.42Å; I653-L659 HydrophobicContact CD1-CD1 4.19Å; I653-Y669 HydrophobicContact CD1-CD1 4.5Å; I653-Y669 HydrophobicContact CD1-CE1 3.61Å; I653-Y669 HydrophobicContact CG1-CE1 4.01Å; I653-Y669 HydrophobicContact CG2-CE1 4.4Å; I653-G675 PolarHBondContact N-O 2.98Å; I653-I676 HydrophobicContact CD1-CG1 4.35Å; I653-I676 HydrophobicContact CD1-CG2 4.37Å; I653-I676 HydrophobicContact CG1-CB 4.38Å; I653-I676 HydrophobicContact CG1-CG1 4.07Å; I653-I676 HydrophobicContact CG1-CG2 4.15Å; I653-I676 WeakPolarHBondContact O-CA 3.18Å; I653-A677 PolarHBondContact O-N 3.43Å
654	S	97.9	Very high	96.1	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	151.7	160.1	-62.5	0	0	0	0	111.1	H364 R486 P632 C634 G656 A677	H364-S654 WeakPolarHBondContact ND1-CB 3.48Å; H364-S654 PolarHBondContact ND1-OG 3.12Å; R486-S654 PolarHBondContact NH2-OG 3.5Å; P632-S654 PolarHBondContact O-N 3.49Å; C634-S654 PolarHBondContact N-O 2.67Å; C634-S654 VanDerWaalsContact N-O 3.17Å; C634-S654 VanDerWaalsContact O-O 3.12Å; S654-G656 PolarHBondContact O-N 3.13Å; S654-A677 CarbonylContact C-O 3.55Å; S654-A677 WeakPolarHBondContact CA-O 3.3Å
655	H	96.3	Very high	96.2	Very high	2 Å²	2	13.4 Å²	13.4	1%	0.009	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	67.1	-72.8	177.1	-39.2	-103.1	0	0	0	115.8	H364 H633 E636 L657 A677 N683 D710	H364-H655 AromaticContact CE1-CE1 3.76Å; H364-H655 AromaticContact CE1-NE2 3.31Å; H364-H655 PolarHBondContact CE1-NE2 3.18Å; H364-H655 VanDerWaalsContact CE1-NE2 3.31Å; H364-H655 AromaticContact ND1-CE1 3.97Å; H364-H655 AromaticContact ND1-NE2 3.67Å; H633-H655 AromaticContact CD2-NE2 3.23Å; H633-H655 PolarHBondContact CD2-NE2 3.46Å; H633-H655 AromaticContact CG-NE2 3.67Å; H633-H655 AromaticContact NE2-NE2 3.86Å; E636-H655 HydrophobicContact CB-CB 3.56Å; E636-H655 HydrophobicContact CG-CB 3.96Å; E636-H655 IonicContact OE1-CE1 2.66Å; E636-H655 IonicContact OE1-CG 2.8Å; E636-H655 IonicContact OE1-ND1 3.72Å; E636-H655 PolarHBondContact OE1-ND1 3Å; E636-H655 IonicContact OE2-CE1 2.74Å; E636-H655 PolarHBondContact OE2-CE1 2.77Å; E636-H655 IonicContact OE2-CG 2.81Å; E636-H655 IonicContact OE2-ND1 3.93Å; E636-H655 PolarHBondContact OE2-ND1 3.15Å; H655-L657 PolarHBondContact O-N 2.85Å; H655-L657 VanDerWaalsContact O-N 3.1Å; H655-A677 PolarHBondContact N-O 3.42Å; H655-N683 PolarHBondContact ND1-ND2 2.74Å; H655-D710 IonicContact CE1-OD1 3.22Å; H655-D710 IonicContact CE1-OD2 3.14Å; H655-D710 PolarHBondContact CE1-OD2 2.66Å
656	G	96.5	Very high	96.4	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	6%	0.06	C	C	.	.			trans	59.8	19.2	178.3	0	0	0	0	0	116.7	C634 G635 S654 L658 L659 Y698	C634-G656 WeakPolarHBondContact O-CA 3.44Å; C634-G656 PolarHBondContact O-N 3.14Å; G635-G656 CarbonylContact O-C 3.5Å; S654-G656 PolarHBondContact O-N 3.13Å; G656-L658 VanDerWaalsContact C-N 3.28Å; G656-L658 PolarHBondContact O-N 3.08Å; G656-L659 WeakPolarHBondContact O-CB 3.21Å; G656-L659 PolarHBondContact O-N 3.28Å; G656-Y698 PolarHBondContact O-OH 3.41Å
657	L	95.4	Very high	96.4	Very high	5 Å²	5	13.5 Å²	13.5	3%	0.026	6%	0.06	C	C	.	.	G	3₁₀ helix	trans	-55.7	-38.3	-177.7	-63.6	-175.8	0	0	0	113.5	G635 E636 H655 L659 R660 M678 N683 F687 L688 P694 Y698	G635-L657 CarbonylContact O-C 3.6Å; G635-L657 WeakPolarHBondContact O-CA 3.43Å; G635-L657 PolarHBondContact O-N 3.17Å; E636-L657 HydrophobicContact CG-CD1 3.86Å; E636-L657 HydrophobicContact CG-CG 4.46Å; H655-L657 PolarHBondContact O-N 2.85Å; H655-L657 VanDerWaalsContact O-N 3.1Å; L657-L659 VanDerWaalsContact C-N 3.28Å; L657-L659 PolarHBondContact O-N 3.26Å; L657-R660 WeakPolarHBondContact O-CD 3.37Å; L657-R660 WeakPolarHBondContact O-CG 3.22Å; L657-R660 PolarHBondContact O-N 3.49Å; L657-M678 HydrophobicContact CD2-CE 4.03Å; L657-N683 HydrophobicContact CD1-CB 4.02Å; L657-N683 HydrophobicContact CD2-CB 4.43Å; L657-F687 HydrophobicContact CD1-CB 4.49Å; L657-L688 HydrophobicContact CD1-CB 4.34Å; L657-L688 HydrophobicContact CD1-CD2 4.29Å; L657-L688 HydrophobicContact CD2-CD2 4.2Å; L657-P694 HydrophobicContact CD2-CG 4.26Å; L657-Y698 PolarHBondContact O-OH 3.24Å
658	L	95	Very high	96.4	Very high	15 Å²	15	13.6 Å²	13.6	8%	0.079	6%	0.061	C	C	.	.	G	3₁₀ helix	trans	-74.1	-11.7	-175.9	-67.2	-173.3	0	0	0	114.2	G635 A637 G638 L643 G656 R660 K661	G635-L658 WeakPolarHBondContact O-CG 3.3Å; G635-L658 PolarHBondContact O-N 2.87Å; A637-L658 WeakPolarHBondContact O-CD1 3.35Å; G638-L658 WeakPolarHBondContact O-CD1 3.49Å; L643-L658 HydrophobicContact CD1-CB 3.85Å; G656-L658 VanDerWaalsContact C-N 3.28Å; G656-L658 PolarHBondContact O-N 3.08Å; L658-R660 PolarHBondContact O-N 3.01Å; L658-R660 VanDerWaalsContact O-N 3.11Å; L658-K661 HydrophobicContact CD2-CD 4.04Å; L658-K661 WeakPolarHBondContact O-CB 3.39Å; L658-K661 PolarHBondContact O-N 2.91Å
659	L	96	Very high	96.5	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	6%	0.061	C	C	.	.	G	3₁₀ helix	trans	-58.5	-23.2	171.3	-69	166.9	0	0	0	111.9	L643 I653 G656 L657 K661 A662 L665 Q666 Y669 I676 Y698	L643-L659 HydrophobicContact CD1-CD2 3.9Å; L643-L659 HydrophobicContact CD1-CG 3.89Å; L643-L659 HydrophobicContact CD2-CD1 4.42Å; L643-L659 HydrophobicContact CD2-CD2 4.14Å; L643-L659 HydrophobicContact CD2-CG 4.02Å; L643-L659 HydrophobicContact CG-CD2 4.43Å; I653-L659 HydrophobicContact CD1-CD1 4.19Å; G656-L659 WeakPolarHBondContact O-CB 3.21Å; G656-L659 PolarHBondContact O-N 3.28Å; L657-L659 VanDerWaalsContact C-N 3.28Å; L657-L659 PolarHBondContact O-N 3.26Å; L659-K661 PolarHBondContact O-N 3.24Å; L659-A662 PolarHBondContact O-N 2.76Å; L659-L665 HydrophobicContact CD2-CB 3.61Å; L659-Q666 HydrophobicContact CB-CB 4.29Å; L659-Q666 HydrophobicContact CB-CG 4.33Å; L659-Q666 PolarHBondContact O-NE2 2.86Å; L659-Y669 HydrophobicContact CD1-CD1 3.86Å; L659-Y669 HydrophobicContact CD1-CD2 4.37Å; L659-Y669 HydrophobicContact CD1-CE1 4.08Å; L659-Y669 HydrophobicContact CD1-CG 4.02Å; L659-Y669 HydrophobicContact CD2-CD2 3.85Å; L659-Y669 HydrophobicContact CD2-CE2 3.86Å; L659-Y669 HydrophobicContact CD2-CG 4.29Å; L659-I676 HydrophobicContact CD1-CD1 3.66Å; L659-Y698 WeakPolarHBondContact CB-OH 3.39Å
660	R	93.6	Very high	96.6	Very high	77 Å²	77	13.9 Å²	13.9	29%	0.291	6%	0.062	S	C	.	.	G	3₁₀ helix	trans	-56	-30.9	168.8	77.5	-174.6	-81.2	146.3	3.4	113.9	L657 L658 R692 P694 Y698	L657-R660 WeakPolarHBondContact O-CD 3.37Å; L657-R660 WeakPolarHBondContact O-CG 3.22Å; L657-R660 PolarHBondContact O-N 3.49Å; L658-R660 PolarHBondContact O-N 3.01Å; L658-R660 VanDerWaalsContact O-N 3.11Å; R660-R692 PolarHBondContact NH1-O 3.26Å; R660-P694 HydrophobicContact CB-CB 4.4Å; R660-Y698 PolarHBondContact N-OH 3.3Å
661	K	90.4	Very high	96.6	Very high	123 Å²	123	13.9 Å²	13.9	54%	0.535	6%	0.062	S	C	.	.	G	3₁₀ helix	trans	-89.5	-14.4	-178.1	-59.4	-171.6	-175.4	176.4	0	112.8	I640 L658 L659 P663	I640-K661 HydrophobicContact CD1-CB 4.18Å; L658-K661 HydrophobicContact CD2-CD 4.04Å; L658-K661 WeakPolarHBondContact O-CB 3.39Å; L658-K661 PolarHBondContact O-N 2.91Å; L659-K661 PolarHBondContact O-N 3.24Å; K661-P663 WeakPolarHBondContact O-CD 3.33Å
662	A	94.1	Very high	96.6	Very high	2 Å²	2	12.9 Å²	12.9	2%	0.017	6%	0.058	C	C	.	.			trans	-123.5	79.2	-171	0	0	0	0	0	112	I640 L659 V664 L665 Q666	I640-A662 HydrophobicContact CG2-CB 3.96Å; L659-A662 PolarHBondContact O-N 2.76Å; A662-V664 PolarHBondContact O-N 2.89Å; A662-V664 VanDerWaalsContact O-N 3.14Å; A662-L665 HydrophobicContact CB-CB 4.09Å; A662-L665 HydrophobicContact CB-CD1 4.02Å; A662-L665 HydrophobicContact CB-CG 4.45Å; A662-L665 PolarHBondContact O-N 3.25Å; A662-L665 VanDerWaalsContact O-N 3.12Å; A662-Q666 PolarHBondContact O-N 3.24Å
663	P	95.7	Very high	96.7	Very high	14 Å²	14	14.4 Å²	14.4	9%	0.091	7%	0.065	C	C	.	.	H	α-helix	trans	-54.5	-34.4	-178.1	-28.3	35.4	0	0	0	114.7	K318 C321 Y322 L325 K661 Y667	K318-P663 HydrophobicContact CG-CG 4.28Å; C321-P663 HydrophobicContact CB-CB 4.33Å; C321-P663 WeakPolarHBondContact CB-O 3.47Å; Y322-P663 HydrophobicContact CD2-CG 4.15Å; L325-P663 HydrophobicContact CD1-CB 4.05Å; L325-P663 VanDerWaalsContact CD1-O 3.26Å; L325-P663 WeakPolarHBondContact CD1-O 3.28Å; K661-P663 WeakPolarHBondContact O-CD 3.33Å; P663-Y667 VanDerWaalsContact O-CB 3.32Å; P663-Y667 WeakPolarHBondContact O-CB 3.37Å; P663-Y667 PolarHBondContact O-N 3.08Å
664	V	96.7	Very high	96.7	Very high	3 Å²	3	14.5 Å²	14.5	2%	0.018	7%	0.065	C	C	.	.	H	α-helix	trans	-64.9	-49.9	177.9	-174.2	0	0	0	0	110.8	I312 I317 K318 C321 A662 Y667 L668	I312-V664 HydrophobicContact CG1-CB 4.23Å; I312-V664 HydrophobicContact CG1-CG1 4.41Å; I317-V664 HydrophobicContact CG2-CG1 4.14Å; I317-V664 HydrophobicContact CG2-CG2 4.08Å; K318-V664 HydrophobicContact CB-CG2 4.03Å; C321-V664 HydrophobicContact CB-CG2 4.4Å; A662-V664 PolarHBondContact O-N 2.89Å; A662-V664 VanDerWaalsContact O-N 3.14Å; V664-Y667 PolarHBondContact O-N 3.34Å; V664-L668 HydrophobicContact CG1-CD1 4.17Å; V664-L668 VanDerWaalsContact O-CG 3.31Å; V664-L668 WeakPolarHBondContact O-CG 3.39Å; V664-L668 PolarHBondContact O-N 3.22Å
665	L	97.9	Very high	96.7	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.005	7%	0.065	C	C	.	.	H	α-helix	trans	-63.4	-45.8	175.3	-76.4	168.8	0	0	0	111.5	I312 I640 L643 V644 F647 L659 A662 Y667 L668 Y669	I312-L665 HydrophobicContact CD1-CD1 3.59Å; I312-L665 HydrophobicContact CD1-CD2 3.95Å; I312-L665 HydrophobicContact CD1-CG 3.55Å; I312-L665 HydrophobicContact CG1-CD1 4.4Å; I312-L665 HydrophobicContact CG1-CG 4.02Å; I640-L665 HydrophobicContact CG2-CD1 3.86Å; L643-L665 HydrophobicContact CB-CD1 3.75Å; V644-L665 HydrophobicContact CG2-CD1 4.22Å; V644-L665 HydrophobicContact CG2-CD2 4.41Å; F647-L665 HydrophobicContact CB-CD2 4.2Å; F647-L665 HydrophobicContact CG-CD2 4.45Å; L659-L665 HydrophobicContact CD2-CB 3.61Å; A662-L665 HydrophobicContact CB-CB 4.09Å; A662-L665 HydrophobicContact CB-CD1 4.02Å; A662-L665 HydrophobicContact CB-CG 4.45Å; A662-L665 PolarHBondContact O-N 3.25Å; A662-L665 VanDerWaalsContact O-N 3.12Å; L665-Y667 VanDerWaalsContact C-N 3.27Å; L665-Y667 PolarHBondContact O-N 3.04Å; L665-L668 CarbonylContact O-C 3.58Å; L665-L668 WeakPolarHBondContact O-CA 3.37Å; L665-L668 WeakPolarHBondContact O-CB 2.74Å; L665-L668 PolarHBondContact O-N 3.45Å; L665-Y669 HydrophobicContact CD2-CE2 4.4Å; L665-Y669 VanDerWaalsContact O-CD2 3.26Å; L665-Y669 WeakPolarHBondContact O-CD2 3.46Å; L665-Y669 PolarHBondContact O-N 3.23Å
666	Q	98.4	Very high	96.9	Very high	3 Å²	3	14.4 Å²	14.4	1%	0.014	7%	0.065	C	C	.	.	H	α-helix	trans	-60.6	-37.5	-179.1	-164.7	-170.8	122.3	0	0	112.3	L325 L659 A662 Y670 Y698 R701 L703	L325-Q666 HydrophobicContact CD1-CB 3.92Å; L325-Q666 HydrophobicContact CD1-CG 4.28Å; L325-Q666 HydrophobicContact CD2-CG 4.26Å; L659-Q666 HydrophobicContact CB-CB 4.29Å; L659-Q666 HydrophobicContact CB-CG 4.33Å; L659-Q666 PolarHBondContact O-NE2 2.86Å; A662-Q666 PolarHBondContact O-N 3.24Å; Q666-Y670 WeakPolarHBondContact O-CB 3.23Å; Q666-Y670 PolarHBondContact O-N 3.2Å; Q666-Y698 HydrophobicContact CG-CE1 4.37Å; Q666-R701 VanDerWaalsContact OE1-CD 3.26Å; Q666-L703 HydrophobicContact CG-CD1 4.43Å; Q666-L703 HydrophobicContact CG-CD2 3.81Å
667	Y	98.6	Very high	97	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-70.7	-35.8	173.9	-171.1	-122.2	0	0	0	112.3	V190 F320 C321 R324 L325 L328 P663 V664 L665 Y670 L671 E796	V190-Y667 HydrophobicContact CG1-CE1 4.43Å; V190-Y667 HydrophobicContact CG2-CD1 4.46Å; F320-Y667 AromaticContact CE1-CE1 4Å; F320-Y667 HydrophobicContact CE1-CE1 4Å; C321-Y667 HydrophobicContact CB-CD1 4.17Å; C321-Y667 HydrophobicContact CB-CG 4.26Å; R324-Y667 HydrophobicContact CB-CD2 4.01Å; R324-Y667 HydrophobicContact CB-CE2 3.52Å; R324-Y667 HydrophobicContact CG-CE1 4.39Å; R324-Y667 HydrophobicContact CG-CE2 4.1Å; L325-Y667 HydrophobicContact CD2-CD2 4.22Å; L325-Y667 HydrophobicContact CG-CD2 4.31Å; L328-Y667 HydrophobicContact CD1-CE2 4.45Å; P663-Y667 VanDerWaalsContact O-CB 3.32Å; P663-Y667 WeakPolarHBondContact O-CB 3.37Å; P663-Y667 PolarHBondContact O-N 3.08Å; V664-Y667 PolarHBondContact O-N 3.34Å; L665-Y667 VanDerWaalsContact C-N 3.27Å; L665-Y667 PolarHBondContact O-N 3.04Å; Y667-Y670 HydrophobicContact CD2-CD1 4.21Å; Y667-Y670 HydrophobicContact CE2-CD1 4.22Å; Y667-Y670 WeakPolarHBondContact O-CB 3.4Å; Y667-Y670 PolarHBondContact O-N 3.47Å; Y667-L671 HydrophobicContact CD1-CD1 3.79Å; Y667-L671 HydrophobicContact CD1-CG 4.48Å; Y667-L671 HydrophobicContact CD2-CG 4.48Å; Y667-L671 HydrophobicContact CE1-CD1 3.46Å; Y667-L671 VanDerWaalsContact CE1-CD1 3.46Å; Y667-L671 HydrophobicContact CE1-CG 4.24Å; Y667-L671 HydrophobicContact CE2-CD1 4.32Å; Y667-L671 HydrophobicContact CE2-CD2 4.36Å; Y667-L671 HydrophobicContact CE2-CG 4.23Å; Y667-L671 HydrophobicContact CG-CD1 4.35Å; Y667-L671 WeakPolarHBondContact O-CB 3.21Å; Y667-L671 VanDerWaalsContact O-CG 3.31Å; Y667-L671 WeakPolarHBondContact O-CG 3.07Å; Y667-L671 PolarHBondContact O-N 3.36Å; Y667-E796 PolarHBondContact OH-OE2 3.11Å
668	L	98.6	Very high	97.1	Very high	3 Å²	3	14.3 Å²	14.3	2%	0.016	7%	0.065	C	C	.	.	H	α-helix	trans	-66.8	-40.2	172.3	-73.4	168.7	0	0	0	113.1	V190 A193 L194 F647 V664 L665 Y670 L671 A672	V190-L668 HydrophobicContact CG1-CD2 3.9Å; A193-L668 HydrophobicContact CB-CD1 3.78Å; A193-L668 HydrophobicContact CB-CD2 3.65Å; A193-L668 HydrophobicContact CB-CG 4.4Å; L194-L668 HydrophobicContact CD2-CD2 4.12Å; L194-L668 HydrophobicContact CG-CD2 4.09Å; F647-L668 HydrophobicContact CD2-CB 4.19Å; F647-L668 HydrophobicContact CE1-CD1 4.42Å; F647-L668 HydrophobicContact CE2-CB 3.6Å; F647-L668 HydrophobicContact CZ-CB 3.93Å; F647-L668 HydrophobicContact CZ-CD1 4.29Å; F647-L668 HydrophobicContact CZ-CD2 4.15Å; F647-L668 HydrophobicContact CZ-CG 4.36Å; V664-L668 HydrophobicContact CG1-CD1 4.17Å; V664-L668 VanDerWaalsContact O-CG 3.31Å; V664-L668 WeakPolarHBondContact O-CG 3.39Å; V664-L668 PolarHBondContact O-N 3.22Å; L665-L668 CarbonylContact O-C 3.58Å; L665-L668 WeakPolarHBondContact O-CA 3.37Å; L665-L668 WeakPolarHBondContact O-CB 2.74Å; L665-L668 PolarHBondContact O-N 3.45Å; L668-Y670 VanDerWaalsContact C-N 3.32Å; L668-L671 PolarHBondContact O-N 2.97Å; L668-A672 WeakPolarHBondContact O-CB 3.38Å; L668-A672 PolarHBondContact O-N 2.84Å
669	Y	98.5	Very high	97.2	Very high	1 Å²	1	13.6 Å²	13.6	0%	0.004	6%	0.061	C	C	.	.	H	α-helix	trans	-63.9	-37.9	173.5	-87.3	-113.2	0	0	0	111.4	L643 F647 I653 L659 L665 Q673 I674 I676	L643-Y669 PolarHBondContact O-OH 3.01Å; F647-Y669 HydrophobicContact CB-CE2 3.84Å; F647-Y669 AromaticContact CD2-CD2 3.96Å; F647-Y669 HydrophobicContact CD2-CD2 3.96Å; F647-Y669 AromaticContact CD2-CE2 3.91Å; F647-Y669 HydrophobicContact CD2-CE2 3.91Å; F647-Y669 HydrophobicContact CG-CE2 4.33Å; I653-Y669 HydrophobicContact CD1-CD1 4.5Å; I653-Y669 HydrophobicContact CD1-CE1 3.61Å; I653-Y669 HydrophobicContact CG1-CE1 4.01Å; I653-Y669 HydrophobicContact CG2-CE1 4.4Å; L659-Y669 HydrophobicContact CD1-CD1 3.86Å; L659-Y669 HydrophobicContact CD1-CD2 4.37Å; L659-Y669 HydrophobicContact CD1-CE1 4.08Å; L659-Y669 HydrophobicContact CD1-CG 4.02Å; L659-Y669 HydrophobicContact CD2-CD2 3.85Å; L659-Y669 HydrophobicContact CD2-CE2 3.86Å; L659-Y669 HydrophobicContact CD2-CG 4.29Å; L665-Y669 HydrophobicContact CD2-CE2 4.4Å; L665-Y669 VanDerWaalsContact O-CD2 3.26Å; L665-Y669 WeakPolarHBondContact O-CD2 3.46Å; L665-Y669 PolarHBondContact O-N 3.23Å; Y669-Q673 WeakPolarHBondContact O-CA 3.42Å; Y669-Q673 PolarHBondContact O-N 3.37Å; Y669-I674 HydrophobicContact CD1-CB 3.64Å; Y669-I674 HydrophobicContact CD1-CD1 3.9Å; Y669-I674 HydrophobicContact CD1-CG1 4.27Å; Y669-I674 HydrophobicContact CD1-CG2 3.77Å; Y669-I674 HydrophobicContact CD2-CD1 4.08Å; Y669-I674 HydrophobicContact CE1-CB 4.13Å; Y669-I674 HydrophobicContact CE1-CD1 4.09Å; Y669-I674 HydrophobicContact CE1-CG2 3.73Å; Y669-I674 HydrophobicContact CE2-CD1 4.31Å; Y669-I674 HydrophobicContact CG-CB 4.22Å; Y669-I674 HydrophobicContact CG-CD1 3.89Å; Y669-I674 HydrophobicContact CG-CG1 4.44Å; Y669-I674 PolarHBondContact O-N 3.26Å; Y669-I676 HydrophobicContact CD1-CD1 4.03Å; Y669-I676 HydrophobicContact CD1-CG1 4.13Å
670	Y	98.8	Very high	97.3	Very high	5 Å²	5	13.6 Å²	13.6	2%	0.02	6%	0.061	C	C	.	.	H	α-helix	trans	-62.6	-53.2	170.5	169.2	-96.3	0	0	0	112.1	L328 Q666 Y667 L668 A672 Q673 R701 G702 L703 L793 E796	L328-Y670 HydrophobicContact CD1-CD1 3.86Å; L328-Y670 HydrophobicContact CD1-CD2 4.18Å; L328-Y670 HydrophobicContact CD1-CE1 3.73Å; L328-Y670 HydrophobicContact CD1-CE2 4.03Å; L328-Y670 HydrophobicContact CD1-CG 4.09Å; L328-Y670 HydrophobicContact CD2-CE1 4.34Å; L328-Y670 HydrophobicContact CD2-CE2 4.37Å; Q666-Y670 WeakPolarHBondContact O-CB 3.23Å; Q666-Y670 PolarHBondContact O-N 3.2Å; Y667-Y670 HydrophobicContact CD2-CD1 4.21Å; Y667-Y670 HydrophobicContact CE2-CD1 4.22Å; Y667-Y670 WeakPolarHBondContact O-CB 3.4Å; Y667-Y670 PolarHBondContact O-N 3.47Å; L668-Y670 VanDerWaalsContact C-N 3.32Å; Y670-A672 PolarHBondContact O-N 2.82Å; Y670-Q673 WeakPolarHBondContact O-CG 3.43Å; Y670-Q673 PolarHBondContact O-N 2.83Å; Y670-Q673 VanDerWaalsContact O-N 3.09Å; Y670-Q673 PolarHBondContact O-NE2 3.24Å; Y670-R701 WeakPolarHBondContact CD2-O 3.38Å; Y670-R701 WeakPolarHBondContact CE2-O 3.33Å; Y670-G702 WeakPolarHBondContact CD2-O 3.44Å; Y670-L703 HydrophobicContact CD2-CD1 4.31Å; Y670-L793 HydrophobicContact CE1-CD1 3.88Å; Y670-L793 VanDerWaalsContact OH-CA 3.3Å; Y670-L793 WeakPolarHBondContact OH-CA 3.26Å; Y670-L793 PolarHBondContact OH-N 3.12Å; Y670-E796 HydrophobicContact CE1-CB 4.02Å; Y670-E796 HydrophobicContact CE1-CG 3.74Å
671	L	98.6	Very high	97.4	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-67.5	-32	-176	-72.6	174.6	0	0	0	113.6	V190 L194 T212 Y667 L668 L793 E796 L797 I800	V190-L671 HydrophobicContact CG1-CD1 3.39Å; L194-L671 HydrophobicContact CD1-CB 4.24Å; L194-L671 HydrophobicContact CD1-CD1 4.3Å; L194-L671 HydrophobicContact CD2-CB 4.13Å; T212-L671 VanDerWaalsContact CG2-O 3.29Å; T212-L671 WeakPolarHBondContact CG2-O 3.38Å; T212-L671 PolarHBondContact OG1-O 2.84Å; Y667-L671 HydrophobicContact CD1-CD1 3.79Å; Y667-L671 HydrophobicContact CD1-CG 4.48Å; Y667-L671 HydrophobicContact CD2-CG 4.48Å; Y667-L671 HydrophobicContact CE1-CD1 3.46Å; Y667-L671 VanDerWaalsContact CE1-CD1 3.46Å; Y667-L671 HydrophobicContact CE1-CG 4.24Å; Y667-L671 HydrophobicContact CE2-CD1 4.32Å; Y667-L671 HydrophobicContact CE2-CD2 4.36Å; Y667-L671 HydrophobicContact CE2-CG 4.23Å; Y667-L671 HydrophobicContact CG-CD1 4.35Å; Y667-L671 WeakPolarHBondContact O-CB 3.21Å; Y667-L671 VanDerWaalsContact O-CG 3.31Å; Y667-L671 WeakPolarHBondContact O-CG 3.07Å; Y667-L671 PolarHBondContact O-N 3.36Å; L668-L671 PolarHBondContact O-N 2.97Å; L671-L793 HydrophobicContact CD2-CD1 4.47Å; L671-E796 HydrophobicContact CD2-CB 3.81Å; L671-L797 HydrophobicContact CB-CD2 4.43Å; L671-L797 HydrophobicContact CD2-CD2 3.87Å; L671-L797 HydrophobicContact CD2-CG 4.1Å; L671-I800 HydrophobicContact CD1-CD1 3.81Å
672	A	97.9	Very high	97.5	Very high	4 Å²	4	5 Å²	5	3%	0.033	3%	0.027	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-4.2	173.6	0	0	0	0	0	113.5	L194 F208 C209 F647 L668 Y670 I674	L194-A672 HydrophobicContact CD2-CB 3.9Å; F208-A672 HydrophobicContact CE2-CB 4.29Å; C209-A672 WeakPolarHBondContact CB-O 3.34Å; F647-A672 HydrophobicContact CE2-CB 4.39Å; L668-A672 WeakPolarHBondContact O-CB 3.38Å; L668-A672 PolarHBondContact O-N 2.84Å; Y670-A672 PolarHBondContact O-N 2.82Å; A672-I674 VanDerWaalsContact C-N 3.35Å; A672-I674 HydrophobicContact CB-CD1 4.14Å; A672-I674 HydrophobicContact CB-CG1 3.81Å; A672-I674 PolarHBondContact O-N 2.8Å
673	Q	98.2	Very high	97.5	Very high	43 Å²	43	4.9 Å²	4.9	20%	0.201	3%	0.026	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.6	49.5	-177.3	-70.6	-74	-73.9	0	0	113.2	C209 Y669 Y670 G702 M704 L793	C209-Q673 HydrophobicContact CB-CB 4.2Å; Y669-Q673 WeakPolarHBondContact O-CA 3.42Å; Y669-Q673 PolarHBondContact O-N 3.37Å; Y670-Q673 WeakPolarHBondContact O-CG 3.43Å; Y670-Q673 PolarHBondContact O-N 2.83Å; Y670-Q673 VanDerWaalsContact O-N 3.09Å; Y670-Q673 PolarHBondContact O-NE2 3.24Å; Q673-G702 PolarHBondContact NE2-O 3Å; Q673-M704 HydrophobicContact CB-CE 4.24Å; Q673-L793 HydrophobicContact CG-CD1 4.42Å; Q673-L793 HydrophobicContact CG-CD2 3.58Å
674	I	98.4	Very high	97.3	Very high	3 Å²	3	7 Å²	7	2%	0.015	4%	0.037	C	C	.	.			trans	-74.9	134.7	-179.4	-53	-179.4	0	0	0	109.8	R197 F647 Y669 A672	R197-I674 VanDerWaalsContact CZ-CD1 3.49Å; F647-I674 HydrophobicContact CD2-CD1 3.49Å; F647-I674 VanDerWaalsContact CD2-CD1 3.49Å; F647-I674 HydrophobicContact CE2-CD1 3.8Å; Y669-I674 HydrophobicContact CD1-CB 3.64Å; Y669-I674 HydrophobicContact CD1-CD1 3.9Å; Y669-I674 HydrophobicContact CD1-CG1 4.27Å; Y669-I674 HydrophobicContact CD1-CG2 3.77Å; Y669-I674 HydrophobicContact CD2-CD1 4.08Å; Y669-I674 HydrophobicContact CE1-CB 4.13Å; Y669-I674 HydrophobicContact CE1-CD1 4.09Å; Y669-I674 HydrophobicContact CE1-CG2 3.73Å; Y669-I674 HydrophobicContact CE2-CD1 4.31Å; Y669-I674 HydrophobicContact CG-CB 4.22Å; Y669-I674 HydrophobicContact CG-CD1 3.89Å; Y669-I674 HydrophobicContact CG-CG1 4.44Å; Y669-I674 PolarHBondContact O-N 3.26Å; A672-I674 VanDerWaalsContact C-N 3.35Å; A672-I674 HydrophobicContact CB-CD1 4.14Å; A672-I674 HydrophobicContact CB-CG1 3.81Å; A672-I674 PolarHBondContact O-N 2.8Å
675	G	98.2	Very high	96.7	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	135.1	176.7	0	0	0	0	0	112.7	N652 I653 M704	N652-G675 CarbonylContact C-O 3.59Å; N652-G675 VanDerWaalsContact CA-O 3.26Å; N652-G675 WeakPolarHBondContact CA-O 3.33Å; N652-G675 WeakPolarHBondContact CB-O 3.44Å; N652-G675 WeakPolarHBondContact OD1-CA 3.35Å; N652-G675 PolarHBondContact OD1-N 2.75Å; I653-G675 PolarHBondContact N-O 2.98Å; G675-M704 WeakPolarHBondContact CA-O 3.29Å
676	I	98.7	Very high	95.9	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	108.8	175	-51.9	172.6	0	0	0	108.4	I653 L659 Y669 M678 Y698 L703 M704 V705 S706	I653-I676 HydrophobicContact CD1-CG1 4.35Å; I653-I676 HydrophobicContact CD1-CG2 4.37Å; I653-I676 HydrophobicContact CG1-CB 4.38Å; I653-I676 HydrophobicContact CG1-CG1 4.07Å; I653-I676 HydrophobicContact CG1-CG2 4.15Å; I653-I676 WeakPolarHBondContact O-CA 3.18Å; L659-I676 HydrophobicContact CD1-CD1 3.66Å; Y669-I676 HydrophobicContact CD1-CD1 4.03Å; Y669-I676 HydrophobicContact CD1-CG1 4.13Å; I676-M678 HydrophobicContact CG2-CG 3.69Å; I676-M678 HydrophobicContact CG2-SD 4.23Å; I676-Y698 HydrophobicContact CD1-CD2 4.32Å; I676-L703 HydrophobicContact CD1-CD2 3.9Å; I676-M704 PolarHBondContact N-O 3Å; I676-V705 HydrophobicContact CB-CG1 4.19Å; I676-V705 WeakPolarHBondContact O-CA 3.36Å; I676-S706 PolarHBondContact O-N 3Å
677	A	98.4	Very high	95	Very high	3 Å²	3	9.8 Å²	9.8	3%	0.025	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	117	173.4	0	0	0	0	0	109.7	T363 H364 I653 S654 H655 S706	T363-A677 WeakPolarHBondContact OG1-CB 3.22Å; H364-A677 HydrophobicContact CB-CB 3.94Å; I653-A677 PolarHBondContact O-N 3.43Å; S654-A677 CarbonylContact C-O 3.55Å; S654-A677 WeakPolarHBondContact CA-O 3.3Å; H655-A677 PolarHBondContact N-O 3.42Å; A677-S706 WeakPolarHBondContact CA-OG 3.37Å
678	M	98.3	Very high	94.4	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	134.6	-174	-61.1	-170.8	73.5	0	0	111.4	L657 I676 P680 N693 P694 L695 Y698 V705 S706 L707 S708	L657-M678 HydrophobicContact CD2-CE 4.03Å; I676-M678 HydrophobicContact CG2-CG 3.69Å; I676-M678 HydrophobicContact CG2-SD 4.23Å; M678-P680 VanDerWaalsContact O-CD 3.27Å; M678-P680 WeakPolarHBondContact O-CD 3.21Å; M678-N693 WeakPolarHBondContact CE-OD1 3.41Å; M678-P694 HydrophobicContact CE-CG 4.06Å; M678-L695 HydrophobicContact CB-CD1 3.84Å; M678-L695 HydrophobicContact CB-CG 4.49Å; M678-L695 HydrophobicContact CE-CB 3.91Å; M678-L695 HydrophobicContact SD-CB 3.72Å; M678-L695 HydrophobicContact SD-CD1 4.28Å; M678-L695 HydrophobicContact SD-CG 3.9Å; M678-Y698 HydrophobicContact CE-CD2 4.18Å; M678-Y698 HydrophobicContact CE-CE2 4.03Å; M678-Y698 HydrophobicContact SD-CD2 3.71Å; M678-Y698 HydrophobicContact SD-CE2 4.08Å; M678-V705 HydrophobicContact SD-CB 4.47Å; M678-V705 HydrophobicContact SD-CG1 3.79Å; M678-S706 PolarHBondContact N-O 2.92Å; M678-L707 CarbonylContact O-C 3.14Å; M678-L707 WeakPolarHBondContact O-CA 3.16Å; M678-S708 PolarHBondContact N-OG 3.15Å; M678-S708 PolarHBondContact O-N 3.03Å; M678-S708 PolarHBondContact O-OG 3.41Å; M678-S708 VanDerWaalsContact O-OG 3.06Å
679	S	97.8	Very high	93.9	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	8%	0.075	C	C	.	.			trans	-119.8	77.4	-178.6	-51.4	0	0	0	0	112	L681 S682 N683 S708	S679-L681 PolarHBondContact O-N 2.99Å; S679-S682 WeakPolarHBondContact O-CB 3.32Å; S679-S682 PolarHBondContact O-N 3.08Å; S679-N683 PolarHBondContact O-N 3.14Å; S679-N683 PolarHBondContact O-OD1 3.31Å; S679-N683 VanDerWaalsContact O-OD1 3.14Å; S679-S708 WeakPolarHBondContact CA-O 3.32Å; S679-S708 WeakPolarHBondContact CB-O 3.41Å; S679-S708 PolarHBondContact OG-O 3.11Å; S679-S708 PolarHBondContact OG-OG 3.2Å
680	P	97.1	Very high	93.6	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-54.3	-34.6	-171.4	-30.5	36.9	0	0	0	117.4	M678 N684 Y690 L695 L707 E725 W733	M678-P680 VanDerWaalsContact O-CD 3.27Å; M678-P680 WeakPolarHBondContact O-CD 3.21Å; P680-N684 WeakPolarHBondContact O-CB 3.26Å; P680-N684 PolarHBondContact O-N 2.93Å; P680-Y690 HydrophobicContact CB-CD2 3.97Å; P680-Y690 HydrophobicContact CB-CE1 4.43Å; P680-Y690 HydrophobicContact CB-CE2 3.32Å; P680-L695 HydrophobicContact CG-CD1 3.85Å; P680-L707 HydrophobicContact CG-CD2 3.65Å; P680-E725 VanDerWaalsContact CD-OE1 3.27Å; P680-E725 WeakPolarHBondContact CD-OE1 3.46Å; P680-E725 VanDerWaalsContact N-OE1 3.09Å; P680-W733 HydrophobicContact CB-CH2 3.81Å; P680-W733 HydrophobicContact CB-CZ2 4.43Å; P680-W733 HydrophobicContact CG-CH2 3.57Å; P680-W733 HydrophobicContact CG-CZ3 4.23Å
681	L	95.5	Very high	93.2	Very high	20 Å²	20	21.3 Å²	21.3	11%	0.105	11%	0.111	C	C	.	.	H	α-helix	trans	-71.7	-38	178.6	-69.3	173.3	0	0	0	112.2	S679 S685 Y690 F715 E724 E725 I728	S679-L681 PolarHBondContact O-N 2.99Å; L681-S685 WeakPolarHBondContact O-CB 3.39Å; L681-S685 PolarHBondContact O-N 3.14Å; L681-S685 VanDerWaalsContact O-N 3.15Å; L681-S685 PolarHBondContact O-OG 3.3Å; L681-Y690 HydrophobicContact CD2-CD2 4.12Å; L681-Y690 HydrophobicContact CD2-CE2 3.73Å; L681-Y690 HydrophobicContact CG-CE2 4.07Å; L681-F715 HydrophobicContact CB-CB 4.44Å; L681-E724 HydrophobicContact CD1-CG 4.48Å; L681-E725 VanDerWaalsContact CB-OE1 3.31Å; L681-E725 WeakPolarHBondContact CB-OE1 3.41Å; L681-E725 HydrophobicContact CD1-CG 3.9Å; L681-E725 HydrophobicContact CG-CG 4.29Å; L681-E725 WeakPolarHBondContact CG-OE1 3.35Å; L681-E725 PolarHBondContact N-OE1 2.9Å; L681-I728 HydrophobicContact CD1-CD1 4.08Å; L681-I728 HydrophobicContact CD2-CD1 3.98Å; L681-I728 HydrophobicContact CD2-CG2 4.41Å
682	S	94.4	Very high	92.9	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-63.5	-54.3	169.7	172.7	0	0	0	0	110.3	S679 N684 S685 L686 D710 F715	S679-S682 WeakPolarHBondContact O-CB 3.32Å; S679-S682 PolarHBondContact O-N 3.08Å; S682-N684 PolarHBondContact O-N 2.97Å; S682-N684 VanDerWaalsContact O-N 3.16Å; S682-S685 WeakPolarHBondContact O-CA 3.47Å; S682-S685 WeakPolarHBondContact O-CB 3.18Å; S682-S685 PolarHBondContact O-N 3.36Å; S682-L686 PolarHBondContact O-N 3.44Å; S682-D710 WeakPolarHBondContact CB-OD2 3.24Å; S682-D710 PolarHBondContact OG-OD2 2.87Å; S682-F715 VanDerWaalsContact OG-CE2 3.28Å; S682-F715 WeakPolarHBondContact OG-CE2 3.41Å; S682-F715 WeakPolarHBondContact OG-CZ 3.45Å
683	N	92.9	Very high	92.8	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-56.1	-40.3	180	-51.3	144.5	0	0	0	111.3	E636 H655 L657 S679 S685 L686 F687 L688 N693	E636-N683 PolarHBondContact OE1-ND2 2.81Å; H655-N683 PolarHBondContact ND1-ND2 2.74Å; L657-N683 HydrophobicContact CD1-CB 4.02Å; L657-N683 HydrophobicContact CD2-CB 4.43Å; S679-N683 PolarHBondContact O-N 3.14Å; S679-N683 PolarHBondContact O-OD1 3.31Å; S679-N683 VanDerWaalsContact O-OD1 3.14Å; N683-S685 VanDerWaalsContact C-N 3.32Å; N683-S685 PolarHBondContact O-N 3.3Å; N683-L686 PolarHBondContact O-N 3.25Å; N683-F687 PolarHBondContact O-N 3.31Å; N683-L688 CarbonylContact C-O 3.55Å; N683-L688 PolarHBondContact O-N 3.25Å; N683-N693 PolarHBondContact OD1-ND2 3.23Å
684	N	91.4	Very high	92.7	Very high	59 Å²	59	24 Å²	24	32%	0.316	12%	0.12	S	C	.	.	H	α-helix	trans	-63.5	-33.4	175.6	173	81.5	0	0	0	113.7	P680 S682 L688 S689 Y690	P680-N684 WeakPolarHBondContact O-CB 3.26Å; P680-N684 PolarHBondContact O-N 2.93Å; S682-N684 PolarHBondContact O-N 2.97Å; S682-N684 VanDerWaalsContact O-N 3.16Å; N684-L688 VanDerWaalsContact CA-O 3.24Å; N684-L688 WeakPolarHBondContact CA-O 3.47Å; N684-L688 PolarHBondContact N-O 3.47Å; N684-S689 WeakPolarHBondContact OD1-CA 3.14Å; N684-Y690 HydrophobicContact CB-CD2 4.05Å; N684-Y690 PolarHBondContact OD1-N 3.19Å
685	S	85	Confident	92.7	Very high	27 Å²	27	23.8 Å²	23.8	19%	0.189	12%	0.119	C	C	.	.	H	α-helix	trans	-82.2	-28.4	-179.6	-56.8	0	0	0	0	112.8	F430 L681 S682 N683	F430-S685 VanDerWaalsContact CA-O 3.29Å; F430-S685 WeakPolarHBondContact CA-O 3.43Å; F430-S685 PolarHBondContact N-O 3.46Å; L681-S685 WeakPolarHBondContact O-CB 3.39Å; L681-S685 PolarHBondContact O-N 3.14Å; L681-S685 VanDerWaalsContact O-N 3.15Å; L681-S685 PolarHBondContact O-OG 3.3Å; S682-S685 WeakPolarHBondContact O-CA 3.47Å; S682-S685 WeakPolarHBondContact O-CB 3.18Å; S682-S685 PolarHBondContact O-N 3.36Å; N683-S685 VanDerWaalsContact C-N 3.32Å; N683-S685 PolarHBondContact O-N 3.3Å
686	L	80.2	Confident	92.6	Very high	5 Å²	5	25.7 Å²	25.7	3%	0.026	13%	0.131	C	C	.	.	H	α-helix	trans	-107.7	-40	-173.2	-60.5	-174.3	0	0	0	115.3	T429 H431 F433 F436 S682 N683 F715	T429-L686 HydrophobicContact CG2-CD2 3.71Å; H431-L686 PolarHBondContact N-O 3.18Å; H431-L686 PolarHBondContact ND1-O 3.48Å; F433-L686 HydrophobicContact CE2-CD1 4.47Å; F436-L686 HydrophobicContact CB-CD2 3.94Å; F436-L686 HydrophobicContact CD1-CD1 4.46Å; F436-L686 HydrophobicContact CD2-CD1 4.3Å; F436-L686 HydrophobicContact CD2-CD2 3.94Å; F436-L686 HydrophobicContact CE2-CD1 4.38Å; F436-L686 HydrophobicContact CG-CD1 4.35Å; F436-L686 HydrophobicContact CG-CD2 3.97Å; F436-L686 HydrophobicContact CZ-CD1 4.49Å; S682-L686 PolarHBondContact O-N 3.44Å; N683-L686 PolarHBondContact O-N 3.25Å; L686-F715 HydrophobicContact CD1-CZ 4.02Å; L686-F715 HydrophobicContact CD2-CE1 4.41Å; L686-F715 HydrophobicContact CD2-CZ 4.35Å; L686-F715 HydrophobicContact CG-CE1 4.29Å; L686-F715 HydrophobicContact CG-CZ 4.04Å
687	F	80.2	Confident	92.6	Very high	32 Å²	32	28.5 Å²	28.5	14%	0.14	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-138.3	-34.9	-162.9	-63.5	-73.6	0	0	0	116.8	H431 F433 E636 A637 L657 N683	H431-F687 PolarHBondContact CE1-O 3.3Å; H431-F687 VanDerWaalsContact CE1-O 3.24Å; F433-F687 HydrophobicContact CD2-CE2 4.46Å; F433-F687 AromaticContact CD2-CZ 3.95Å; F433-F687 HydrophobicContact CD2-CZ 3.95Å; F433-F687 HydrophobicContact CE2-CZ 4.37Å; E636-F687 HydrophobicContact CG-CD2 3.52Å; E636-F687 HydrophobicContact CG-CE2 3.73Å; E636-F687 HydrophobicContact CG-CG 4.22Å; E636-F687 WeakPolarHBondContact OE1-CD2 3.2Å; E636-F687 WeakPolarHBondContact OE2-CE2 3.48Å; A637-F687 HydrophobicContact CB-CD1 4.11Å; A637-F687 HydrophobicContact CB-CE1 3.73Å; A637-F687 HydrophobicContact CB-CZ 4.19Å; L657-F687 HydrophobicContact CD1-CB 4.49Å; N683-F687 PolarHBondContact O-N 3.31Å
688	L	86	Confident	92.6	Very high	22 Å²	22	28.3 Å²	28.3	12%	0.115	14%	0.143	C	C	.	.	S	Bend	trans	-156	112	-164.4	-177.5	65.5	0	0	0	111.6	L657 N683 N684 R692	L657-L688 HydrophobicContact CD1-CB 4.34Å; L657-L688 HydrophobicContact CD1-CD2 4.29Å; L657-L688 HydrophobicContact CD2-CD2 4.2Å; N683-L688 CarbonylContact C-O 3.55Å; N683-L688 PolarHBondContact O-N 3.25Å; N684-L688 VanDerWaalsContact CA-O 3.24Å; N684-L688 WeakPolarHBondContact CA-O 3.47Å; N684-L688 PolarHBondContact N-O 3.47Å; L688-R692 HydrophobicContact CD1-CB 3.63Å; L688-R692 HydrophobicContact CG-CB 4.06Å
689	S	87.8	Confident	92.6	Very high	54 Å²	54	28.6 Å²	28.6	38%	0.378	15%	0.145	S	C	.	.			trans	-51.8	141.3	-177.9	57.9	0	0	0	0	113.4	N684 H691 R692 N693	N684-S689 WeakPolarHBondContact OD1-CA 3.14Å; S689-H691 VanDerWaalsContact C-N 3.28Å; S689-H691 PolarHBondContact O-N 3.24Å; S689-H691 VanDerWaalsContact O-N 3.07Å; S689-R692 WeakPolarHBondContact O-CA 3.29Å; S689-R692 PolarHBondContact O-N 3.45Å; S689-N693 PolarHBondContact O-N 3.17Å
690	Y	91.8	Very high	92.6	Very high	17 Å²	17	29.3 Å²	29.3	7%	0.067	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-51.2	-41.3	-166	-155.7	-81.2	0	0	0	114.1	P680 L681 N684 R692 N693 E725 I728 A729 V732 W733	P680-Y690 HydrophobicContact CB-CD2 3.97Å; P680-Y690 HydrophobicContact CB-CE1 4.43Å; P680-Y690 HydrophobicContact CB-CE2 3.32Å; L681-Y690 HydrophobicContact CD2-CD2 4.12Å; L681-Y690 HydrophobicContact CD2-CE2 3.73Å; L681-Y690 HydrophobicContact CG-CE2 4.07Å; N684-Y690 HydrophobicContact CB-CD2 4.05Å; N684-Y690 PolarHBondContact OD1-N 3.19Å; Y690-R692 VanDerWaalsContact C-N 3.25Å; Y690-R692 PolarHBondContact O-N 2.99Å; Y690-N693 WeakPolarHBondContact O-CB 3.28Å; Y690-N693 PolarHBondContact O-N 2.91Å; Y690-N693 VanDerWaalsContact O-N 3.17Å; Y690-E725 PolarHBondContact OH-OE2 3.32Å; Y690-I728 HydrophobicContact CE1-CG2 4.16Å; Y690-I728 HydrophobicContact CE2-CG2 4.02Å; Y690-A729 WeakPolarHBondContact OH-CA 3.34Å; Y690-A729 PolarHBondContact OH-N 3.24Å; Y690-V732 HydrophobicContact CD1-CB 4.21Å; Y690-V732 HydrophobicContact CD1-CG1 3.76Å; Y690-V732 HydrophobicContact CD1-CG2 4.4Å; Y690-V732 HydrophobicContact CE1-CB 4.01Å; Y690-V732 HydrophobicContact CE1-CG1 4.04Å; Y690-V732 HydrophobicContact CE1-CG2 4.28Å; Y690-W733 AromaticContact CD1-CE2 3.85Å; Y690-W733 HydrophobicContact CD1-CH2 4.42Å; Y690-W733 AromaticContact CD1-CZ2 3.61Å; Y690-W733 HydrophobicContact CD1-CZ2 3.61Å; Y690-W733 AromaticContact CD1-NE1 3.98Å; Y690-W733 HydrophobicContact CE1-CD2 4.17Å; Y690-W733 AromaticContact CE1-CE2 3.54Å; Y690-W733 HydrophobicContact CE1-CE3 4.48Å; Y690-W733 AromaticContact CE1-CH2 3.71Å; Y690-W733 HydrophobicContact CE1-CH2 3.71Å; Y690-W733 AromaticContact CE1-CZ2 3.27Å; Y690-W733 HydrophobicContact CE1-CZ2 3.27Å; Y690-W733 HydrophobicContact CE1-CZ3 4.28Å; Y690-W733 AromaticContact CZ-CH2 3.95Å; Y690-W733 AromaticContact CZ-CZ2 3.96Å
691	H	90.8	Very high	92.6	Very high	158 Å²	158	29.9 Å²	29.9	73%	0.731	15%	0.152	S	C	*	.	G	3₁₀ helix	trans	-68.3	-16.9	177.8	-63.1	-65.6	0	0	0	114.8	S689 V732	S689-H691 VanDerWaalsContact C-N 3.28Å; S689-H691 PolarHBondContact O-N 3.24Å; S689-H691 VanDerWaalsContact O-N 3.07Å; H691-V732 WeakPolarHBondContact ND1-CG1 3.43Å
692	R	91.4	Very high	92.8	Very high	93 Å²	93	29.2 Å²	29.2	35%	0.351	15%	0.15	S	C	.	.	G	3₁₀ helix	trans	-96.5	-5.1	173.5	-65.1	-176.6	80.8	-165.1	7	112.8	E99 R660 L688 S689 Y690	E99-R692 IonicContact OE1-NH2 2.79Å; E99-R692 PolarHBondContact OE1-NH2 3.21Å; R660-R692 PolarHBondContact NH1-O 3.26Å; L688-R692 HydrophobicContact CD1-CB 3.63Å; L688-R692 HydrophobicContact CG-CB 4.06Å; S689-R692 WeakPolarHBondContact O-CA 3.29Å; S689-R692 PolarHBondContact O-N 3.45Å; Y690-R692 VanDerWaalsContact C-N 3.25Å; Y690-R692 PolarHBondContact O-N 2.99Å
693	N	96.1	Very high	93	Very high	7 Å²	7	29.4 Å²	29.4	4%	0.037	15%	0.151	C	C	.	.			trans	-62.8	131.8	178.3	-171.2	-60.2	0	0	0	110.2	M678 N683 S689 Y690 L695 P696 W733	M678-N693 WeakPolarHBondContact CE-OD1 3.41Å; N683-N693 PolarHBondContact OD1-ND2 3.23Å; S689-N693 PolarHBondContact O-N 3.17Å; Y690-N693 WeakPolarHBondContact O-CB 3.28Å; Y690-N693 PolarHBondContact O-N 2.91Å; Y690-N693 VanDerWaalsContact O-N 3.17Å; N693-L695 VanDerWaalsContact C-N 3.31Å; N693-L695 PolarHBondContact O-N 3.41Å; N693-L695 WeakPolarHBondContact OD1-CB 3.41Å; N693-L695 PolarHBondContact OD1-N 2.68Å; N693-P696 WeakPolarHBondContact O-CD 3.2Å; N693-W733 HydrophobicContact CB-CZ2 4.01Å
694	P	96.9	Very high	93.2	Very high	3 Å²	3	31 Å²	31	2%	0.019	16%	0.159	C	C	.	.	S	Bend	trans	-82.6	2.1	-171.3	34	-35.7	0	0	0	114.8	L657 R660 M678 E697 Y698	L657-P694 HydrophobicContact CD2-CG 4.26Å; R660-P694 HydrophobicContact CB-CB 4.4Å; M678-P694 HydrophobicContact CE-CG 4.06Å; P694-E697 WeakPolarHBondContact O-CA 3.44Å; P694-E697 VanDerWaalsContact O-CB 3.32Å; P694-E697 WeakPolarHBondContact O-CB 3.31Å; P694-E697 PolarHBondContact O-N 3.14Å; P694-Y698 HydrophobicContact CB-CD1 4.07Å; P694-Y698 HydrophobicContact CB-CE1 3.58Å; P694-Y698 HydrophobicContact CB-CE2 4.31Å; P694-Y698 HydrophobicContact CG-CE1 3.98Å; P694-Y698 HydrophobicContact CG-CE2 3.91Å; P694-Y698 WeakPolarHBondContact CG-OH 3.4Å; P694-Y698 PolarHBondContact O-N 3.32Å
695	L	97.8	Very high	93.5	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-49.6	-46.7	-179.9	-171.4	166.4	0	0	0	113.9	M678 P680 N693 E697 Y698 L699 L707 W733 L743	M678-L695 HydrophobicContact CB-CD1 3.84Å; M678-L695 HydrophobicContact CB-CG 4.49Å; M678-L695 HydrophobicContact CE-CB 3.91Å; M678-L695 HydrophobicContact SD-CB 3.72Å; M678-L695 HydrophobicContact SD-CD1 4.28Å; M678-L695 HydrophobicContact SD-CG 3.9Å; P680-L695 HydrophobicContact CG-CD1 3.85Å; N693-L695 VanDerWaalsContact C-N 3.31Å; N693-L695 PolarHBondContact O-N 3.41Å; N693-L695 WeakPolarHBondContact OD1-CB 3.41Å; N693-L695 PolarHBondContact OD1-N 2.68Å; L695-E697 VanDerWaalsContact C-N 3.27Å; L695-E697 PolarHBondContact O-N 3.5Å; L695-Y698 PolarHBondContact O-N 3.15Å; L695-L699 WeakPolarHBondContact O-CB 3.31Å; L695-L699 PolarHBondContact O-N 3.34Å; L695-L707 HydrophobicContact CD1-CD2 3.41Å; L695-L707 VanDerWaalsContact CD1-CD2 3.41Å; L695-L707 HydrophobicContact CD1-CG 4Å; L695-W733 HydrophobicContact CB-CH2 4.06Å; L695-W733 HydrophobicContact CB-CZ3 4.22Å; L695-W733 HydrophobicContact CD1-CH2 4.27Å; L695-W733 HydrophobicContact CD1-CZ3 4.07Å; L695-W733 HydrophobicContact CD2-CZ3 3.95Å; L695-W733 HydrophobicContact CG-CZ3 4.32Å; L695-L743 HydrophobicContact CD2-CD1 4.49Å; L695-L743 HydrophobicContact CD2-CD2 4.25Å
696	P	97.3	Very high	94.2	Very high	40 Å²	40	26.9 Å²	26.9	26%	0.26	14%	0.135	S	C	.	.	H	α-helix	trans	-64.6	-30.5	178.2	-21.8	35.3	0	0	0	113.5	N693 S700 W733	N693-P696 WeakPolarHBondContact O-CD 3.2Å; P696-S700 WeakPolarHBondContact O-CB 3.28Å; P696-S700 PolarHBondContact O-N 3.19Å; P696-W733 HydrophobicContact CB-CG 4.47Å; P696-W733 HydrophobicContact CG-CB 4.01Å; P696-W733 HydrophobicContact CG-CD2 3.32Å; P696-W733 HydrophobicContact CG-CE3 3.71Å; P696-W733 HydrophobicContact CG-CG 3.46Å; P696-W733 VanDerWaalsContact CG-CG 3.46Å; P696-W733 HydrophobicContact CG-CH2 4.47Å; P696-W733 HydrophobicContact CG-CZ2 4.19Å; P696-W733 HydrophobicContact CG-CZ3 4.26Å
697	E	97.1	Very high	95	Very high	58 Å²	58	26.7 Å²	26.7	27%	0.271	13%	0.133	S	C	.	.	H	α-helix	trans	-76.9	-37.8	179.2	-166	-168.7	177	0	0	111.2	P694 L695 S700 R701	P694-E697 WeakPolarHBondContact O-CA 3.44Å; P694-E697 VanDerWaalsContact O-CB 3.32Å; P694-E697 WeakPolarHBondContact O-CB 3.31Å; P694-E697 PolarHBondContact O-N 3.14Å; L695-E697 VanDerWaalsContact C-N 3.27Å; L695-E697 PolarHBondContact O-N 3.5Å; E697-S700 PolarHBondContact O-OG 3.14Å; E697-R701 WeakPolarHBondContact O-CB 3.2Å; E697-R701 VanDerWaalsContact O-CG 3.28Å; E697-R701 WeakPolarHBondContact O-CG 3.46Å; E697-R701 PolarHBondContact O-N 3.23Å; E697-R701 VanDerWaalsContact O-N 3.16Å; E697-R701 IonicContact OE1-CZ 3.56Å; E697-R701 IonicContact OE1-NH1 3.82Å; E697-R701 PolarHBondContact OE1-NH1 3.18Å; E697-R701 IonicContact OE1-NH2 3.7Å; E697-R701 PolarHBondContact OE1-NH2 3.12Å
698	Y	98.5	Very high	95.9	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-67.8	-42.1	172.4	-66.9	0.2	0	0	0	110.9	G656 L657 L659 R660 Q666 I676 M678 P694 L695 R701 G702 L703 V705	G656-Y698 PolarHBondContact O-OH 3.41Å; L657-Y698 PolarHBondContact O-OH 3.24Å; L659-Y698 WeakPolarHBondContact CB-OH 3.39Å; R660-Y698 PolarHBondContact N-OH 3.3Å; Q666-Y698 HydrophobicContact CG-CE1 4.37Å; I676-Y698 HydrophobicContact CD1-CD2 4.32Å; M678-Y698 HydrophobicContact CE-CD2 4.18Å; M678-Y698 HydrophobicContact CE-CE2 4.03Å; M678-Y698 HydrophobicContact SD-CD2 3.71Å; M678-Y698 HydrophobicContact SD-CE2 4.08Å; P694-Y698 HydrophobicContact CB-CD1 4.07Å; P694-Y698 HydrophobicContact CB-CE1 3.58Å; P694-Y698 HydrophobicContact CB-CE2 4.31Å; P694-Y698 HydrophobicContact CG-CE1 3.98Å; P694-Y698 HydrophobicContact CG-CE2 3.91Å; P694-Y698 WeakPolarHBondContact CG-OH 3.4Å; P694-Y698 PolarHBondContact O-N 3.32Å; L695-Y698 PolarHBondContact O-N 3.15Å; Y698-R701 PolarHBondContact O-N 3.43Å; Y698-G702 PolarHBondContact O-N 3.44Å; Y698-L703 HydrophobicContact CG-CD2 4.25Å; Y698-L703 PolarHBondContact O-N 3.04Å; Y698-V705 HydrophobicContact CD2-CG1 3.95Å; Y698-V705 HydrophobicContact CG-CG1 4.36Å
699	L	98.3	Very high	96.5	Very high	6 Å²	6	24.1 Å²	24.1	3%	0.031	12%	0.121	C	C	.	.	H	α-helix	trans	-66.9	-38.9	175.6	-175.4	62.3	0	0	0	112.1	L695 R701 G702 V705 L735 D739 E742 L743 R789	L695-L699 WeakPolarHBondContact O-CB 3.31Å; L695-L699 PolarHBondContact O-N 3.34Å; L699-R701 VanDerWaalsContact C-N 3.35Å; L699-R701 PolarHBondContact O-N 2.79Å; L699-G702 PolarHBondContact O-N 3Å; L699-V705 HydrophobicContact CB-CG2 3.9Å; L699-V705 HydrophobicContact CD1-CG2 4.02Å; L699-L735 HydrophobicContact CD2-CD2 4.32Å; L699-D739 HydrophobicContact CD2-CB 4.2Å; L699-E742 HydrophobicContact CD1-CG 4.38Å; L699-L743 HydrophobicContact CD1-CD2 4.19Å; L699-L743 HydrophobicContact CD1-CG 4.43Å; L699-L743 HydrophobicContact CD2-CD1 4.09Å; L699-L743 HydrophobicContact CD2-CD2 4.17Å; L699-L743 HydrophobicContact CD2-CG 4.02Å; L699-R789 VanDerWaalsContact O-CZ 3.23Å; L699-R789 PolarHBondContact O-NH1 2.76Å; L699-R789 PolarHBondContact O-NH2 2.73Å
700	S	97.4	Very high	96.9	Very high	15 Å²	15	21.7 Å²	21.7	11%	0.105	10%	0.104	C	C	.	.	H	α-helix	trans	-62.9	-44.4	175.5	75.5	0	0	0	0	110.9	S329 F332 P696 E697 G702 R789	S329-S700 PolarHBondContact OG-OG 2.92Å; F332-S700 WeakPolarHBondContact CB-O 3.45Å; F332-S700 WeakPolarHBondContact CG-O 3.35Å; P696-S700 WeakPolarHBondContact O-CB 3.28Å; P696-S700 PolarHBondContact O-N 3.19Å; E697-S700 PolarHBondContact O-OG 3.14Å; S700-G702 VanDerWaalsContact C-N 3.27Å; S700-G702 PolarHBondContact O-N 3.14Å; S700-R789 PolarHBondContact O-NH1 3.47Å
701	R	98.3	Very high	97.1	Very high	11 Å²	11	20.9 Å²	20.9	4%	0.042	10%	0.101	C	C	.	.	H	α-helix	trans	-67	-22.8	176.6	-70.8	174.3	175.3	139.3	17.1	114.1	L325 L328 Q666 Y670 E697 Y698 L699 L703	L325-R701 WeakPolarHBondContact O-CG 3.21Å; L325-R701 PolarHBondContact O-NE 2.76Å; L328-R701 HydrophobicContact CB-CB 4.32Å; L328-R701 HydrophobicContact CB-CG 4.23Å; Q666-R701 VanDerWaalsContact OE1-CD 3.26Å; Y670-R701 WeakPolarHBondContact CD2-O 3.38Å; Y670-R701 WeakPolarHBondContact CE2-O 3.33Å; E697-R701 WeakPolarHBondContact O-CB 3.2Å; E697-R701 VanDerWaalsContact O-CG 3.28Å; E697-R701 WeakPolarHBondContact O-CG 3.46Å; E697-R701 PolarHBondContact O-N 3.23Å; E697-R701 VanDerWaalsContact O-N 3.16Å; E697-R701 IonicContact OE1-CZ 3.56Å; E697-R701 IonicContact OE1-NH1 3.82Å; E697-R701 PolarHBondContact OE1-NH1 3.18Å; E697-R701 IonicContact OE1-NH2 3.7Å; E697-R701 PolarHBondContact OE1-NH2 3.12Å; Y698-R701 PolarHBondContact O-N 3.43Å; L699-R701 VanDerWaalsContact C-N 3.35Å; L699-R701 PolarHBondContact O-N 2.79Å; R701-L703 HydrophobicContact CB-CD1 3.74Å
702	G	98.3	Very high	97.4	Very high	7 Å²	7	13.4 Å²	13.4	7%	0.072	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.5	31.3	179.3	0	0	0	0	0	114.2	Y670 Q673 Y698 L699 S700	Y670-G702 WeakPolarHBondContact CD2-O 3.44Å; Q673-G702 PolarHBondContact NE2-O 3Å; Y698-G702 PolarHBondContact O-N 3.44Å; L699-G702 PolarHBondContact O-N 3Å; S700-G702 VanDerWaalsContact C-N 3.27Å; S700-G702 PolarHBondContact O-N 3.14Å
703	L	98.6	Very high	97.5	Very high	3 Å²	3	9 Å²	9	2%	0.016	5%	0.05	C	C	.	.			trans	-69.8	151.3	162.5	-75.9	76.3	0	0	0	109.2	Q666 Y670 I676 Y698 R701 V705	Q666-L703 HydrophobicContact CG-CD1 4.43Å; Q666-L703 HydrophobicContact CG-CD2 3.81Å; Y670-L703 HydrophobicContact CD2-CD1 4.31Å; I676-L703 HydrophobicContact CD1-CD2 3.9Å; Y698-L703 HydrophobicContact CG-CD2 4.25Å; Y698-L703 PolarHBondContact O-N 3.04Å; R701-L703 HydrophobicContact CB-CD1 3.74Å; L703-V705 VanDerWaalsContact C-N 3.26Å; L703-V705 PolarHBondContact O-N 3.22Å
704	M	98.1	Very high	97.3	Very high	34 Å²	34	8.7 Å²	8.7	17%	0.167	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	73.6	180	-167.3	179.9	-66.1	0	0	111.1	Q673 G675 I676 N746 L749 M750	Q673-M704 HydrophobicContact CB-CE 4.24Å; G675-M704 WeakPolarHBondContact CA-O 3.29Å; I676-M704 PolarHBondContact N-O 3Å; M704-N746 HydrophobicContact CG-CB 4.12Å; M704-L749 HydrophobicContact SD-CB 4.46Å; M704-M750 HydrophobicContact CG-CE 4.12Å; M704-M750 WeakPolarHBondContact O-CE 3.49Å
705	V	98.6	Very high	97.2	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	148.5	175.6	-71.1	0	0	0	0	112.6	I676 M678 Y698 L699 L703 L743 N746	I676-V705 HydrophobicContact CB-CG1 4.19Å; I676-V705 WeakPolarHBondContact O-CA 3.36Å; M678-V705 HydrophobicContact SD-CB 4.47Å; M678-V705 HydrophobicContact SD-CG1 3.79Å; Y698-V705 HydrophobicContact CD2-CG1 3.95Å; Y698-V705 HydrophobicContact CG-CG1 4.36Å; L699-V705 HydrophobicContact CB-CG2 3.9Å; L699-V705 HydrophobicContact CD1-CG2 4.02Å; L703-V705 VanDerWaalsContact C-N 3.26Å; L703-V705 PolarHBondContact O-N 3.22Å; V705-L743 HydrophobicContact CB-CD2 4.47Å; V705-L743 HydrophobicContact CG2-CD2 3.81Å; V705-N746 VanDerWaalsContact O-CB 3.24Å; V705-N746 WeakPolarHBondContact O-CB 3.25Å; V705-N746 PolarHBondContact O-ND2 3.05Å; V705-N746 VanDerWaalsContact O-ND2 3.09Å
706	S	98.3	Very high	97	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	161.2	164.1	58.7	0	0	0	0	110.9	T363 I676 A677 M678 M750	T363-S706 PolarHBondContact OG1-OG 2.91Å; I676-S706 PolarHBondContact O-N 3Å; A677-S706 WeakPolarHBondContact CA-OG 3.37Å; M678-S706 PolarHBondContact N-O 2.92Å; S706-M750 WeakPolarHBondContact OG-CE 3.39Å; S706-M750 PolarHBondContact OG-SD 2.87Å; S706-M750 VanDerWaalsContact OG-SD 3.36Å
707	L	98.4	Very high	96.8	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	144.5	165.6	-80.1	167.7	0	0	0	110.3	M678 P680 L695 Y726 A729 L743	M678-L707 CarbonylContact O-C 3.14Å; M678-L707 WeakPolarHBondContact O-CA 3.16Å; P680-L707 HydrophobicContact CG-CD2 3.65Å; L695-L707 HydrophobicContact CD1-CD2 3.41Å; L695-L707 VanDerWaalsContact CD1-CD2 3.41Å; L695-L707 HydrophobicContact CD1-CG 4Å; L707-Y726 HydrophobicContact CB-CD2 4.1Å; L707-Y726 HydrophobicContact CB-CE2 3.74Å; L707-Y726 HydrophobicContact CD1-CD1 3.71Å; L707-Y726 HydrophobicContact CD1-CD2 3.92Å; L707-Y726 HydrophobicContact CD1-CE1 3.96Å; L707-Y726 HydrophobicContact CD1-CE2 4.15Å; L707-Y726 HydrophobicContact CD1-CG 3.69Å; L707-A729 HydrophobicContact CD1-CB 3.91Å; L707-A729 HydrophobicContact CD2-CB 4.45Å; L707-L743 HydrophobicContact CD1-CD1 4.05Å; L707-L743 HydrophobicContact CG-CD1 4.42Å
708	S	98.1	Very high	96.6	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.069	C	C	.	.			trans	-150.2	167.1	-179.2	48.6	0	0	0	0	111.4	D362 H364 M678 S679	D362-S708 WeakPolarHBondContact OD1-CA 3.31Å; D362-S708 WeakPolarHBondContact OD1-CB 3.03Å; H364-S708 WeakPolarHBondContact CB-OG 3.3Å; H364-S708 VanDerWaalsContact N-CB 3.34Å; H364-S708 WeakPolarHBondContact O-CB 3.42Å; M678-S708 PolarHBondContact N-OG 3.15Å; M678-S708 PolarHBondContact O-N 3.03Å; M678-S708 PolarHBondContact O-OG 3.41Å; M678-S708 VanDerWaalsContact O-OG 3.06Å; S679-S708 WeakPolarHBondContact CA-O 3.32Å; S679-S708 WeakPolarHBondContact CB-O 3.41Å; S679-S708 PolarHBondContact OG-O 3.11Å; S679-S708 PolarHBondContact OG-OG 3.2Å
709	T	97.9	Very high	96.1	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.09	C	C	.	.			trans	-106.5	-16.8	-168.7	63.7	0	0	0	0	116.7	D362 H364 D711 P712 H716 P721 L722	D362-T709 PolarHBondContact OD1-N 2.83Å; D362-T709 VanDerWaalsContact OD1-N 3.14Å; D362-T709 VanDerWaalsContact OD2-CB 3.29Å; D362-T709 WeakPolarHBondContact OD2-CB 3.45Å; D362-T709 WeakPolarHBondContact OD2-CG2 3.5Å; D362-T709 PolarHBondContact OD2-N 3.25Å; D362-T709 PolarHBondContact OD2-OG1 2.91Å; H364-T709 PolarHBondContact O-N 3.39Å; T709-D711 PolarHBondContact O-N 3.22Å; T709-P712 VanDerWaalsContact OG1-CG 3.31Å; T709-P712 WeakPolarHBondContact OG1-CG 3.4Å; T709-H716 PolarHBondContact O-CE1 2.95Å; T709-P721 VanDerWaalsContact CG2-C 3.46Å; T709-P721 HydrophobicContact CG2-CB 3.81Å; T709-P721 HydrophobicContact CG2-CG 4.22Å; T709-L722 VanDerWaalsContact CG2-CA 3.46Å; T709-L722 HydrophobicContact CG2-CB 3.98Å; T709-L722 HydrophobicContact CG2-CD1 4.22Å; T709-L722 VanDerWaalsContact CG2-N 3.28Å
710	D	96.5	Very high	95.9	Very high	4 Å²	4	21.7 Å²	21.7	2%	0.021	11%	0.106	C	C	.	.	B	Isolated β-bridge	trans	63.4	-87.9	-177.6	-136.8	1	0	0	0	112.3	H364 I365 H366 H655 S682 F715	H364-D710 IonicContact CE1-OD1 3.67Å; H364-D710 PolarHBondContact CE1-OD1 2.8Å; H364-D710 IonicContact ND1-OD1 2.87Å; H364-D710 PolarHBondContact ND1-OD1 2.96Å; H364-D710 IonicContact NE2-OD1 2.72Å; H364-D710 PolarHBondContact O-N 3.05Å; I365-D710 WeakPolarHBondContact CA-O 3.36Å; H366-D710 IonicContact CD2-OD1 3.28Å; H366-D710 PolarHBondContact N-O 3.36Å; H366-D710 IonicContact NE2-OD1 2.87Å; H655-D710 IonicContact CE1-OD1 3.22Å; H655-D710 IonicContact CE1-OD2 3.14Å; H655-D710 PolarHBondContact CE1-OD2 2.66Å; S682-D710 WeakPolarHBondContact CB-OD2 3.24Å; S682-D710 PolarHBondContact OG-OD2 2.87Å; D710-F715 HydrophobicContact CB-CD2 4.42Å; D710-F715 HydrophobicContact CB-CE2 4.32Å
711	D	96.4	Very high	95.8	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.108	C	C	.	.			trans	-128	88.6	178.5	-61.3	-83.2	0	0	0	111.2	H366 S369 F436 Y440 T709 L713 Q714 F715	H366-D711 IonicContact CD2-OD1 3.82Å; H366-D711 PolarHBondContact CD2-OD1 3.13Å; H366-D711 IonicContact CD2-OD2 3.41Å; H366-D711 IonicContact CG-OD1 3.19Å; S369-D711 WeakPolarHBondContact CB-OD1 3.15Å; S369-D711 PolarHBondContact OG-OD1 2.78Å; F436-D711 VanDerWaalsContact CZ-OD2 3.31Å; F436-D711 WeakPolarHBondContact CZ-OD2 3.44Å; Y440-D711 VanDerWaalsContact CE1-OD1 3.27Å; Y440-D711 WeakPolarHBondContact CE1-OD1 3.37Å; Y440-D711 VanDerWaalsContact CZ-OD1 3.31Å; Y440-D711 VanDerWaalsContact OH-CG 3.26Å; Y440-D711 PolarHBondContact OH-OD1 3.04Å; Y440-D711 PolarHBondContact OH-OD2 2.68Å; T709-D711 PolarHBondContact O-N 3.22Å; D711-L713 PolarHBondContact O-N 3.23Å; D711-L713 VanDerWaalsContact O-N 3.12Å; D711-Q714 HydrophobicContact CB-CB 3.84Å; D711-Q714 HydrophobicContact CB-CG 4.29Å; D711-Q714 PolarHBondContact O-N 3.14Å; D711-F715 HydrophobicContact CB-CD2 3.82Å; D711-F715 HydrophobicContact CB-CE2 3.74Å; D711-F715 WeakPolarHBondContact O-CD2 3.24Å; D711-F715 PolarHBondContact O-N 2.91Å
712	P	96.4	Very high	95.7	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.006	11%	0.107	C	C	.	.	H	α-helix	trans	-50.6	-31.7	171.8	-32	36.7	0	0	0	115.4	I365 S369 T709 H716 P721	I365-P712 HydrophobicContact CD1-CG 3.91Å; I365-P712 HydrophobicContact CG1-CG 4.33Å; S369-P712 CarbonylContact O-C 3.6Å; S369-P712 WeakPolarHBondContact O-CB 3.38Å; S369-P712 VanDerWaalsContact O-CD 3.25Å; S369-P712 WeakPolarHBondContact O-CD 3.48Å; T709-P712 VanDerWaalsContact OG1-CG 3.31Å; T709-P712 WeakPolarHBondContact OG1-CG 3.4Å; P712-H716 HydrophobicContact CB-CB 4.45Å; P712-H716 WeakPolarHBondContact O-CB 3.5Å; P712-H716 PolarHBondContact O-N 2.95Å; P712-P721 HydrophobicContact CB-CB 3.85Å; P712-P721 HydrophobicContact CB-CG 3.83Å; P712-P721 HydrophobicContact CG-CB 3.9Å; P712-P721 HydrophobicContact CG-CG 3.72Å
713	L	94.4	Very high	95.7	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-66.4	-35	176.8	-179.2	63	0	0	0	112.8	S369 M371 Q373 L376 V423 I453 D711	S369-L713 WeakPolarHBondContact O-CB 3.43Å; S369-L713 PolarHBondContact O-N 2.93Å; M371-L713 HydrophobicContact CE-CD2 4.15Å; M371-L713 VanDerWaalsContact O-CA 3.28Å; M371-L713 WeakPolarHBondContact O-CA 3.47Å; M371-L713 VanDerWaalsContact O-CB 3.25Å; M371-L713 WeakPolarHBondContact O-CB 3.41Å; M371-L713 WeakPolarHBondContact O-CD1 3.38Å; M371-L713 PolarHBondContact O-N 3.31Å; Q373-L713 HydrophobicContact CB-CD1 4.34Å; L376-L713 HydrophobicContact CB-CD1 4.2Å; L376-L713 HydrophobicContact CD2-CD1 3.82Å; L376-L713 HydrophobicContact CD2-CD2 4.21Å; V423-L713 HydrophobicContact CB-CD1 4.2Å; V423-L713 HydrophobicContact CB-CG 4.14Å; V423-L713 HydrophobicContact CG2-CD1 3.78Å; V423-L713 HydrophobicContact CG2-CG 4.21Å; I453-L713 HydrophobicContact CD1-CD2 4.46Å; D711-L713 PolarHBondContact O-N 3.23Å; D711-L713 VanDerWaalsContact O-N 3.12Å
714	Q	92.1	Very high	95.6	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-94	-30.5	-176	-82.1	57.9	51.9	0	0	113.2	S369 V423 H424 A425 F436 K439 D711	S369-Q714 VanDerWaalsContact CB-OE1 3.31Å; V423-Q714 WeakPolarHBondContact O-CG 3.3Å; V423-Q714 PolarHBondContact O-NE2 3.46Å; H424-Q714 PolarHBondContact CD2-O 2.75Å; H424-Q714 PolarHBondContact CE1-O 2.8Å; H424-Q714 VanDerWaalsContact CE1-O 3.27Å; H424-Q714 PolarHBondContact ND1-O 2.7Å; H424-Q714 PolarHBondContact NE2-O 2.86Å; A425-Q714 WeakPolarHBondContact CB-O 3.35Å; A425-Q714 PolarHBondContact N-O 3.45Å; F436-Q714 HydrophobicContact CD2-CG 4.42Å; F436-Q714 HydrophobicContact CE2-CB 4.46Å; F436-Q714 HydrophobicContact CE2-CG 4.07Å; K439-Q714 HydrophobicContact CB-CG 4Å; K439-Q714 PolarHBondContact O-NE2 2.81Å; D711-Q714 HydrophobicContact CB-CB 3.84Å; D711-Q714 HydrophobicContact CB-CG 4.29Å; D711-Q714 PolarHBondContact O-N 3.14Å
715	F	93.7	Very high	95.6	Very high	7 Å²	7	21.6 Å²	21.6	3%	0.031	10%	0.104	C	C	.	.	H	α-helix	trans	-121.5	-9.8	-166.8	-52.6	-58.6	0	0	0	116.2	A425 F436 L681 S682 L686 D710 D711	A425-F715 HydrophobicContact CB-CD1 3.68Å; A425-F715 HydrophobicContact CB-CE1 3.47Å; A425-F715 VanDerWaalsContact CB-CE1 3.47Å; F436-F715 HydrophobicContact CD2-CZ 4.04Å; F436-F715 HydrophobicContact CE2-CE1 4.5Å; F436-F715 HydrophobicContact CE2-CE2 4.05Å; F436-F715 AromaticContact CE2-CZ 3.56Å; F436-F715 HydrophobicContact CE2-CZ 3.56Å; F436-F715 HydrophobicContact CZ-CZ 4.45Å; L681-F715 HydrophobicContact CB-CB 4.44Å; S682-F715 VanDerWaalsContact OG-CE2 3.28Å; S682-F715 WeakPolarHBondContact OG-CE2 3.41Å; S682-F715 WeakPolarHBondContact OG-CZ 3.45Å; L686-F715 HydrophobicContact CD1-CZ 4.02Å; L686-F715 HydrophobicContact CD2-CE1 4.41Å; L686-F715 HydrophobicContact CD2-CZ 4.35Å; L686-F715 HydrophobicContact CG-CE1 4.29Å; L686-F715 HydrophobicContact CG-CZ 4.04Å; D710-F715 HydrophobicContact CB-CD2 4.42Å; D710-F715 HydrophobicContact CB-CE2 4.32Å; D711-F715 HydrophobicContact CB-CD2 3.82Å; D711-F715 HydrophobicContact CB-CE2 3.74Å; D711-F715 WeakPolarHBondContact O-CD2 3.24Å; D711-F715 PolarHBondContact O-N 2.91Å
716	H	95.1	Very high	95.5	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.104	C	C	.	.			trans	-124.3	145.4	-168.1	-65.9	74.5	0	0	0	113.8	T709 P712 P721 E724	T709-H716 PolarHBondContact O-CE1 2.95Å; P712-H716 HydrophobicContact CB-CB 4.45Å; P712-H716 WeakPolarHBondContact O-CB 3.5Å; P712-H716 PolarHBondContact O-N 2.95Å; H716-P721 HydrophobicContact CB-CB 3.83Å; H716-P721 WeakPolarHBondContact CD2-CB 3.3Å; H716-P721 PolarHBondContact CD2-O 3.39Å; H716-P721 VanDerWaalsContact CD2-O 3.26Å; H716-P721 PolarHBondContact NE2-O 3.33Å; H716-E724 IonicContact CD2-OE2 2.77Å
717	F	91.7	Very high	95.5	Very high	136 Å²	136	24.3 Å²	24.3	60%	0.596	12%	0.123	S	C	*	.			trans	-106.7	-20.4	-177.7	-64	-84.6	0	0	0	114.2	H424 E724	H424-F717 AromaticContact CE1-CE2 3.86Å; H424-F717 AromaticContact CE1-CZ 3.5Å; H424-F717 AromaticContact NE2-CE1 3.7Å; H424-F717 AromaticContact NE2-CE2 3.66Å; H424-F717 AromaticContact NE2-CZ 3.35Å; H424-F717 WeakPolarHBondContact NE2-CZ 3.4Å; F717-E724 PolarHBondContact N-OE1 2.65Å; F717-E724 PolarHBondContact N-OE2 2.86Å; F717-E724 VanDerWaalsContact N-OE2 3.13Å
718	T	92.6	Very high	95.4	Very high	59 Å²	59	27 Å²	27	36%	0.362	14%	0.137	S	C	.	.	S	Bend	trans	-92.1	172.2	-172.5	69.3	0	0	0	0	114	N372 E720 E724	N372-T718 PolarHBondContact ND2-O 3.41Å; T718-E720 VanDerWaalsContact C-N 3.28Å; T718-E720 PolarHBondContact OG1-N 3.12Å; T718-E720 PolarHBondContact OG1-O 2.96Å; T718-E724 VanDerWaalsContact CB-OE2 3.23Å; T718-E724 WeakPolarHBondContact CB-OE2 3.18Å; T718-E724 HydrophobicContact CG2-CB 4.09Å; T718-E724 HydrophobicContact CG2-CG 4.12Å; T718-E724 VanDerWaalsContact CG2-OE2 3.27Å; T718-E724 WeakPolarHBondContact CG2-OE2 3.04Å; T718-E724 PolarHBondContact N-OE2 3.04Å; T718-E724 WeakPolarHBondContact OG1-CB 3.2Å; T718-E724 PolarHBondContact OG1-OE2 2.89Å
719	K	89.6	Confident	95.3	Very high	102 Å²	102	27 Å²	27	44%	0.443	14%	0.137	S	C	.	.	S	Bend	trans	-71.6	-23	171.5	-160.7	-150	175.9	-162.2	0	112.2	D474 E477 P721	D474-K719 WeakPolarHBondContact OD1-CE 3.44Å; D474-K719 IonicContact OD1-NZ 3.37Å; D474-K719 PolarHBondContact OD1-NZ 3.22Å; D474-K719 WeakPolarHBondContact OD2-CE 3.39Å; D474-K719 IonicContact OD2-NZ 2.78Å; E477-K719 IonicContact OE2-NZ 3.19Å; E477-K719 PolarHBondContact OE2-NZ 2.96Å; K719-P721 WeakPolarHBondContact O-CD 3.35Å
720	E	92.8	Very high	95.2	Very high	77 Å²	77	28 Å²	28	36%	0.36	14%	0.143	S	C	.	.			trans	-126.2	74.6	-169.8	-63.3	-175.8	97.7	0	0	109	S478 Q481 T718 L722 M723 E724	S478-E720 WeakPolarHBondContact CB-OE1 2.85Å; S478-E720 PolarHBondContact OG-OE1 3.27Å; Q481-E720 PolarHBondContact NE2-OE1 3Å; T718-E720 VanDerWaalsContact C-N 3.28Å; T718-E720 PolarHBondContact OG1-N 3.12Å; T718-E720 PolarHBondContact OG1-O 2.96Å; E720-L722 VanDerWaalsContact C-N 3.29Å; E720-L722 PolarHBondContact O-N 2.84Å; E720-M723 HydrophobicContact CB-CB 4.04Å; E720-M723 HydrophobicContact CB-CG 4.25Å; E720-M723 WeakPolarHBondContact O-CA 3.15Å; E720-M723 WeakPolarHBondContact O-CB 3.39Å; E720-M723 PolarHBondContact O-N 3Å; E720-E724 PolarHBondContact O-N 3.1Å; E720-E724 VanDerWaalsContact O-N 3.12Å
721	P	96	Very high	95.2	Very high	22 Å²	22	35.3 Å²	35.3	14%	0.143	18%	0.177	C	C	.	.	H	α-helix	trans	-60.4	-36.5	-166.1	24.7	-35.9	0	0	0	112.8	T709 P712 H716 K719 M723 E724 E725	T709-P721 VanDerWaalsContact CG2-C 3.46Å; T709-P721 HydrophobicContact CG2-CB 3.81Å; T709-P721 HydrophobicContact CG2-CG 4.22Å; P712-P721 HydrophobicContact CB-CB 3.85Å; P712-P721 HydrophobicContact CB-CG 3.83Å; P712-P721 HydrophobicContact CG-CB 3.9Å; P712-P721 HydrophobicContact CG-CG 3.72Å; H716-P721 HydrophobicContact CB-CB 3.83Å; H716-P721 WeakPolarHBondContact CD2-CB 3.3Å; H716-P721 PolarHBondContact CD2-O 3.39Å; H716-P721 VanDerWaalsContact CD2-O 3.26Å; H716-P721 PolarHBondContact NE2-O 3.33Å; K719-P721 WeakPolarHBondContact O-CD 3.35Å; P721-M723 VanDerWaalsContact C-N 3.3Å; P721-M723 PolarHBondContact O-N 3.47Å; P721-E724 WeakPolarHBondContact O-CB 3.38Å; P721-E724 PolarHBondContact O-N 3.5Å; P721-E724 VanDerWaalsContact O-N 3.08Å; P721-E725 PolarHBondContact O-N 2.88Å
722	L	97.2	Very high	95.1	Very high	5 Å²	5	37.7 Å²	37.7	3%	0.026	19%	0.192	C	C	.	.	H	α-helix	trans	-61.9	-39.7	175.5	-173.4	67.2	0	0	0	111.3	K360 D362 T709 E720 E724 E725 Y726	K360-L722 HydrophobicContact CB-CD2 4.46Å; K360-L722 HydrophobicContact CD-CD2 4.29Å; K360-L722 HydrophobicContact CG-CD2 3.91Å; D362-L722 HydrophobicContact CB-CD1 4.2Å; D362-L722 HydrophobicContact CB-CD2 4.13Å; T709-L722 VanDerWaalsContact CG2-CA 3.46Å; T709-L722 HydrophobicContact CG2-CB 3.98Å; T709-L722 HydrophobicContact CG2-CD1 4.22Å; T709-L722 VanDerWaalsContact CG2-N 3.28Å; E720-L722 VanDerWaalsContact C-N 3.29Å; E720-L722 PolarHBondContact O-N 2.84Å; L722-E724 VanDerWaalsContact C-N 3.29Å; L722-E724 PolarHBondContact O-N 3.03Å; L722-E725 PolarHBondContact O-N 3.32Å; L722-Y726 HydrophobicContact CD1-CD2 4.22Å; L722-Y726 HydrophobicContact CD1-CE2 3.96Å; L722-Y726 HydrophobicContact CD2-CE2 4.47Å; L722-Y726 HydrophobicContact CG-CD2 4.08Å; L722-Y726 HydrophobicContact CG-CE2 4.01Å; L722-Y726 VanDerWaalsContact O-CD2 3.31Å; L722-Y726 WeakPolarHBondContact O-CD2 3.2Å; L722-Y726 PolarHBondContact O-N 2.97Å
723	M	96.4	Very high	95.1	Very high	20 Å²	20	39.8 Å²	39.8	10%	0.099	20%	0.199	C	C	.	.	H	α-helix	trans	-70.8	-24.8	176.6	-66.5	-66.3	-64.4	0	0	112.6	F355 Y356 K360 E720 P721 S727	F355-M723 HydrophobicContact CD1-CE 4.23Å; F355-M723 HydrophobicContact CE1-CE 3.57Å; F355-M723 HydrophobicContact CE1-SD 3.99Å; F355-M723 HydrophobicContact CZ-CE 4.32Å; F355-M723 HydrophobicContact CZ-SD 4.15Å; Y356-M723 HydrophobicContact CD1-CE 3.5Å; Y356-M723 VanDerWaalsContact CD1-CE 3.5Å; Y356-M723 HydrophobicContact CE1-CE 3.53Å; K360-M723 HydrophobicContact CD-SD 3.89Å; K360-M723 PolarHBondContact NZ-SD 3.04Å; K360-M723 VanDerWaalsContact NZ-SD 3.36Å; E720-M723 HydrophobicContact CB-CB 4.04Å; E720-M723 HydrophobicContact CB-CG 4.25Å; E720-M723 WeakPolarHBondContact O-CA 3.15Å; E720-M723 WeakPolarHBondContact O-CB 3.39Å; E720-M723 PolarHBondContact O-N 3Å; P721-M723 VanDerWaalsContact C-N 3.3Å; P721-M723 PolarHBondContact O-N 3.47Å; M723-S727 WeakPolarHBondContact O-CB 3.41Å; M723-S727 PolarHBondContact O-N 3.05Å; M723-S727 PolarHBondContact O-OG 3.16Å
724	E	97.3	Very high	95.2	Very high	20 Å²	20	48.7 Å²	48.7	9%	0.093	24%	0.238	C	C	.	.	H	α-helix	trans	-69.4	-45.5	171	175.8	172.4	-166.1	0	0	111.3	L681 H716 F717 T718 E720 P721 L722 S727 I728	L681-E724 HydrophobicContact CD1-CG 4.48Å; H716-E724 IonicContact CD2-OE2 2.77Å; F717-E724 PolarHBondContact N-OE1 2.65Å; F717-E724 PolarHBondContact N-OE2 2.86Å; F717-E724 VanDerWaalsContact N-OE2 3.13Å; T718-E724 VanDerWaalsContact CB-OE2 3.23Å; T718-E724 WeakPolarHBondContact CB-OE2 3.18Å; T718-E724 HydrophobicContact CG2-CB 4.09Å; T718-E724 HydrophobicContact CG2-CG 4.12Å; T718-E724 VanDerWaalsContact CG2-OE2 3.27Å; T718-E724 WeakPolarHBondContact CG2-OE2 3.04Å; T718-E724 PolarHBondContact N-OE2 3.04Å; T718-E724 WeakPolarHBondContact OG1-CB 3.2Å; T718-E724 PolarHBondContact OG1-OE2 2.89Å; E720-E724 PolarHBondContact O-N 3.1Å; E720-E724 VanDerWaalsContact O-N 3.12Å; P721-E724 WeakPolarHBondContact O-CB 3.38Å; P721-E724 PolarHBondContact O-N 3.5Å; P721-E724 VanDerWaalsContact O-N 3.08Å; L722-E724 VanDerWaalsContact C-N 3.29Å; L722-E724 PolarHBondContact O-N 3.03Å; E724-S727 PolarHBondContact O-N 3.06Å; E724-I728 HydrophobicContact CG-CD1 4Å; E724-I728 WeakPolarHBondContact O-CG1 3.41Å; E724-I728 PolarHBondContact O-N 2.89Å
725	E	97.8	Very high	95.4	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-56.9	-53.8	170.7	-89	-74.6	-162.6	0	0	112.3	P680 L681 Y690 P721 L722 S727 I728 A729	P680-E725 VanDerWaalsContact CD-OE1 3.27Å; P680-E725 WeakPolarHBondContact CD-OE1 3.46Å; P680-E725 VanDerWaalsContact N-OE1 3.09Å; L681-E725 VanDerWaalsContact CB-OE1 3.31Å; L681-E725 WeakPolarHBondContact CB-OE1 3.41Å; L681-E725 HydrophobicContact CD1-CG 3.9Å; L681-E725 HydrophobicContact CG-CG 4.29Å; L681-E725 WeakPolarHBondContact CG-OE1 3.35Å; L681-E725 PolarHBondContact N-OE1 2.9Å; Y690-E725 PolarHBondContact OH-OE2 3.32Å; P721-E725 PolarHBondContact O-N 2.88Å; L722-E725 PolarHBondContact O-N 3.32Å; E725-S727 PolarHBondContact O-N 3.37Å; E725-I728 PolarHBondContact O-N 2.9Å; E725-A729 WeakPolarHBondContact O-CB 3.49Å; E725-A729 PolarHBondContact O-N 2.72Å
726	Y	98	Very high	95.5	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-58.6	-36.6	177.3	-87	-92.6	0	0	0	112.5	F355 L707 L722 T730 L743 A744	F355-Y726 HydrophobicContact CE1-CD1 4.47Å; F355-Y726 HydrophobicContact CE1-CG 4.48Å; F355-Y726 AromaticContact CE2-CD1 3.48Å; F355-Y726 HydrophobicContact CE2-CD1 3.48Å; F355-Y726 VanDerWaalsContact CE2-CD1 3.48Å; F355-Y726 AromaticContact CE2-CE1 3.7Å; F355-Y726 HydrophobicContact CE2-CE1 3.7Å; F355-Y726 HydrophobicContact CE2-CG 4.09Å; F355-Y726 AromaticContact CZ-CD1 3.32Å; F355-Y726 HydrophobicContact CZ-CD1 3.32Å; F355-Y726 HydrophobicContact CZ-CD2 4.23Å; F355-Y726 AromaticContact CZ-CE1 3.98Å; F355-Y726 HydrophobicContact CZ-CE1 3.98Å; F355-Y726 AromaticContact CZ-CG 3.48Å; F355-Y726 HydrophobicContact CZ-CG 3.48Å; F355-Y726 VanDerWaalsContact CZ-CG 3.48Å; L707-Y726 HydrophobicContact CB-CD2 4.1Å; L707-Y726 HydrophobicContact CB-CE2 3.74Å; L707-Y726 HydrophobicContact CD1-CD1 3.71Å; L707-Y726 HydrophobicContact CD1-CD2 3.92Å; L707-Y726 HydrophobicContact CD1-CE1 3.96Å; L707-Y726 HydrophobicContact CD1-CE2 4.15Å; L707-Y726 HydrophobicContact CD1-CG 3.69Å; L722-Y726 HydrophobicContact CD1-CD2 4.22Å; L722-Y726 HydrophobicContact CD1-CE2 3.96Å; L722-Y726 HydrophobicContact CD2-CE2 4.47Å; L722-Y726 HydrophobicContact CG-CD2 4.08Å; L722-Y726 HydrophobicContact CG-CE2 4.01Å; L722-Y726 VanDerWaalsContact O-CD2 3.31Å; L722-Y726 WeakPolarHBondContact O-CD2 3.2Å; L722-Y726 PolarHBondContact O-N 2.97Å; Y726-T730 WeakPolarHBondContact O-CB 3.39Å; Y726-T730 PolarHBondContact O-N 3.07Å; Y726-T730 VanDerWaalsContact O-N 3.08Å; Y726-T730 PolarHBondContact O-OG1 3.15Å; Y726-L743 HydrophobicContact CE1-CB 3.81Å; Y726-L743 HydrophobicContact CE1-CD1 4.44Å; Y726-L743 VanDerWaalsContact OH-C 3.32Å; Y726-L743 PolarHBondContact OH-O 2.93Å; Y726-A744 WeakPolarHBondContact OH-CA 3.24Å; Y726-A744 PolarHBondContact OH-N 3.18Å
727	S	96.9	Very high	95.5	Very high	58 Å²	58	52.4 Å²	52.4	41%	0.406	26%	0.263	S	S	.	.	H	α-helix	trans	-67.7	-46.2	177.8	-64	0	0	0	0	111.8	M723 E724 E725 T730 Q731	M723-S727 WeakPolarHBondContact O-CB 3.41Å; M723-S727 PolarHBondContact O-N 3.05Å; M723-S727 PolarHBondContact O-OG 3.16Å; E724-S727 PolarHBondContact O-N 3.06Å; E725-S727 PolarHBondContact O-N 3.37Å; S727-T730 PolarHBondContact O-N 3.37Å; S727-Q731 WeakPolarHBondContact O-CG 3.39Å; S727-Q731 PolarHBondContact O-N 3.44Å
728	I	96.8	Very high	95.8	Very high	56 Å²	56	46.1 Å²	46.1	29%	0.287	24%	0.236	S	C	.	.	H	α-helix	trans	-69.9	-45.1	-178.6	-66.2	171.4	0	0	0	110.3	L681 Y690 E724 E725 T730 Q731 V732	L681-I728 HydrophobicContact CD1-CD1 4.08Å; L681-I728 HydrophobicContact CD2-CD1 3.98Å; L681-I728 HydrophobicContact CD2-CG2 4.41Å; Y690-I728 HydrophobicContact CE1-CG2 4.16Å; Y690-I728 HydrophobicContact CE2-CG2 4.02Å; E724-I728 HydrophobicContact CG-CD1 4Å; E724-I728 WeakPolarHBondContact O-CG1 3.41Å; E724-I728 PolarHBondContact O-N 2.89Å; E725-I728 PolarHBondContact O-N 2.9Å; I728-T730 VanDerWaalsContact C-N 3.25Å; I728-T730 PolarHBondContact O-N 2.9Å; I728-Q731 PolarHBondContact O-N 3.06Å; I728-V732 HydrophobicContact CG2-CG2 3.96Å; I728-V732 WeakPolarHBondContact O-CB 3.36Å; I728-V732 VanDerWaalsContact O-CG2 3.3Å; I728-V732 WeakPolarHBondContact O-CG2 3.35Å; I728-V732 PolarHBondContact O-N 2.87Å
729	A	96.7	Very high	96.1	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-53.7	-43.9	173.7	0	0	0	0	0	111.7	Y690 L707 E725 W733 L735	Y690-A729 WeakPolarHBondContact OH-CA 3.34Å; Y690-A729 PolarHBondContact OH-N 3.24Å; L707-A729 HydrophobicContact CD1-CB 3.91Å; L707-A729 HydrophobicContact CD2-CB 4.45Å; E725-A729 WeakPolarHBondContact O-CB 3.49Å; E725-A729 PolarHBondContact O-N 2.72Å; A729-W733 HydrophobicContact CB-CE3 3.6Å; A729-W733 HydrophobicContact CB-CZ3 3.55Å; A729-W733 WeakPolarHBondContact O-CB 3.32Å; A729-W733 PolarHBondContact O-N 2.86Å; A729-L735 HydrophobicContact CB-CD1 4.07Å
730	T	95.7	Very high	96.5	Very high	22 Å²	22	40.6 Å²	40.6	14%	0.135	21%	0.209	C	C	.	.	H	α-helix	trans	-65.4	-45.8	178.2	-61.9	0	0	0	0	112.6	Y726 S727 I728 K734 L735 M740	Y726-T730 WeakPolarHBondContact O-CB 3.39Å; Y726-T730 PolarHBondContact O-N 3.07Å; Y726-T730 VanDerWaalsContact O-N 3.08Å; Y726-T730 PolarHBondContact O-OG1 3.15Å; S727-T730 PolarHBondContact O-N 3.37Å; I728-T730 VanDerWaalsContact C-N 3.25Å; I728-T730 PolarHBondContact O-N 2.9Å; T730-K734 WeakPolarHBondContact O-CA 3.23Å; T730-K734 PolarHBondContact O-N 3.03Å; T730-L735 PolarHBondContact O-N 3.4Å; T730-M740 HydrophobicContact CG2-CE 4.42Å; T730-M740 HydrophobicContact CG2-SD 4.1Å; T730-M740 WeakPolarHBondContact OG1-CG 3.5Å; T730-M740 PolarHBondContact OG1-SD 3.17Å
731	Q	95.4	Very high	96.7	Very high	156 Å²	156	37 Å²	37	73%	0.729	19%	0.192	S	C	*	.	H	α-helix	trans	-71.5	-36.1	179.7	-63.9	-55.6	-45.4	0	0	112.9	S727 I728	S727-Q731 WeakPolarHBondContact O-CG 3.39Å; S727-Q731 PolarHBondContact O-N 3.44Å; I728-Q731 PolarHBondContact O-N 3.06Å
732	V	95.8	Very high	96.8	Very high	51 Å²	51	36.6 Å²	36.6	31%	0.309	19%	0.188	S	C	.	.	H	α-helix	trans	-81.3	-41.3	-175.6	176.7	0	0	0	0	112.4	Y690 H691 I728	Y690-V732 HydrophobicContact CD1-CB 4.21Å; Y690-V732 HydrophobicContact CD1-CG1 3.76Å; Y690-V732 HydrophobicContact CD1-CG2 4.4Å; Y690-V732 HydrophobicContact CE1-CB 4.01Å; Y690-V732 HydrophobicContact CE1-CG1 4.04Å; Y690-V732 HydrophobicContact CE1-CG2 4.28Å; H691-V732 WeakPolarHBondContact ND1-CG1 3.43Å; I728-V732 HydrophobicContact CG2-CG2 3.96Å; I728-V732 WeakPolarHBondContact O-CB 3.36Å; I728-V732 VanDerWaalsContact O-CG2 3.3Å; I728-V732 WeakPolarHBondContact O-CG2 3.35Å; I728-V732 PolarHBondContact O-N 2.87Å
733	W	96.6	Very high	96.9	Very high	44 Å²	44	36.3 Å²	36.3	17%	0.167	19%	0.187	C	C	.	.	H	α-helix	trans	-103.4	-2	-177.4	-54.3	-44.5	0	0	0	114.3	P680 Y690 N693 L695 P696 A729 L735	P680-W733 HydrophobicContact CB-CH2 3.81Å; P680-W733 HydrophobicContact CB-CZ2 4.43Å; P680-W733 HydrophobicContact CG-CH2 3.57Å; P680-W733 HydrophobicContact CG-CZ3 4.23Å; Y690-W733 AromaticContact CD1-CE2 3.85Å; Y690-W733 HydrophobicContact CD1-CH2 4.42Å; Y690-W733 AromaticContact CD1-CZ2 3.61Å; Y690-W733 HydrophobicContact CD1-CZ2 3.61Å; Y690-W733 AromaticContact CD1-NE1 3.98Å; Y690-W733 HydrophobicContact CE1-CD2 4.17Å; Y690-W733 AromaticContact CE1-CE2 3.54Å; Y690-W733 HydrophobicContact CE1-CE3 4.48Å; Y690-W733 AromaticContact CE1-CH2 3.71Å; Y690-W733 HydrophobicContact CE1-CH2 3.71Å; Y690-W733 AromaticContact CE1-CZ2 3.27Å; Y690-W733 HydrophobicContact CE1-CZ2 3.27Å; Y690-W733 HydrophobicContact CE1-CZ3 4.28Å; Y690-W733 AromaticContact CZ-CH2 3.95Å; Y690-W733 AromaticContact CZ-CZ2 3.96Å; N693-W733 HydrophobicContact CB-CZ2 4.01Å; L695-W733 HydrophobicContact CB-CH2 4.06Å; L695-W733 HydrophobicContact CB-CZ3 4.22Å; L695-W733 HydrophobicContact CD1-CH2 4.27Å; L695-W733 HydrophobicContact CD1-CZ3 4.07Å; L695-W733 HydrophobicContact CD2-CZ3 3.95Å; L695-W733 HydrophobicContact CG-CZ3 4.32Å; P696-W733 HydrophobicContact CB-CG 4.47Å; P696-W733 HydrophobicContact CG-CB 4.01Å; P696-W733 HydrophobicContact CG-CD2 3.32Å; P696-W733 HydrophobicContact CG-CE3 3.71Å; P696-W733 HydrophobicContact CG-CG 3.46Å; P696-W733 VanDerWaalsContact CG-CG 3.46Å; P696-W733 HydrophobicContact CG-CH2 4.47Å; P696-W733 HydrophobicContact CG-CZ2 4.19Å; P696-W733 HydrophobicContact CG-CZ3 4.26Å; A729-W733 HydrophobicContact CB-CE3 3.6Å; A729-W733 HydrophobicContact CB-CZ3 3.55Å; A729-W733 WeakPolarHBondContact O-CB 3.32Å; A729-W733 PolarHBondContact O-N 2.86Å; W733-L735 VanDerWaalsContact C-N 3.34Å; W733-L735 HydrophobicContact CB-CD2 4.26Å; W733-L735 HydrophobicContact CB-CG 4.32Å; W733-L735 HydrophobicContact CE3-CD1 4.37Å; W733-L735 PolarHBondContact O-N 3.25Å
734	K	95.4	Very high	97	Very high	187 Å²	187	35.4 Å²	35.4	81%	0.813	18%	0.182	S	C	*	.			trans	59.3	40.1	-180	-53.5	-175.4	-179.3	-177.3	0	113.6	T730	T730-K734 WeakPolarHBondContact O-CA 3.23Å; T730-K734 PolarHBondContact O-N 3.03Å
735	L	96.2	Very high	97	Very high	19 Å²	19	36.1 Å²	36.1	10%	0.099	18%	0.184	C	C	.	.			trans	-59.7	135.8	175.4	-58	-178.1	0	0	0	110.5	L699 A729 T730 W733 D739 L743	L699-L735 HydrophobicContact CD2-CD2 4.32Å; A729-L735 HydrophobicContact CB-CD1 4.07Å; T730-L735 PolarHBondContact O-N 3.4Å; W733-L735 VanDerWaalsContact C-N 3.34Å; W733-L735 HydrophobicContact CB-CD2 4.26Å; W733-L735 HydrophobicContact CB-CG 4.32Å; W733-L735 HydrophobicContact CE3-CD1 4.37Å; W733-L735 PolarHBondContact O-N 3.25Å; L735-D739 HydrophobicContact CB-CB 4.11Å; L735-D739 HydrophobicContact CD2-CB 4.36Å; L735-L743 HydrophobicContact CD1-CD1 3.86Å
736	S	96.3	Very high	97.1	Very high	24 Å²	24	36.7 Å²	36.7	17%	0.168	19%	0.187	C	C	.	.			trans	-75.8	167.3	174.3	72.5	0	0	0	0	111.6	C738 D739 M740	S736-C738 PolarHBondContact O-N 3.48Å; S736-C738 WeakPolarHBondContact OG-CB 3.3Å; S736-C738 PolarHBondContact OG-N 3.49Å; S736-D739 WeakPolarHBondContact CA-OD2 3.2Å; S736-D739 VanDerWaalsContact CB-OD2 3.24Å; S736-D739 WeakPolarHBondContact CB-OD2 3.26Å; S736-D739 PolarHBondContact N-OD2 3.2Å; S736-D739 PolarHBondContact O-N 2.94Å; S736-D739 VanDerWaalsContact O-N 3.12Å; S736-D739 PolarHBondContact OG-N 2.87Å; S736-D739 VanDerWaalsContact OG-N 3.13Å; S736-D739 PolarHBondContact OG-OD2 2.89Å; S736-M740 PolarHBondContact O-N 3.21Å
737	S	95.5	Very high	97.1	Very high	42 Å²	42	36.7 Å²	36.7	29%	0.294	19%	0.187	S	C	.	.	H	α-helix	trans	-57.1	-30	167.9	171.8	0	0	0	0	112.3	Q347 C741	Q347-S737 PolarHBondContact NE2-O 2.83Å; Q347-S737 VanDerWaalsContact NE2-O 3.12Å; Q347-S737 PolarHBondContact NE2-OG 2.6Å; Q347-S737 PolarHBondContact OE1-OG 2.79Å; S737-C741 WeakPolarHBondContact O-CB 3.29Å; S737-C741 PolarHBondContact O-N 3.3Å; S737-C741 PolarHBondContact O-SG 3.48Å
738	C	97.1	Very high	97.2	Very high	4 Å²	4	34 Å²	34	3%	0.027	17%	0.168	C	C	.	.	H	α-helix	trans	-69.4	-44.4	174.3	-172.4	0	0	0	0	111.4	S736 C741 E742 R785	S736-C738 PolarHBondContact O-N 3.48Å; S736-C738 WeakPolarHBondContact OG-CB 3.3Å; S736-C738 PolarHBondContact OG-N 3.49Å; C738-C741 PolarHBondContact O-N 2.97Å; C738-E742 WeakPolarHBondContact O-CB 3.4Å; C738-E742 PolarHBondContact O-N 3.14Å; C738-R785 PolarHBondContact SG-NH2 3.37Å
739	D	98.3	Very high	97.1	Very high	19 Å²	19	33.1 Å²	33.1	10%	0.102	16%	0.164	C	C	.	.	H	α-helix	trans	-67	-41.8	-178.5	-51.7	-43.9	0	0	0	111.9	L699 L735 S736 C741 E742 L743 R785	L699-D739 HydrophobicContact CD2-CB 4.2Å; L735-D739 HydrophobicContact CB-CB 4.11Å; L735-D739 HydrophobicContact CD2-CB 4.36Å; S736-D739 WeakPolarHBondContact CA-OD2 3.2Å; S736-D739 VanDerWaalsContact CB-OD2 3.24Å; S736-D739 WeakPolarHBondContact CB-OD2 3.26Å; S736-D739 PolarHBondContact N-OD2 3.2Å; S736-D739 PolarHBondContact O-N 2.94Å; S736-D739 VanDerWaalsContact O-N 3.12Å; S736-D739 PolarHBondContact OG-N 2.87Å; S736-D739 VanDerWaalsContact OG-N 3.13Å; S736-D739 PolarHBondContact OG-OD2 2.89Å; D739-C741 VanDerWaalsContact C-N 3.3Å; D739-C741 PolarHBondContact O-N 2.93Å; D739-E742 PolarHBondContact O-N 2.77Å; D739-L743 WeakPolarHBondContact O-CG 3.42Å; D739-L743 PolarHBondContact O-N 3.32Å; D739-R785 IonicContact OD1-CZ 2.7Å; D739-R785 VanDerWaalsContact OD1-CZ 3.29Å; D739-R785 IonicContact OD1-NH1 3.02Å; D739-R785 PolarHBondContact OD1-NH1 2.9Å; D739-R785 IonicContact OD1-NH2 2.68Å; D739-R785 PolarHBondContact OD1-NH2 3.03Å
740	M	97.8	Very high	97	Very high	27 Å²	27	33.5 Å²	33.5	13%	0.133	17%	0.166	C	C	.	.	H	α-helix	trans	-59.8	-39.2	172.5	-73.6	-165.9	-72.2	0	0	112.4	F355 T730 S736 A744	F355-M740 HydrophobicContact CB-CE 4.27Å; F355-M740 HydrophobicContact CD1-CE 4.35Å; F355-M740 HydrophobicContact CD1-SD 3.86Å; F355-M740 HydrophobicContact CD2-CB 3.62Å; F355-M740 HydrophobicContact CD2-CG 4.48Å; F355-M740 HydrophobicContact CD2-SD 4.21Å; F355-M740 HydrophobicContact CE1-SD 3.99Å; F355-M740 HydrophobicContact CE2-CB 3.84Å; F355-M740 HydrophobicContact CE2-CG 4.49Å; F355-M740 HydrophobicContact CE2-SD 4.33Å; F355-M740 HydrophobicContact CG-CB 4.18Å; F355-M740 HydrophobicContact CG-CE 4.19Å; F355-M740 HydrophobicContact CG-SD 3.97Å; F355-M740 HydrophobicContact CZ-SD 4.23Å; T730-M740 HydrophobicContact CG2-CE 4.42Å; T730-M740 HydrophobicContact CG2-SD 4.1Å; T730-M740 WeakPolarHBondContact OG1-CG 3.5Å; T730-M740 PolarHBondContact OG1-SD 3.17Å; S736-M740 PolarHBondContact O-N 3.21Å; M740-A744 WeakPolarHBondContact O-CB 3.39Å; M740-A744 PolarHBondContact O-N 3.42Å; M740-A744 VanDerWaalsContact O-N 3.12Å
741	C	98.1	Very high	97.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-73.8	-32.8	177.3	-63	0	0	0	0	112	I358 S737 C738 D739 A744 R745 N780 V781	I358-C741 HydrophobicContact CD1-CB 3.76Å; I358-C741 VanDerWaalsContact CD1-SG 3.52Å; S737-C741 WeakPolarHBondContact O-CB 3.29Å; S737-C741 PolarHBondContact O-N 3.3Å; S737-C741 PolarHBondContact O-SG 3.48Å; C738-C741 PolarHBondContact O-N 2.97Å; D739-C741 VanDerWaalsContact C-N 3.3Å; D739-C741 PolarHBondContact O-N 2.93Å; C741-A744 PolarHBondContact O-N 2.55Å; C741-R745 WeakPolarHBondContact O-CB 3.45Å; C741-R745 PolarHBondContact O-N 3.18Å; C741-N780 HydrophobicContact CB-CB 4.46Å; C741-N780 PolarHBondContact SG-ND2 3.07Å; C741-V781 HydrophobicContact CB-CG2 3.77Å; C741-V781 VanDerWaalsContact O-CG2 3.31Å; C741-V781 WeakPolarHBondContact O-CG2 3.46Å
742	E	98.5	Very high	97	Very high	14 Å²	14	25.9 Å²	25.9	7%	0.065	13%	0.133	C	C	.	.	H	α-helix	trans	-65.2	-47.2	174.1	-176.3	166.9	-144.7	0	0	111.5	L699 C738 D739 A744 R745 N746 R785 R789	L699-E742 HydrophobicContact CD1-CG 4.38Å; C738-E742 WeakPolarHBondContact O-CB 3.4Å; C738-E742 PolarHBondContact O-N 3.14Å; D739-E742 PolarHBondContact O-N 2.77Å; E742-A744 VanDerWaalsContact C-N 3.33Å; E742-A744 PolarHBondContact O-N 2.9Å; E742-R745 PolarHBondContact O-N 3.4Å; E742-N746 WeakPolarHBondContact O-CB 3.47Å; E742-N746 PolarHBondContact O-N 2.86Å; E742-N746 PolarHBondContact O-OD1 2.87Å; E742-R785 IonicContact OE2-CZ 3.35Å; E742-R785 IonicContact OE2-NH1 3.14Å; E742-R785 PolarHBondContact OE2-NH1 3.48Å; E742-R789 WeakPolarHBondContact OE1-CG 3.48Å; E742-R789 IonicContact OE1-CZ 3.77Å; E742-R789 IonicContact OE1-NE 3.86Å; E742-R789 PolarHBondContact OE1-NE 3.1Å; E742-R789 IonicContact OE1-NH2 2.75Å; E742-R789 PolarHBondContact OE1-NH2 3.28Å; E742-R789 IonicContact OE2-CZ 2.7Å; E742-R789 IonicContact OE2-NE 3.17Å; E742-R789 IonicContact OE2-NH2 3.62Å; E742-R789 PolarHBondContact OE2-NH2 3.49Å
743	L	98.6	Very high	96.9	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-58.2	-43	173	-72.7	168.8	0	0	0	112.2	L695 L699 V705 L707 Y726 L735 D739 N746 S747	L695-L743 HydrophobicContact CD2-CD1 4.49Å; L695-L743 HydrophobicContact CD2-CD2 4.25Å; L699-L743 HydrophobicContact CD1-CD2 4.19Å; L699-L743 HydrophobicContact CD1-CG 4.43Å; L699-L743 HydrophobicContact CD2-CD1 4.09Å; L699-L743 HydrophobicContact CD2-CD2 4.17Å; L699-L743 HydrophobicContact CD2-CG 4.02Å; V705-L743 HydrophobicContact CB-CD2 4.47Å; V705-L743 HydrophobicContact CG2-CD2 3.81Å; L707-L743 HydrophobicContact CD1-CD1 4.05Å; L707-L743 HydrophobicContact CG-CD1 4.42Å; Y726-L743 HydrophobicContact CE1-CB 3.81Å; Y726-L743 HydrophobicContact CE1-CD1 4.44Å; Y726-L743 VanDerWaalsContact OH-C 3.32Å; Y726-L743 PolarHBondContact OH-O 2.93Å; L735-L743 HydrophobicContact CD1-CD1 3.86Å; D739-L743 WeakPolarHBondContact O-CG 3.42Å; D739-L743 PolarHBondContact O-N 3.32Å; L743-N746 PolarHBondContact O-N 3.31Å; L743-S747 PolarHBondContact O-N 2.85Å
744	A	98.4	Very high	96.6	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-64.2	-46.3	176.6	0	0	0	0	0	112	I358 K360 Y726 M740 C741 E742 N746 S747 V748	I358-A744 HydrophobicContact CD1-CB 3.63Å; I358-A744 HydrophobicContact CG1-CB 4.47Å; K360-A744 HydrophobicContact CB-CB 3.97Å; Y726-A744 WeakPolarHBondContact OH-CA 3.24Å; Y726-A744 PolarHBondContact OH-N 3.18Å; M740-A744 WeakPolarHBondContact O-CB 3.39Å; M740-A744 PolarHBondContact O-N 3.42Å; M740-A744 VanDerWaalsContact O-N 3.12Å; C741-A744 PolarHBondContact O-N 2.55Å; E742-A744 VanDerWaalsContact C-N 3.33Å; E742-A744 PolarHBondContact O-N 2.9Å; A744-N746 VanDerWaalsContact C-N 3.33Å; A744-N746 PolarHBondContact O-N 3.03Å; A744-S747 PolarHBondContact O-N 3.35Å; A744-S747 PolarHBondContact O-OG 2.93Å; A744-V748 PolarHBondContact O-N 3.32Å
745	R	98	Very high	96.3	Very high	36 Å²	36	16.4 Å²	16.4	14%	0.136	10%	0.096	C	C	.	.	H	α-helix	trans	-58.2	-43	174.5	-177.3	178.5	-179	-82.2	-2.8	111.6	C741 E742 V748 L749 L762 G773 N774 T779 V781	C741-R745 WeakPolarHBondContact O-CB 3.45Å; C741-R745 PolarHBondContact O-N 3.18Å; E742-R745 PolarHBondContact O-N 3.4Å; R745-V748 PolarHBondContact O-N 3.03Å; R745-L749 HydrophobicContact CG-CD1 4.3Å; R745-L749 WeakPolarHBondContact O-CG 3.37Å; R745-L749 PolarHBondContact O-N 3.41Å; R745-L762 HydrophobicContact CG-CD2 4.14Å; R745-G773 PolarHBondContact NH2-O 2.81Å; R745-N774 PolarHBondContact NE-OD1 3.35Å; R745-T779 HydrophobicContact CG-CG2 4.24Å; R745-V781 HydrophobicContact CB-CG2 4.03Å
746	N	98.4	Very high	95.9	Very high	12 Å²	12	19.8 Å²	19.8	6%	0.064	11%	0.11	C	C	.	.	H	α-helix	trans	-63.7	-41.9	177.5	-69.7	-7.8	0	0	0	112.1	M704 V705 E742 L743 A744 V748 L749 M750	M704-N746 HydrophobicContact CG-CB 4.12Å; V705-N746 VanDerWaalsContact O-CB 3.24Å; V705-N746 WeakPolarHBondContact O-CB 3.25Å; V705-N746 PolarHBondContact O-ND2 3.05Å; V705-N746 VanDerWaalsContact O-ND2 3.09Å; E742-N746 WeakPolarHBondContact O-CB 3.47Å; E742-N746 PolarHBondContact O-N 2.86Å; E742-N746 PolarHBondContact O-OD1 2.87Å; L743-N746 PolarHBondContact O-N 3.31Å; A744-N746 VanDerWaalsContact C-N 3.33Å; A744-N746 PolarHBondContact O-N 3.03Å; N746-V748 VanDerWaalsContact C-N 3.31Å; N746-V748 PolarHBondContact O-N 2.82Å; N746-L749 PolarHBondContact O-N 3.16Å; N746-L749 VanDerWaalsContact O-N 3.16Å; N746-M750 PolarHBondContact O-N 3.36Å
747	S	98.6	Very high	95.7	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-58.5	-42.6	176.4	75.7	0	0	0	0	112.2	V361 T363 L743 A744 S751	V361-S747 PolarHBondContact N-OG 2.89Å; V361-S747 VanDerWaalsContact O-CB 3.26Å; V361-S747 WeakPolarHBondContact O-CB 3.44Å; V361-S747 PolarHBondContact O-OG 3.37Å; T363-S747 WeakPolarHBondContact CG2-O 3.41Å; L743-S747 PolarHBondContact O-N 2.85Å; A744-S747 PolarHBondContact O-N 3.35Å; A744-S747 PolarHBondContact O-OG 2.93Å; S747-S751 WeakPolarHBondContact O-CB 3.3Å; S747-S751 PolarHBondContact O-N 3.05Å; S747-S751 VanDerWaalsContact O-N 3.15Å
748	V	98.2	Very high	95.7	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-65.6	-44.5	174.8	176.1	0	0	0	0	111.1	R359 V361 A744 R745 N746 M750 S751 K758 W761 L762	R359-V748 HydrophobicContact CB-CG2 3.82Å; V361-V748 HydrophobicContact CG2-CG2 4.06Å; A744-V748 PolarHBondContact O-N 3.32Å; R745-V748 PolarHBondContact O-N 3.03Å; N746-V748 VanDerWaalsContact C-N 3.31Å; N746-V748 PolarHBondContact O-N 2.82Å; V748-M750 PolarHBondContact O-N 2.87Å; V748-S751 PolarHBondContact O-N 3.21Å; V748-S751 PolarHBondContact O-OG 3.14Å; V748-K758 HydrophobicContact CG1-CG 4.29Å; V748-K758 WeakPolarHBondContact O-CE 3.33Å; V748-W761 HydrophobicContact CG1-CB 4.34Å; V748-W761 HydrophobicContact CG1-CE3 3.81Å; V748-W761 HydrophobicContact CG2-CE3 4.29Å; V748-L762 HydrophobicContact CB-CD1 4.44Å; V748-L762 HydrophobicContact CB-CD2 4.09Å; V748-L762 HydrophobicContact CB-CG 4.44Å; V748-L762 HydrophobicContact CG1-CD1 3.8Å; V748-L762 HydrophobicContact CG1-CD2 3.86Å; V748-L762 HydrophobicContact CG1-CG 3.71Å
749	L	96.4	Very high	95.5	Very high	39 Å²	39	19 Å²	19	20%	0.204	10%	0.1	C	C	.	.	H	α-helix	trans	-58.9	-46.6	179.7	-77.7	171.2	0	0	0	112.5	M704 R745 N746 K758 L762 Y766	M704-L749 HydrophobicContact SD-CB 4.46Å; R745-L749 HydrophobicContact CG-CD1 4.3Å; R745-L749 WeakPolarHBondContact O-CG 3.37Å; R745-L749 PolarHBondContact O-N 3.41Å; N746-L749 PolarHBondContact O-N 3.16Å; N746-L749 VanDerWaalsContact O-N 3.16Å; L749-K758 PolarHBondContact O-NZ 3.38Å; L749-L762 HydrophobicContact CD2-CD1 3.54Å; L749-L762 HydrophobicContact CG-CD1 3.88Å; L749-Y766 HydrophobicContact CD2-CD2 4.04Å; L749-Y766 HydrophobicContact CD2-CE2 4.37Å
750	M	94.8	Very high	95.2	Very high	7 Å²	7	18.5 Å²	18.5	3%	0.034	10%	0.097	C	C	.	.	H	α-helix	trans	-81.6	-17.6	-175.1	79.1	171.5	70.1	0	0	114.6	T363 R631 N652 M704 S706 N746 V748	T363-M750 HydrophobicContact CG2-CG 3.8Å; T363-M750 HydrophobicContact CG2-SD 4.24Å; R631-M750 VanDerWaalsContact CZ-O 3.31Å; R631-M750 PolarHBondContact NH2-O 3.01Å; N652-M750 PolarHBondContact ND2-O 3.3Å; M704-M750 HydrophobicContact CG-CE 4.12Å; M704-M750 WeakPolarHBondContact O-CE 3.49Å; S706-M750 WeakPolarHBondContact OG-CE 3.39Å; S706-M750 PolarHBondContact OG-SD 2.87Å; S706-M750 VanDerWaalsContact OG-SD 3.36Å; N746-M750 PolarHBondContact O-N 3.36Å; V748-M750 PolarHBondContact O-N 2.87Å
751	S	96.2	Very high	95	Very high	2 Å²	2	17.4 Å²	17.4	1%	0.014	9%	0.091	C	C	.	.	S	Bend	trans	-61.5	166.9	177.2	70.5	0	0	0	0	114.1	E484 R631 S747 V748 K758	E484-S751 VanDerWaalsContact OE1-CA 3.22Å; E484-S751 WeakPolarHBondContact OE1-CA 3.45Å; E484-S751 WeakPolarHBondContact OE1-CB 3.34Å; R631-S751 VanDerWaalsContact NH2-C 3.28Å; S747-S751 WeakPolarHBondContact O-CB 3.3Å; S747-S751 PolarHBondContact O-N 3.05Å; S747-S751 VanDerWaalsContact O-N 3.15Å; V748-S751 PolarHBondContact O-N 3.21Å; V748-S751 PolarHBondContact O-OG 3.14Å; S751-K758 VanDerWaalsContact O-CE 3.25Å; S751-K758 WeakPolarHBondContact O-CE 3.32Å; S751-K758 PolarHBondContact O-NZ 3.36Å
752	G	93.2	Very high	94.8	Very high	16 Å²	16	17.6 Å²	17.6	17%	0.165	9%	0.092	C	C	.	.			trans	-91	-4.4	179.5	0	0	0	0	0	115.4	E484 D568 R631 S754	E484-G752 PolarHBondContact OE1-N 3.29Å; D568-G752 WeakPolarHBondContact OD2-CA 3.38Å; R631-G752 VanDerWaalsContact NH2-N 3.14Å; G752-S754 PolarHBondContact O-N 2.87Å
753	F	94.1	Very high	94.5	Very high	6 Å²	6	17 Å²	17	3%	0.026	9%	0.09	C	C	.	.			trans	-50.2	138.6	174.6	-72	-86.7	0	0	0	112.2	V361 N482 N513 R515 V757 K758 W761	V361-F753 HydrophobicContact CG1-CD2 4.48Å; V361-F753 HydrophobicContact CG1-CE2 3.94Å; V361-F753 HydrophobicContact CG2-CD2 4.27Å; V361-F753 HydrophobicContact CG2-CE2 4.21Å; N482-F753 HydrophobicContact CB-CE2 4.19Å; N482-F753 HydrophobicContact CB-CZ 4.12Å; N513-F753 WeakPolarHBondContact O-CZ 3.49Å; R515-F753 HydrophobicContact CB-CE2 4.38Å; R515-F753 HydrophobicContact CB-CZ 4.28Å; R515-F753 HydrophobicContact CG-CD1 3.81Å; R515-F753 HydrophobicContact CG-CD2 4.01Å; R515-F753 HydrophobicContact CG-CE1 3.58Å; R515-F753 HydrophobicContact CG-CE2 3.78Å; R515-F753 HydrophobicContact CG-CG 4.02Å; R515-F753 HydrophobicContact CG-CZ 3.55Å; F753-V757 HydrophobicContact CB-CB 4.34Å; F753-V757 HydrophobicContact CB-CG1 4.06Å; F753-V757 HydrophobicContact CD1-CG1 4.08Å; F753-V757 HydrophobicContact CG-CG1 4.38Å; F753-K758 WeakPolarHBondContact O-CD 3.29Å; F753-K758 WeakPolarHBondContact O-CE 3.45Å; F753-W761 HydrophobicContact CB-CH2 4.42Å; F753-W761 HydrophobicContact CB-CZ3 4.14Å; F753-W761 AromaticContact CD1-CH2 3.62Å; F753-W761 HydrophobicContact CD1-CH2 3.62Å; F753-W761 HydrophobicContact CD1-CZ2 4.47Å; F753-W761 HydrophobicContact CD1-CZ3 4.15Å; F753-W761 AromaticContact CD2-CH2 3.99Å; F753-W761 HydrophobicContact CD2-CH2 3.99Å; F753-W761 AromaticContact CD2-CZ3 3.84Å; F753-W761 HydrophobicContact CD2-CZ3 3.84Å; F753-W761 AromaticContact CE1-CH2 3.79Å; F753-W761 HydrophobicContact CE1-CH2 3.79Å; F753-W761 HydrophobicContact CE2-CH2 4.16Å; F753-W761 HydrophobicContact CE2-CZ3 4.3Å; F753-W761 AromaticContact CG-CH2 3.74Å; F753-W761 HydrophobicContact CG-CH2 3.74Å; F753-W761 AromaticContact CG-CZ3 3.77Å; F753-W761 HydrophobicContact CG-CZ3 3.77Å; F753-W761 HydrophobicContact CZ-CH2 4.07Å
754	S	90.5	Very high	94.1	Very high	52 Å²	52	18 Å²	18	36%	0.364	10%	0.097	S	C	.	.			trans	-61.2	157.9	-170.1	72.4	0	0	0	0	114	G752 K756 V757 K758	G752-S754 PolarHBondContact O-N 2.87Å; S754-K756 PolarHBondContact O-N 3.18Å; S754-K756 VanDerWaalsContact O-N 3.17Å; S754-V757 PolarHBondContact O-N 3.49Å; S754-K758 PolarHBondContact O-N 3.4Å
755	H	89.3	Confident	93.7	Very high	26 Å²	26	22 Å²	22	12%	0.12	12%	0.118	C	C	.	.	H	α-helix	trans	-46.2	-47.7	176.5	173.2	-104.2	0	0	0	112.1	Q231 D234 V757 K758 S759 Y766	Q231-H755 PolarHBondContact OE1-CD2 3.29Å; D234-H755 PolarHBondContact O-CE1 3.2Å; D234-H755 VanDerWaalsContact O-CE1 3.27Å; D234-H755 PolarHBondContact O-ND1 3.16Å; H755-V757 PolarHBondContact O-N 2.91Å; H755-K758 PolarHBondContact O-N 3.16Å; H755-S759 VanDerWaalsContact O-CB 3.25Å; H755-S759 WeakPolarHBondContact O-CB 3.4Å; H755-S759 PolarHBondContact O-N 3.01Å; H755-Y766 AromaticContact CD2-CE1 3.64Å; H755-Y766 AromaticContact CD2-CZ 3.82Å; H755-Y766 PolarHBondContact CD2-OH 2.87Å; H755-Y766 VanDerWaalsContact CD2-OH 3.29Å; H755-Y766 AromaticContact NE2-CE1 3.84Å
756	K	88.6	Confident	93.5	Very high	90 Å²	90	21.2 Å²	21.2	39%	0.391	12%	0.115	S	C	.	.	H	α-helix	trans	-60.6	-42.6	177.8	-175.7	173.5	-173.6	172.9	0	112.9	D234 V237 S754 S759 H760	D234-K756 WeakPolarHBondContact OD2-CB 3.06Å; V237-K756 HydrophobicContact CG1-CG 4.42Å; S754-K756 PolarHBondContact O-N 3.18Å; S754-K756 VanDerWaalsContact O-N 3.17Å; K756-S759 PolarHBondContact O-N 3.32Å; K756-H760 PolarHBondContact O-N 3.3Å; K756-H760 PolarHBondContact O-ND1 2.99Å
757	V	91.6	Very high	93.1	Very high	29 Å²	29	24.4 Å²	24.4	18%	0.176	14%	0.135	C	C	.	.	H	α-helix	trans	-66.5	-48.7	176.5	173.4	0	0	0	0	110.8	P245 F753 S754 H755 S759 H760 W761	P245-V757 HydrophobicContact CG-CG1 4.26Å; P245-V757 HydrophobicContact CG-CG2 4.28Å; F753-V757 HydrophobicContact CB-CB 4.34Å; F753-V757 HydrophobicContact CB-CG1 4.06Å; F753-V757 HydrophobicContact CD1-CG1 4.08Å; F753-V757 HydrophobicContact CG-CG1 4.38Å; S754-V757 PolarHBondContact O-N 3.49Å; H755-V757 PolarHBondContact O-N 2.91Å; V757-S759 PolarHBondContact O-N 2.93Å; V757-H760 PolarHBondContact O-N 3.28Å; V757-H760 VanDerWaalsContact O-N 3.1Å; V757-W761 HydrophobicContact CG1-CD2 3.74Å; V757-W761 HydrophobicContact CG1-CE3 3.99Å; V757-W761 HydrophobicContact CG1-CG 4.49Å; V757-W761 HydrophobicContact CG1-CH2 3.59Å; V757-W761 HydrophobicContact CG1-CZ2 3.32Å; V757-W761 HydrophobicContact CG1-CZ3 3.92Å; V757-W761 PolarHBondContact O-N 3.46Å; V757-W761 VanDerWaalsContact O-N 3.14Å
758	K	94.3	Very high	92.8	Very high	23 Å²	23	29 Å²	29	10%	0.1	16%	0.155	C	C	.	.	H	α-helix	trans	-58.4	-35.6	175.3	-69.7	-177.9	179.3	-176.8	0	112.4	V748 L749 S751 F753 S754 H755 W761 L762 Y766	V748-K758 HydrophobicContact CG1-CG 4.29Å; V748-K758 WeakPolarHBondContact O-CE 3.33Å; L749-K758 PolarHBondContact O-NZ 3.38Å; S751-K758 VanDerWaalsContact O-CE 3.25Å; S751-K758 WeakPolarHBondContact O-CE 3.32Å; S751-K758 PolarHBondContact O-NZ 3.36Å; F753-K758 WeakPolarHBondContact O-CD 3.29Å; F753-K758 WeakPolarHBondContact O-CE 3.45Å; S754-K758 PolarHBondContact O-N 3.4Å; H755-K758 PolarHBondContact O-N 3.16Å; K758-W761 PolarHBondContact O-N 3.08Å; K758-W761 VanDerWaalsContact O-N 3.13Å; K758-L762 WeakPolarHBondContact O-CB 3.48Å; K758-L762 PolarHBondContact O-N 3.07Å; K758-Y766 HydrophobicContact CB-CE1 3.84Å; K758-Y766 HydrophobicContact CB-CE2 3.94Å; K758-Y766 VanDerWaalsContact CB-CZ 3.49Å; K758-Y766 WeakPolarHBondContact CB-OH 3.4Å; K758-Y766 HydrophobicContact CD-CE2 4.2Å
759	S	92.9	Very high	92.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-64.1	-37.6	175.5	-169.7	0	0	0	0	112.9	V237 H755 K756 V757 G763	V237-S759 PolarHBondContact N-OG 3.24Å; H755-S759 VanDerWaalsContact O-CB 3.25Å; H755-S759 WeakPolarHBondContact O-CB 3.4Å; H755-S759 PolarHBondContact O-N 3.01Å; K756-S759 PolarHBondContact O-N 3.32Å; V757-S759 PolarHBondContact O-N 2.93Å; S759-G763 CarbonylContact O-C 3.55Å; S759-G763 VanDerWaalsContact O-CA 3.24Å; S759-G763 WeakPolarHBondContact O-CA 3.3Å; S759-G763 PolarHBondContact O-N 3.23Å
760	H	91.8	Very high	92.3	Very high	9 Å²	9	30.4 Å²	30.4	4%	0.042	16%	0.163	C	C	.	.	H	α-helix	trans	-66.3	-39.3	170.3	-66.2	78.8	0	0	0	111.5	V237 P242 P245 K756 V757 R778	V237-H760 VanDerWaalsContact CG1-CE1 3.43Å; V237-H760 WeakPolarHBondContact CG1-CE1 3.28Å; P242-H760 PolarHBondContact O-CD2 3.18Å; P242-H760 VanDerWaalsContact O-CD2 3.24Å; P245-H760 HydrophobicContact CG-CB 4.07Å; K756-H760 PolarHBondContact O-N 3.3Å; K756-H760 PolarHBondContact O-ND1 2.99Å; V757-H760 PolarHBondContact O-N 3.28Å; V757-H760 VanDerWaalsContact O-N 3.1Å; H760-R778 PolarHBondContact O-NH1 3Å
761	W	94.5	Very high	92.2	Very high	5 Å²	5	31.2 Å²	31.2	2%	0.019	17%	0.169	C	C	.	.	H	α-helix	trans	-82.3	-32.4	-171.3	-66.4	-3.7	0	0	0	115	R359 V361 N482 V748 F753 V757 K758	R359-W761 HydrophobicContact CB-CB 4.14Å; R359-W761 HydrophobicContact CB-CD2 4.34Å; R359-W761 HydrophobicContact CB-CE3 4.46Å; R359-W761 HydrophobicContact CB-CG 4.22Å; R359-W761 HydrophobicContact CG-CB 3.79Å; R359-W761 HydrophobicContact CG-CD2 3.88Å; R359-W761 HydrophobicContact CG-CE3 4.46Å; R359-W761 HydrophobicContact CG-CG 3.55Å; V361-W761 HydrophobicContact CG2-CZ3 4.08Å; N482-W761 HydrophobicContact CB-CH2 4.13Å; N482-W761 VanDerWaalsContact CG-CH2 3.41Å; N482-W761 WeakPolarHBondContact ND2-CH2 3.25Å; N482-W761 WeakPolarHBondContact OD1-CH2 3.44Å; V748-W761 HydrophobicContact CG1-CB 4.34Å; V748-W761 HydrophobicContact CG1-CE3 3.81Å; V748-W761 HydrophobicContact CG2-CE3 4.29Å; F753-W761 HydrophobicContact CB-CH2 4.42Å; F753-W761 HydrophobicContact CB-CZ3 4.14Å; F753-W761 AromaticContact CD1-CH2 3.62Å; F753-W761 HydrophobicContact CD1-CH2 3.62Å; F753-W761 HydrophobicContact CD1-CZ2 4.47Å; F753-W761 HydrophobicContact CD1-CZ3 4.15Å; F753-W761 AromaticContact CD2-CH2 3.99Å; F753-W761 HydrophobicContact CD2-CH2 3.99Å; F753-W761 AromaticContact CD2-CZ3 3.84Å; F753-W761 HydrophobicContact CD2-CZ3 3.84Å; F753-W761 AromaticContact CE1-CH2 3.79Å; F753-W761 HydrophobicContact CE1-CH2 3.79Å; F753-W761 HydrophobicContact CE2-CH2 4.16Å; F753-W761 HydrophobicContact CE2-CZ3 4.3Å; F753-W761 AromaticContact CG-CH2 3.74Å; F753-W761 HydrophobicContact CG-CH2 3.74Å; F753-W761 AromaticContact CG-CZ3 3.77Å; F753-W761 HydrophobicContact CG-CZ3 3.77Å; F753-W761 HydrophobicContact CZ-CH2 4.07Å; V757-W761 HydrophobicContact CG1-CD2 3.74Å; V757-W761 HydrophobicContact CG1-CE3 3.99Å; V757-W761 HydrophobicContact CG1-CG 4.49Å; V757-W761 HydrophobicContact CG1-CH2 3.59Å; V757-W761 HydrophobicContact CG1-CZ2 3.32Å; V757-W761 HydrophobicContact CG1-CZ3 3.92Å; V757-W761 PolarHBondContact O-N 3.46Å; V757-W761 VanDerWaalsContact O-N 3.14Å; K758-W761 PolarHBondContact O-N 3.08Å; K758-W761 VanDerWaalsContact O-N 3.13Å
762	L	94.3	Very high	92	Very high	4 Å²	4	35.8 Å²	35.8	2%	0.021	19%	0.19	C	C	.	.	H	α-helix	trans	-112.6	-24.1	-176.7	-60.8	-178.2	0	0	0	113.2	R745 V748 L749 K758 Y766 T779	R745-L762 HydrophobicContact CG-CD2 4.14Å; V748-L762 HydrophobicContact CB-CD1 4.44Å; V748-L762 HydrophobicContact CB-CD2 4.09Å; V748-L762 HydrophobicContact CB-CG 4.44Å; V748-L762 HydrophobicContact CG1-CD1 3.8Å; V748-L762 HydrophobicContact CG1-CD2 3.86Å; V748-L762 HydrophobicContact CG1-CG 3.71Å; L749-L762 HydrophobicContact CD2-CD1 3.54Å; L749-L762 HydrophobicContact CG-CD1 3.88Å; K758-L762 WeakPolarHBondContact O-CB 3.48Å; K758-L762 PolarHBondContact O-N 3.07Å; L762-Y766 HydrophobicContact CB-CD2 4.4Å; L762-Y766 HydrophobicContact CB-CG 3.99Å; L762-Y766 HydrophobicContact CD1-CD2 3.7Å; L762-Y766 HydrophobicContact CD1-CE2 4.35Å; L762-Y766 HydrophobicContact CD1-CG 4.15Å; L762-T779 HydrophobicContact CD2-CG2 3.89Å
763	G	91.9	Very high	92	Very high	2 Å²	2	35 Å²	35	2%	0.021	18%	0.183	C	C	.	.			trans	124.4	164	179.1	0	0	0	0	0	113.9	S759 N765 Y766 R778	S759-G763 CarbonylContact O-C 3.55Å; S759-G763 VanDerWaalsContact O-CA 3.24Å; S759-G763 WeakPolarHBondContact O-CA 3.3Å; S759-G763 PolarHBondContact O-N 3.23Å; G763-N765 PolarHBondContact O-N 2.9Å; G763-Y766 WeakPolarHBondContact O-CD1 3.25Å; G763-Y766 PolarHBondContact O-N 3.45Å; G763-R778 VanDerWaalsContact CA-CD 3.47Å
764	P	89.4	Confident	92	Very high	21 Å²	21	35.8 Å²	35.8	14%	0.136	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-35.7	-176.8	25.5	-36.7	0	0	0	112.8	P236 V237 A239	P236-P764 WeakPolarHBondContact CB-O 3.41Å; V237-P764 WeakPolarHBondContact O-CB 3.32Å; A239-P764 HydrophobicContact CB-CG 4.31Å
765	N	90.9	Very high	92.2	Very high	84 Å²	84	34 Å²	34	45%	0.449	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	9.3	-173.8	-66.4	-40.1	0	0	0	114.1	G763 T767 K768 E772 G773	G763-N765 PolarHBondContact O-N 2.9Å; N765-T767 PolarHBondContact O-N 3.38Å; N765-K768 HydrophobicContact CB-CD 4.19Å; N765-K768 HydrophobicContact CB-CG 4.4Å; N765-K768 WeakPolarHBondContact O-CB 3.42Å; N765-K768 PolarHBondContact O-N 2.94Å; N765-E772 VanDerWaalsContact CB-O 3.31Å; N765-E772 WeakPolarHBondContact CB-O 3.43Å; N765-G773 WeakPolarHBondContact O-CA 3.35Å
766	Y	93.1	Very high	92.4	Very high	19 Å²	19	33.8 Å²	33.8	8%	0.075	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-16.9	-165.3	88	-87.1	0	0	0	115.7	L749 H755 K758 L762 G763	L749-Y766 HydrophobicContact CD2-CD2 4.04Å; L749-Y766 HydrophobicContact CD2-CE2 4.37Å; H755-Y766 AromaticContact CD2-CE1 3.64Å; H755-Y766 AromaticContact CD2-CZ 3.82Å; H755-Y766 PolarHBondContact CD2-OH 2.87Å; H755-Y766 VanDerWaalsContact CD2-OH 3.29Å; H755-Y766 AromaticContact NE2-CE1 3.84Å; K758-Y766 HydrophobicContact CB-CE1 3.84Å; K758-Y766 HydrophobicContact CB-CE2 3.94Å; K758-Y766 VanDerWaalsContact CB-CZ 3.49Å; K758-Y766 WeakPolarHBondContact CB-OH 3.4Å; K758-Y766 HydrophobicContact CD-CE2 4.2Å; L762-Y766 HydrophobicContact CB-CD2 4.4Å; L762-Y766 HydrophobicContact CB-CG 3.99Å; L762-Y766 HydrophobicContact CD1-CD2 3.7Å; L762-Y766 HydrophobicContact CD1-CE2 4.35Å; L762-Y766 HydrophobicContact CD1-CG 4.15Å; G763-Y766 WeakPolarHBondContact O-CD1 3.25Å; G763-Y766 PolarHBondContact O-N 3.45Å
767	T	90.4	Very high	92.6	Very high	79 Å²	79	36.5 Å²	36.5	49%	0.485	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-9.9	175.7	49.8	0	0	0	0	114.2	N765	N765-T767 PolarHBondContact O-N 3.38Å
768	K	91.9	Very high	92.6	Very high	97 Å²	97	35.9 Å²	35.9	42%	0.422	18%	0.175	S	C	.	.	S	Bend	trans	-70.8	154.2	173.3	-73	-168.8	170.7	-168.7	0	112.1	N765 E772 G773	N765-K768 HydrophobicContact CB-CD 4.19Å; N765-K768 HydrophobicContact CB-CG 4.4Å; N765-K768 WeakPolarHBondContact O-CB 3.42Å; N765-K768 PolarHBondContact O-N 2.94Å; K768-E772 HydrophobicContact CB-CB 4.11Å; K768-E772 HydrophobicContact CD-CB 3.58Å; K768-E772 WeakPolarHBondContact CD-OE2 3.48Å; K768-E772 IonicContact NZ-OE2 3.74Å; K768-E772 PolarHBondContact NZ-OE2 3.29Å; K768-G773 WeakPolarHBondContact O-CA 3.31Å
769	E	91.1	Very high	92.6	Very high	57 Å²	57	35 Å²	35	27%	0.266	17%	0.172	S	C	.	.	S	Bend	trans	-74.9	150.5	171.9	-66.7	-176.6	-150.5	0	0	112.1	P210 T211 R214 H790	P210-E769 HydrophobicContact CB-CG 4.42Å; T211-E769 PolarHBondContact N-OE1 2.85Å; R214-E769 IonicContact CZ-OE2 3.8Å; R214-E769 VanDerWaalsContact CZ-OE2 3.27Å; R214-E769 IonicContact NE-OE1 3.21Å; R214-E769 PolarHBondContact NE-OE1 2.86Å; R214-E769 IonicContact NE-OE2 3.26Å; R214-E769 PolarHBondContact NE-OE2 3.37Å; R214-E769 IonicContact NH2-OE2 3.29Å; R214-E769 PolarHBondContact NH2-OE2 2.85Å; E769-H790 IonicContact OE2-CE1 2.89Å; E769-H790 PolarHBondContact OE2-CE1 2.71Å
770	G	92.7	Very high	92.8	Very high	10 Å²	10	35 Å²	35	10%	0.103	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	63.9	-156.3	173.1	0	0	0	0	0	115.3	E772 G773 V786 H790	G770-E772 PolarHBondContact O-N 2.69Å; G770-E772 VanDerWaalsContact O-N 3.16Å; G770-G773 PolarHBondContact O-N 2.71Å; G770-V786 WeakPolarHBondContact O-CG1 3.49Å; G770-H790 VanDerWaalsContact CA-CG 3.44Å
771	P	93.4	Very high	93.1	Very high	25 Å²	25	34.7 Å²	34.7	16%	0.162	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-57.9	-23	179.8	-28	36.5	0	0	0	114.9	G773 N774 D783	P771-G773 PolarHBondContact O-N 2.54Å; P771-N774 PolarHBondContact O-N 3.48Å; P771-D783 HydrophobicContact CB-CB 4.22Å
772	E	91.8	Very high	93.1	Very high	97 Å²	97	34.4 Å²	34.4	45%	0.453	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-69.1	-19.2	174.4	-59.7	-163.6	-174.4	0	0	113.4	N765 K768 G770 N774	N765-E772 VanDerWaalsContact CB-O 3.31Å; N765-E772 WeakPolarHBondContact CB-O 3.43Å; K768-E772 HydrophobicContact CB-CB 4.11Å; K768-E772 HydrophobicContact CD-CB 3.58Å; K768-E772 WeakPolarHBondContact CD-OE2 3.48Å; K768-E772 IonicContact NZ-OE2 3.74Å; K768-E772 PolarHBondContact NZ-OE2 3.29Å; G770-E772 PolarHBondContact O-N 2.69Å; G770-E772 VanDerWaalsContact O-N 3.16Å; E772-N774 VanDerWaalsContact C-N 3.28Å; E772-N774 PolarHBondContact O-N 3.17Å
773	G	92.6	Very high	93.2	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.01	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-88	21.8	172.2	0	0	0	0	0	114.3	R745 N765 K768 G770 P771	R745-G773 PolarHBondContact NH2-O 2.81Å; N765-G773 WeakPolarHBondContact O-CA 3.35Å; K768-G773 WeakPolarHBondContact O-CA 3.31Å; G770-G773 PolarHBondContact O-N 2.71Å; P771-G773 PolarHBondContact O-N 2.54Å
774	N	94.8	Very high	93.4	Very high	21 Å²	21	35.7 Å²	35.7	11%	0.112	18%	0.176	C	C	.	.			trans	-131.4	136.8	-179.4	-169.8	56.2	0	0	0	111.5	R745 P771 E772 T779 V781 D783 V786	R745-N774 PolarHBondContact NE-OD1 3.35Å; P771-N774 PolarHBondContact O-N 3.48Å; E772-N774 VanDerWaalsContact C-N 3.28Å; E772-N774 PolarHBondContact O-N 3.17Å; N774-T779 WeakPolarHBondContact OD1-CG2 3.45Å; N774-T779 PolarHBondContact OD1-OG1 3.32Å; N774-V781 PolarHBondContact ND2-O 3.04Å; N774-D783 PolarHBondContact ND2-OD1 2.93Å; N774-V786 HydrophobicContact CB-CG1 4.5Å; N774-V786 HydrophobicContact CB-CG2 4.14Å
775	D	94.1	Very high	93.8	Very high	16 Å²	16	34.8 Å²	34.8	9%	0.086	17%	0.17	C	C	.	.			trans	-119.7	99.4	162	-174.5	-10.6	0	0	0	107.3	R777 R778 T779	D775-R777 PolarHBondContact O-N 3.07Å; D775-R777 VanDerWaalsContact OD1-CB 3.24Å; D775-R777 WeakPolarHBondContact OD1-CB 3.39Å; D775-R777 WeakPolarHBondContact OD1-CG 3.41Å; D775-R777 IonicContact OD1-CZ 3.71Å; D775-R777 PolarHBondContact OD1-N 2.79Å; D775-R777 IonicContact OD1-NE 3.8Å; D775-R777 PolarHBondContact OD1-NE 2.86Å; D775-R777 IonicContact OD1-NH2 3.84Å; D775-R777 PolarHBondContact OD1-NH2 3.07Å; D775-R777 IonicContact OD2-CZ 3.68Å; D775-R777 IonicContact OD2-NE 3.82Å; D775-R777 IonicContact OD2-NH2 2.73Å; D775-R777 PolarHBondContact OD2-NH2 2.89Å; D775-R778 HydrophobicContact CB-CB 4.33Å; D775-R778 HydrophobicContact CB-CG 4.21Å; D775-R778 WeakPolarHBondContact O-CA 3.41Å; D775-R778 PolarHBondContact O-N 3.39Å; D775-R778 IonicContact OD2-NE 2.74Å; D775-R778 PolarHBondContact OD2-NE 3.11Å; D775-T779 PolarHBondContact O-N 2.71Å; D775-T779 PolarHBondContact O-OG1 3.43Å
776	I	94	Very high	94.1	Very high	20 Å²	20	31.4 Å²	31.4	10%	0.103	15%	0.152	C	C	.	.	H	α-helix	trans	-54.8	-26	179.5	-164.3	-177.8	0	0	0	112.1	A346 V350 R778 N780 P782	A346-I776 HydrophobicContact CB-CD1 4.25Å; V350-I776 HydrophobicContact CG2-CB 4.47Å; V350-I776 HydrophobicContact CG2-CD1 3.75Å; V350-I776 HydrophobicContact CG2-CG1 3.88Å; V350-I776 HydrophobicContact CG2-CG2 3.93Å; I776-R778 PolarHBondContact O-N 3.31Å; I776-N780 VanDerWaalsContact O-CA 3.24Å; I776-N780 WeakPolarHBondContact O-CA 3.31Å; I776-N780 PolarHBondContact O-N 3.17Å; I776-P782 HydrophobicContact CD1-CB 4.46Å; I776-P782 HydrophobicContact CD1-CG 4.5Å
777	R	92.4	Very high	94.2	Very high	148 Å²	148	30.6 Å²	30.6	56%	0.558	15%	0.149	S	C	*	.	H	α-helix	trans	-74.9	-2.5	176.7	-46.5	164	-60.2	170.1	11	113.1	V350 R353 D775	V350-R777 HydrophobicContact CG1-CB 4.31Å; V350-R777 HydrophobicContact CG1-CG 4.24Å; R353-R777 WeakPolarHBondContact CD-O 3.2Å; R353-R777 PolarHBondContact NE-O 3.29Å; D775-R777 PolarHBondContact O-N 3.07Å; D775-R777 VanDerWaalsContact OD1-CB 3.24Å; D775-R777 WeakPolarHBondContact OD1-CB 3.39Å; D775-R777 WeakPolarHBondContact OD1-CG 3.41Å; D775-R777 IonicContact OD1-CZ 3.71Å; D775-R777 PolarHBondContact OD1-N 2.79Å; D775-R777 IonicContact OD1-NE 3.8Å; D775-R777 PolarHBondContact OD1-NE 2.86Å; D775-R777 IonicContact OD1-NH2 3.84Å; D775-R777 PolarHBondContact OD1-NH2 3.07Å; D775-R777 IonicContact OD2-CZ 3.68Å; D775-R777 IonicContact OD2-NE 3.82Å; D775-R777 IonicContact OD2-NH2 2.73Å; D775-R777 PolarHBondContact OD2-NH2 2.89Å
778	R	92.4	Very high	94.5	Very high	15 Å²	15	27.5 Å²	27.5	6%	0.057	13%	0.129	C	C	.	.	H	α-helix	trans	-123.8	-38.5	175.6	-59	-179	-172.8	-115.1	-1.7	112	A239 A241 V243 H760 G763 D775 I776	A239-R778 PolarHBondContact O-NH2 2.97Å; A241-R778 PolarHBondContact O-NH1 3.45Å; A241-R778 PolarHBondContact O-NH2 2.94Å; V243-R778 HydrophobicContact CG2-CG 4.18Å; H760-R778 PolarHBondContact O-NH1 3Å; G763-R778 VanDerWaalsContact CA-CD 3.47Å; D775-R778 HydrophobicContact CB-CB 4.33Å; D775-R778 HydrophobicContact CB-CG 4.21Å; D775-R778 WeakPolarHBondContact O-CA 3.41Å; D775-R778 PolarHBondContact O-N 3.39Å; D775-R778 IonicContact OD2-NE 2.74Å; D775-R778 PolarHBondContact OD2-NE 3.11Å; I776-R778 PolarHBondContact O-N 3.31Å
779	T	94.8	Very high	94.8	Very high	4 Å²	4	24.6 Å²	24.6	3%	0.025	12%	0.115	C	C	.	.	H	α-helix	trans	-92	-24.6	-178.4	66.8	0	0	0	0	114.5	R745 L762 N774 D775 V781	R745-T779 HydrophobicContact CG-CG2 4.24Å; L762-T779 HydrophobicContact CD2-CG2 3.89Å; N774-T779 WeakPolarHBondContact OD1-CG2 3.45Å; N774-T779 PolarHBondContact OD1-OG1 3.32Å; D775-T779 PolarHBondContact O-N 2.71Å; D775-T779 PolarHBondContact O-OG1 3.43Å; T779-V781 PolarHBondContact O-N 3.42Å; T779-V781 VanDerWaalsContact O-N 3.1Å; T779-V781 PolarHBondContact OG1-N 3.17Å; T779-V781 VanDerWaalsContact OG1-N 3.14Å
780	N	96.6	Very high	95.1	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.011	11%	0.112	C	C	.	.			trans	51.4	19.2	-165.1	-160.4	43.3	0	0	0	114.7	Q347 R353 I358 C741 I776	Q347-N780 PolarHBondContact NE2-ND2 3.11Å; Q347-N780 PolarHBondContact NE2-O 3.41Å; R353-N780 HydrophobicContact CB-CB 4.36Å; I358-N780 HydrophobicContact CG2-CB 3.62Å; C741-N780 HydrophobicContact CB-CB 4.46Å; C741-N780 PolarHBondContact SG-ND2 3.07Å; I776-N780 VanDerWaalsContact O-CA 3.24Å; I776-N780 WeakPolarHBondContact O-CA 3.31Å; I776-N780 PolarHBondContact O-N 3.17Å
781	V	96.9	Very high	95.2	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.006	12%	0.119	C	C	.	.			trans	-95.4	119.9	172.5	-177.1	0	0	0	0	108.1	C741 R745 N774 T779 R785 V786	C741-V781 HydrophobicContact CB-CG2 3.77Å; C741-V781 VanDerWaalsContact O-CG2 3.31Å; C741-V781 WeakPolarHBondContact O-CG2 3.46Å; R745-V781 HydrophobicContact CB-CG2 4.03Å; N774-V781 PolarHBondContact ND2-O 3.04Å; T779-V781 PolarHBondContact O-N 3.42Å; T779-V781 VanDerWaalsContact O-N 3.1Å; T779-V781 PolarHBondContact OG1-N 3.17Å; T779-V781 VanDerWaalsContact OG1-N 3.14Å; V781-R785 HydrophobicContact CG1-CB 4.01Å; V781-R785 HydrophobicContact CG1-CG 4.04Å; V781-V786 HydrophobicContact CG1-CG2 3.83Å
782	P	96.6	Very high	95.3	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	11%	0.113	C	C	.	.			trans	-58.1	141.2	177.4	-28.3	37.6	0	0	0	113.7	E343 A346 Q347 I776 I784 R785 V786	E343-P782 HydrophobicContact CB-CB 4.42Å; E343-P782 HydrophobicContact CB-CG 4.02Å; E343-P782 HydrophobicContact CG-CB 4.37Å; E343-P782 HydrophobicContact CG-CG 4.43Å; E343-P782 VanDerWaalsContact O-CG 3.29Å; E343-P782 WeakPolarHBondContact O-CG 3.44Å; A346-P782 HydrophobicContact CB-CB 3.97Å; A346-P782 HydrophobicContact CB-CG 4.14Å; Q347-P782 HydrophobicContact CG-CG 3.79Å; I776-P782 HydrophobicContact CD1-CB 4.46Å; I776-P782 HydrophobicContact CD1-CG 4.5Å; P782-I784 HydrophobicContact CB-CB 4.29Å; P782-I784 PolarHBondContact O-N 3.15Å; P782-I784 VanDerWaalsContact O-N 3.12Å; P782-R785 WeakPolarHBondContact O-CB 3.32Å; P782-R785 PolarHBondContact O-N 3.19Å; P782-V786 PolarHBondContact O-N 2.73Å
783	D	95.8	Very high	95.6	Very high	25 Å²	25	20.9 Å²	20.9	13%	0.134	9%	0.093	C	C	.	.	H	α-helix	trans	-56.6	-27.3	172.1	-88.5	27.2	0	0	0	112.2	R163 P771 N774 V786 G787	R163-D783 IonicContact NE-OD2 3.69Å; R163-D783 IonicContact NH2-OD2 3.18Å; P771-D783 HydrophobicContact CB-CB 4.22Å; N774-D783 PolarHBondContact ND2-OD1 2.93Å; D783-V786 PolarHBondContact O-N 2.95Å; D783-G787 WeakPolarHBondContact O-CA 3.26Å; D783-G787 PolarHBondContact O-N 2.91Å
784	I	96.3	Very high	95.8	Very high	8 Å²	8	21.6 Å²	21.6	4%	0.041	10%	0.098	C	C	.	.	H	α-helix	trans	-55.6	-47.8	169.9	-64.8	-179.9	0	0	0	111.8	E162 F165 N339 K342 E343 P782 Y788	E162-I784 WeakPolarHBondContact O-CG1 3.37Å; F165-I784 HydrophobicContact CB-CB 4.28Å; F165-I784 HydrophobicContact CB-CD1 4.29Å; F165-I784 HydrophobicContact CB-CG1 4.06Å; F165-I784 HydrophobicContact CB-CG2 3.55Å; F165-I784 HydrophobicContact CD1-CB 4.44Å; F165-I784 HydrophobicContact CD1-CG1 4.47Å; F165-I784 HydrophobicContact CD1-CG2 4.2Å; F165-I784 HydrophobicContact CD2-CG2 4.46Å; F165-I784 HydrophobicContact CG-CG2 3.86Å; N339-I784 HydrophobicContact CB-CG2 4.19Å; K342-I784 HydrophobicContact CB-CD1 3.59Å; K342-I784 HydrophobicContact CD-CD1 4.44Å; E343-I784 HydrophobicContact CG-CB 4.06Å; E343-I784 HydrophobicContact CG-CG2 3.63Å; P782-I784 HydrophobicContact CB-CB 4.29Å; P782-I784 PolarHBondContact O-N 3.15Å; P782-I784 VanDerWaalsContact O-N 3.12Å; I784-Y788 PolarHBondContact O-N 3.32Å
785	R	97.3	Very high	95.8	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.008	11%	0.111	C	C	.	.	H	α-helix	trans	-67.4	-48.4	179.7	179.8	61.8	67	97.1	-2.1	110.4	E343 C738 D739 E742 V781 P782 G787 Y788 R789	E343-R785 WeakPolarHBondContact OE1-CA 3.24Å; E343-R785 WeakPolarHBondContact OE1-CB 3.24Å; E343-R785 IonicContact OE1-CZ 3.43Å; E343-R785 IonicContact OE1-NE 3.27Å; E343-R785 PolarHBondContact OE1-NE 2.65Å; E343-R785 IonicContact OE1-NH2 3.65Å; E343-R785 IonicContact OE2-CZ 3.49Å; E343-R785 IonicContact OE2-NE 3.81Å; E343-R785 PolarHBondContact OE2-NE 2.91Å; E343-R785 IonicContact OE2-NH2 2.75Å; E343-R785 PolarHBondContact OE2-NH2 2.68Å; C738-R785 PolarHBondContact SG-NH2 3.37Å; D739-R785 IonicContact OD1-CZ 2.7Å; D739-R785 VanDerWaalsContact OD1-CZ 3.29Å; D739-R785 IonicContact OD1-NH1 3.02Å; D739-R785 PolarHBondContact OD1-NH1 2.9Å; D739-R785 IonicContact OD1-NH2 2.68Å; D739-R785 PolarHBondContact OD1-NH2 3.03Å; E742-R785 IonicContact OE2-CZ 3.35Å; E742-R785 IonicContact OE2-NH1 3.14Å; E742-R785 PolarHBondContact OE2-NH1 3.48Å; V781-R785 HydrophobicContact CG1-CB 4.01Å; V781-R785 HydrophobicContact CG1-CG 4.04Å; P782-R785 WeakPolarHBondContact O-CB 3.32Å; P782-R785 PolarHBondContact O-N 3.19Å; R785-G787 VanDerWaalsContact C-N 3.3Å; R785-G787 PolarHBondContact O-N 3.48Å; R785-Y788 PolarHBondContact O-N 2.74Å; R785-R789 WeakPolarHBondContact O-CG 3.35Å; R785-R789 PolarHBondContact O-N 3Å
786	V	96.9	Very high	95.8	Very high	13 Å²	13	23.7 Å²	23.7	8%	0.079	11%	0.107	C	C	.	.	H	α-helix	trans	-62.8	-39.5	-179.7	-174.9	0	0	0	0	111	G770 N774 V781 P782 D783 H790	G770-V786 WeakPolarHBondContact O-CG1 3.49Å; N774-V786 HydrophobicContact CB-CG1 4.5Å; N774-V786 HydrophobicContact CB-CG2 4.14Å; V781-V786 HydrophobicContact CG1-CG2 3.83Å; P782-V786 PolarHBondContact O-N 2.73Å; D783-V786 PolarHBondContact O-N 2.95Å; V786-H790 VanDerWaalsContact O-CB 3.3Å; V786-H790 WeakPolarHBondContact O-CB 3.43Å; V786-H790 PolarHBondContact O-N 3.08Å
787	G	96.1	Very high	96	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.01	10%	0.102	C	C	.	.	H	α-helix	trans	-60.4	-54.1	173.6	0	0	0	0	0	111.8	D783 R785 R789 H790 E791	D783-G787 WeakPolarHBondContact O-CA 3.26Å; D783-G787 PolarHBondContact O-N 2.91Å; R785-G787 VanDerWaalsContact C-N 3.3Å; R785-G787 PolarHBondContact O-N 3.48Å; G787-R789 VanDerWaalsContact C-N 3.34Å; G787-R789 PolarHBondContact O-N 2.84Å; G787-H790 PolarHBondContact O-N 3.43Å; G787-E791 VanDerWaalsContact O-CB 3.31Å; G787-E791 WeakPolarHBondContact O-CB 3.17Å; G787-E791 VanDerWaalsContact O-CG 3.3Å; G787-E791 WeakPolarHBondContact O-CG 3.48Å; G787-E791 PolarHBondContact O-N 3.1Å
788	Y	96.9	Very high	96	Very high	15 Å²	15	16.6 Å²	16.6	6%	0.059	8%	0.082	C	C	.	.	H	α-helix	trans	-53.6	-47.5	176.4	170.6	-92.3	0	0	0	112.7	K331 F332 H335 I784 R785 T792	K331-Y788 VanDerWaalsContact C-OH 3.3Å; K331-Y788 HydrophobicContact CD-CE2 4.35Å; K331-Y788 HydrophobicContact CG-CE2 4.08Å; K331-Y788 WeakPolarHBondContact CG-OH 3.33Å; F332-Y788 WeakPolarHBondContact CA-OH 3.44Å; F332-Y788 HydrophobicContact CB-CE1 4.24Å; F332-Y788 HydrophobicContact CD2-CD1 4.13Å; F332-Y788 AromaticContact CD2-CE1 3.65Å; F332-Y788 HydrophobicContact CD2-CE1 3.65Å; F332-Y788 HydrophobicContact CG-CE1 4.43Å; F332-Y788 PolarHBondContact N-OH 2.72Å; F332-Y788 VanDerWaalsContact N-OH 3.07Å; H335-Y788 HydrophobicContact CB-CD2 3.73Å; H335-Y788 HydrophobicContact CB-CE2 3.66Å; H335-Y788 HydrophobicContact CB-CG 4.27Å; H335-Y788 AromaticContact CD2-CG 3.99Å; H335-Y788 AromaticContact CE1-CG 3.87Å; H335-Y788 AromaticContact CG-CD2 3.53Å; H335-Y788 AromaticContact CG-CE2 3.99Å; H335-Y788 AromaticContact CG-CG 3.69Å; H335-Y788 AromaticContact ND1-CD2 3.44Å; H335-Y788 WeakPolarHBondContact ND1-CD2 3.22Å; H335-Y788 AromaticContact ND1-CG 3.65Å; I784-Y788 PolarHBondContact O-N 3.32Å; R785-Y788 PolarHBondContact O-N 2.74Å; Y788-T792 VanDerWaalsContact O-CB 3.24Å; Y788-T792 WeakPolarHBondContact O-CB 3.21Å; Y788-T792 PolarHBondContact O-N 3.03Å; Y788-T792 PolarHBondContact O-OG1 2.87Å
789	R	97.6	Very high	95.9	Very high	35 Å²	35	16.9 Å²	16.9	13%	0.132	9%	0.085	C	C	.	.	H	α-helix	trans	-62.2	-48.4	179.7	-67	-64.6	-169.6	-165.7	3	111.6	L699 S700 E742 R785 G787 L793	L699-R789 VanDerWaalsContact O-CZ 3.23Å; L699-R789 PolarHBondContact O-NH1 2.76Å; L699-R789 PolarHBondContact O-NH2 2.73Å; S700-R789 PolarHBondContact O-NH1 3.47Å; E742-R789 WeakPolarHBondContact OE1-CG 3.48Å; E742-R789 IonicContact OE1-CZ 3.77Å; E742-R789 IonicContact OE1-NE 3.86Å; E742-R789 PolarHBondContact OE1-NE 3.1Å; E742-R789 IonicContact OE1-NH2 2.75Å; E742-R789 PolarHBondContact OE1-NH2 3.28Å; E742-R789 IonicContact OE2-CZ 2.7Å; E742-R789 IonicContact OE2-NE 3.17Å; E742-R789 IonicContact OE2-NH2 3.62Å; E742-R789 PolarHBondContact OE2-NH2 3.49Å; R785-R789 WeakPolarHBondContact O-CG 3.35Å; R785-R789 PolarHBondContact O-N 3Å; G787-R789 VanDerWaalsContact C-N 3.34Å; G787-R789 PolarHBondContact O-N 2.84Å; R789-L793 WeakPolarHBondContact O-CB 3.47Å; R789-L793 PolarHBondContact O-N 3.48Å
790	H	96.8	Very high	95.8	Very high	43 Å²	43	16.7 Å²	16.7	20%	0.199	8%	0.084	C	C	.	.	H	α-helix	trans	-69.9	-43.3	-176.9	178.5	66.6	0	0	0	112.8	E769 G770 V786 G787 T792 L793 C794	E769-H790 IonicContact OE2-CE1 2.89Å; E769-H790 PolarHBondContact OE2-CE1 2.71Å; G770-H790 VanDerWaalsContact CA-CG 3.44Å; V786-H790 VanDerWaalsContact O-CB 3.3Å; V786-H790 WeakPolarHBondContact O-CB 3.43Å; V786-H790 PolarHBondContact O-N 3.08Å; G787-H790 PolarHBondContact O-N 3.43Å; H790-T792 VanDerWaalsContact C-N 3.33Å; H790-T792 PolarHBondContact O-N 2.87Å; H790-L793 PolarHBondContact O-N 2.91Å; H790-C794 PolarHBondContact CE1-SG 3.14Å; H790-C794 WeakPolarHBondContact O-CB 3.27Å; H790-C794 PolarHBondContact O-N 3.27Å; H790-C794 PolarHBondContact O-SG 3.15Å
791	E	95.4	Very high	95.6	Very high	56 Å²	56	16.7 Å²	16.7	26%	0.262	8%	0.084	S	C	.	.	H	α-helix	trans	-61.1	-43.1	175.2	-72.4	174.4	-152.5	0	0	111.1	R167 G787 C794 Q795	R167-E791 WeakPolarHBondContact CD-OE2 3.35Å; R167-E791 IonicContact CZ-OE1 3.5Å; R167-E791 IonicContact CZ-OE2 2.78Å; R167-E791 IonicContact NE-OE1 3.49Å; R167-E791 PolarHBondContact NE-OE1 3.34Å; R167-E791 IonicContact NE-OE2 3.58Å; R167-E791 PolarHBondContact NE-OE2 2.77Å; R167-E791 IonicContact NH2-OE1 2.68Å; R167-E791 PolarHBondContact NH2-OE1 3.45Å; R167-E791 IonicContact NH2-OE2 3.53Å; G787-E791 VanDerWaalsContact O-CB 3.31Å; G787-E791 WeakPolarHBondContact O-CB 3.17Å; G787-E791 VanDerWaalsContact O-CG 3.3Å; G787-E791 WeakPolarHBondContact O-CG 3.48Å; G787-E791 PolarHBondContact O-N 3.1Å; E791-C794 PolarHBondContact O-N 2.65Å; E791-Q795 VanDerWaalsContact O-CG 3.23Å; E791-Q795 WeakPolarHBondContact O-CG 3.36Å; E791-Q795 PolarHBondContact O-N 3.06Å
792	T	96	Very high	95.1	Very high	4 Å²	4	21.8 Å²	21.8	3%	0.025	11%	0.107	C	C	.	.	H	α-helix	trans	-65.9	-44.3	177.8	-59	0	0	0	0	111.8	L328 K331 Y788 H790 C794 Q795 E796	L328-T792 HydrophobicContact CD2-CG2 3.34Å; K331-T792 HydrophobicContact CD-CG2 4.01Å; Y788-T792 VanDerWaalsContact O-CB 3.24Å; Y788-T792 WeakPolarHBondContact O-CB 3.21Å; Y788-T792 PolarHBondContact O-N 3.03Å; Y788-T792 PolarHBondContact O-OG1 2.87Å; H790-T792 VanDerWaalsContact C-N 3.33Å; H790-T792 PolarHBondContact O-N 2.87Å; T792-C794 VanDerWaalsContact C-N 3.35Å; T792-C794 PolarHBondContact O-N 3.08Å; T792-Q795 WeakPolarHBondContact O-CB 3.32Å; T792-Q795 PolarHBondContact O-N 3.23Å; T792-Q795 VanDerWaalsContact O-N 3.13Å; T792-E796 PolarHBondContact O-N 3.18Å
793	L	97.7	Very high	94.7	Very high	8 Å²	8	22.1 Å²	22.1	4%	0.042	11%	0.11	C	C	.	.	H	α-helix	trans	-61.9	-42.1	175.6	178.5	63.4	0	0	0	111.8	T211 Y670 L671 Q673 R789 H790 Q795 E796 L797	T211-L793 HydrophobicContact CG2-CD2 4.3Å; Y670-L793 HydrophobicContact CE1-CD1 3.88Å; Y670-L793 VanDerWaalsContact OH-CA 3.3Å; Y670-L793 WeakPolarHBondContact OH-CA 3.26Å; Y670-L793 PolarHBondContact OH-N 3.12Å; L671-L793 HydrophobicContact CD2-CD1 4.47Å; Q673-L793 HydrophobicContact CG-CD1 4.42Å; Q673-L793 HydrophobicContact CG-CD2 3.58Å; R789-L793 WeakPolarHBondContact O-CB 3.47Å; R789-L793 PolarHBondContact O-N 3.48Å; H790-L793 PolarHBondContact O-N 2.91Å; L793-Q795 VanDerWaalsContact C-N 3.26Å; L793-Q795 PolarHBondContact O-N 2.76Å; L793-E796 PolarHBondContact O-N 2.87Å; L793-L797 HydrophobicContact CD1-CD1 3.99Å; L793-L797 HydrophobicContact CD1-CG 4.22Å; L793-L797 HydrophobicContact CG-CD1 3.85Å; L793-L797 HydrophobicContact CG-CG 4.49Å; L793-L797 WeakPolarHBondContact O-CB 3.33Å; L793-L797 VanDerWaalsContact O-CG 3.27Å; L793-L797 WeakPolarHBondContact O-CG 3.15Å; L793-L797 PolarHBondContact O-N 2.78Å
794	C	96.9	Very high	94.2	Very high	16 Å²	16	21.1 Å²	21.1	11%	0.108	11%	0.105	C	C	.	.	H	α-helix	trans	-62.3	-32.8	174.6	-72.4	0	0	0	0	112.6	Y215 H790 E791 T792 A798	Y215-C794 HydrophobicContact CE2-CB 4.14Å; Y215-C794 WeakPolarHBondContact OH-CB 3.33Å; Y215-C794 PolarHBondContact OH-O 2.72Å; H790-C794 PolarHBondContact CE1-SG 3.14Å; H790-C794 WeakPolarHBondContact O-CB 3.27Å; H790-C794 PolarHBondContact O-N 3.27Å; H790-C794 PolarHBondContact O-SG 3.15Å; E791-C794 PolarHBondContact O-N 2.65Å; T792-C794 VanDerWaalsContact C-N 3.35Å; T792-C794 PolarHBondContact O-N 3.08Å; C794-A798 WeakPolarHBondContact O-CB 3.29Å; C794-A798 PolarHBondContact O-N 2.83Å
795	Q	94.3	Very high	93.6	Very high	82 Å²	82	23.5 Å²	23.5	38%	0.383	12%	0.116	S	C	.	.	H	α-helix	trans	-73.1	-44.4	176.6	-73.5	160.9	-0.9	0	0	112.4	E791 T792 L793 L797 A798 L799	E791-Q795 VanDerWaalsContact O-CG 3.23Å; E791-Q795 WeakPolarHBondContact O-CG 3.36Å; E791-Q795 PolarHBondContact O-N 3.06Å; T792-Q795 WeakPolarHBondContact O-CB 3.32Å; T792-Q795 PolarHBondContact O-N 3.23Å; T792-Q795 VanDerWaalsContact O-N 3.13Å; L793-Q795 VanDerWaalsContact C-N 3.26Å; L793-Q795 PolarHBondContact O-N 2.76Å; Q795-L797 VanDerWaalsContact C-N 3.34Å; Q795-L797 PolarHBondContact O-N 2.74Å; Q795-A798 PolarHBondContact O-N 2.83Å; Q795-L799 WeakPolarHBondContact O-CB 3.22Å; Q795-L799 PolarHBondContact O-N 2.72Å
796	E	95.3	Very high	92.7	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-64.6	-38.2	175	-60	-57.1	123.7	0	0	112.2	R324 Y327 L328 Y667 Y670 L671 T792 L793 I800	R324-E796 IonicContact CZ-OE1 2.74Å; R324-E796 IonicContact CZ-OE2 3.28Å; R324-E796 IonicContact NE-OE1 3.15Å; R324-E796 IonicContact NE-OE2 2.91Å; R324-E796 PolarHBondContact NE-OE2 3.38Å; R324-E796 VanDerWaalsContact NH2-CD 3.28Å; R324-E796 IonicContact NH2-OE1 2.65Å; R324-E796 PolarHBondContact NH2-OE1 3.05Å; R324-E796 IonicContact NH2-OE2 2.87Å; R324-E796 PolarHBondContact NH2-OE2 3.45Å; R324-E796 VanDerWaalsContact NH2-OE2 3.14Å; Y327-E796 WeakPolarHBondContact CE1-OE1 3.26Å; L328-E796 HydrophobicContact CD2-CG 3.89Å; Y667-E796 PolarHBondContact OH-OE2 3.11Å; Y670-E796 HydrophobicContact CE1-CB 4.02Å; Y670-E796 HydrophobicContact CE1-CG 3.74Å; L671-E796 HydrophobicContact CD2-CB 3.81Å; T792-E796 PolarHBondContact O-N 3.18Å; L793-E796 PolarHBondContact O-N 2.87Å; E796-I800 PolarHBondContact O-N 3.41Å
797	L	96.4	Very high	91.4	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.01	14%	0.141	C	C	.	.	H	α-helix	trans	-67.4	-46.6	174.7	-71.7	168.2	0	0	0	111.6	T211 T212 Y215 L671 L793 Q795 L799 I800 T801	T211-L797 HydrophobicContact CG2-CD1 3.93Å; T212-L797 HydrophobicContact CG2-CD2 3.93Å; Y215-L797 HydrophobicContact CD1-CB 4.21Å; Y215-L797 HydrophobicContact CD2-CB 3.68Å; Y215-L797 HydrophobicContact CD2-CD1 3.71Å; Y215-L797 HydrophobicContact CD2-CG 4.31Å; Y215-L797 HydrophobicContact CE2-CB 4.12Å; Y215-L797 HydrophobicContact CE2-CD1 4.24Å; Y215-L797 HydrophobicContact CG-CB 3.75Å; Y215-L797 HydrophobicContact CG-CD1 4.43Å; L671-L797 HydrophobicContact CB-CD2 4.43Å; L671-L797 HydrophobicContact CD2-CD2 3.87Å; L671-L797 HydrophobicContact CD2-CG 4.1Å; L793-L797 HydrophobicContact CD1-CD1 3.99Å; L793-L797 HydrophobicContact CD1-CG 4.22Å; L793-L797 HydrophobicContact CG-CD1 3.85Å; L793-L797 HydrophobicContact CG-CG 4.49Å; L793-L797 WeakPolarHBondContact O-CB 3.33Å; L793-L797 VanDerWaalsContact O-CG 3.27Å; L793-L797 WeakPolarHBondContact O-CG 3.15Å; L793-L797 PolarHBondContact O-N 2.78Å; Q795-L797 VanDerWaalsContact C-N 3.34Å; Q795-L797 PolarHBondContact O-N 2.74Å; L797-L799 VanDerWaalsContact C-N 3.32Å; L797-L799 PolarHBondContact O-N 2.95Å; L797-I800 VanDerWaalsContact O-CG1 3.22Å; L797-I800 WeakPolarHBondContact O-CG1 3.22Å; L797-I800 PolarHBondContact O-N 3.28Å; L797-T801 PolarHBondContact O-N 2.78Å; L797-T801 PolarHBondContact O-OG1 2.95Å
798	A	93.4	Very high	89.6	Confident	16 Å²	16	31.7 Å²	31.7	13%	0.132	16%	0.159	C	C	.	.	H	α-helix	trans	-59.2	-42	176.6	0	0	0	0	0	111.9	Y215 C794 Q795 I800 T801 Q802	Y215-A798 HydrophobicContact CE1-CB 3.94Å; C794-A798 WeakPolarHBondContact O-CB 3.29Å; C794-A798 PolarHBondContact O-N 2.83Å; Q795-A798 PolarHBondContact O-N 2.83Å; A798-I800 VanDerWaalsContact C-N 3.35Å; A798-I800 PolarHBondContact O-N 2.79Å; A798-T801 PolarHBondContact O-N 3.19Å; A798-T801 PolarHBondContact O-OG1 2.96Å; A798-Q802 WeakPolarHBondContact O-CB 3.31Å; A798-Q802 WeakPolarHBondContact O-CG 3.47Å; A798-Q802 PolarHBondContact O-N 3.34Å
799	L	90.8	Very high	87.7	Confident	21 Å²	21	36.8 Å²	36.8	11%	0.11	19%	0.187	C	C	.	.	H	α-helix	trans	-55	-47.5	177.4	176	67.9	0	0	0	112.1	F320 R324 Q795 L797 A803	F320-L799 HydrophobicContact CZ-CD2 4.44Å; R324-L799 VanDerWaalsContact CZ-CD2 3.44Å; Q795-L799 WeakPolarHBondContact O-CB 3.22Å; Q795-L799 PolarHBondContact O-N 2.72Å; L797-L799 VanDerWaalsContact C-N 3.32Å; L797-L799 PolarHBondContact O-N 2.95Å; L799-A803 WeakPolarHBondContact O-CB 3.22Å; L799-A803 PolarHBondContact O-N 2.88Å
800	I	92.2	Very high	85.6	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-76.8	-34.2	-178.8	63.3	171.8	0	0	0	112.8	A187 V190 V191 L194 F320 L671 E796 L797 A798 V804	A187-I800 HydrophobicContact CB-CB 4.21Å; A187-I800 HydrophobicContact CB-CG2 4.48Å; V190-I800 HydrophobicContact CG1-CD1 3.65Å; V191-I800 HydrophobicContact CG2-CB 4.42Å; V191-I800 HydrophobicContact CG2-CD1 4.11Å; V191-I800 HydrophobicContact CG2-CG1 4.27Å; L194-I800 HydrophobicContact CD1-CD1 3.94Å; F320-I800 HydrophobicContact CZ-CG2 4.4Å; L671-I800 HydrophobicContact CD1-CD1 3.81Å; E796-I800 PolarHBondContact O-N 3.41Å; L797-I800 VanDerWaalsContact O-CG1 3.22Å; L797-I800 WeakPolarHBondContact O-CG1 3.22Å; L797-I800 PolarHBondContact O-N 3.28Å; A798-I800 VanDerWaalsContact C-N 3.35Å; A798-I800 PolarHBondContact O-N 2.79Å; I800-V804 PolarHBondContact O-N 2.88Å
801	T	91.1	Very high	83.2	Confident	2 Å²	2	45 Å²	45	1%	0.012	23%	0.234	C	C	.	.	H	α-helix	trans	-75.8	-38.6	178.4	59.2	0	0	0	0	112.2	L219 L797 A798 V804 Q805	L219-T801 HydrophobicContact CD1-CG2 4.02Å; L219-T801 HydrophobicContact CD2-CG2 4.48Å; L219-T801 HydrophobicContact CG-CG2 4.24Å; L797-T801 PolarHBondContact O-N 2.78Å; L797-T801 PolarHBondContact O-OG1 2.95Å; A798-T801 PolarHBondContact O-N 3.19Å; A798-T801 PolarHBondContact O-OG1 2.96Å; T801-V804 PolarHBondContact O-N 3.47Å; T801-Q805 WeakPolarHBondContact O-CG 3.4Å; T801-Q805 PolarHBondContact O-N 2.78Å
802	Q	88.5	Confident	80.5	Confident	108 Å²	108	47.6 Å²	47.6	51%	0.505	25%	0.248	S	C	.	.	H	α-helix	trans	-65.9	-39.2	176.3	-70.9	172.2	-8.9	0	0	111.6	A798 V804 Q805 S806	A798-Q802 WeakPolarHBondContact O-CB 3.31Å; A798-Q802 WeakPolarHBondContact O-CG 3.47Å; A798-Q802 PolarHBondContact O-N 3.34Å; Q802-V804 VanDerWaalsContact C-N 3.3Å; Q802-V804 PolarHBondContact O-N 2.84Å; Q802-Q805 PolarHBondContact O-N 2.96Å; Q802-S806 PolarHBondContact O-N 2.82Å; Q802-S806 PolarHBondContact O-OG 3.38Å; Q802-S806 VanDerWaalsContact O-OG 3.14Å
803	A	86.7	Confident	77.7	Confident	6 Å²	6	52.7 Å²	52.7	5%	0.05	28%	0.282	C	S	.	.	H	α-helix	trans	-56.2	-44.2	174.4	0	0	0	0	0	112	L183 L184 A187 L799	L183-A803 HydrophobicContact CG-CB 4.34Å; L184-A803 WeakPolarHBondContact CD1-O 3.28Å; A187-A803 HydrophobicContact CB-CB 3.7Å; L799-A803 WeakPolarHBondContact O-CB 3.22Å; L799-A803 PolarHBondContact O-N 2.88Å
804	V	86.4	Confident	74.7	Confident	4 Å²	4	61.2 Å²	61.2	2%	0.024	32%	0.321	C	S	.	.	H	α-helix	trans	-68.9	-39.6	175.9	177	0	0	0	0	112	L58 L60 A187 K188 V191 L219 I800 T801 Q802	L58-V804 HydrophobicContact CD2-CG1 4.37Å; L60-V804 HydrophobicContact CD2-CG1 4.42Å; A187-V804 HydrophobicContact CB-CG2 4.07Å; K188-V804 HydrophobicContact CG-CG2 4.07Å; V191-V804 HydrophobicContact CG2-CG2 4.36Å; L219-V804 HydrophobicContact CD2-CB 4.38Å; L219-V804 HydrophobicContact CD2-CG1 4.32Å; I800-V804 PolarHBondContact O-N 2.88Å; T801-V804 PolarHBondContact O-N 3.47Å; Q802-V804 VanDerWaalsContact C-N 3.3Å; Q802-V804 PolarHBondContact O-N 2.84Å
805	Q	83.8	Confident	71.7	Confident	58 Å²	58	69.5 Å²	69.5	27%	0.271	36%	0.358	S	S	.	.	H	α-helix	trans	-67.2	-34.2	178.6	-74.6	171.9	-24.4	0	0	113.5	Q218 L219 T801 Q802 E807 M808 L809	Q218-Q805 PolarHBondContact O-NE2 3.36Å; L219-Q805 HydrophobicContact CD2-CG 3.57Å; T801-Q805 WeakPolarHBondContact O-CG 3.4Å; T801-Q805 PolarHBondContact O-N 2.78Å; Q802-Q805 PolarHBondContact O-N 2.96Å; Q805-E807 VanDerWaalsContact C-N 3.34Å; Q805-E807 PolarHBondContact O-N 3.47Å; Q805-M808 WeakPolarHBondContact O-CB 3.45Å; Q805-M808 PolarHBondContact O-N 2.8Å; Q805-M808 VanDerWaalsContact O-N 3.14Å; Q805-L809 PolarHBondContact O-N 3.47Å; Q805-L809 VanDerWaalsContact O-N 3.15Å
806	S	78.3	Confident	68.9	Low	50 Å²	50	72.2 Å²	72.2	35%	0.35	38%	0.38	S	S	.	.	H	α-helix	trans	-62.2	-39.1	179.3	-67.2	0	0	0	0	112.6	Q802 L809 E810	Q802-S806 PolarHBondContact O-N 2.82Å; Q802-S806 PolarHBondContact O-OG 3.38Å; Q802-S806 VanDerWaalsContact O-OG 3.14Å; S806-L809 PolarHBondContact O-N 2.86Å; S806-E810 PolarHBondContact O-N 3.42Å
807	E	68.7	Low	65.9	Low	56 Å²	56	75 Å²	75	26%	0.262	41%	0.408	S	S	.	.	H	α-helix	trans	-64.5	-39.1	173.5	-177.1	-169.7	-146.9	0	0	111.7	L184 K188 Q805 L809 E810 T811	L184-E807 HydrophobicContact CD1-CB 4.07Å; L184-E807 HydrophobicContact CD2-CB 4.12Å; L184-E807 HydrophobicContact CD2-CG 4.18Å; K188-E807 WeakPolarHBondContact CE-OE2 3.33Å; K188-E807 IonicContact NZ-OE1 2.69Å; K188-E807 PolarHBondContact NZ-OE1 2.79Å; K188-E807 IonicContact NZ-OE2 2.71Å; K188-E807 PolarHBondContact NZ-OE2 3.21Å; Q805-E807 VanDerWaalsContact C-N 3.34Å; Q805-E807 PolarHBondContact O-N 3.47Å; E807-L809 PolarHBondContact O-N 3.41Å; E807-E810 PolarHBondContact O-N 2.87Å; E807-T811 HydrophobicContact CG-CG2 4.31Å; E807-T811 WeakPolarHBondContact O-CB 3.46Å; E807-T811 WeakPolarHBondContact O-CG2 3.46Å; E807-T811 PolarHBondContact O-N 3.31Å; E807-T811 PolarHBondContact O-OG1 2.77Å
808	M	59.1	Low	63	Low	82 Å²	82	83.1 Å²	83.1	40%	0.404	45%	0.451	S	S	.	.	H	α-helix	trans	-64.1	-22.6	175.6	-63.3	-178.2	71.1	0	0	112.9	L58 Q805 T811 I812	L58-M808 HydrophobicContact CD2-CE 4.41Å; L58-M808 HydrophobicContact CD2-SD 3.79Å; Q805-M808 WeakPolarHBondContact O-CB 3.45Å; Q805-M808 PolarHBondContact O-N 2.8Å; Q805-M808 VanDerWaalsContact O-N 3.14Å; M808-T811 WeakPolarHBondContact CA-OG1 3.32Å; M808-I812 WeakPolarHBondContact O-CG1 3.13Å
809	L	57.6	Low	60.1	Low	123 Å²	123	88.5 Å²	88.5	64%	0.644	48%	0.482	S	S	*	.	H	α-helix	trans	-86	-41.5	174.1	-68.7	166.4	0	0	0	111.8	Q805 S806 E807 T811 I812	Q805-L809 PolarHBondContact O-N 3.47Å; Q805-L809 VanDerWaalsContact O-N 3.15Å; S806-L809 PolarHBondContact O-N 2.86Å; E807-L809 PolarHBondContact O-N 3.41Å; L809-T811 PolarHBondContact O-N 3.39Å; L809-I812 HydrophobicContact CD2-CD1 4.31Å; L809-I812 PolarHBondContact O-N 2.9Å
810	E	52.8	Low	57.5	Low	154 Å²	154	96 Å²	96	72%	0.72	52%	0.518	S	S	*	.	H	α-helix	trans	-68.7	-19.1	175.8	-70.8	-174	163.7	0	0	113.6	S806 E807	S806-E810 PolarHBondContact O-N 3.42Å; E807-E810 PolarHBondContact O-N 2.87Å
811	T	45.1	Very low	54.7	Low	96 Å²	96	100.9 Å²	100.9	59%	0.589	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.1	-0.4	178.5	48.8	0	0	0	0	114.6	E807 M808 L809 P813	E807-T811 HydrophobicContact CG-CG2 4.31Å; E807-T811 WeakPolarHBondContact O-CB 3.46Å; E807-T811 WeakPolarHBondContact O-CG2 3.46Å; E807-T811 PolarHBondContact O-N 3.31Å; E807-T811 PolarHBondContact O-OG1 2.77Å; M808-T811 WeakPolarHBondContact CA-OG1 3.32Å; L809-T811 PolarHBondContact O-N 3.39Å; T811-P813 WeakPolarHBondContact O-CD 3.2Å
812	I	39.1	Very low	52.4	Low	110 Å²	110	107 Å²	107	56%	0.564	59%	0.592	S	S	*	*	S	Bend	trans	-71.8	120	168	-55.8	177.1	0	0	0	108	M808 L809 E814	M808-I812 WeakPolarHBondContact O-CG1 3.13Å; L809-I812 HydrophobicContact CD2-CD1 4.31Å; L809-I812 PolarHBondContact O-N 2.9Å; I812-E814 PolarHBondContact O-N 3.15Å
813	P	36.7	Very low	50.1	Low	112 Å²	112	104.9 Å²	104.9	73%	0.727	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-64	131.5	175.3	-18.4	31.8	0	0	0	110.1	T811 E815	T811-P813 WeakPolarHBondContact O-CD 3.2Å; P813-E815 PolarHBondContact O-N 2.94Å
814	E	34.8	Very low	48.1	Very low	187 Å²	187	114.5 Å²	114.5	87%	0.874	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-53.7	128.6	165	-67	-172.1	129.8	0	0	108.8	I812 V816	I812-E814 PolarHBondContact O-N 3.15Å; E814-V816 PolarHBondContact O-N 2.91Å; E814-V816 VanDerWaalsContact O-N 3.14Å
815	E	34.4	Very low	46.2	Very low	189 Å²	189	120.1 Å²	120.1	88%	0.883	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-56.7	124	173.6	-75.7	-163.3	130.1	0	0	108.7	P813 G817	P813-E815 PolarHBondContact O-N 2.94Å; E815-G817 PolarHBondContact O-N 3.22Å
816	V	34.7	Very low	44.2	Very low	139 Å²	139	123.3 Å²	123.3	84%	0.842	72%	0.716	S	S	*	*			trans	-55.3	104.7	-172.9	178.6	0	0	0	0	109.5	E814 L818	E814-V816 PolarHBondContact O-N 2.91Å; E814-V816 VanDerWaalsContact O-N 3.14Å; V816-L818 PolarHBondContact O-N 3.11Å
817	G	33.6	Very low	42.3	Very low	58 Å²	58	127.4 Å²	127.4	60%	0.598	74%	0.737	S	S	*	*			trans	-52.4	125.4	-172	0	0	0	0	0	111.2	E815 V819	E815-G817 PolarHBondContact O-N 3.22Å; G817-V819 PolarHBondContact O-N 3.35Å
818	L	34.6	Very low	40.8	Very low	173 Å²	173	131.6 Å²	131.6	91%	0.906	77%	0.765	S	S	*	*			trans	-54.7	100.3	-176.1	-85.2	160.9	0	0	0	111	V816 M820	V816-L818 PolarHBondContact O-N 3.11Å; L818-M820 VanDerWaalsContact C-N 3.3Å; L818-M820 PolarHBondContact O-N 3.08Å
819	V	33.8	Very low	39.6	Very low	129 Å²	129	134.7 Å²	134.7	78%	0.782	79%	0.787	S	S	*	*			trans	-67.9	91.2	175.3	-178.2	0	0	0	0	108.2	G817 S821	G817-V819 PolarHBondContact O-N 3.35Å; V819-S821 PolarHBondContact O-N 2.82Å
820	M	35.7	Very low	38.4	Very low	178 Å²	178	135.5 Å²	135.5	88%	0.877	80%	0.797	S	S	*	*			trans	-59.8	107.4	172.5	-73.6	-165.1	70.5	0	0	109	L818	L818-M820 VanDerWaalsContact C-N 3.3Å; L818-M820 PolarHBondContact O-N 3.08Å
821	S	32.7	Very low	37.4	Very low	104 Å²	104	134.1 Å²	134.1	73%	0.727	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-67	134.8	172.8	-60.1	0	0	0	0	109.2	V819 G823	V819-S821 PolarHBondContact O-N 2.82Å; S821-G823 PolarHBondContact O-N 3.29Å
822	P	43.5	Very low	36.8	Very low	130 Å²	130	137.1 Å²	137.1	84%	0.844	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-65.8	128.4	174.4	27.4	-33.2	0	0	0	109.9
823	G	41	Very low	36.6	Very low	65 Å²	65	139.3 Å²	139.3	67%	0.67	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-72.8	164.1	169	0	0	0	0	0	112.2	S821	S821-G823 PolarHBondContact O-N 3.29Å
824	P	43.7	Very low	36.6	Very low	208 Å²	208	141.8 Å²	141.8	100%	1.351	85%	0.85	S	S	*	*			trans	-74.2	0	177.1	33.8	-36.6	0	0	0	113.5

Retrieved 824 of 824 residues in 365.9 ms (Link to these results)

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