A0A087YP65_POEFO Loading...

Sarcosine dehydrogenase, mitochondrial

Catalyzes the last step of the oxidative degradation of choline to glycine. Converts sarcosine into glycine.

AlphaFold DB , UniProt , Accession A0A087YP65, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 916 aa.

						>A0A087YP65_POEFO|A0A087YP65
MAFIGRAVQRLVLAARPPVAPLCRTSSRSYSTEHTSEKSVPYEKTLKQEEGASTGPTKPLPRSADVVVIGGGSIGCQTVYHLAKMGMTNVALLERDRLTAGTTWHTAGLLWQLRPSDVEVELLAHTRNVISKDLEEETGLHTGWIQNGGLFIASNKQRLDEYKRLMSLGKVYGIESYVLSPAETKDLYPLMNIDDLYGTLYVPKDGTMDPAGTCTTLSRAATARGVTVIENCPVTGIQVRTDDLGVKKVKAVETPHGAIETPCVVNCAGVWATRLGEMAGVNVPLIAMHHAYVVTERIEGIQNMPNVRDHDASVYLRLQGDALSVGGYEQNPIFWEEVSDKFAFSLFDLDWDVFMQHIEGAINRVPVLEQTGIKSTVCGPESFTADHKPLMGEAPEVRGYFLGCGFNSAGMMLGGGCGRELAKWIIHGRPEKDMYGYDIRRFHSSLTDNARWIRERSHESYAKNYSVVFPFDEPLASRNMRKDPFHEVLTEQGCMFQERHGWERPGWFNKDGPAPPKKYDYYGAYNIRKNENYKYKELLGKEYTFDFPPHHDVIKSECLSCRHDVAVFNMSYFGKFYLTGPDAKKAADWLFSADVNKKPGSTVYTCMLNKRGGAEADLTVSRLEPGAAKLPLAPQSDGDAYYLAIGGGVAEHNWNHIRTVIQDQGFHCQLTDHSEDMGMISIQGPKSRQVLQEVLDADLSNEAFPFSTHKLVNAAGYQVRAMRLSFVGELGWELHIPKDSCVPVYRAVMAAGAKHGIINSGYRAIDSLSIEKGYRHWHADLRPDDTPLEAGLAFTCKLKSSIPFQGRETLERQKEEGLRRRIVCFTIDEKIPMFGLEAIFRNGVPVGHLRRADYGFFIDKTLGYGYIRNPDGGVVSADFIKTGEFTLERMGVAYKAKAHLKSPFDPENKRVKGIYE
					

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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	32	Very low	26.7	Very low	240 Å²	240	166.8 Å²	166.8	100%	1.182	86%	0.864	S	S	*	*				0	105.4	0	-58	-176.5	-170.7	0	0	106.2
2	A	27.7	Very low	26.6	Very low	88 Å²	88	164.7 Å²	164.7	73%	0.727	86%	0.863	S	S	*	*				76.5	108.1	105.3	0	0	0	0	0	112.3
3	F	24.1	Very low	26.4	Very low	208 Å²	208	164.2 Å²	164.2	91%	0.912	86%	0.861	S	S	*	*				58.8	143.1	67	-82.1	-85.2	0	0	0	113.2
4	I	29.7	Very low	26.3	Very low	159 Å²	159	159 Å²	159	82%	0.815	85%	0.853	S	S	*	*			cis	-143.3	158.1	24.1	-59.2	169.8	0	0	0	108.7
5	G	28.5	Very low	26.2	Very low	59 Å²	59	154.5 Å²	154.5	61%	0.608	85%	0.847	S	S	*	*			cis	129.5	91.7	-4.1	0	0	0	0	0	116.3
6	R	25.4	Very low	26	Very low	252 Å²	252	160 Å²	160	95%	0.951	85%	0.851	S	S	*	*			trans	-147	119.7	166.1	-74.5	-175.2	178.9	-167.9	-0.8	109.7
7	A	25.8	Very low	26	Very low	96 Å²	96	156.8 Å²	156.8	79%	0.793	84%	0.842	S	S	*	*			cis	94	116.4	26.7	0	0	0	0	0	115.2
8	V	24.8	Very low	25.9	Very low	152 Å²	152	155.6 Å²	155.6	92%	0.921	84%	0.843	S	S	*	*				-165.5	148	128	156.4	0	0	0	0	108.1
9	Q	25.6	Very low	25.9	Very low	187 Å²	187	154.4 Å²	154.4	87%	0.874	84%	0.842	S	S	*	*			trans	-103.1	158.3	-167.7	-61	164.4	-62.3	0	0	115.7
10	R	25.3	Very low	26	Very low	234 Å²	234	151.1 Å²	151.1	88%	0.883	84%	0.835	S	S	*	*			trans	-168.9	142.7	135	-95.8	170.9	-172.4	-164.4	2.1	106
11	L	24.6	Very low	26	Very low	160 Å²	160	149.5 Å²	149.5	84%	0.838	83%	0.832	S	S	*	*			cis	-146.7	177.8	5.4	-123.8	149.1	0	0	0	109.5
12	V	25.5	Very low	25.9	Very low	141 Å²	141	146.2 Å²	146.2	86%	0.855	82%	0.819	S	S	*	*			trans	-90.2	156	-157.5	173.1	0	0	0	0	115.7
13	L	24.5	Very low	25.7	Very low	159 Å²	159	147.6 Å²	147.6	83%	0.832	82%	0.822	S	S	*	*			trans	-97.5	151.7	-175.3	-102.6	155.5	0	0	0	115.4
14	A	25.3	Very low	25.7	Very low	91 Å²	91	148.8 Å²	148.8	75%	0.752	82%	0.82	S	S	*	*			trans	69.2	123.6	145.8	0	0	0	0	0	122.5
15	A	23.7	Very low	25.4	Very low	92 Å²	92	147.5 Å²	147.5	76%	0.76	82%	0.82	S	S	*	*				173.6	146.2	103.8	0	0	0	0	0	115.9
16	R	22.9	Very low	25.3	Very low	242 Å²	242	149.7 Å²	149.7	91%	0.913	83%	0.826	S	S	*	*			trans	74.6	169.6	165.7	-53.4	-172.6	169.1	-176.1	-3.3	118
17	P	25.9	Very low	25.2	Very low	106 Å²	106	143 Å²	143	69%	0.688	82%	0.818	S	S	*	*				-107.6	173.8	-96.6	27.8	-7.3	0	0	0	113.2	V19	P17-V19 PolarHBondContact O-N 3.31Å
18	P	25.4	Very low	25.2	Very low	134 Å²	134	147.4 Å²	147.4	87%	0.87	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-71.8	121.2	179.4	29.2	-34.2	0	0	0	111.9
19	V	26.1	Very low	25.1	Very low	134 Å²	134	145.7 Å²	145.7	81%	0.812	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-94.3	126.8	165.6	177.8	0	0	0	0	108	P17	P17-V19 PolarHBondContact O-N 3.31Å
20	A	26.9	Very low	25.2	Very low	87 Å²	87	145.6 Å²	145.6	72%	0.719	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-73.3	141.3	179.5	0	0	0	0	0	112.1
21	P	25.8	Very low	25.1	Very low	119 Å²	119	138 Å²	138	77%	0.773	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-87.9	129.3	153.9	31.3	-25.1	0	0	0	109.8	C23	P21-C23 PolarHBondContact O-N 3.09Å; P21-C23 VanDerWaalsContact O-N 3.09Å
22	L	29.6	Very low	25.2	Very low	171 Å²	171	137.4 Å²	137.4	90%	0.895	79%	0.787	S	S	*	*			trans	-57.5	110.1	177.9	-69.9	101	0	0	0	112
23	C	24.1	Very low	25.4	Very low	117 Å²	117	138.1 Å²	138.1	79%	0.791	78%	0.781	S	S	*	*			trans	-90	108.7	158.4	-161.5	0	0	0	0	108.4	P21 T25	P21-C23 PolarHBondContact O-N 3.09Å; P21-C23 VanDerWaalsContact O-N 3.09Å; C23-T25 PolarHBondContact O-N 3.05Å
24	R	24.3	Very low	26	Very low	233 Å²	233	139.1 Å²	139.1	88%	0.879	78%	0.782	S	S	*	*			trans	-66.7	104.6	172.9	-79	-179.4	171.3	178.6	-2.8	108.8	S26	R24-S26 PolarHBondContact O-N 2.97Å
25	T	24.2	Very low	26.7	Very low	131 Å²	131	139 Å²	139	80%	0.804	77%	0.772	S	S	*	*			trans	-69.4	91.9	168.4	49.8	0	0	0	0	109.6	C23 S27	C23-T25 PolarHBondContact O-N 3.05Å; T25-S27 VanDerWaalsContact C-N 3.32Å; T25-S27 PolarHBondContact O-N 2.89Å; T25-S27 VanDerWaalsContact O-N 3.1Å
26	S	24.5	Very low	28	Very low	105 Å²	105	138 Å²	138	73%	0.734	76%	0.759	S	S	*	*			trans	-73.7	92.9	159.1	57.5	0	0	0	0	108	R24 R28	R24-S26 PolarHBondContact O-N 2.97Å; S26-R28 VanDerWaalsContact C-N 3.3Å; S26-R28 PolarHBondContact O-N 3.1Å
27	S	25.2	Very low	29.8	Very low	113 Å²	113	131 Å²	131	79%	0.79	74%	0.737	S	S	*	*			trans	-65.8	90	170.4	53.6	0	0	0	0	109.6	T25 S29	T25-S27 VanDerWaalsContact C-N 3.32Å; T25-S27 PolarHBondContact O-N 2.89Å; T25-S27 VanDerWaalsContact O-N 3.1Å; S27-S29 PolarHBondContact O-N 3.45Å
28	R	24.4	Very low	31.5	Very low	188 Å²	188	131.4 Å²	131.4	71%	0.709	73%	0.728	S	S	*	*			trans	-78.6	98.5	158.6	-79	-172.3	173.4	-176.7	-2.2	107.5	S26 Y30	S26-R28 VanDerWaalsContact C-N 3.3Å; S26-R28 PolarHBondContact O-N 3.1Å; R28-Y30 HydrophobicContact CB-CD2 4.07Å; R28-Y30 HydrophobicContact CB-CE2 3.67Å; R28-Y30 WeakPolarHBondContact O-CD2 3.41Å; R28-Y30 PolarHBondContact O-N 2.85Å; R28-Y30 VanDerWaalsContact O-N 3.14Å
29	S	23	Very low	32.7	Very low	116 Å²	116	130 Å²	130	81%	0.811	72%	0.721	S	S	*	*			trans	-62.2	105.9	155.8	50.4	0	0	0	0	107.4	S27	S27-S29 PolarHBondContact O-N 3.45Å
30	Y	27.2	Very low	33.7	Very low	184 Å²	184	126.2 Å²	126.2	72%	0.722	70%	0.698	S	S	*	*			trans	-74.3	124.9	167.8	-79.4	-92.3	0	0	0	108.1	R28	R28-Y30 HydrophobicContact CB-CD2 4.07Å; R28-Y30 HydrophobicContact CB-CE2 3.67Å; R28-Y30 WeakPolarHBondContact O-CD2 3.41Å; R28-Y30 PolarHBondContact O-N 2.85Å; R28-Y30 VanDerWaalsContact O-N 3.14Å
31	S	24.6	Very low	34.1	Very low	74 Å²	74	126.9 Å²	126.9	52%	0.517	70%	0.695	S	S	.	*			trans	-65.1	146.1	170.5	38.9	0	0	0	0	109.4	E33	S31-E33 WeakPolarHBondContact CB-OE1 3.18Å; S31-E33 PolarHBondContact O-N 3.1Å; S31-E33 VanDerWaalsContact OG-CD 3.29Å; S31-E33 PolarHBondContact OG-OE1 3.09Å
32	T	26.6	Very low	34.5	Very low	148 Å²	148	124.7 Å²	124.7	91%	0.908	67%	0.672	S	S	*	*			trans	-73.2	74.8	160.9	50	0	0	0	0	108.4
33	E	28.3	Very low	34.7	Very low	156 Å²	156	122.4 Å²	122.4	73%	0.729	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-94.1	138.5	170.5	-86.2	167.7	-133.7	0	0	110	S31	S31-E33 WeakPolarHBondContact CB-OE1 3.18Å; S31-E33 PolarHBondContact O-N 3.1Å; S31-E33 VanDerWaalsContact OG-CD 3.29Å; S31-E33 PolarHBondContact OG-OE1 3.09Å
34	H	38.1	Very low	35.1	Very low	181 Å²	181	126.4 Å²	126.4	84%	0.838	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-63.2	137.9	178.4	-65.9	-94.3	0	0	0	110.3	S36	H34-S36 PolarHBondContact O-N 2.92Å
35	T	40.8	Very low	35.5	Very low	88 Å²	88	121 Å²	121	54%	0.54	65%	0.654	S	S	.	*	P	Polyproline II helix	trans	-56	127.4	173.9	46.6	0	0	0	0	111
36	S	50	Low	36	Very low	71 Å²	71	119.4 Å²	119.4	50%	0.497	64%	0.64	S	S	.	*	P	Polyproline II helix	trans	-67.8	129.6	178.2	27.3	0	0	0	0	112.5	H34 D348	H34-S36 PolarHBondContact O-N 2.92Å; S36-D348 PolarHBondContact OG-OD2 2.88Å
37	E	61.8	Low	36.3	Very low	96 Å²	96	124.7 Å²	124.7	45%	0.449	65%	0.65	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-74.7	136.6	167	-64.4	179.3	164.5	0	0	109.8	F342	E37-F342 HydrophobicContact CG-CD2 4.29Å; E37-F342 HydrophobicContact CG-CE2 4.43Å
38	K	60.8	Low	36.8	Very low	114 Å²	114	125.1 Å²	125.1	50%	0.496	64%	0.639	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-112.4	117.4	172.3	-77.1	176.8	170.3	169.4	0	110.3	S345 L346 D348	K38-S345 WeakPolarHBondContact O-CA 3.37Å; K38-L346 PolarHBondContact N-O 3.14Å; K38-L346 PolarHBondContact O-N 2.86Å; K38-D348 WeakPolarHBondContact CD-OD1 3.35Å; K38-D348 WeakPolarHBondContact CE-OD1 3.32Å; K38-D348 IonicContact NZ-OD1 3.65Å; K38-D348 PolarHBondContact NZ-OD1 3.1Å
39	S	51.2	Low	37.3	Very low	105 Å²	105	125.1 Å²	125.1	73%	0.734	65%	0.647	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-73.1	129.9	168.2	52.1	0	0	0	0	110.1
40	V	46.3	Very low	37.7	Very low	53 Å²	53	129.3 Å²	129.3	32%	0.321	65%	0.654	S	S	.	*			trans	-95.9	125.9	176.8	-178.8	0	0	0	0	108.8	Y42 W104 F344 L346	V40-Y42 VanDerWaalsContact C-N 3.26Å; V40-Y42 PolarHBondContact O-N 3.19Å; V40-W104 HydrophobicContact CB-CH2 4.18Å; V40-W104 HydrophobicContact CG1-CH2 4.34Å; V40-W104 HydrophobicContact CG2-CH2 3.95Å; V40-F344 PolarHBondContact N-O 3.23Å; V40-L346 HydrophobicContact CG2-CD1 3.92Å; V40-L346 HydrophobicContact CG2-CG 4.11Å
41	P	35.8	Very low	38.4	Very low	102 Å²	102	123.8 Å²	123.8	66%	0.662	65%	0.653	S	S	*	*			trans	-73.3	78.8	-179.1	29.1	-34.7	0	0	0	111.6	E43	P41-E43 PolarHBondContact O-N 2.72Å
42	Y	33.8	Very low	39.3	Very low	73 Å²	73	125.2 Å²	125.2	29%	0.286	67%	0.669	S	S	.	*	G	3₁₀ helix	trans	-72.6	-4.1	-179.2	-157.5	-99.9	0	0	0	113.5	V40 K44 W104 F344	V40-Y42 VanDerWaalsContact C-N 3.26Å; V40-Y42 PolarHBondContact O-N 3.19Å; Y42-K44 VanDerWaalsContact C-N 3.28Å; Y42-K44 PolarHBondContact O-N 3.24Å; Y42-W104 HydrophobicContact CD2-CE3 4.43Å; Y42-W104 HydrophobicContact CE2-CE3 4.14Å; Y42-F344 HydrophobicContact CD1-CD1 4.42Å; Y42-F344 HydrophobicContact CD1-CE1 4.38Å; Y42-F344 HydrophobicContact CD2-CD1 4.43Å; Y42-F344 HydrophobicContact CE1-CE1 4.28Å; Y42-F344 HydrophobicContact CG-CD1 4.31Å
43	E	33.3	Very low	40.3	Very low	122 Å²	122	121.9 Å²	121.9	57%	0.57	65%	0.652	S	S	*	*	G	3₁₀ helix	trans	-67.7	-19.9	-174	-59.6	-177.2	136.7	0	0	114.4	P41 T45 Q48	P41-E43 PolarHBondContact O-N 2.72Å; E43-T45 VanDerWaalsContact C-N 3.34Å; E43-T45 PolarHBondContact O-N 3.37Å; E43-Q48 PolarHBondContact OE1-NE2 3.01Å
44	K	33.3	Very low	42.2	Very low	202 Å²	202	121.6 Å²	121.6	88%	0.878	66%	0.661	S	S	*	*	G	3₁₀ helix	trans	-78.1	-8.6	-171.5	-75.8	-175.3	175.3	177.3	0	115.8	Y42	Y42-K44 VanDerWaalsContact C-N 3.28Å; Y42-K44 PolarHBondContact O-N 3.24Å
45	T	32.2	Very low	44.4	Very low	119 Å²	119	113.7 Å²	113.7	73%	0.73	63%	0.628	S	S	*	*	G	3₁₀ helix	trans	-105.6	-12.3	-173.8	-32.9	0	0	0	0	113.7	E43	E43-T45 VanDerWaalsContact C-N 3.34Å; E43-T45 PolarHBondContact O-N 3.37Å
46	L	34.3	Very low	46.9	Very low	98 Å²	98	111 Å²	111	51%	0.513	61%	0.612	S	S	.	*	S	Bend	trans	-132.9	124.2	175.8	-71.2	170.2	0	0	0	108.2	Q48	L46-Q48 PolarHBondContact O-N 3.29Å
47	K	32	Very low	49.1	Very low	216 Å²	216	110.7 Å²	110.7	94%	0.939	61%	0.607	S	S	*	*			trans	-54.8	113.5	174.6	-74.3	-176.3	174.9	-177	0	109.5
48	Q	34.3	Very low	50.7	Low	122 Å²	122	110 Å²	110	57%	0.57	60%	0.603	S	S	*	*			trans	-66.7	131	159.2	-81.2	175.8	-16	0	0	108.3	E43 L46	E43-Q48 PolarHBondContact OE1-NE2 3.01Å; L46-Q48 PolarHBondContact O-N 3.29Å
49	E	35.2	Very low	52.3	Low	187 Å²	187	110.2 Å²	110.2	87%	0.874	62%	0.616	S	S	*	*			trans	-81.4	128.5	150.4	-68.2	-174.9	156.2	0	0	106.7	G51	E49-G51 PolarHBondContact O-N 2.72Å
50	E	31.8	Very low	54.5	Low	205 Å²	205	107 Å²	107	96%	0.958	59%	0.591	S	S	*	*	S	Bend	trans	-68.2	98.5	-178.1	-69	-179.1	141.5	0	0	110.1
51	G	41.5	Very low	56.9	Low	68 Å²	68	106.2 Å²	106.2	70%	0.701	59%	0.586	S	S	*	*			trans	164.3	49.9	-176.5	0	0	0	0	0	113.9	E49 S53	E49-G51 PolarHBondContact O-N 2.72Å; G51-S53 PolarHBondContact O-N 2.76Å
52	A	43.3	Very low	59.8	Low	103 Å²	103	110.8 Å²	110.8	85%	0.851	59%	0.59	S	S	*	*			trans	-62.8	105.8	-179.8	0	0	0	0	0	111.5
53	S	47.8	Very low	62.9	Low	79 Å²	79	109.9 Å²	109.9	55%	0.552	60%	0.595	S	S	*	*			trans	-69.5	131.2	171.8	53.3	0	0	0	0	110.2	G51 G55	G51-S53 PolarHBondContact O-N 2.76Å; S53-G55 PolarHBondContact O-N 3.49Å
54	T	68.2	Low	66	Low	150 Å²	150	104.2 Å²	104.2	92%	0.92	57%	0.569	S	S	*	*	S	Bend	trans	-80.3	40.2	-179.6	60	0	0	0	0	112.4
55	G	83.8	Confident	69.1	Low	14 Å²	14	98.3 Å²	98.3	14%	0.144	55%	0.547	C	S	.	.	S	Bend	trans	-158.8	177.3	-172	0	0	0	0	0	112.5	S53 N231	S53-G55 PolarHBondContact O-N 3.49Å; G55-N231 WeakPolarHBondContact O-CB 3.1Å
56	P	94.6	Very high	72.3	Confident	31 Å²	31	92.8 Å²	92.8	20%	0.201	51%	0.513	C	S	.	.			trans	-64.3	140.2	-170.5	27.4	-35.7	0	0	0	110.9	K58 L60 I229 E230 C232 H256	P56-K58 WeakPolarHBondContact CB-O 3.18Å; P56-K58 PolarHBondContact O-N 3.07Å; P56-L60 HydrophobicContact CB-CD1 4.01Å; P56-L60 HydrophobicContact CG-CD1 3.72Å; P56-I229 HydrophobicContact CB-CG2 3.59Å; P56-E230 WeakPolarHBondContact CA-O 3.27Å; P56-C232 HydrophobicContact CB-CB 4.21Å; P56-H256 HydrophobicContact CG-CB 4.27Å
57	T	96.3	Very high	75.4	Confident	66 Å²	66	88.1 Å²	88.1	41%	0.405	49%	0.488	S	S	.	.	S	Bend	trans	-63.7	-13.7	-177.9	48.6	0	0	0	0	114.4	E230	T57-E230 HydrophobicContact CG2-CB 3.8Å; T57-E230 PolarHBondContact N-O 3.06Å; T57-E230 PolarHBondContact OG1-N 3.42Å; T57-E230 PolarHBondContact OG1-O 3.04Å
58	K	94.9	Very high	78.6	Confident	80 Å²	80	77.8 Å²	77.8	35%	0.348	44%	0.444	S	S	.	.	S	Bend	trans	-143.1	154.6	171.3	-63.8	179.6	-171.5	148.7	0	109.9	P56 T227 V228 I229	P56-K58 WeakPolarHBondContact CB-O 3.18Å; P56-K58 PolarHBondContact O-N 3.07Å; K58-T227 HydrophobicContact CD-CG2 4.15Å; K58-V228 WeakPolarHBondContact CD-O 3.47Å; K58-V228 PolarHBondContact NZ-O 3.26Å; K58-I229 HydrophobicContact CB-CG1 4.43Å
59	P	94.6	Very high	81.7	Confident	119 Å²	119	72.6 Å²	72.6	77%	0.773	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-56.5	141.8	168.6	-22.2	33.5	0	0	0	111.4
60	L	96.8	Very high	84.7	Confident	39 Å²	39	64.1 Å²	64.1	20%	0.204	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-68.7	135.4	175.9	-81.4	69.1	0	0	0	110.1	P56 T254 H256 I259	P56-L60 HydrophobicContact CB-CD1 4.01Å; P56-L60 HydrophobicContact CG-CD1 3.72Å; L60-T254 HydrophobicContact CD2-CG2 4.11Å; L60-T254 VanDerWaalsContact CD2-OG1 3.27Å; L60-T254 WeakPolarHBondContact CD2-OG1 3.22Å; L60-H256 HydrophobicContact CD1-CB 3.87Å; L60-H256 HydrophobicContact CD2-CB 4.31Å; L60-I259 HydrophobicContact CB-CD1 4.49Å; L60-I259 HydrophobicContact CB-CG1 4.41Å; L60-I259 HydrophobicContact CD2-CD1 4.28Å; L60-I259 HydrophobicContact CD2-CG1 4.11Å; L60-I259 HydrophobicContact CG-CD1 4.29Å; L60-I259 HydrophobicContact CG-CG1 4.47Å
61	P	97.3	Very high	87.8	Confident	36 Å²	36	54.3 Å²	54.3	23%	0.234	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-68.5	147.2	168.1	31.5	-35	0	0	0	109.7	S63 A91 I259	P61-S63 VanDerWaalsContact C-N 3.25Å; P61-S63 PolarHBondContact O-N 2.93Å; P61-A91 HydrophobicContact CG-CB 4.32Å; P61-I259 HydrophobicContact CG-CD1 4.12Å; P61-I259 HydrophobicContact CG-CG2 4.26Å
62	R	97.5	Very high	90.5	Very high	198 Å²	198	51.8 Å²	51.8	75%	0.747	31%	0.31	S	S	*	.	S	Bend	trans	-62.6	-35.3	175.8	178.3	178	170.7	-179.4	-2.2	112.2	E260	R62-E260 PolarHBondContact O-N 3.42Å
63	S	98.5	Very high	93	Very high	54 Å²	54	47.4 Å²	47.4	38%	0.378	27%	0.273	S	S	.	.	B	Isolated β-bridge	trans	-149.1	158.8	178.9	57.4	0	0	0	0	111.3	P61 E260	P61-S63 VanDerWaalsContact C-N 3.25Å; P61-S63 PolarHBondContact O-N 2.93Å; S63-E260 CarbonylContact C-O 3.51Å; S63-E260 WeakPolarHBondContact CA-O 3.3Å; S63-E260 VanDerWaalsContact CB-O 3.27Å; S63-E260 WeakPolarHBondContact CB-O 3.38Å
64	A	98.6	Very high	95.4	Very high	3 Å²	3	44.1 Å²	44.1	3%	0.025	25%	0.249	C	C	.	.			trans	-145.3	148.4	172.5	0	0	0	0	0	109.7	V66 V67 A91 I259 E260 T261	A64-V66 PolarHBondContact O-N 2.91Å; A64-V67 HydrophobicContact CB-CG2 4.04Å; A64-A91 HydrophobicContact CB-CB 4.25Å; A64-I259 HydrophobicContact CB-CG2 4.07Å; A64-E260 PolarHBondContact N-O 2.88Å; A64-T261 WeakPolarHBondContact O-CA 3.41Å; A64-T261 WeakPolarHBondContact O-CB 3.39Å; A64-T261 PolarHBondContact O-OG1 3.21Å
65	D	98.6	Very high	96.8	Very high	78 Å²	78	37 Å²	37	42%	0.417	21%	0.206	S	C	.	.	S	Bend	trans	-67.2	-33.3	175.3	-63.4	-8.9	0	0	0	110.5	N89 T261 P262 C263	D65-N89 HydrophobicContact CB-CB 4.35Å; D65-N89 PolarHBondContact N-ND2 3.11Å; D65-N89 PolarHBondContact N-O 3.07Å; D65-N89 PolarHBondContact OD1-ND2 3.1Å; D65-T261 PolarHBondContact O-OG1 2.87Å; D65-P262 WeakPolarHBondContact O-CD 3.27Å; D65-P262 WeakPolarHBondContact O-CG 3.41Å; D65-C263 WeakPolarHBondContact O-CB 3.23Å
66	V	98.9	Very high	97.6	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.012	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	134.7	176.4	-175.8	0	0	0	0	110	A64 V68 L82 M87 V90 A91 C263 V265 I425	A64-V66 PolarHBondContact O-N 2.91Å; V66-V68 HydrophobicContact CG1-CG2 4.08Å; V66-L82 HydrophobicContact CG1-CD1 4.18Å; V66-M87 HydrophobicContact CG2-SD 3.53Å; V66-M87 VanDerWaalsContact CG2-SD 3.53Å; V66-V90 HydrophobicContact CB-CG1 4.28Å; V66-V90 HydrophobicContact CB-CG2 4.3Å; V66-V90 WeakPolarHBondContact O-CA 3.26Å; V66-A91 PolarHBondContact O-N 2.71Å; V66-C263 HydrophobicContact CB-CB 4.46Å; V66-C263 HydrophobicContact CG1-CB 4.44Å; V66-C263 HydrophobicContact CG2-CB 4.1Å; V66-V265 HydrophobicContact CG1-CG2 3.63Å; V66-I425 HydrophobicContact CG2-CG2 3.7Å
67	V	98.9	Very high	97.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	115.2	166.4	-177.7	0	0	0	0	109.8	A64 I69 A91 L93 V252 I259 T261 C263 V264 V265	A64-V67 HydrophobicContact CB-CG2 4.04Å; V67-I69 HydrophobicContact CG1-CG1 4.06Å; V67-A91 CarbonylContact C-O 3.31Å; V67-A91 WeakPolarHBondContact CA-O 3.44Å; V67-A91 HydrophobicContact CG2-CB 4.46Å; V67-L93 HydrophobicContact CG1-CD1 3.72Å; V67-L93 HydrophobicContact CG1-CG 3.88Å; V67-V252 HydrophobicContact CB-CG2 3.89Å; V67-V252 HydrophobicContact CG1-CB 4.37Å; V67-V252 HydrophobicContact CG1-CG1 4.46Å; V67-V252 HydrophobicContact CG1-CG2 3.88Å; V67-V252 HydrophobicContact CG2-CG2 4.15Å; V67-I259 HydrophobicContact CG2-CB 4.43Å; V67-I259 HydrophobicContact CG2-CG2 3.96Å; V67-T261 HydrophobicContact CB-CG2 4.28Å; V67-T261 HydrophobicContact CG2-CG2 3.76Å; V67-C263 PolarHBondContact N-O 3.34Å; V67-V264 CarbonylContact O-C 3.57Å; V67-V264 WeakPolarHBondContact O-CA 3.39Å; V67-V265 PolarHBondContact O-N 3.12Å
68	V	98.9	Very high	97.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	127.7	173.6	-177.6	0	0	0	0	108.7	V66 T78 V79 L82 V90 A91 L92 L93 V265 C267	V66-V68 HydrophobicContact CG1-CG2 4.08Å; V68-T78 HydrophobicContact CG2-CG2 4.14Å; V68-V79 HydrophobicContact CB-CG1 3.82Å; V68-V79 HydrophobicContact CG1-CG1 4.26Å; V68-V79 HydrophobicContact CG2-CG1 3.54Å; V68-L82 HydrophobicContact CG2-CD1 4.31Å; V68-V90 HydrophobicContact CG2-CG1 4.28Å; V68-A91 PolarHBondContact N-O 2.89Å; V68-L92 HydrophobicContact CG1-CD1 4.47Å; V68-L92 CarbonylContact O-C 3.48Å; V68-L92 WeakPolarHBondContact O-CA 3.21Å; V68-L93 PolarHBondContact O-N 2.71Å; V68-V265 HydrophobicContact CB-CB 4.46Å; V68-V265 HydrophobicContact CG1-CB 4.38Å; V68-V265 HydrophobicContact CG2-CB 4.09Å; V68-V265 HydrophobicContact CG2-CG2 4.01Å; V68-C267 HydrophobicContact CG1-CB 4.2Å
69	I	98.9	Very high	98	Very high	12 Å²	12	28 Å²	28	6%	0.062	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	118.3	-174.1	-53.3	170	0	0	0	109.1	V67 V234 I237 V252 V264 V265 C267 A268 L275	V67-I69 HydrophobicContact CG1-CG1 4.06Å; I69-V234 HydrophobicContact CD1-CB 4.46Å; I69-V234 HydrophobicContact CD1-CG1 4.17Å; I69-V234 HydrophobicContact CD1-CG2 3.95Å; I69-V234 HydrophobicContact CG1-CG2 4.06Å; I69-V234 HydrophobicContact CG2-CB 4.22Å; I69-V234 HydrophobicContact CG2-CG2 3.76Å; I69-I237 HydrophobicContact CD1-CD1 3.85Å; I69-V252 HydrophobicContact CD1-CG1 4.22Å; I69-V252 HydrophobicContact CD1-CG2 4.33Å; I69-V264 HydrophobicContact CD1-CG1 3.7Å; I69-V265 PolarHBondContact N-O 3.17Å; I69-C267 CarbonylContact O-C 3.58Å; I69-C267 VanDerWaalsContact O-CA 3.25Å; I69-C267 WeakPolarHBondContact O-CA 3.35Å; I69-C267 VanDerWaalsContact O-CB 3.3Å; I69-C267 WeakPolarHBondContact O-CB 3.36Å; I69-C267 PolarHBondContact O-N 3.35Å; I69-A268 PolarHBondContact O-N 2.68Å; I69-L275 HydrophobicContact CB-CD2 3.74Å; I69-L275 HydrophobicContact CD1-CD1 4.14Å; I69-L275 HydrophobicContact CD1-CD2 3.93Å; I69-L275 HydrophobicContact CG1-CD2 4.45Å; I69-L275 HydrophobicContact CG2-CD2 3.5Å; I69-L275 VanDerWaalsContact CG2-CD2 3.5Å
70	G	98.4	Very high	98.2	Very high	9 Å²	9	22.3 Å²	22.3	9%	0.093	12%	0.117	C	C	.	.			trans	108.3	116.6	-173.4	0	0	0	0	0	112.1	G72 G75 L93	G70-G72 VanDerWaalsContact C-N 3.31Å; G70-G72 PolarHBondContact O-N 3.3Å; G70-G75 WeakPolarHBondContact O-CA 2.91Å; G70-L93 PolarHBondContact N-O 3.27Å
71	G	97.8	Very high	98.3	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.108	C	C	.	.			trans	-92	25.7	177.2	0	0	0	0	0	114.1	E94 T99	G71-E94 VanDerWaalsContact CA-OE2 3.31Å; G71-E94 WeakPolarHBondContact CA-OE2 3.26Å; G71-E94 PolarHBondContact N-OE2 2.91Å; G71-T99 PolarHBondContact O-N 3.11Å
72	G	97.2	Very high	98.4	Very high	14 Å²	14	18.9 Å²	18.9	14%	0.144	10%	0.097	C	C	.	.	S	Bend	trans	-77.6	-179.7	167.4	0	0	0	0	0	112.4	G70 I74 G75 C76	G70-G72 VanDerWaalsContact C-N 3.31Å; G70-G72 PolarHBondContact O-N 3.3Å; G72-I74 PolarHBondContact O-N 3.19Å; G72-G75 PolarHBondContact O-N 3.01Å; G72-C76 PolarHBondContact O-N 3.18Å
73	S	96.9	Very high	98.4	Very high	12 Å²	12	9.7 Å²	9.7	8%	0.084	6%	0.063	C	C	.	.	H	α-helix	trans	-44.4	-53.9	-177.6	52.9	0	0	0	0	114.5	G75 C76 Q77 T103 M411	S73-G75 PolarHBondContact O-N 3.47Å; S73-C76 PolarHBondContact O-N 3.22Å; S73-Q77 WeakPolarHBondContact O-CB 3.45Å; S73-Q77 WeakPolarHBondContact O-CG 3.36Å; S73-Q77 PolarHBondContact O-N 2.93Å; S73-T103 PolarHBondContact N-OG1 3.04Å; S73-M411 WeakPolarHBondContact CB-SD 3.2Å
74	I	98.1	Very high	98.3	Very high	9 Å²	9	10.7 Å²	10.7	5%	0.046	6%	0.06	C	C	.	.	H	α-helix	trans	-68.2	-32.8	-178	-171.4	61.7	0	0	0	113.5	G72 T78 C267 G403 F406 C417	G72-I74 PolarHBondContact O-N 3.19Å; I74-T78 VanDerWaalsContact O-CB 3.3Å; I74-T78 WeakPolarHBondContact O-CB 3.15Å; I74-T78 PolarHBondContact O-N 2.84Å; I74-T78 PolarHBondContact O-OG1 2.89Å; I74-C267 HydrophobicContact CG2-CB 3.9Å; I74-G403 WeakPolarHBondContact CG2-O 3.47Å; I74-F406 HydrophobicContact CB-CE2 4.02Å; I74-F406 HydrophobicContact CB-CZ 4.32Å; I74-F406 HydrophobicContact CD1-CE1 4.33Å; I74-F406 HydrophobicContact CD1-CE2 4.03Å; I74-F406 HydrophobicContact CD1-CZ 3.54Å; I74-F406 HydrophobicContact CG1-CE2 3.65Å; I74-F406 HydrophobicContact CG1-CZ 3.72Å; I74-F406 HydrophobicContact CG2-CE2 4.26Å; I74-C417 HydrophobicContact CD1-CB 4.15Å
75	G	98.5	Very high	98.3	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-66.5	-48.5	174.5	0	0	0	0	0	111.8	G70 G72 S73 Q77 T78 V79	G70-G75 WeakPolarHBondContact O-CA 2.91Å; G72-G75 PolarHBondContact O-N 3.01Å; S73-G75 PolarHBondContact O-N 3.47Å; G75-Q77 PolarHBondContact O-N 2.8Å; G75-T78 PolarHBondContact O-N 3.28Å; G75-V79 PolarHBondContact O-N 2.86Å
76	C	98.6	Very high	98.2	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-57.2	-45.6	173.7	-70.4	0	0	0	0	112.4	G72 S73 V79 Y80 C214 L217 S218	G72-C76 PolarHBondContact O-N 3.18Å; S73-C76 PolarHBondContact O-N 3.22Å; C76-V79 WeakPolarHBondContact O-CG2 3.24Å; C76-Y80 VanDerWaalsContact O-CB 3.3Å; C76-Y80 WeakPolarHBondContact O-CB 3.26Å; C76-Y80 PolarHBondContact O-N 3.4Å; C76-C214 HydrophobicContact CB-CB 4.36Å; C76-L217 HydrophobicContact CB-CB 3.95Å; C76-L217 HydrophobicContact CB-CD1 4.1Å; C76-S218 PolarHBondContact SG-OG 3.3Å
77	Q	98.3	Very high	98.2	Very high	2 Å²	2	14.9 Å²	14.9	1%	0.009	9%	0.093	C	C	.	.	H	α-helix	trans	-63	-44	176	-68.7	-77.3	15.7	0	0	111.7	S73 G75 Y80 H81 L217 G414	S73-Q77 WeakPolarHBondContact O-CB 3.45Å; S73-Q77 WeakPolarHBondContact O-CG 3.36Å; S73-Q77 PolarHBondContact O-N 2.93Å; G75-Q77 PolarHBondContact O-N 2.8Å; Q77-Y80 PolarHBondContact O-N 3.37Å; Q77-H81 WeakPolarHBondContact O-CB 3.33Å; Q77-H81 PolarHBondContact O-CD2 3.48Å; Q77-H81 PolarHBondContact O-N 2.71Å; Q77-L217 VanDerWaalsContact CD-CD1 3.47Å; Q77-L217 HydrophobicContact CG-CD1 3.78Å; Q77-L217 VanDerWaalsContact OE1-CD2 3.23Å; Q77-G414 VanDerWaalsContact CB-O 3.31Å; Q77-G414 WeakPolarHBondContact CB-O 3.39Å; Q77-G414 WeakPolarHBondContact CG-O 3.5Å
78	T	98.6	Very high	98	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-60.5	-49.7	179.9	-60.2	0	0	0	0	111.2	V68 I74 G75 H81 L82 V265 L421 I425	V68-T78 HydrophobicContact CG2-CG2 4.14Å; I74-T78 VanDerWaalsContact O-CB 3.3Å; I74-T78 WeakPolarHBondContact O-CB 3.15Å; I74-T78 PolarHBondContact O-N 2.84Å; I74-T78 PolarHBondContact O-OG1 2.89Å; G75-T78 PolarHBondContact O-N 3.28Å; T78-H81 PolarHBondContact O-N 3.17Å; T78-L82 HydrophobicContact CG2-CD1 4Å; T78-L82 HydrophobicContact CG2-CG 4.41Å; T78-L82 VanDerWaalsContact O-CG 3.31Å; T78-L82 WeakPolarHBondContact O-CG 3.32Å; T78-L82 PolarHBondContact O-N 2.99Å; T78-V265 HydrophobicContact CG2-CG1 4.42Å; T78-L421 HydrophobicContact CG2-CD2 4.31Å; T78-L421 HydrophobicContact CG2-CG 4.44Å; T78-I425 HydrophobicContact CG2-CD1 4.25Å
79	V	98.8	Very high	97.9	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-70.6	-33.3	-179.9	-61.6	0	0	0	0	113.5	V68 G75 C76 A83 V90 L92 A221 V226	V68-V79 HydrophobicContact CB-CG1 3.82Å; V68-V79 HydrophobicContact CG1-CG1 4.26Å; V68-V79 HydrophobicContact CG2-CG1 3.54Å; G75-V79 PolarHBondContact O-N 2.86Å; C76-V79 WeakPolarHBondContact O-CG2 3.24Å; V79-A83 VanDerWaalsContact O-CB 3.23Å; V79-A83 WeakPolarHBondContact O-CB 3.47Å; V79-A83 PolarHBondContact O-N 2.82Å; V79-V90 HydrophobicContact CG1-CG1 3.85Å; V79-L92 HydrophobicContact CG1-CB 4.13Å; V79-L92 HydrophobicContact CG1-CD1 4.03Å; V79-L92 HydrophobicContact CG2-CD1 3.85Å; V79-A221 HydrophobicContact CB-CB 4.42Å; V79-A221 HydrophobicContact CG2-CB 3.93Å; V79-V226 HydrophobicContact CB-CG1 3.94Å; V79-V226 HydrophobicContact CG1-CG1 4.28Å; V79-V226 HydrophobicContact CG2-CG1 4.3Å
80	Y	98.6	Very high	97.9	Very high	0 Å²	0	21 Å²	21	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-58.9	-47.5	170.7	165.9	-113.1	0	0	0	111.3	C76 Q77 A83 K84 V129 L134 E137 L217 A220	C76-Y80 VanDerWaalsContact O-CB 3.3Å; C76-Y80 WeakPolarHBondContact O-CB 3.26Å; C76-Y80 PolarHBondContact O-N 3.4Å; Q77-Y80 PolarHBondContact O-N 3.37Å; Y80-A83 PolarHBondContact O-N 3.14Å; Y80-K84 HydrophobicContact CE1-CD 4.24Å; Y80-K84 HydrophobicContact CE2-CD 4.02Å; Y80-K84 VanDerWaalsContact O-CB 3.26Å; Y80-K84 WeakPolarHBondContact O-CB 3.42Å; Y80-K84 PolarHBondContact O-N 3.47Å; Y80-K84 WeakPolarHBondContact OH-CD 3.38Å; Y80-K84 PolarHBondContact OH-NZ 3Å; Y80-V129 HydrophobicContact CE1-CG1 3.86Å; Y80-V129 HydrophobicContact CE1-CG2 4.45Å; Y80-L134 HydrophobicContact CD2-CD2 4.24Å; Y80-L134 HydrophobicContact CE1-CD2 4.29Å; Y80-L134 HydrophobicContact CE2-CD2 3.8Å; Y80-E137 PolarHBondContact OH-OE1 2.71Å; Y80-L217 HydrophobicContact CD1-CD2 3.37Å; Y80-L217 HydrophobicContact CD2-CD2 4.26Å; Y80-L217 HydrophobicContact CE1-CD2 4.05Å; Y80-L217 HydrophobicContact CG-CD2 3.49Å; Y80-L217 VanDerWaalsContact CG-CD2 3.49Å; Y80-A220 HydrophobicContact CD2-CB 3.7Å; Y80-A220 HydrophobicContact CE2-CB 3.86Å
81	H	98.7	Very high	97.9	Very high	4 Å²	4	20.5 Å²	20.5	2%	0.019	12%	0.124	C	C	.	.	H	α-helix	trans	-72.2	-37.4	-179.1	-72.4	-57.5	0	0	0	113.5	Q77 T78 A83 K84 M85 H125 G415 G418 R419 A422	Q77-H81 WeakPolarHBondContact O-CB 3.33Å; Q77-H81 PolarHBondContact O-CD2 3.48Å; Q77-H81 PolarHBondContact O-N 2.71Å; T78-H81 PolarHBondContact O-N 3.17Å; H81-A83 VanDerWaalsContact C-N 3.35Å; H81-K84 PolarHBondContact O-N 3.14Å; H81-M85 HydrophobicContact CB-CE 4.41Å; H81-M85 WeakPolarHBondContact O-CB 3.39Å; H81-M85 VanDerWaalsContact O-CG 3.26Å; H81-M85 WeakPolarHBondContact O-CG 3.49Å; H81-M85 PolarHBondContact O-N 3.35Å; H81-H125 AromaticContact CE1-NE2 3.21Å; H81-H125 PolarHBondContact CE1-NE2 2.91Å; H81-H125 AromaticContact NE2-NE2 3.82Å; H81-G415 PolarHBondContact NE2-O 3.45Å; H81-G418 VanDerWaalsContact CD2-C 3.4Å; H81-R419 PolarHBondContact CD2-N 2.84Å; H81-A422 HydrophobicContact CB-CB 3.65Å
82	L	98.7	Very high	98	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-57.5	-48.4	170.5	-72.4	171.7	0	0	0	110.8	V66 V68 T78 M85 G86 M87 V90 A422 I425 I426	V66-L82 HydrophobicContact CG1-CD1 4.18Å; V68-L82 HydrophobicContact CG2-CD1 4.31Å; T78-L82 HydrophobicContact CG2-CD1 4Å; T78-L82 HydrophobicContact CG2-CG 4.41Å; T78-L82 VanDerWaalsContact O-CG 3.31Å; T78-L82 WeakPolarHBondContact O-CG 3.32Å; T78-L82 PolarHBondContact O-N 2.99Å; L82-M85 CarbonylContact O-C 3.51Å; L82-M85 PolarHBondContact O-N 3.39Å; L82-G86 PolarHBondContact O-N 3.43Å; L82-M87 CarbonylContact C-O 3.39Å; L82-M87 HydrophobicContact CB-CB 4.43Å; L82-M87 HydrophobicContact CD2-SD 3.93Å; L82-M87 PolarHBondContact O-N 3.09Å; L82-V90 HydrophobicContact CB-CG2 4.46Å; L82-V90 HydrophobicContact CD1-CG1 4.11Å; L82-V90 HydrophobicContact CD1-CG2 4.33Å; L82-A422 HydrophobicContact CD2-CB 3.86Å; L82-A422 HydrophobicContact CG-CB 3.98Å; L82-I425 HydrophobicContact CD1-CD1 4.38Å; L82-I425 HydrophobicContact CD2-CB 4.21Å; L82-I425 HydrophobicContact CD2-CD1 4.25Å; L82-I425 HydrophobicContact CD2-CG2 4.16Å; L82-I426 HydrophobicContact CD2-CD1 3.85Å; L82-I426 HydrophobicContact CD2-CG1 3.87Å
83	A	98.3	Very high	98.1	Very high	4 Å²	4	19.9 Å²	19.9	3%	0.033	12%	0.118	C	C	.	.	H	α-helix	trans	-66.2	-40.3	179.7	0	0	0	0	0	113	V79 Y80 H81 M85 G86 M87 A221 R224 V226	V79-A83 VanDerWaalsContact O-CB 3.23Å; V79-A83 WeakPolarHBondContact O-CB 3.47Å; V79-A83 PolarHBondContact O-N 2.82Å; Y80-A83 PolarHBondContact O-N 3.14Å; H81-A83 VanDerWaalsContact C-N 3.35Å; A83-M85 PolarHBondContact O-N 3Å; A83-G86 PolarHBondContact O-N 2.83Å; A83-M87 WeakPolarHBondContact CA-O 3.11Å; A83-A221 HydrophobicContact CB-CB 4.44Å; A83-R224 HydrophobicContact CB-CB 3.87Å; A83-V226 HydrophobicContact CB-CG2 3.62Å
84	K	97	Very high	98.1	Very high	75 Å²	75	20.1 Å²	20.1	33%	0.326	12%	0.118	S	C	.	.	H	α-helix	trans	-66.9	-21.3	175.4	-174	160.1	171.7	168.3	0	112.4	Y80 H81 D133 E137	Y80-K84 HydrophobicContact CE1-CD 4.24Å; Y80-K84 HydrophobicContact CE2-CD 4.02Å; Y80-K84 VanDerWaalsContact O-CB 3.26Å; Y80-K84 WeakPolarHBondContact O-CB 3.42Å; Y80-K84 PolarHBondContact O-N 3.47Å; Y80-K84 WeakPolarHBondContact OH-CD 3.38Å; Y80-K84 PolarHBondContact OH-NZ 3Å; H81-K84 PolarHBondContact O-N 3.14Å; K84-D133 IonicContact NZ-OD2 3.95Å; K84-D133 PolarHBondContact NZ-OD2 3.3Å; K84-E137 WeakPolarHBondContact CE-OE1 3.32Å; K84-E137 IonicContact NZ-OE1 3.06Å; K84-E137 PolarHBondContact NZ-OE1 3.34Å
85	M	97.6	Very high	98	Very high	71 Å²	71	22.3 Å²	22.3	35%	0.35	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	6.1	170.6	-65.2	177.1	-159.6	0	0	113.7	H81 L82 A83 R419 A422 K423 I426	H81-M85 HydrophobicContact CB-CE 4.41Å; H81-M85 WeakPolarHBondContact O-CB 3.39Å; H81-M85 VanDerWaalsContact O-CG 3.26Å; H81-M85 WeakPolarHBondContact O-CG 3.49Å; H81-M85 PolarHBondContact O-N 3.35Å; L82-M85 CarbonylContact O-C 3.51Å; L82-M85 PolarHBondContact O-N 3.39Å; A83-M85 PolarHBondContact O-N 3Å; M85-R419 HydrophobicContact CE-CG 3.88Å; M85-A422 HydrophobicContact CE-CB 4.22Å; M85-A422 HydrophobicContact SD-CB 4.15Å; M85-K423 HydrophobicContact CE-CG 3.87Å; M85-K423 HydrophobicContact SD-CG 3.85Å; M85-I426 HydrophobicContact CB-CD1 3.61Å; M85-I426 HydrophobicContact CG-CD1 4.4Å; M85-I426 HydrophobicContact SD-CD1 3.99Å
86	G	97.7	Very high	97.9	Very high	56 Å²	56	24.6 Å²	24.6	58%	0.577	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.9	3.9	174.2	0	0	0	0	0	115.8	L82 A83 T88	L82-G86 PolarHBondContact O-N 3.43Å; A83-G86 PolarHBondContact O-N 2.83Å; G86-T88 PolarHBondContact O-N 3.05Å
87	M	97.6	Very high	97.8	Very high	44 Å²	44	29.8 Å²	29.8	22%	0.217	16%	0.157	C	C	.	.			trans	-86.9	104.1	173	-177	172.3	-87.9	0	0	109.6	V66 L82 A83 V90 I425 I426	V66-M87 HydrophobicContact CG2-SD 3.53Å; V66-M87 VanDerWaalsContact CG2-SD 3.53Å; L82-M87 CarbonylContact C-O 3.39Å; L82-M87 HydrophobicContact CB-CB 4.43Å; L82-M87 HydrophobicContact CD2-SD 3.93Å; L82-M87 PolarHBondContact O-N 3.09Å; A83-M87 WeakPolarHBondContact CA-O 3.11Å; M87-V90 HydrophobicContact CG-CG2 3.74Å; M87-V90 HydrophobicContact SD-CG2 4.4Å; M87-I425 HydrophobicContact SD-CG2 4.5Å; M87-I426 HydrophobicContact CB-CD1 4.25Å; M87-I426 HydrophobicContact CB-CG1 4.5Å; M87-I426 HydrophobicContact CE-CG1 4Å; M87-I426 HydrophobicContact SD-CG1 4.06Å
88	T	94.1	Very high	97.7	Very high	70 Å²	70	30.9 Å²	30.9	43%	0.429	16%	0.163	S	C	.	.			trans	-108.3	-24.2	-169.4	63.5	0	0	0	0	114.4	G86 V90 R224	G86-T88 PolarHBondContact O-N 3.05Å; T88-V90 PolarHBondContact O-N 3.04Å; T88-R224 WeakPolarHBondContact CB-O 3.44Å; T88-R224 WeakPolarHBondContact CG2-O 3.19Å
89	N	98	Very high	97.6	Very high	67 Å²	67	31.2 Å²	31.2	36%	0.358	16%	0.164	S	C	.	.			trans	-76.3	59.7	175.6	-172.1	33.5	0	0	0	111.3	D65	D65-N89 HydrophobicContact CB-CB 4.35Å; D65-N89 PolarHBondContact N-ND2 3.11Å; D65-N89 PolarHBondContact N-O 3.07Å; D65-N89 PolarHBondContact OD1-ND2 3.1Å
90	V	98.8	Very high	97.4	Very high	3 Å²	3	31.2 Å²	31.2	2%	0.018	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	134	-173.7	-178.1	0	0	0	0	109	V66 V68 V79 L82 M87 T88 V226 T227	V66-V90 HydrophobicContact CB-CG1 4.28Å; V66-V90 HydrophobicContact CB-CG2 4.3Å; V66-V90 WeakPolarHBondContact O-CA 3.26Å; V68-V90 HydrophobicContact CG2-CG1 4.28Å; V79-V90 HydrophobicContact CG1-CG1 3.85Å; L82-V90 HydrophobicContact CB-CG2 4.46Å; L82-V90 HydrophobicContact CD1-CG1 4.11Å; L82-V90 HydrophobicContact CD1-CG2 4.33Å; M87-V90 HydrophobicContact CG-CG2 3.74Å; M87-V90 HydrophobicContact SD-CG2 4.4Å; T88-V90 PolarHBondContact O-N 3.04Å; V90-V226 HydrophobicContact CB-CG1 4.32Å; V90-V226 HydrophobicContact CB-CG2 4.24Å; V90-V226 HydrophobicContact CG1-CG1 4.38Å; V90-T227 PolarHBondContact O-N 3.31Å
91	A	98.8	Very high	97.2	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	132.2	171.3	0	0	0	0	0	110.2	P61 A64 V66 V67 V68 T227	P61-A91 HydrophobicContact CG-CB 4.32Å; A64-A91 HydrophobicContact CB-CB 4.25Å; V66-A91 PolarHBondContact O-N 2.71Å; V67-A91 CarbonylContact C-O 3.31Å; V67-A91 WeakPolarHBondContact CA-O 3.44Å; V67-A91 HydrophobicContact CG2-CB 4.46Å; V68-A91 PolarHBondContact N-O 2.89Å; A91-T227 CarbonylContact C-O 3.52Å; A91-T227 VanDerWaalsContact CA-O 3.3Å; A91-T227 WeakPolarHBondContact CA-O 3.46Å
92	L	98.9	Very high	96.9	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	125	162.3	-170.2	150.2	0	0	0	108.2	V68 V79 E94 L98 T227 V228 I229	V68-L92 HydrophobicContact CG1-CD1 4.47Å; V68-L92 CarbonylContact O-C 3.48Å; V68-L92 WeakPolarHBondContact O-CA 3.21Å; V79-L92 HydrophobicContact CG1-CB 4.13Å; V79-L92 HydrophobicContact CG1-CD1 4.03Å; V79-L92 HydrophobicContact CG2-CD1 3.85Å; L92-E94 HydrophobicContact CD2-CB 4.13Å; L92-L98 HydrophobicContact CD2-CD2 4.18Å; L92-T227 PolarHBondContact N-O 3.08Å; L92-V228 HydrophobicContact CB-CG2 4.2Å; L92-V228 HydrophobicContact CD2-CG1 4.18Å; L92-I229 PolarHBondContact O-N 2.76Å
93	L	98.8	Very high	96.7	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	123.9	173.3	-55	-176.5	0	0	0	109.7	V67 V68 G70 I229 C232 V234 V252 T254 I259	V67-L93 HydrophobicContact CG1-CD1 3.72Å; V67-L93 HydrophobicContact CG1-CG 3.88Å; V68-L93 PolarHBondContact O-N 2.71Å; G70-L93 PolarHBondContact N-O 3.27Å; L93-I229 HydrophobicContact CD2-CB 4.02Å; L93-I229 HydrophobicContact CD2-CD1 3.93Å; L93-I229 HydrophobicContact CD2-CG1 4.23Å; L93-C232 HydrophobicContact CD2-CB 4.49Å; L93-V234 HydrophobicContact CB-CG2 4.27Å; L93-V234 HydrophobicContact CD1-CG2 3.64Å; L93-V252 HydrophobicContact CD1-CG1 3.95Å; L93-T254 HydrophobicContact CD1-CG2 4.14Å; L93-I259 HydrophobicContact CD1-CD1 4.15Å; L93-I259 HydrophobicContact CD2-CD1 4.04Å
94	E	98.2	Very high	96.5	Very high	17 Å²	17	35 Å²	35	8%	0.079	19%	0.186	C	C	.	.			trans	-118.8	131.8	171.5	173.4	45.7	-109.8	0	0	108.6	G71 L92 D96 R97 I229 E230 N231 C232	G71-E94 VanDerWaalsContact CA-OE2 3.31Å; G71-E94 WeakPolarHBondContact CA-OE2 3.26Å; G71-E94 PolarHBondContact N-OE2 2.91Å; L92-E94 HydrophobicContact CD2-CB 4.13Å; E94-D96 PolarHBondContact OE1-N 2.85Å; E94-R97 WeakPolarHBondContact CG-O 3.4Å; E94-I229 PolarHBondContact N-O 3.49Å; E94-E230 HydrophobicContact CB-CG 4.47Å; E94-E230 CarbonylContact O-C 3.56Å; E94-N231 PolarHBondContact O-N 2.94Å; E94-C232 PolarHBondContact O-N 2.87Å
95	R	96.4	Very high	96.1	Very high	55 Å²	55	32.1 Å²	32.1	21%	0.208	17%	0.173	C	C	.	.	S	Bend	trans	-61.8	-46.1	-178.3	176.4	-179.1	73.2	-152.8	-2.2	111	N231 C232 P233 D340 F342	R95-N231 CarbonylContact O-C 3.57Å; R95-N231 VanDerWaalsContact O-CA 3.31Å; R95-N231 WeakPolarHBondContact O-CA 3.39Å; R95-C232 PolarHBondContact O-N 3.23Å; R95-P233 HydrophobicContact CG-CB 4.04Å; R95-D340 PolarHBondContact NE-O 3.04Å; R95-D340 PolarHBondContact NH1-O 3.04Å; R95-D340 VanDerWaalsContact NH1-O 3.16Å; R95-D340 PolarHBondContact NH2-O 3.26Å; R95-F342 PolarHBondContact NH2-O 2.98Å
96	D	95.6	Very high	95.8	Very high	47 Å²	47	30.1 Å²	30.1	25%	0.251	17%	0.165	S	C	.	.	S	Bend	trans	-111.8	-112.1	-177.2	-60.8	-68.7	0	0	0	108.7	E94 A100 E230 N231 A343	E94-D96 PolarHBondContact OE1-N 2.85Å; D96-A100 HydrophobicContact CB-CB 3.94Å; D96-E230 WeakPolarHBondContact O-CB 3.49Å; D96-N231 PolarHBondContact O-N 3.46Å; D96-N231 PolarHBondContact O-OD1 3.04Å; D96-A343 HydrophobicContact CB-CB 4.13Å; D96-A343 WeakPolarHBondContact OD2-CB 3.29Å
97	R	96.3	Very high	95.2	Very high	110 Å²	110	27.8 Å²	27.8	42%	0.415	14%	0.141	S	C	.	.	S	Bend	trans	-121.3	161	174.2	-59.3	-180	63.5	-170.3	0.1	111.1	E94 T99 A100 E230 F344	E94-R97 WeakPolarHBondContact CG-O 3.4Å; R97-T99 PolarHBondContact O-N 3.15Å; R97-A100 WeakPolarHBondContact O-CB 3.45Å; R97-A100 PolarHBondContact O-N 3.14Å; R97-A100 VanDerWaalsContact O-N 3.1Å; R97-E230 WeakPolarHBondContact CA-OE1 3.37Å; R97-E230 VanDerWaalsContact CB-OE1 3.22Å; R97-E230 WeakPolarHBondContact CB-OE1 3.19Å; R97-F344 HydrophobicContact CB-CE2 3.85Å; R97-F344 HydrophobicContact CB-CZ 3.98Å
98	L	96.6	Very high	94.9	Very high	25 Å²	25	25.8 Å²	25.8	13%	0.131	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.7	137.2	177.2	-67.6	-177.8	0	0	0	110.7	L92 A100 S218 V228 E230	L92-L98 HydrophobicContact CD2-CD2 4.18Å; L98-A100 VanDerWaalsContact C-N 3.32Å; L98-A100 PolarHBondContact O-N 2.83Å; L98-S218 WeakPolarHBondContact CD1-OG 3.39Å; L98-V228 HydrophobicContact CD1-CG1 4.45Å; L98-V228 HydrophobicContact CD2-CG1 4.03Å; L98-E230 HydrophobicContact CG-CG 4.18Å; L98-E230 PolarHBondContact N-OE1 2.82Å
99	T	96.5	Very high	95	Very high	6 Å²	6	23.1 Å²	23.1	4%	0.037	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.5	0.6	-177.3	74.5	0	0	0	0	118.2	G71 R97 G101 T103 W104 C214	G71-T99 PolarHBondContact O-N 3.11Å; R97-T99 PolarHBondContact O-N 3.15Å; T99-G101 PolarHBondContact O-N 2.82Å; T99-T103 HydrophobicContact CG2-CG2 3.7Å; T99-W104 PolarHBondContact O-N 3.41Å; T99-C214 HydrophobicContact CG2-CB 3.44Å; T99-C214 VanDerWaalsContact CG2-CB 3.44Å
100	A	94.7	Very high	94.9	Very high	1 Å²	1	20 Å²	20	1%	0.008	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53	-26.4	-171.4	0	0	0	0	0	117.6	D96 R97 L98 A343 F344	D96-A100 HydrophobicContact CB-CB 3.94Å; R97-A100 WeakPolarHBondContact O-CB 3.45Å; R97-A100 PolarHBondContact O-N 3.14Å; R97-A100 VanDerWaalsContact O-N 3.1Å; L98-A100 VanDerWaalsContact C-N 3.32Å; L98-A100 PolarHBondContact O-N 2.83Å; A100-A343 HydrophobicContact CB-CB 4.21Å; A100-F344 HydrophobicContact CB-CD2 3.9Å; A100-F344 HydrophobicContact CB-CE1 4.41Å; A100-F344 HydrophobicContact CB-CE2 3.43Å; A100-F344 VanDerWaalsContact CB-CE2 3.43Å; A100-F344 HydrophobicContact CB-CZ 3.73Å; A100-F344 PolarHBondContact O-N 2.7Å
101	G	93.4	Very high	94.7	Very high	13 Å²	13	19.9 Å²	19.9	13%	0.134	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-141.5	171.9	0	0	0	0	0	113.3	T99 T103 W104	T99-G101 PolarHBondContact O-N 2.82Å; G101-T103 PolarHBondContact O-N 2.83Å; G101-W104 PolarHBondContact O-NE1 2.9Å
102	T	93.4	Very high	94.6	Very high	19 Å²	19	20.8 Å²	20.8	12%	0.117	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-19	-177.2	-44.8	0	0	0	0	115.3	H105 P380 E381	T102-H105 PolarHBondContact O-ND1 2.97Å; T102-P380 WeakPolarHBondContact CB-O 3.27Å; T102-P380 WeakPolarHBondContact CG2-O 3.23Å; T102-P380 PolarHBondContact OG1-O 2.87Å; T102-E381 WeakPolarHBondContact CG2-OE2 3.39Å
103	T	95	Very high	94.4	Very high	13 Å²	13	20.8 Å²	20.8	8%	0.08	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-41.6	-165.3	-64.4	0	0	0	0	113.3	S73 T99 G101 H105 T106 P210 C214 M411	S73-T103 PolarHBondContact N-OG1 3.04Å; T99-T103 HydrophobicContact CG2-CG2 3.7Å; G101-T103 PolarHBondContact O-N 2.83Å; T103-H105 VanDerWaalsContact C-N 3.28Å; T103-H105 PolarHBondContact O-N 3.27Å; T103-T106 VanDerWaalsContact O-CG2 3.28Å; T103-T106 WeakPolarHBondContact O-CG2 3.48Å; T103-P210 HydrophobicContact CG2-CB 4.4Å; T103-P210 WeakPolarHBondContact O-CB 3.36Å; T103-C214 VanDerWaalsContact CG2-SG 3.54Å; T103-M411 HydrophobicContact CG2-SD 4.01Å
104	W	92.3	Very high	94.2	Very high	42 Å²	42	23 Å²	23	16%	0.159	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-27.4	-174.3	72.9	-87.9	0	0	0	113.5	V40 Y42 T99 G101 F344 L346	V40-W104 HydrophobicContact CB-CH2 4.18Å; V40-W104 HydrophobicContact CG1-CH2 4.34Å; V40-W104 HydrophobicContact CG2-CH2 3.95Å; Y42-W104 HydrophobicContact CD2-CE3 4.43Å; Y42-W104 HydrophobicContact CE2-CE3 4.14Å; T99-W104 PolarHBondContact O-N 3.41Å; G101-W104 PolarHBondContact O-NE1 2.9Å; W104-F344 HydrophobicContact CB-CE1 4.37Å; W104-F344 AromaticContact CD1-CD1 3.84Å; W104-F344 HydrophobicContact CD2-CD1 4.29Å; W104-F344 AromaticContact CG-CD1 3.97Å; W104-F344 HydrophobicContact CG-CD1 3.97Å; W104-F344 HydrophobicContact CG-CE1 4.27Å; W104-L346 HydrophobicContact CH2-CD1 3.89Å; W104-L346 HydrophobicContact CH2-CD2 4.09Å; W104-L346 HydrophobicContact CH2-CG 3.88Å; W104-L346 HydrophobicContact CZ2-CD1 4.39Å; W104-L346 HydrophobicContact CZ2-CD2 3.84Å; W104-L346 HydrophobicContact CZ2-CG 3.87Å
105	H	89.9	Confident	93.9	Very high	14 Å²	14	25 Å²	25	7%	0.065	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	4.4	-173.8	66.9	58	0	0	0	114.5	T102 T103 Y292 L346 V377	T102-H105 PolarHBondContact O-ND1 2.97Å; T103-H105 VanDerWaalsContact C-N 3.28Å; T103-H105 PolarHBondContact O-N 3.27Å; H105-Y292 WeakPolarHBondContact O-CE1 3.12Å; H105-Y292 PolarHBondContact O-OH 3.17Å; H105-L346 HydrophobicContact CB-CD2 4.15Å; H105-V377 HydrophobicContact CB-CG1 3.9Å
106	T	90	Very high	93.8	Very high	29 Å²	29	23.8 Å²	23.8	18%	0.178	12%	0.123	C	C	.	.	S	Bend	trans	-73.7	156.1	-179.6	-171.4	0	0	0	0	113.1	T103 G108 P210 M411	T103-T106 VanDerWaalsContact O-CG2 3.28Å; T103-T106 WeakPolarHBondContact O-CG2 3.48Å; T106-G108 PolarHBondContact O-N 2.82Å; T106-P210 HydrophobicContact CG2-CB 3.77Å; T106-P210 HydrophobicContact CG2-CG 3.47Å; T106-P210 VanDerWaalsContact CG2-CG 3.47Å; T106-M411 HydrophobicContact CG2-CG 3.45Å; T106-M411 VanDerWaalsContact CG2-CG 3.45Å
107	A	86.6	Confident	93.7	Very high	8 Å²	8	22.2 Å²	22.2	7%	0.066	12%	0.115	C	C	.	.			trans	-69.8	-13.6	-179.4	0	0	0	0	0	114.4	L109 Y315 R317	A107-L109 HydrophobicContact CB-CD1 3.86Å; A107-L109 HydrophobicContact CB-CG 4.27Å; A107-L109 PolarHBondContact O-N 3.06Å; A107-L109 VanDerWaalsContact O-N 3.14Å; A107-Y315 HydrophobicContact CB-CE2 4.16Å; A107-R317 VanDerWaalsContact O-CD 3.32Å; A107-R317 WeakPolarHBondContact O-CD 3.43Å; A107-R317 PolarHBondContact O-NE 3.37Å; A107-R317 PolarHBondContact O-NH1 3.46Å
108	G	91.3	Very high	93.7	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.01	10%	0.098	C	C	.	.			trans	66.6	14.7	172.7	0	0	0	0	0	115.9	T106 T207 M208	T106-G108 PolarHBondContact O-N 2.82Å; G108-T207 CarbonylContact O-C 3.58Å; G108-T207 WeakPolarHBondContact O-CA 3.37Å; G108-M208 PolarHBondContact O-N 3.44Å
109	L	94.9	Very high	93.7	Very high	15 Å²	15	16.9 Å²	16.9	8%	0.079	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	138.2	-177.5	-66.9	151.8	0	0	0	112.3	A107 W111 T207 N306 Y315 R317	A107-L109 HydrophobicContact CB-CD1 3.86Å; A107-L109 HydrophobicContact CB-CG 4.27Å; A107-L109 PolarHBondContact O-N 3.06Å; A107-L109 VanDerWaalsContact O-N 3.14Å; L109-W111 HydrophobicContact CB-CZ2 4.23Å; L109-W111 VanDerWaalsContact CB-NE1 3.3Å; L109-W111 HydrophobicContact CD1-CZ2 4.08Å; L109-W111 HydrophobicContact CD2-CZ2 3.78Å; L109-W111 HydrophobicContact CG-CZ2 4.27Å; L109-T207 HydrophobicContact CD2-CG2 3.61Å; L109-T207 HydrophobicContact CG-CG2 4.15Å; L109-N306 HydrophobicContact CD2-CB 3.5Å; L109-N306 VanDerWaalsContact CD2-CG 3.5Å; L109-Y315 HydrophobicContact CD1-CD2 4Å; L109-Y315 HydrophobicContact CD1-CE2 4.46Å; L109-R317 HydrophobicContact CD1-CB 4.4Å; L109-R317 HydrophobicContact CD2-CB 4.21Å; L109-R317 HydrophobicContact CD2-CG 4.1Å; L109-R317 HydrophobicContact CG-CG 4.41Å
110	L	95.9	Very high	93.7	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	129.2	171.8	-171.7	157.2	0	0	0	110.9	Q112 T126 R127 I130 W144 D205 G206 M208	L110-Q112 HydrophobicContact CD2-CG 3.65Å; L110-T126 HydrophobicContact CD1-CG2 3.93Å; L110-R127 HydrophobicContact CD1-CB 4.12Å; L110-R127 HydrophobicContact CD2-CB 4.26Å; L110-I130 HydrophobicContact CD1-CD1 3.56Å; L110-W144 HydrophobicContact CB-CH2 4.17Å; L110-W144 HydrophobicContact CB-CZ3 3.98Å; L110-D205 WeakPolarHBondContact O-CB 3.15Å; L110-G206 PolarHBondContact N-O 2.77Å; L110-G206 PolarHBondContact O-N 2.9Å; L110-M208 HydrophobicContact CB-CE 4.03Å; L110-M208 HydrophobicContact CD1-CE 4.15Å
111	W	95.6	Very high	93.8	Very high	2 Å²	2	19.2 Å²	19.2	1%	0.008	11%	0.105	C	C	.	.			trans	-127.8	113.2	-178.1	-48.9	82.9	0	0	0	109.4	L109 L123 F151 D205 N306 R308 M412	L109-W111 HydrophobicContact CB-CZ2 4.23Å; L109-W111 VanDerWaalsContact CB-NE1 3.3Å; L109-W111 HydrophobicContact CD1-CZ2 4.08Å; L109-W111 HydrophobicContact CD2-CZ2 3.78Å; L109-W111 HydrophobicContact CG-CZ2 4.27Å; W111-L123 VanDerWaalsContact O-CD1 3.29Å; W111-L123 WeakPolarHBondContact O-CD1 3.48Å; W111-L123 WeakPolarHBondContact O-CD2 3.01Å; W111-F151 HydrophobicContact CB-CZ 4.1Å; W111-F151 HydrophobicContact CD2-CZ 4.48Å; W111-F151 HydrophobicContact CE3-CD2 4.26Å; W111-F151 AromaticContact CE3-CE2 3.6Å; W111-F151 HydrophobicContact CE3-CE2 3.6Å; W111-F151 AromaticContact CE3-CZ 3.86Å; W111-F151 HydrophobicContact CE3-CZ 3.86Å; W111-F151 HydrophobicContact CZ3-CD2 4.39Å; W111-F151 HydrophobicContact CZ3-CE2 4.15Å; W111-D205 VanDerWaalsContact CA-OD2 3.29Å; W111-D205 WeakPolarHBondContact CA-OD2 3.28Å; W111-N306 HydrophobicContact CH2-CB 3.84Å; W111-N306 WeakPolarHBondContact CH2-O 3.29Å; W111-N306 HydrophobicContact CZ2-CB 4.28Å; W111-R308 VanDerWaalsContact CD2-NH1 3.31Å; W111-R308 HydrophobicContact CH2-CB 3.92Å; W111-R308 HydrophobicContact CZ2-CB 4.21Å; W111-R308 HydrophobicContact CZ3-CB 4.32Å; W111-M412 HydrophobicContact CB-SD 4.43Å
112	Q	95.6	Very high	94	Very high	18 Å²	18	18.8 Å²	18.8	8%	0.084	10%	0.1	C	C	.	.			trans	-78.1	-27	-169.5	-72.3	167	104.1	0	0	114.4	L110 L123 I174 K204 D205	L110-Q112 HydrophobicContact CD2-CG 3.65Å; Q112-L123 WeakPolarHBondContact O-CD1 3.41Å; Q112-I174 HydrophobicContact CB-CD1 3.99Å; Q112-I174 HydrophobicContact CB-CG2 4.32Å; Q112-K204 VanDerWaalsContact NE2-C 3.29Å; Q112-K204 PolarHBondContact NE2-O 3.4Å; Q112-D205 VanDerWaalsContact CB-OD1 3.29Å; Q112-D205 WeakPolarHBondContact CB-OD1 3.22Å; Q112-D205 WeakPolarHBondContact CG-OD1 3.39Å; Q112-D205 PolarHBondContact N-OD1 3.41Å; Q112-D205 PolarHBondContact N-OD2 3.26Å; Q112-D205 PolarHBondContact NE2-OD1 3.01Å
113	L	95.4	Very high	94.2	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.005	9%	0.094	C	C	.	.			trans	-92.2	128.9	-179.3	-67.6	179.5	0	0	0	112.4	L165 I174 L200 V202	L113-L165 HydrophobicContact CB-CB 4.42Å; L113-L165 HydrophobicContact CD1-CB 4.44Å; L113-I174 HydrophobicContact CD1-CG2 4.47Å; L113-I174 HydrophobicContact CD2-CB 4.03Å; L113-I174 HydrophobicContact CD2-CD1 3.84Å; L113-I174 HydrophobicContact CD2-CG2 3.82Å; L113-I174 HydrophobicContact CG-CG2 3.97Å; L113-L200 HydrophobicContact CD1-CD1 4.39Å; L113-L200 HydrophobicContact CD1-CD2 4.01Å; L113-V202 HydrophobicContact CD1-CG2 3.81Å; L113-V202 HydrophobicContact CG-CG2 4.26Å
114	R	93.6	Very high	94.3	Very high	47 Å²	47	18.9 Å²	18.9	18%	0.177	10%	0.104	C	C	.	.			trans	-142	156.7	175.8	-68.8	-60.3	-178.5	-173.7	7	110.5	S116 E119 L123 L165 M412	R114-S116 PolarHBondContact O-N 2.91Å; R114-E119 HydrophobicContact CB-CB 3.86Å; R114-E119 HydrophobicContact CG-CB 4.11Å; R114-L123 HydrophobicContact CB-CD1 4.37Å; R114-L123 HydrophobicContact CG-CD1 3.5Å; R114-L123 VanDerWaalsContact CG-CD1 3.5Å; R114-L165 VanDerWaalsContact C-CD2 3.41Å; R114-M412 PolarHBondContact NH2-SD 2.83Å
115	P	92.4	Very high	94.6	Very high	60 Å²	60	18.6 Å²	18.6	39%	0.39	10%	0.104	S	C	.	.	S	Bend	trans	-76	43.8	174.2	33.8	-36.3	0	0	0	111.9	L165 V468	P115-L165 HydrophobicContact CB-CD2 4.05Å; P115-V468 HydrophobicContact CG-CG2 4.32Å
116	S	94.2	Very high	95	Very high	28 Å²	28	18 Å²	18	20%	0.196	10%	0.101	C	C	.	.			trans	-155	128.7	179.5	168.1	0	0	0	0	109	R114 E119 V120	R114-S116 PolarHBondContact O-N 2.91Å; S116-E119 WeakPolarHBondContact CB-OE2 3.42Å; S116-E119 PolarHBondContact O-N 3.35Å; S116-E119 PolarHBondContact OG-N 2.6Å; S116-V120 WeakPolarHBondContact O-CG2 3.49Å; S116-V120 PolarHBondContact O-N 3.44Å; S116-V120 VanDerWaalsContact O-N 3.17Å
117	D	94.3	Very high	95.3	Very high	15 Å²	15	17.5 Å²	17.5	8%	0.08	10%	0.096	C	C	.	.	H	α-helix	trans	-68.7	-40.1	179.3	69.7	-51.1	0	0	0	111.4	V120 E121 Y172 R782 L836 H848 R850	D117-V120 PolarHBondContact O-N 2.64Å; D117-E121 PolarHBondContact O-N 2.94Å; D117-E121 VanDerWaalsContact O-N 3.16Å; D117-Y172 HydrophobicContact CB-CE2 3.95Å; D117-Y172 WeakPolarHBondContact CB-OH 3.33Å; D117-R782 IonicContact OD2-NH1 2.82Å; D117-L836 HydrophobicContact CB-CD2 4.06Å; D117-H848 IonicContact OD2-CE1 3.68Å; D117-H848 IonicContact OD2-NE2 3.09Å; D117-R850 IonicContact OD1-NH1 2.98Å; D117-R850 PolarHBondContact OD1-NH1 2.78Å; D117-R850 IonicContact OD2-CZ 4Å; D117-R850 IonicContact OD2-NH1 3.76Å; D117-R850 PolarHBondContact OD2-NH1 2.91Å; D117-R850 IonicContact OD2-NH2 2.72Å; D117-R850 PolarHBondContact OD2-NH2 2.61Å
118	V	95.6	Very high	95.8	Very high	10 Å²	10	21.2 Å²	21.2	6%	0.061	12%	0.115	C	C	.	.	H	α-helix	trans	-62.9	-44.1	174.7	178.4	0	0	0	0	111.1	V120 E121 L122 K432 D433 M434	V118-V120 PolarHBondContact O-N 3.01Å; V118-E121 PolarHBondContact O-N 2.92Å; V118-L122 HydrophobicContact CG1-CD1 4Å; V118-L122 HydrophobicContact CG1-CG 4.27Å; V118-L122 VanDerWaalsContact O-CG 3.29Å; V118-L122 WeakPolarHBondContact O-CG 3.19Å; V118-L122 PolarHBondContact O-N 2.89Å; V118-K432 HydrophobicContact CG1-CB 4.46Å; V118-D433 WeakPolarHBondContact CG1-O 3.47Å; V118-D433 HydrophobicContact CG2-CB 4.27Å; V118-D433 WeakPolarHBondContact CG2-O 3.34Å; V118-M434 HydrophobicContact CG1-SD 4.07Å
119	E	96.8	Very high	96	Very high	13 Å²	13	21.2 Å²	21.2	6%	0.061	12%	0.115	C	C	.	.	H	α-helix	trans	-62.3	-44.3	178.5	-70.9	-174.7	149.2	0	0	111.8	R114 S116 E121 L122 L123 K388 Y437	R114-E119 HydrophobicContact CB-CB 3.86Å; R114-E119 HydrophobicContact CG-CB 4.11Å; S116-E119 WeakPolarHBondContact CB-OE2 3.42Å; S116-E119 PolarHBondContact O-N 3.35Å; S116-E119 PolarHBondContact OG-N 2.6Å; E119-E121 VanDerWaalsContact C-N 3.26Å; E119-E121 PolarHBondContact O-N 3.18Å; E119-L122 PolarHBondContact O-N 2.8Å; E119-L122 VanDerWaalsContact O-N 3.14Å; E119-L123 HydrophobicContact CB-CD1 4.3Å; E119-L123 VanDerWaalsContact O-CB 3.31Å; E119-L123 WeakPolarHBondContact O-CB 3.16Å; E119-L123 VanDerWaalsContact O-CD1 3.25Å; E119-L123 WeakPolarHBondContact O-CD1 3.48Å; E119-L123 WeakPolarHBondContact O-CG 3.26Å; E119-L123 PolarHBondContact O-N 2.81Å; E119-K388 VanDerWaalsContact CD-NZ 3.3Å; E119-K388 IonicContact OE1-NZ 2.67Å; E119-K388 PolarHBondContact OE1-NZ 3.41Å; E119-K388 IonicContact OE2-NZ 2.75Å; E119-K388 PolarHBondContact OE2-NZ 2.92Å; E119-Y437 HydrophobicContact CG-CE2 4.44Å; E119-Y437 VanDerWaalsContact CG-OH 3.3Å; E119-Y437 WeakPolarHBondContact CG-OH 3.36Å; E119-Y437 PolarHBondContact OE1-OH 3.11Å
120	V	97.1	Very high	96.1	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.006	11%	0.111	C	C	.	.	H	α-helix	trans	-54.1	-43.2	174.7	162.2	0	0	0	0	111.5	S116 D117 V118 A124 L168 Y172 I174	S116-V120 WeakPolarHBondContact O-CG2 3.49Å; S116-V120 PolarHBondContact O-N 3.44Å; S116-V120 VanDerWaalsContact O-N 3.17Å; D117-V120 PolarHBondContact O-N 2.64Å; V118-V120 PolarHBondContact O-N 3.01Å; V120-A124 WeakPolarHBondContact O-CB 3.29Å; V120-A124 PolarHBondContact O-N 2.73Å; V120-L168 HydrophobicContact CG2-CD2 4.26Å; V120-Y172 HydrophobicContact CG1-CD1 3.97Å; V120-Y172 HydrophobicContact CG1-CD2 3.79Å; V120-Y172 HydrophobicContact CG1-CE2 4.48Å; V120-Y172 HydrophobicContact CG1-CG 3.48Å; V120-Y172 VanDerWaalsContact CG1-CG 3.48Å; V120-I174 HydrophobicContact CG1-CD1 3.56Å
121	E	96.8	Very high	96	Very high	55 Å²	55	22.3 Å²	22.3	26%	0.257	12%	0.124	S	C	.	.	H	α-helix	trans	-70.2	-37.6	177	-67.6	-174.4	58.3	0	0	113.5	D117 V118 E119 H125 Y172 K432	D117-E121 PolarHBondContact O-N 2.94Å; D117-E121 VanDerWaalsContact O-N 3.16Å; V118-E121 PolarHBondContact O-N 2.92Å; E119-E121 VanDerWaalsContact C-N 3.26Å; E119-E121 PolarHBondContact O-N 3.18Å; E121-H125 PolarHBondContact O-N 2.95Å; E121-H125 VanDerWaalsContact O-N 3.16Å; E121-Y172 HydrophobicContact CG-CD1 3.92Å; E121-Y172 HydrophobicContact CG-CE1 3.31Å; E121-Y172 VanDerWaalsContact OE2-CE1 3.26Å; E121-Y172 WeakPolarHBondContact OE2-CE1 3.44Å; E121-Y172 PolarHBondContact OE2-OH 3.18Å; E121-K432 VanDerWaalsContact OE1-CE 3.32Å; E121-K432 WeakPolarHBondContact OE1-CE 3.45Å; E121-K432 IonicContact OE1-NZ 3.3Å; E121-K432 PolarHBondContact OE1-NZ 3.02Å
122	L	98.1	Very high	96	Very high	3 Å²	3	27.1 Å²	27.1	2%	0.016	15%	0.145	C	C	.	.	H	α-helix	trans	-65	-42.8	174.6	-66.2	171	0	0	0	111.2	V118 E119 H125 T126 G416 E420 M434 Y437	V118-L122 HydrophobicContact CG1-CD1 4Å; V118-L122 HydrophobicContact CG1-CG 4.27Å; V118-L122 VanDerWaalsContact O-CG 3.29Å; V118-L122 WeakPolarHBondContact O-CG 3.19Å; V118-L122 PolarHBondContact O-N 2.89Å; E119-L122 PolarHBondContact O-N 2.8Å; E119-L122 VanDerWaalsContact O-N 3.14Å; L122-H125 PolarHBondContact O-N 2.68Å; L122-T126 PolarHBondContact O-N 2.97Å; L122-T126 PolarHBondContact O-OG1 3.1Å; L122-G416 VanDerWaalsContact CD2-C 3.46Å; L122-G416 WeakPolarHBondContact O-CA 3.37Å; L122-E420 HydrophobicContact CD2-CG 3.77Å; L122-M434 HydrophobicContact CD1-CE 4Å; L122-M434 HydrophobicContact CD1-SD 4.14Å; L122-M434 HydrophobicContact CD2-CE 4.3Å; L122-M434 HydrophobicContact CD2-SD 4.09Å; L122-Y437 HydrophobicContact CD1-CE1 4.33Å
123	L	97.8	Very high	96	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-66.2	-43	179.1	-70	160.5	0	0	0	111.5	W111 Q112 R114 E119 H125 T126 R127 M412 L413	W111-L123 VanDerWaalsContact O-CD1 3.29Å; W111-L123 WeakPolarHBondContact O-CD1 3.48Å; W111-L123 WeakPolarHBondContact O-CD2 3.01Å; Q112-L123 WeakPolarHBondContact O-CD1 3.41Å; R114-L123 HydrophobicContact CB-CD1 4.37Å; R114-L123 HydrophobicContact CG-CD1 3.5Å; R114-L123 VanDerWaalsContact CG-CD1 3.5Å; E119-L123 HydrophobicContact CB-CD1 4.3Å; E119-L123 VanDerWaalsContact O-CB 3.31Å; E119-L123 WeakPolarHBondContact O-CB 3.16Å; E119-L123 VanDerWaalsContact O-CD1 3.25Å; E119-L123 WeakPolarHBondContact O-CD1 3.48Å; E119-L123 WeakPolarHBondContact O-CG 3.26Å; E119-L123 PolarHBondContact O-N 2.81Å; L123-H125 PolarHBondContact O-N 2.81Å; L123-T126 PolarHBondContact O-N 3.18Å; L123-R127 WeakPolarHBondContact O-CB 3.46Å; L123-R127 PolarHBondContact O-N 3.36Å; L123-M412 HydrophobicContact CD2-CG 3.45Å; L123-M412 VanDerWaalsContact CD2-CG 3.45Å; L123-M412 HydrophobicContact CD2-SD 4.12Å; L123-L413 HydrophobicContact CD2-CD2 3.92Å; L123-L413 HydrophobicContact CG-CD2 4.04Å
124	A	96.9	Very high	96	Very high	35 Å²	35	27.9 Å²	27.9	29%	0.289	15%	0.15	S	C	.	.	H	α-helix	trans	-59	-37	172.5	0	0	0	0	0	111.8	V120 N128	V120-A124 WeakPolarHBondContact O-CB 3.29Å; V120-A124 PolarHBondContact O-N 2.73Å; A124-N128 PolarHBondContact O-N 2.86Å; A124-N128 VanDerWaalsContact O-N 3.17Å; A124-N128 PolarHBondContact O-ND2 3.07Å
125	H	97.6	Very high	96	Very high	36 Å²	36	29.7 Å²	29.7	17%	0.167	16%	0.16	C	C	.	.	H	α-helix	trans	-68.4	-48.6	173.6	-170.5	52.1	0	0	0	112.5	H81 E121 L122 L123 R127 N128 V129 R419	H81-H125 AromaticContact CE1-NE2 3.21Å; H81-H125 PolarHBondContact CE1-NE2 2.91Å; H81-H125 AromaticContact NE2-NE2 3.82Å; E121-H125 PolarHBondContact O-N 2.95Å; E121-H125 VanDerWaalsContact O-N 3.16Å; L122-H125 PolarHBondContact O-N 2.68Å; L123-H125 PolarHBondContact O-N 2.81Å; H125-R127 VanDerWaalsContact C-N 3.28Å; H125-R127 PolarHBondContact O-N 2.92Å; H125-N128 PolarHBondContact O-N 3.39Å; H125-V129 WeakPolarHBondContact NE2-CG2 3.24Å; H125-V129 WeakPolarHBondContact O-CG2 3.44Å; H125-V129 PolarHBondContact O-N 2.88Å; H125-R419 VanDerWaalsContact CD2-CD 3.43Å; H125-R419 WeakPolarHBondContact CD2-CD 3.31Å; H125-R419 WeakPolarHBondContact NE2-CD 3.42Å
126	T	97.9	Very high	96.1	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-55.8	-45.2	175.4	-53.5	0	0	0	0	111.2	L110 L122 L123 N128 V129 I130 M412 G415 G416	L110-T126 HydrophobicContact CD1-CG2 3.93Å; L122-T126 PolarHBondContact O-N 2.97Å; L122-T126 PolarHBondContact O-OG1 3.1Å; L123-T126 PolarHBondContact O-N 3.18Å; T126-N128 VanDerWaalsContact C-N 3.31Å; T126-N128 PolarHBondContact O-N 2.85Å; T126-V129 PolarHBondContact O-N 3.25Å; T126-I130 HydrophobicContact CG2-CG2 4.23Å; T126-I130 WeakPolarHBondContact O-CG1 3.26Å; T126-I130 WeakPolarHBondContact O-CG2 3.26Å; T126-I130 PolarHBondContact O-N 2.93Å; T126-M412 WeakPolarHBondContact CB-O 3.49Å; T126-M412 WeakPolarHBondContact CG2-O 3.29Å; T126-M412 PolarHBondContact OG1-O 3.2Å; T126-M412 VanDerWaalsContact OG1-O 3.09Å; T126-G415 WeakPolarHBondContact OG1-CA 3.21Å; T126-G415 PolarHBondContact OG1-N 2.98Å; T126-G416 PolarHBondContact OG1-N 2.9Å
127	R	96.5	Very high	96.1	Very high	19 Å²	19	35 Å²	35	7%	0.072	18%	0.177	C	C	.	.	H	α-helix	trans	-56.1	-42.8	179	-178.8	71.8	-162	71	4.6	111.9	L110 L123 H125 I130 S131 W144 K204	L110-R127 HydrophobicContact CD1-CB 4.12Å; L110-R127 HydrophobicContact CD2-CB 4.26Å; L123-R127 WeakPolarHBondContact O-CB 3.46Å; L123-R127 PolarHBondContact O-N 3.36Å; H125-R127 VanDerWaalsContact C-N 3.28Å; H125-R127 PolarHBondContact O-N 2.92Å; R127-I130 WeakPolarHBondContact O-CG1 3.2Å; R127-S131 PolarHBondContact NH1-OG 3.37Å; R127-S131 PolarHBondContact O-N 3.03Å; R127-W144 VanDerWaalsContact NH2-NE1 3.13Å; R127-K204 PolarHBondContact NE-O 3.36Å
128	N	96.6	Very high	96	Very high	87 Å²	87	36.2 Å²	36.2	47%	0.465	18%	0.184	S	C	.	.	H	α-helix	trans	-70.1	-44	176.3	-71.3	-26	0	0	0	112.4	A124 H125 T126 I130 K132 D133	A124-N128 PolarHBondContact O-N 2.86Å; A124-N128 VanDerWaalsContact O-N 3.17Å; A124-N128 PolarHBondContact O-ND2 3.07Å; H125-N128 PolarHBondContact O-N 3.39Å; T126-N128 VanDerWaalsContact C-N 3.31Å; T126-N128 PolarHBondContact O-N 2.85Å; N128-I130 VanDerWaalsContact C-N 3.32Å; N128-I130 PolarHBondContact O-N 3.15Å; N128-K132 WeakPolarHBondContact O-CB 3.48Å; N128-K132 PolarHBondContact O-N 3.21Å; N128-K132 VanDerWaalsContact O-N 3.14Å; N128-D133 PolarHBondContact O-N 2.87Å
129	V	96.8	Very high	95.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.214	C	C	.	.	I	π-helix	trans	-57.2	-46.8	179.7	170.5	0	0	0	0	111.1	Y80 H125 T126 L134 L217	Y80-V129 HydrophobicContact CE1-CG1 3.86Å; Y80-V129 HydrophobicContact CE1-CG2 4.45Å; H125-V129 WeakPolarHBondContact NE2-CG2 3.24Å; H125-V129 WeakPolarHBondContact O-CG2 3.44Å; H125-V129 PolarHBondContact O-N 2.88Å; T126-V129 PolarHBondContact O-N 3.25Å; V129-L134 HydrophobicContact CG1-CD1 3.85Å; V129-L134 HydrophobicContact CG1-CG 3.88Å; V129-L134 WeakPolarHBondContact O-CB 3.22Å; V129-L134 WeakPolarHBondContact O-CG 3.43Å; V129-L134 PolarHBondContact O-N 3.22Å; V129-L134 VanDerWaalsContact O-N 3.12Å; V129-L217 HydrophobicContact CG1-CD2 4.45Å
130	I	96.3	Very high	95.6	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.224	C	C	.	.	I	π-helix	trans	-76.8	-35.2	-172	67.3	-173.5	0	0	0	114.3	L110 T126 R127 N128 T142 W144 M208 T213	L110-I130 HydrophobicContact CD1-CD1 3.56Å; T126-I130 HydrophobicContact CG2-CG2 4.23Å; T126-I130 WeakPolarHBondContact O-CG1 3.26Å; T126-I130 WeakPolarHBondContact O-CG2 3.26Å; T126-I130 PolarHBondContact O-N 2.93Å; R127-I130 WeakPolarHBondContact O-CG1 3.2Å; N128-I130 VanDerWaalsContact C-N 3.32Å; N128-I130 PolarHBondContact O-N 3.15Å; I130-T142 WeakPolarHBondContact O-CB 3.42Å; I130-T142 WeakPolarHBondContact O-CG2 3.24Å; I130-T142 PolarHBondContact O-OG1 2.8Å; I130-W144 HydrophobicContact CD1-CD2 4.19Å; I130-W144 HydrophobicContact CD1-CE3 3.34Å; I130-W144 HydrophobicContact CD1-CH2 4.41Å; I130-W144 HydrophobicContact CD1-CZ3 3.47Å; I130-W144 VanDerWaalsContact CD1-CZ3 3.47Å; I130-W144 HydrophobicContact CG1-CD2 4.35Å; I130-W144 HydrophobicContact CG1-CE3 3.94Å; I130-W144 HydrophobicContact CG1-CZ3 4.44Å; I130-M208 HydrophobicContact CD1-CB 4.41Å; I130-M208 HydrophobicContact CD1-CE 3.5Å; I130-M208 VanDerWaalsContact CD1-CE 3.5Å; I130-M208 HydrophobicContact CD1-SD 4Å; I130-M208 HydrophobicContact CG2-SD 3.91Å; I130-T213 HydrophobicContact CG2-CG2 4.2Å
131	S	94.8	Very high	95.1	Very high	38 Å²	38	45.9 Å²	45.9	27%	0.266	25%	0.248	S	C	.	.	I	π-helix	trans	-106.1	8	-177.3	88.8	0	0	0	0	114.7	R127	R127-S131 PolarHBondContact NH1-OG 3.37Å; R127-S131 PolarHBondContact O-N 3.03Å
132	K	95.1	Very high	94.8	Very high	104 Å²	104	43.2 Å²	43.2	45%	0.452	24%	0.235	S	C	.	.	I	π-helix	trans	-145.4	-74.2	-178.3	-169.2	-171.5	174.6	-166.6	0	111.2	N128 L134 E135 E136	N128-K132 WeakPolarHBondContact O-CB 3.48Å; N128-K132 PolarHBondContact O-N 3.21Å; N128-K132 VanDerWaalsContact O-N 3.14Å; K132-L134 VanDerWaalsContact C-N 3.29Å; K132-L134 PolarHBondContact O-N 2.76Å; K132-L134 VanDerWaalsContact O-N 3.16Å; K132-E135 PolarHBondContact O-N 3.14Å; K132-E135 VanDerWaalsContact O-N 3.08Å; K132-E136 WeakPolarHBondContact CE-OE1 3.4Å; K132-E136 WeakPolarHBondContact CE-OE2 3.46Å; K132-E136 HydrophobicContact CG-CG 4.25Å; K132-E136 IonicContact NZ-OE1 3.92Å; K132-E136 IonicContact NZ-OE2 3.28Å; K132-E136 PolarHBondContact O-N 3.32Å
133	D	95.8	Very high	94.5	Very high	35 Å²	35	44.2 Å²	44.2	19%	0.187	25%	0.246	C	C	.	.	I	π-helix	trans	-55.1	-43.9	-167.5	-66.2	28.7	0	0	0	112.1	K84 N128 E137	K84-D133 IonicContact NZ-OD2 3.95Å; K84-D133 PolarHBondContact NZ-OD2 3.3Å; N128-D133 PolarHBondContact O-N 2.87Å; D133-E137 WeakPolarHBondContact O-CB 3.07Å; D133-E137 WeakPolarHBondContact O-CG 3.44Å; D133-E137 PolarHBondContact O-N 2.89Å
134	L	95.1	Very high	94.3	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-68	-38.3	-178.5	-72.8	175.9	0	0	0	113.5	Y80 V129 K132 T138 T142 T213 T216 L217 A220	Y80-L134 HydrophobicContact CD2-CD2 4.24Å; Y80-L134 HydrophobicContact CE1-CD2 4.29Å; Y80-L134 HydrophobicContact CE2-CD2 3.8Å; V129-L134 HydrophobicContact CG1-CD1 3.85Å; V129-L134 HydrophobicContact CG1-CG 3.88Å; V129-L134 WeakPolarHBondContact O-CB 3.22Å; V129-L134 WeakPolarHBondContact O-CG 3.43Å; V129-L134 PolarHBondContact O-N 3.22Å; V129-L134 VanDerWaalsContact O-N 3.12Å; K132-L134 VanDerWaalsContact C-N 3.29Å; K132-L134 PolarHBondContact O-N 2.76Å; K132-L134 VanDerWaalsContact O-N 3.16Å; L134-T138 WeakPolarHBondContact O-CB 3.43Å; L134-T138 WeakPolarHBondContact O-CG2 3.48Å; L134-T138 PolarHBondContact O-N 3.35Å; L134-T138 PolarHBondContact O-OG1 3.45Å; L134-T142 HydrophobicContact CB-CG2 3.93Å; L134-T142 HydrophobicContact CD1-CG2 3.83Å; L134-T213 HydrophobicContact CD1-CG2 4.48Å; L134-T216 HydrophobicContact CB-CG2 3.86Å; L134-T216 HydrophobicContact CD1-CG2 4.46Å; L134-T216 HydrophobicContact CD2-CG2 4.25Å; L134-T216 HydrophobicContact CG-CG2 4.41Å; L134-L217 HydrophobicContact CD1-CD2 3.9Å; L134-L217 HydrophobicContact CD1-CG 3.88Å; L134-L217 HydrophobicContact CD2-CD2 3.84Å; L134-L217 HydrophobicContact CD2-CG 4.26Å; L134-L217 HydrophobicContact CG-CD2 4.43Å; L134-A220 HydrophobicContact CD2-CB 4.35Å
135	E	93.7	Very high	94.2	Very high	85 Å²	85	48.3 Å²	48.3	40%	0.397	26%	0.26	S	S	.	.	H	α-helix	trans	-72.1	-42.1	177.7	-172.6	170.2	-177.5	0	0	110.8	K132 E137 G139 H141	K132-E135 PolarHBondContact O-N 3.14Å; K132-E135 VanDerWaalsContact O-N 3.08Å; E135-E137 VanDerWaalsContact C-N 3.34Å; E135-E137 PolarHBondContact O-N 3.14Å; E135-G139 WeakPolarHBondContact O-CA 3.4Å; E135-G139 PolarHBondContact O-N 2.96Å; E135-H141 IonicContact OE1-CD2 3.9Å; E135-H141 IonicContact OE2-CD2 2.82Å; E135-H141 PolarHBondContact OE2-CD2 2.59Å
136	E	94.1	Very high	94.1	Very high	138 Å²	138	51.3 Å²	51.3	65%	0.645	27%	0.274	S	S	*	.	H	α-helix	trans	-63	-36.6	173.9	-70.3	-176.4	167.2	0	0	112.7	K132	K132-E136 WeakPolarHBondContact CE-OE1 3.4Å; K132-E136 WeakPolarHBondContact CE-OE2 3.46Å; K132-E136 HydrophobicContact CG-CG 4.25Å; K132-E136 IonicContact NZ-OE1 3.92Å; K132-E136 IonicContact NZ-OE2 3.28Å; K132-E136 PolarHBondContact O-N 3.32Å
137	E	94.2	Very high	94	Very high	62 Å²	62	52.2 Å²	52.2	29%	0.29	28%	0.279	S	S	.	.	H	α-helix	trans	-81.5	-26.1	-179.6	-76	-177.7	-120.4	0	0	114.4	Y80 K84 D133 E135 R224	Y80-E137 PolarHBondContact OH-OE1 2.71Å; K84-E137 WeakPolarHBondContact CE-OE1 3.32Å; K84-E137 IonicContact NZ-OE1 3.06Å; K84-E137 PolarHBondContact NZ-OE1 3.34Å; D133-E137 WeakPolarHBondContact O-CB 3.07Å; D133-E137 WeakPolarHBondContact O-CG 3.44Å; D133-E137 PolarHBondContact O-N 2.89Å; E135-E137 VanDerWaalsContact C-N 3.34Å; E135-E137 PolarHBondContact O-N 3.14Å; E137-R224 IonicContact OE2-CZ 3.15Å; E137-R224 IonicContact OE2-NE 3.55Å; E137-R224 PolarHBondContact OE2-NE 2.79Å; E137-R224 IonicContact OE2-NH2 3.47Å; E137-R224 PolarHBondContact OE2-NH2 3.31Å
138	T	93.1	Very high	94.1	Very high	39 Å²	39	51.3 Å²	51.3	24%	0.239	28%	0.276	C	S	.	.	H	α-helix	trans	-126.2	-16.7	-169.9	69.7	0	0	0	0	115.6	L134 L140 T216 A220	L134-T138 WeakPolarHBondContact O-CB 3.43Å; L134-T138 WeakPolarHBondContact O-CG2 3.48Å; L134-T138 PolarHBondContact O-N 3.35Å; L134-T138 PolarHBondContact O-OG1 3.45Å; T138-L140 PolarHBondContact O-N 2.88Å; T138-L140 WeakPolarHBondContact OG1-CB 3.42Å; T138-L140 PolarHBondContact OG1-N 2.82Å; T138-L140 VanDerWaalsContact OG1-N 3.13Å; T138-T216 HydrophobicContact CG2-CG2 3.96Å; T138-T216 VanDerWaalsContact OG1-CG2 3.26Å; T138-T216 WeakPolarHBondContact OG1-CG2 3.16Å; T138-A220 HydrophobicContact CG2-CB 3.74Å
139	G	92.3	Very high	94.1	Very high	66 Å²	66	47.1 Å²	47.1	68%	0.68	25%	0.254	S	S	*	.	S	Bend	trans	68.4	15.8	-169	0	0	0	0	0	114.4	E135	E135-G139 WeakPolarHBondContact O-CA 3.4Å; E135-G139 PolarHBondContact O-N 2.96Å
140	L	90.3	Very high	94.2	Very high	53 Å²	53	47.1 Å²	47.1	28%	0.277	25%	0.254	S	S	.	.			trans	-113.2	127.8	-178.6	-56.4	170.5	0	0	0	111	T138 T216 R219	T138-L140 PolarHBondContact O-N 2.88Å; T138-L140 WeakPolarHBondContact OG1-CB 3.42Å; T138-L140 PolarHBondContact OG1-N 2.82Å; T138-L140 VanDerWaalsContact OG1-N 3.13Å; L140-T216 HydrophobicContact CB-CG2 3.95Å; L140-T216 HydrophobicContact CD1-CG2 4.39Å; L140-R219 VanDerWaalsContact CD1-CD 3.43Å; L140-R219 VanDerWaalsContact CD1-NH1 3.29Å
141	H	87.9	Confident	94.3	Very high	108 Å²	108	47.2 Å²	47.2	50%	0.5	25%	0.254	S	S	.	.			trans	-74.5	137.7	176.1	-164.1	-104.9	0	0	0	111.2	E135 G143 W144	E135-H141 IonicContact OE1-CD2 3.9Å; E135-H141 IonicContact OE2-CD2 2.82Å; E135-H141 PolarHBondContact OE2-CD2 2.59Å; H141-G143 VanDerWaalsContact C-N 3.29Å; H141-G143 PolarHBondContact ND1-N 2.78Å; H141-G143 VanDerWaalsContact ND1-N 3.18Å; H141-G143 PolarHBondContact O-N 3.24Å; H141-W144 PolarHBondContact CE1-O 2.85Å
142	T	89.9	Confident	94.4	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.241	C	C	.	.			trans	-86.5	3.8	-178.7	57.1	0	0	0	0	114	I130 L134 W144 D209 T213	I130-T142 WeakPolarHBondContact O-CB 3.42Å; I130-T142 WeakPolarHBondContact O-CG2 3.24Å; I130-T142 PolarHBondContact O-OG1 2.8Å; L134-T142 HydrophobicContact CB-CG2 3.93Å; L134-T142 HydrophobicContact CD1-CG2 3.83Å; T142-W144 VanDerWaalsContact C-N 3.25Å; T142-W144 PolarHBondContact O-N 3.27Å; T142-W144 PolarHBondContact OG1-N 2.98Å; T142-D209 PolarHBondContact O-N 2.81Å; T142-T213 PolarHBondContact O-OG1 3.42Å
143	G	91.3	Very high	94.6	Very high	23 Å²	23	40.5 Å²	40.5	24%	0.237	22%	0.22	C	C	.	.			trans	70.8	20.6	-169.9	0	0	0	0	0	113.2	H141 I145	H141-G143 VanDerWaalsContact C-N 3.29Å; H141-G143 PolarHBondContact ND1-N 2.78Å; H141-G143 VanDerWaalsContact ND1-N 3.18Å; H141-G143 PolarHBondContact O-N 3.24Å; G143-I145 PolarHBondContact O-N 2.89Å
144	W	95.1	Very high	94.6	Very high	24 Å²	24	40.6 Å²	40.6	9%	0.091	22%	0.223	C	C	.	.			trans	-63.6	127.8	177.2	178.4	-103.6	0	0	0	112	L110 R127 I130 H141 T142 Q146 G206 T207 M208	L110-W144 HydrophobicContact CB-CH2 4.17Å; L110-W144 HydrophobicContact CB-CZ3 3.98Å; R127-W144 VanDerWaalsContact NH2-NE1 3.13Å; I130-W144 HydrophobicContact CD1-CD2 4.19Å; I130-W144 HydrophobicContact CD1-CE3 3.34Å; I130-W144 HydrophobicContact CD1-CH2 4.41Å; I130-W144 HydrophobicContact CD1-CZ3 3.47Å; I130-W144 VanDerWaalsContact CD1-CZ3 3.47Å; I130-W144 HydrophobicContact CG1-CD2 4.35Å; I130-W144 HydrophobicContact CG1-CE3 3.94Å; I130-W144 HydrophobicContact CG1-CZ3 4.44Å; H141-W144 PolarHBondContact CE1-O 2.85Å; T142-W144 VanDerWaalsContact C-N 3.25Å; T142-W144 PolarHBondContact O-N 3.27Å; T142-W144 PolarHBondContact OG1-N 2.98Å; W144-Q146 HydrophobicContact CZ2-CB 4.23Å; W144-Q146 HydrophobicContact CZ2-CG 4.3Å; W144-G206 VanDerWaalsContact CH2-CA 3.49Å; W144-T207 CarbonylContact C-O 3.53Å; W144-T207 WeakPolarHBondContact CA-O 3.23Å; W144-T207 VanDerWaalsContact CE3-O 3.23Å; W144-M208 HydrophobicContact CE3-CB 4.23Å
145	I	94.6	Very high	94.6	Very high	98 Å²	98	42.5 Å²	42.5	50%	0.503	23%	0.234	S	C	.	.	B	Isolated β-bridge	trans	-126.8	115.8	175.7	-62.4	169.3	0	0	0	107.4	G143 N147 G206 T207	G143-I145 PolarHBondContact O-N 2.89Å; I145-N147 HydrophobicContact CG2-CB 4.21Å; I145-N147 PolarHBondContact O-N 2.76Å; I145-N147 PolarHBondContact O-OD1 2.9Å; I145-G206 WeakPolarHBondContact O-CA 3.36Å; I145-T207 PolarHBondContact N-O 3Å; I145-T207 PolarHBondContact O-N 3.36Å
146	Q	95.6	Very high	94.6	Very high	98 Å²	98	44.4 Å²	44.4	46%	0.458	24%	0.241	S	C	.	.			trans	-93.8	71.6	176.5	-164.5	-174.8	-87.4	0	0	111	W144	W144-Q146 HydrophobicContact CZ2-CB 4.23Å; W144-Q146 HydrophobicContact CZ2-CG 4.3Å
147	N	95.5	Very high	94.7	Very high	19 Å²	19	41.9 Å²	41.9	10%	0.102	23%	0.229	C	C	.	.			trans	-89	-5.6	172.1	61.4	-39.1	0	0	0	113.3	I145 M304 P305 N306	I145-N147 HydrophobicContact CG2-CB 4.21Å; I145-N147 PolarHBondContact O-N 2.76Å; I145-N147 PolarHBondContact O-OD1 2.9Å; N147-M304 PolarHBondContact ND2-O 2.94Å; N147-P305 VanDerWaalsContact O-CA 3.24Å; N147-P305 WeakPolarHBondContact O-CA 3.32Å; N147-N306 VanDerWaalsContact CG-ND2 3.33Å; N147-N306 PolarHBondContact ND2-ND2 2.92Å; N147-N306 VanDerWaalsContact ND2-ND2 3.18Å; N147-N306 PolarHBondContact ND2-OD1 2.7Å; N147-N306 PolarHBondContact OD1-ND2 2.62Å
148	G	97.2	Very high	94.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.216	C	C	.	.			trans	87.4	174.6	-179	0	0	0	0	0	113.9	V202 D205 N306	G148-V202 WeakPolarHBondContact CA-O 3.43Å; G148-D205 WeakPolarHBondContact CA-O 2.99Å; G148-D205 PolarHBondContact N-O 2.88Å; G148-N306 PolarHBondContact O-N 3.08Å; G148-N306 PolarHBondContact O-ND2 3.16Å; G148-N306 VanDerWaalsContact O-ND2 3.13Å
149	G	97.6	Very high	95	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	135.2	179.7	0	0	0	0	0	111	Y201 V202 N306	G149-Y201 WeakPolarHBondContact O-CA 3.38Å; G149-Y201 WeakPolarHBondContact O-CD2 3.38Å; G149-V202 PolarHBondContact N-O 2.99Å; G149-V202 PolarHBondContact O-N 3.32Å; G149-N306 CarbonylContact C-O 3.54Å; G149-N306 WeakPolarHBondContact CA-O 3.25Å
150	L	98.2	Very high	95.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	115.6	-175.6	-172	68.2	0	0	0	110	I152 T184 L187 Y188 M191 T199 Y201 P305 N306 V307 R308	L150-I152 HydrophobicContact CD2-CD1 4.19Å; L150-I152 HydrophobicContact CG-CD1 4.04Å; L150-T184 HydrophobicContact CD2-CG2 4.21Å; L150-L187 HydrophobicContact CD1-CD2 4.31Å; L150-Y188 HydrophobicContact CD2-CD2 4.2Å; L150-M191 HydrophobicContact CD2-CE 3.86Å; L150-M191 HydrophobicContact CD2-SD 4.16Å; L150-T199 HydrophobicContact CD1-CG2 4.23Å; L150-T199 WeakPolarHBondContact CD1-OG1 3.33Å; L150-T199 HydrophobicContact CG-CG2 4.39Å; L150-Y201 HydrophobicContact CD1-CD2 4.39Å; L150-P305 HydrophobicContact CB-CB 3.87Å; L150-N306 PolarHBondContact N-O 3.03Å; L150-V307 CarbonylContact O-C 3.23Å; L150-V307 WeakPolarHBondContact O-CA 3.18Å; L150-R308 PolarHBondContact O-N 3.28Å
151	F	98.3	Very high	95.5	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.009	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	125.4	-176.8	-64	-126.2	0	0	0	108.5	W111 Y162 T199 L200 V202 H310	W111-F151 HydrophobicContact CB-CZ 4.1Å; W111-F151 HydrophobicContact CD2-CZ 4.48Å; W111-F151 HydrophobicContact CE3-CD2 4.26Å; W111-F151 AromaticContact CE3-CE2 3.6Å; W111-F151 HydrophobicContact CE3-CE2 3.6Å; W111-F151 AromaticContact CE3-CZ 3.86Å; W111-F151 HydrophobicContact CE3-CZ 3.86Å; W111-F151 HydrophobicContact CZ3-CD2 4.39Å; W111-F151 HydrophobicContact CZ3-CE2 4.15Å; F151-Y162 VanDerWaalsContact C-CE2 3.47Å; F151-Y162 HydrophobicContact CB-CD2 4.13Å; F151-Y162 HydrophobicContact CB-CE1 4.15Å; F151-Y162 HydrophobicContact CB-CE2 3.55Å; F151-Y162 HydrophobicContact CD1-CE1 4.18Å; F151-Y162 WeakPolarHBondContact O-CE2 3.4Å; F151-T199 CarbonylContact O-C 3.53Å; F151-T199 WeakPolarHBondContact O-CA 3.47Å; F151-T199 VanDerWaalsContact O-CB 3.24Å; F151-T199 WeakPolarHBondContact O-CB 3.38Å; F151-L200 HydrophobicContact CB-CB 4.12Å; F151-L200 WeakPolarHBondContact CD2-O 3.42Å; F151-L200 PolarHBondContact N-O 3.45Å; F151-L200 PolarHBondContact O-N 3.07Å; F151-V202 HydrophobicContact CE2-CG2 4.03Å; F151-H310 AromaticContact CD1-CE1 3.54Å
152	I	98.2	Very high	95.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	132.9	-171	-49.8	-56.9	0	0	0	112.2	L150 Y162 M191 L196 T199 V307 R308 D309	L150-I152 HydrophobicContact CD2-CD1 4.19Å; L150-I152 HydrophobicContact CG-CD1 4.04Å; I152-Y162 WeakPolarHBondContact O-CE2 3.44Å; I152-Y162 PolarHBondContact O-OH 3.27Å; I152-M191 HydrophobicContact CD1-CE 3.92Å; I152-M191 HydrophobicContact CD1-SD 3.75Å; I152-L196 HydrophobicContact CG2-CD1 4.2Å; I152-L196 HydrophobicContact CG2-CD2 3.27Å; I152-L196 HydrophobicContact CG2-CG 4.38Å; I152-T199 HydrophobicContact CD1-CG2 3.6Å; I152-V307 HydrophobicContact CD1-CG1 3.82Å; I152-V307 HydrophobicContact CG1-CG1 3.51Å; I152-R308 PolarHBondContact N-O 2.96Å; I152-D309 HydrophobicContact CB-CB 3.9Å; I152-D309 HydrophobicContact CG1-CB 3.98Å; I152-D309 HydrophobicContact CG2-CB 4.42Å
153	A	97.9	Very high	96.2	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	102.2	174.1	0	0	0	0	0	111.4	N155 R158 L159 Y162 Y197 G198	A153-N155 VanDerWaalsContact C-N 3.31Å; A153-R158 HydrophobicContact CB-CB 3.86Å; A153-R158 HydrophobicContact CB-CG 3.74Å; A153-L159 HydrophobicContact CB-CB 3.85Å; A153-L159 HydrophobicContact CB-CD1 4.35Å; A153-Y162 HydrophobicContact CB-CD2 4.08Å; A153-Y162 HydrophobicContact CB-CE2 3.95Å; A153-Y197 PolarHBondContact O-N 3.44Å; A153-G198 WeakPolarHBondContact CB-O 3.11Å; A153-G198 PolarHBondContact N-O 2.89Å
154	S	96.1	Very high	96.4	Very high	37 Å²	37	32.7 Å²	32.7	26%	0.259	16%	0.156	S	C	.	.	S	Bend	trans	-84.7	-6.3	173.5	69.6	0	0	0	0	113.1	Y197 D311	S154-Y197 VanDerWaalsContact O-CD2 3.26Å; S154-Y197 WeakPolarHBondContact O-CD2 3.23Å; S154-Y197 VanDerWaalsContact O-CE2 3.26Å; S154-Y197 WeakPolarHBondContact O-CE2 3.35Å; S154-D311 PolarHBondContact N-OD2 3.03Å; S154-D311 WeakPolarHBondContact OG-CB 3.36Å; S154-D311 VanDerWaalsContact OG-CG 3.22Å; S154-D311 PolarHBondContact OG-OD2 2.9Å
155	N	95.8	Very high	96.5	Very high	41 Å²	41	32 Å²	32	22%	0.219	16%	0.155	C	C	.	.	S	Bend	trans	-140	162.2	177.7	67.5	80.7	0	0	0	112.3	A153 Q157 R158 L159 D311	A153-N155 VanDerWaalsContact C-N 3.31Å; N155-Q157 PolarHBondContact OD1-N 2.95Å; N155-Q157 VanDerWaalsContact OD1-N 3.15Å; N155-R158 PolarHBondContact O-N 3.16Å; N155-R158 PolarHBondContact OD1-N 2.98Å; N155-L159 PolarHBondContact O-N 2.94Å; N155-D311 PolarHBondContact ND2-OD1 3.34Å; N155-D311 VanDerWaalsContact ND2-OD1 3.1Å; N155-D311 PolarHBondContact ND2-OD2 2.98Å
156	K	94.6	Very high	96.5	Very high	125 Å²	125	28.8 Å²	28.8	54%	0.543	14%	0.138	S	C	.	.	H	α-helix	trans	-62.1	-44.2	-178.5	-173.8	-173.4	172.1	-168.4	0	112.7	R158 L159 D160 Y197	K156-R158 VanDerWaalsContact C-N 3.28Å; K156-R158 PolarHBondContact O-N 2.8Å; K156-L159 PolarHBondContact O-N 2.85Å; K156-D160 WeakPolarHBondContact CE-OD2 3.4Å; K156-D160 WeakPolarHBondContact O-CB 3.4Å; K156-D160 PolarHBondContact O-N 2.83Å; K156-Y197 HydrophobicContact CB-CD1 4.27Å; K156-Y197 HydrophobicContact CB-CE1 4.13Å
157	Q	95.1	Very high	96.4	Very high	84 Å²	84	24.2 Å²	24.2	39%	0.393	12%	0.116	S	C	.	.	H	α-helix	trans	-59.5	-40.7	-179.5	-68.7	93	-36.3	0	0	111.5	N155 D160 E161 F469 F545	N155-Q157 PolarHBondContact OD1-N 2.95Å; N155-Q157 VanDerWaalsContact OD1-N 3.15Å; Q157-D160 PolarHBondContact O-N 3.4Å; Q157-E161 PolarHBondContact O-N 3.22Å; Q157-F469 HydrophobicContact CB-CE1 4.16Å; Q157-F469 HydrophobicContact CB-CZ 4.06Å; Q157-F469 HydrophobicContact CG-CE1 4.12Å; Q157-F469 HydrophobicContact CG-CZ 4.11Å; Q157-F545 WeakPolarHBondContact O-CE2 3.14Å
158	R	96.9	Very high	96.4	Very high	6 Å²	6	23.4 Å²	23.4	2%	0.023	11%	0.112	C	C	.	.	H	α-helix	trans	-64.2	-43.2	176.7	-172	65.5	68.4	172.6	12	112.5	A153 N155 K156 D160 E161 Y162 D311 Y465 S466	A153-R158 HydrophobicContact CB-CB 3.86Å; A153-R158 HydrophobicContact CB-CG 3.74Å; N155-R158 PolarHBondContact O-N 3.16Å; N155-R158 PolarHBondContact OD1-N 2.98Å; K156-R158 VanDerWaalsContact C-N 3.28Å; K156-R158 PolarHBondContact O-N 2.8Å; R158-D160 VanDerWaalsContact C-N 3.27Å; R158-D160 PolarHBondContact O-N 3.27Å; R158-E161 VanDerWaalsContact CD-OE2 3.24Å; R158-E161 WeakPolarHBondContact CD-OE2 3.36Å; R158-E161 IonicContact CZ-OE2 2.71Å; R158-E161 IonicContact NE-OE2 3.63Å; R158-E161 IonicContact NH1-OE2 2.6Å; R158-E161 PolarHBondContact NH1-OE2 2.86Å; R158-E161 WeakPolarHBondContact O-CB 3.38Å; R158-E161 PolarHBondContact O-N 3.18Å; R158-Y162 VanDerWaalsContact CD-CZ 3.49Å; R158-Y162 WeakPolarHBondContact CD-OH 3.42Å; R158-Y162 HydrophobicContact CG-CD2 4.44Å; R158-Y162 HydrophobicContact CG-CE1 4Å; R158-Y162 HydrophobicContact CG-CE2 3.79Å; R158-Y162 VanDerWaalsContact O-CG 3.31Å; R158-Y162 PolarHBondContact O-N 3.34Å; R158-D311 IonicContact CZ-OD1 2.87Å; R158-D311 VanDerWaalsContact CZ-OD1 3.31Å; R158-D311 IonicContact NE-OD1 3.22Å; R158-D311 PolarHBondContact NE-OD1 3.16Å; R158-D311 IonicContact NH2-OD1 3.78Å; R158-D311 PolarHBondContact NH2-OD1 3.09Å; R158-Y465 PolarHBondContact NH1-O 3.15Å; R158-Y465 PolarHBondContact NH2-O 2.86Å; R158-S466 PolarHBondContact NH1-O 3.36Å; R158-S466 VanDerWaalsContact NH1-O 3.08Å
159	L	97.1	Very high	96.4	Very high	18 Å²	18	23.4 Å²	23.4	9%	0.094	11%	0.112	C	C	.	.	H	α-helix	trans	-63.5	-36.7	175.9	-175.5	64.8	0	0	0	111.5	A153 N155 K156 Y162 K163 V178	A153-L159 HydrophobicContact CB-CB 3.85Å; A153-L159 HydrophobicContact CB-CD1 4.35Å; N155-L159 PolarHBondContact O-N 2.94Å; K156-L159 PolarHBondContact O-N 2.85Å; L159-Y162 PolarHBondContact O-N 3.22Å; L159-K163 WeakPolarHBondContact O-CG 3.3Å; L159-K163 PolarHBondContact O-N 3.32Å; L159-V178 HydrophobicContact CD1-CG1 3.72Å
160	D	95.8	Very high	96.2	Very high	23 Å²	23	27.2 Å²	27.2	12%	0.123	13%	0.129	C	C	.	.	H	α-helix	trans	-70.1	-39.1	176.9	-74.4	-12.9	0	0	0	111.8	K156 Q157 R158 Y162 K163 R164 F545 M890	K156-D160 WeakPolarHBondContact CE-OD2 3.4Å; K156-D160 WeakPolarHBondContact O-CB 3.4Å; K156-D160 PolarHBondContact O-N 2.83Å; Q157-D160 PolarHBondContact O-N 3.4Å; R158-D160 VanDerWaalsContact C-N 3.27Å; R158-D160 PolarHBondContact O-N 3.27Å; D160-Y162 VanDerWaalsContact C-N 3.31Å; D160-Y162 PolarHBondContact O-N 3.34Å; D160-K163 PolarHBondContact O-N 2.95Å; D160-K163 IonicContact OD1-NZ 3.6Å; D160-K163 PolarHBondContact OD1-NZ 3.35Å; D160-R164 WeakPolarHBondContact O-CG 3.34Å; D160-R164 PolarHBondContact O-N 3.04Å; D160-R164 VanDerWaalsContact O-N 3.12Å; D160-F545 HydrophobicContact CB-CD2 4.15Å; D160-M890 HydrophobicContact CB-SD 3.56Å; D160-M890 VanDerWaalsContact CB-SD 3.56Å; D160-M890 VanDerWaalsContact O-SD 3.4Å
161	E	96	Very high	96.1	Very high	15 Å²	15	28.9 Å²	28.9	7%	0.07	14%	0.138	C	C	.	.	H	α-helix	trans	-53.9	-47.5	167	179	176.4	-118	0	0	111.1	Q157 R158 K163 R164 L165 V467 V468 F545	Q157-E161 PolarHBondContact O-N 3.22Å; R158-E161 VanDerWaalsContact CD-OE2 3.24Å; R158-E161 WeakPolarHBondContact CD-OE2 3.36Å; R158-E161 IonicContact CZ-OE2 2.71Å; R158-E161 IonicContact NE-OE2 3.63Å; R158-E161 IonicContact NH1-OE2 2.6Å; R158-E161 PolarHBondContact NH1-OE2 2.86Å; R158-E161 WeakPolarHBondContact O-CB 3.38Å; R158-E161 PolarHBondContact O-N 3.18Å; E161-K163 PolarHBondContact O-N 3.49Å; E161-R164 WeakPolarHBondContact O-CA 3.24Å; E161-R164 VanDerWaalsContact O-CB 3.29Å; E161-R164 WeakPolarHBondContact O-CB 3.41Å; E161-R164 PolarHBondContact O-N 2.82Å; E161-R164 VanDerWaalsContact O-N 3.07Å; E161-L165 PolarHBondContact O-N 3.32Å; E161-V467 HydrophobicContact CB-CG1 4.41Å; E161-V468 PolarHBondContact OE1-N 3.01Å; E161-F545 HydrophobicContact CB-CE2 3.77Å; E161-F545 HydrophobicContact CB-CZ 3.84Å; E161-F545 HydrophobicContact CG-CZ 4.31Å
162	Y	97.1	Very high	96	Very high	1 Å²	1	31.9 Å²	31.9	0%	0.004	15%	0.15	C	C	.	.	H	α-helix	trans	-67.7	-34.7	-179	-68.3	-5.6	0	0	0	113.9	F151 I152 A153 R158 L159 D160 R164 L165 M166 L200 H310	F151-Y162 VanDerWaalsContact C-CE2 3.47Å; F151-Y162 HydrophobicContact CB-CD2 4.13Å; F151-Y162 HydrophobicContact CB-CE1 4.15Å; F151-Y162 HydrophobicContact CB-CE2 3.55Å; F151-Y162 HydrophobicContact CD1-CE1 4.18Å; F151-Y162 WeakPolarHBondContact O-CE2 3.4Å; I152-Y162 WeakPolarHBondContact O-CE2 3.44Å; I152-Y162 PolarHBondContact O-OH 3.27Å; A153-Y162 HydrophobicContact CB-CD2 4.08Å; A153-Y162 HydrophobicContact CB-CE2 3.95Å; R158-Y162 VanDerWaalsContact CD-CZ 3.49Å; R158-Y162 WeakPolarHBondContact CD-OH 3.42Å; R158-Y162 HydrophobicContact CG-CD2 4.44Å; R158-Y162 HydrophobicContact CG-CE1 4Å; R158-Y162 HydrophobicContact CG-CE2 3.79Å; R158-Y162 VanDerWaalsContact O-CG 3.31Å; R158-Y162 PolarHBondContact O-N 3.34Å; L159-Y162 PolarHBondContact O-N 3.22Å; D160-Y162 VanDerWaalsContact C-N 3.31Å; D160-Y162 PolarHBondContact O-N 3.34Å; Y162-R164 VanDerWaalsContact C-N 3.28Å; Y162-R164 PolarHBondContact O-N 3.41Å; Y162-L165 HydrophobicContact CD1-CD1 4.14Å; Y162-L165 PolarHBondContact O-N 3.38Å; Y162-M166 PolarHBondContact O-N 2.85Å; Y162-L200 HydrophobicContact CD1-CD2 4.44Å; Y162-L200 HydrophobicContact CD2-CB 3.82Å; Y162-L200 HydrophobicContact CG-CB 3.92Å; Y162-L200 HydrophobicContact CG-CD2 4.17Å; Y162-H310 AromaticContact CZ-ND1 3.99Å; Y162-H310 PolarHBondContact OH-CE1 2.83Å; Y162-H310 PolarHBondContact OH-ND1 3.13Å
163	K	96.8	Very high	95.8	Very high	53 Å²	53	35.1 Å²	35.1	23%	0.23	18%	0.184	C	C	.	.	H	α-helix	trans	-64.6	-32.9	170.5	-67.8	167.5	-168.2	152.3	0	111.9	L159 D160 E161 S167 V178 M890	L159-K163 WeakPolarHBondContact O-CG 3.3Å; L159-K163 PolarHBondContact O-N 3.32Å; D160-K163 PolarHBondContact O-N 2.95Å; D160-K163 IonicContact OD1-NZ 3.6Å; D160-K163 PolarHBondContact OD1-NZ 3.35Å; E161-K163 PolarHBondContact O-N 3.49Å; K163-S167 PolarHBondContact O-N 2.9Å; K163-S167 PolarHBondContact O-OG 3.38Å; K163-V178 HydrophobicContact CG-CG2 4.16Å; K163-M890 HydrophobicContact CB-CB 3.6Å; K163-M890 HydrophobicContact CB-CG 3.92Å; K163-M890 HydrophobicContact CD-CB 4.11Å
164	R	95.4	Very high	95.8	Very high	42 Å²	42	36 Å²	36	16%	0.158	19%	0.188	C	C	.	.	H	α-helix	trans	-64.9	-45	171.1	-62.4	171.6	59.1	68.7	8.1	110.7	D160 E161 Y162 M166 S167 L168 G835 E837 M890	D160-R164 WeakPolarHBondContact O-CG 3.34Å; D160-R164 PolarHBondContact O-N 3.04Å; D160-R164 VanDerWaalsContact O-N 3.12Å; E161-R164 WeakPolarHBondContact O-CA 3.24Å; E161-R164 VanDerWaalsContact O-CB 3.29Å; E161-R164 WeakPolarHBondContact O-CB 3.41Å; E161-R164 PolarHBondContact O-N 2.82Å; E161-R164 VanDerWaalsContact O-N 3.07Å; Y162-R164 VanDerWaalsContact C-N 3.28Å; Y162-R164 PolarHBondContact O-N 3.41Å; R164-M166 PolarHBondContact O-N 3.18Å; R164-S167 WeakPolarHBondContact O-CB 3.47Å; R164-S167 PolarHBondContact O-N 2.77Å; R164-L168 PolarHBondContact O-N 2.81Å; R164-L168 VanDerWaalsContact O-N 3.07Å; R164-G835 PolarHBondContact NH2-O 3.03Å; R164-E837 IonicContact CZ-OE1 2.81Å; R164-E837 IonicContact NH1-OE1 3.77Å; R164-E837 PolarHBondContact NH1-OE1 3.46Å; R164-E837 IonicContact NH2-OE1 2.96Å; R164-M890 HydrophobicContact CG-CG 3.6Å; R164-M890 HydrophobicContact CG-SD 4.09Å
165	L	95.9	Very high	95.8	Very high	11 Å²	11	37.4 Å²	37.4	6%	0.058	19%	0.191	C	C	.	.	H	α-helix	trans	-60.5	-43.8	175.8	-62.8	-175	0	0	0	112.7	L113 R114 P115 E161 Y162 S167 L168 G169 L200	L113-L165 HydrophobicContact CB-CB 4.42Å; L113-L165 HydrophobicContact CD1-CB 4.44Å; R114-L165 VanDerWaalsContact C-CD2 3.41Å; P115-L165 HydrophobicContact CB-CD2 4.05Å; E161-L165 PolarHBondContact O-N 3.32Å; Y162-L165 HydrophobicContact CD1-CD1 4.14Å; Y162-L165 PolarHBondContact O-N 3.38Å; L165-S167 VanDerWaalsContact C-N 3.32Å; L165-S167 PolarHBondContact O-N 2.87Å; L165-L168 PolarHBondContact O-N 2.81Å; L165-G169 PolarHBondContact O-N 3.4Å; L165-L200 HydrophobicContact CB-CD2 3.99Å; L165-L200 HydrophobicContact CD1-CD2 4.21Å
166	M	95.9	Very high	95.9	Very high	30 Å²	30	36.2 Å²	36.2	15%	0.148	19%	0.186	C	C	.	.	H	α-helix	trans	-61.2	-40.1	174.8	-176.6	-170.5	62.9	0	0	111.8	Y162 R164 L168 G169 K170 V178 L200	Y162-M166 PolarHBondContact O-N 2.85Å; R164-M166 PolarHBondContact O-N 3.18Å; M166-L168 VanDerWaalsContact C-N 3.34Å; M166-L168 PolarHBondContact O-N 3.08Å; M166-G169 PolarHBondContact O-N 2.85Å; M166-K170 PolarHBondContact O-N 2.84Å; M166-V178 HydrophobicContact CB-CG2 4.35Å; M166-V178 HydrophobicContact CE-CG2 4.17Å; M166-V178 HydrophobicContact SD-CB 4.28Å; M166-V178 HydrophobicContact SD-CG2 3.75Å; M166-L200 HydrophobicContact CB-CD1 4.17Å
167	S	94.1	Very high	96	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.007	18%	0.18	C	C	.	.	H	α-helix	trans	-61.2	-42.7	176.4	-52.5	0	0	0	0	111.1	K163 R164 L165 E888 M890 G891	K163-S167 PolarHBondContact O-N 2.9Å; K163-S167 PolarHBondContact O-OG 3.38Å; R164-S167 WeakPolarHBondContact O-CB 3.47Å; R164-S167 PolarHBondContact O-N 2.77Å; L165-S167 VanDerWaalsContact C-N 3.32Å; L165-S167 PolarHBondContact O-N 2.87Å; S167-E888 WeakPolarHBondContact CB-OE1 3.09Å; S167-E888 PolarHBondContact OG-OE1 2.71Å; S167-E888 VanDerWaalsContact OG-OE1 3.12Å; S167-M890 PolarHBondContact OG-N 3.27Å; S167-G891 PolarHBondContact OG-N 2.76Å
168	L	95.1	Very high	96.2	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.01	18%	0.175	C	C	.	.	H	α-helix	trans	-67.1	-38.9	174.1	-175.3	63.3	0	0	0	112.2	V120 R164 L165 M166 K170 V171 Y172 L836	V120-L168 HydrophobicContact CG2-CD2 4.26Å; R164-L168 PolarHBondContact O-N 2.81Å; R164-L168 VanDerWaalsContact O-N 3.07Å; L165-L168 PolarHBondContact O-N 2.81Å; M166-L168 VanDerWaalsContact C-N 3.34Å; M166-L168 PolarHBondContact O-N 3.08Å; L168-K170 VanDerWaalsContact C-N 3.27Å; L168-K170 PolarHBondContact O-N 2.75Å; L168-V171 WeakPolarHBondContact O-CB 3.45Å; L168-V171 PolarHBondContact O-N 3.03Å; L168-Y172 HydrophobicContact CD1-CD2 3.92Å; L168-Y172 HydrophobicContact CD1-CE2 3.83Å; L168-Y172 HydrophobicContact CG-CD2 4.16Å; L168-Y172 HydrophobicContact CG-CE2 4.44Å; L168-Y172 PolarHBondContact O-N 3.26Å; L168-L836 HydrophobicContact CD1-CB 4.29Å; L168-L836 HydrophobicContact CD1-CD2 4.15Å; L168-L836 HydrophobicContact CD2-CD1 4.21Å; L168-L836 HydrophobicContact CD2-CD2 4.38Å
169	G	95.6	Very high	96.2	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-54.9	-40.2	176.7	0	0	0	0	0	113	L165 M166 V171 Y172 G173 I174	L165-G169 PolarHBondContact O-N 3.4Å; M166-G169 PolarHBondContact O-N 2.85Å; G169-V171 VanDerWaalsContact C-N 3.3Å; G169-V171 PolarHBondContact O-N 3.14Å; G169-Y172 CarbonylContact O-C 3.58Å; G169-Y172 PolarHBondContact O-N 2.92Å; G169-Y172 VanDerWaalsContact O-N 3.14Å; G169-G173 PolarHBondContact O-N 2.82Å; G169-I174 PolarHBondContact O-N 3.02Å
170	K	95.2	Very high	96.3	Very high	81 Å²	81	35.9 Å²	35.9	35%	0.352	19%	0.191	S	C	.	.	H	α-helix	trans	-58.9	-36.4	174.1	-66.7	169.7	-179.8	171.1	0	113.5	M166 L168 Y172 F840 E888	M166-K170 PolarHBondContact O-N 2.84Å; L168-K170 VanDerWaalsContact C-N 3.27Å; L168-K170 PolarHBondContact O-N 2.75Å; K170-Y172 VanDerWaalsContact C-N 3.31Å; K170-F840 HydrophobicContact CD-CZ 4.33Å; K170-E888 IonicContact NZ-OE1 2.88Å; K170-E888 PolarHBondContact NZ-OE1 2.87Å; K170-E888 IonicContact NZ-OE2 3.46Å; K170-E888 PolarHBondContact NZ-OE2 2.87Å
171	V	95.5	Very high	96.4	Very high	34 Å²	34	36.4 Å²	36.4	21%	0.206	20%	0.196	C	C	.	.	H	α-helix	trans	-70	-32.5	178.6	-176.3	0	0	0	0	111.2	L168 G169 A838 H848	L168-V171 WeakPolarHBondContact O-CB 3.45Å; L168-V171 PolarHBondContact O-N 3.03Å; G169-V171 VanDerWaalsContact C-N 3.3Å; G169-V171 PolarHBondContact O-N 3.14Å; V171-A838 HydrophobicContact CG2-CB 3.42Å; V171-A838 VanDerWaalsContact CG2-CB 3.42Å; V171-H848 HydrophobicContact CG2-CB 4.49Å
172	Y	95.7	Very high	96.5	Very high	65 Å²	65	38.6 Å²	38.6	26%	0.255	22%	0.216	S	C	.	.	H	α-helix	trans	-99.9	3.8	-177.1	-78.8	-75.4	0	0	0	114.8	D117 V120 E121 L168 G169 K170 I174 H848	D117-Y172 HydrophobicContact CB-CE2 3.95Å; D117-Y172 WeakPolarHBondContact CB-OH 3.33Å; V120-Y172 HydrophobicContact CG1-CD1 3.97Å; V120-Y172 HydrophobicContact CG1-CD2 3.79Å; V120-Y172 HydrophobicContact CG1-CE2 4.48Å; V120-Y172 HydrophobicContact CG1-CG 3.48Å; V120-Y172 VanDerWaalsContact CG1-CG 3.48Å; E121-Y172 HydrophobicContact CG-CD1 3.92Å; E121-Y172 HydrophobicContact CG-CE1 3.31Å; E121-Y172 VanDerWaalsContact OE2-CE1 3.26Å; E121-Y172 WeakPolarHBondContact OE2-CE1 3.44Å; E121-Y172 PolarHBondContact OE2-OH 3.18Å; L168-Y172 HydrophobicContact CD1-CD2 3.92Å; L168-Y172 HydrophobicContact CD1-CE2 3.83Å; L168-Y172 HydrophobicContact CG-CD2 4.16Å; L168-Y172 HydrophobicContact CG-CE2 4.44Å; L168-Y172 PolarHBondContact O-N 3.26Å; G169-Y172 CarbonylContact O-C 3.58Å; G169-Y172 PolarHBondContact O-N 2.92Å; G169-Y172 VanDerWaalsContact O-N 3.14Å; K170-Y172 VanDerWaalsContact C-N 3.31Å; Y172-I174 VanDerWaalsContact C-N 3.29Å; Y172-I174 PolarHBondContact O-N 2.67Å; Y172-H848 AromaticContact CE2-ND1 3.94Å
173	G	95.2	Very high	96.6	Very high	69 Å²	69	43.2 Å²	43.2	71%	0.711	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.4	19.4	-179.6	0	0	0	0	0	114.5	G169 E175	G169-G173 PolarHBondContact O-N 2.82Å; G173-E175 PolarHBondContact O-N 3.05Å
174	I	96.4	Very high	96.7	Very high	18 Å²	18	40.7 Å²	40.7	9%	0.092	23%	0.227	C	C	.	.			trans	-85.8	109.2	176.7	-63.5	167.2	0	0	0	109.4	Q112 L113 V120 G169 Y172 S176 V202	Q112-I174 HydrophobicContact CB-CD1 3.99Å; Q112-I174 HydrophobicContact CB-CG2 4.32Å; L113-I174 HydrophobicContact CD1-CG2 4.47Å; L113-I174 HydrophobicContact CD2-CB 4.03Å; L113-I174 HydrophobicContact CD2-CD1 3.84Å; L113-I174 HydrophobicContact CD2-CG2 3.82Å; L113-I174 HydrophobicContact CG-CG2 3.97Å; V120-I174 HydrophobicContact CG1-CD1 3.56Å; G169-I174 PolarHBondContact O-N 3.02Å; Y172-I174 VanDerWaalsContact C-N 3.29Å; Y172-I174 PolarHBondContact O-N 2.67Å; I174-S176 PolarHBondContact O-N 3.31Å; I174-S176 PolarHBondContact O-OG 3.49Å; I174-V202 HydrophobicContact CG2-CG1 4.08Å
175	E	96.9	Very high	96.8	Very high	67 Å²	67	42.4 Å²	42.4	31%	0.313	24%	0.235	S	C	.	.			trans	-58.8	120.6	170.9	-176.5	179.4	178	0	0	110.7	G173 Y177 P203 K204	G173-E175 PolarHBondContact O-N 3.05Å; E175-Y177 HydrophobicContact CG-CE2 3.72Å; E175-Y177 PolarHBondContact OE1-OH 2.95Å; E175-P203 HydrophobicContact CG-CG 4.24Å; E175-P203 WeakPolarHBondContact O-CD 3.32Å; E175-K204 VanDerWaalsContact OE2-CE 3.28Å; E175-K204 WeakPolarHBondContact OE2-CE 3.47Å; E175-K204 IonicContact OE2-NZ 3.93Å; E175-K204 PolarHBondContact OE2-NZ 2.82Å
176	S	97.6	Very high	96.8	Very high	15 Å²	15	48.2 Å²	48.2	11%	0.105	27%	0.266	C	S	.	.			trans	-158.3	151.6	-179.1	53.9	0	0	0	0	111.3	I174 Y201	I174-S176 PolarHBondContact O-N 3.31Å; I174-S176 PolarHBondContact O-OG 3.49Å; S176-Y201 CarbonylContact C-O 3.31Å; S176-Y201 VanDerWaalsContact CA-O 3.24Å; S176-Y201 WeakPolarHBondContact CA-O 3.28Å
177	Y	97.7	Very high	96.9	Very high	110 Å²	110	49.2 Å²	49.2	43%	0.431	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	131.2	-173.5	-55.2	-82.6	0	0	0	110.2	E175 L200 Y201 P203	E175-Y177 HydrophobicContact CG-CE2 3.72Å; E175-Y177 PolarHBondContact OE1-OH 2.95Å; Y177-L200 WeakPolarHBondContact O-CA 3.24Å; Y177-Y201 HydrophobicContact CD2-CD1 4.2Å; Y177-Y201 PolarHBondContact N-O 3.12Å; Y177-Y201 PolarHBondContact O-N 3.46Å; Y177-P203 HydrophobicContact CD2-CG 4.1Å; Y177-P203 HydrophobicContact CE2-CG 3.77Å
178	V	97.9	Very high	97	Very high	46 Å²	46	49.3 Å²	49.3	28%	0.279	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	111.4	165.8	173.4	0	0	0	0	107.6	L159 K163 M166 T199 L200	L159-V178 HydrophobicContact CD1-CG1 3.72Å; K163-V178 HydrophobicContact CG-CG2 4.16Å; M166-V178 HydrophobicContact CB-CG2 4.35Å; M166-V178 HydrophobicContact CE-CG2 4.17Å; M166-V178 HydrophobicContact SD-CB 4.28Å; M166-V178 HydrophobicContact SD-CG2 3.75Å; V178-T199 CarbonylContact C-O 3.57Å; V178-T199 VanDerWaalsContact CA-O 3.3Å; V178-T199 WeakPolarHBondContact CA-O 3.4Å; V178-L200 HydrophobicContact CG2-CD1 4.17Å
179	L	98.4	Very high	97.1	Very high	23 Å²	23	52.6 Å²	52.6	12%	0.12	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	144	-175.8	-54.6	-179.2	0	0	0	110.9	E183 L187 G198 T199 Y201	L179-E183 HydrophobicContact CB-CB 4.02Å; L179-E183 HydrophobicContact CD2-CB 4.31Å; L179-L187 HydrophobicContact CD1-CD2 3.74Å; L179-G198 VanDerWaalsContact O-CA 3.22Å; L179-G198 WeakPolarHBondContact O-CA 3.09Å; L179-T199 PolarHBondContact N-O 2.66Å; L179-T199 PolarHBondContact O-N 3.31Å; L179-Y201 HydrophobicContact CD1-CD1 4.36Å; L179-Y201 HydrophobicContact CD1-CG 4.29Å
180	S	98.3	Very high	97.1	Very high	48 Å²	48	55.1 Å²	55.1	34%	0.336	31%	0.307	S	S	.	.			trans	-69.4	160	164.6	68.4	0	0	0	0	111.4	A182 E183 T184	S180-A182 PolarHBondContact O-N 3.27Å; S180-A182 VanDerWaalsContact O-N 3.17Å; S180-E183 WeakPolarHBondContact CB-OE2 3.37Å; S180-E183 PolarHBondContact N-OE2 2.92Å; S180-E183 PolarHBondContact O-N 3.11Å; S180-E183 VanDerWaalsContact O-N 3.14Å; S180-E183 WeakPolarHBondContact OG-CG 3.42Å; S180-E183 PolarHBondContact OG-N 2.78Å; S180-E183 PolarHBondContact OG-OE2 2.99Å; S180-T184 PolarHBondContact O-N 3.01Å; S180-T184 PolarHBondContact O-OG1 3.43Å; S180-T184 VanDerWaalsContact O-OG1 3.11Å
181	P	98.4	Very high	97.2	Very high	34 Å²	34	51.2 Å²	51.2	22%	0.221	29%	0.29	C	S	.	.	H	α-helix	trans	-53.4	-35.8	177.2	-29.3	37.3	0	0	0	114.1	T184 K185 I193 L196	P181-T184 WeakPolarHBondContact O-CB 3.19Å; P181-T184 PolarHBondContact O-N 3.42Å; P181-K185 PolarHBondContact O-N 3.01Å; P181-I193 HydrophobicContact CB-CB 4.14Å; P181-I193 HydrophobicContact CB-CD1 4Å; P181-I193 WeakPolarHBondContact O-CD1 3.41Å; P181-L196 HydrophobicContact CB-CB 4.48Å; P181-L196 HydrophobicContact CG-CB 4.25Å; P181-L196 WeakPolarHBondContact CG-O 3.2Å
182	A	98.3	Very high	97.3	Very high	60 Å²	60	51.1 Å²	51.1	50%	0.496	29%	0.288	S	S	.	.	H	α-helix	trans	-66.7	-48.4	176.9	0	0	0	0	0	112.2	S180 T184 K185 D186	S180-A182 PolarHBondContact O-N 3.27Å; S180-A182 VanDerWaalsContact O-N 3.17Å; A182-T184 VanDerWaalsContact C-N 3.26Å; A182-T184 PolarHBondContact O-N 3.04Å; A182-K185 WeakPolarHBondContact O-CA 3.46Å; A182-K185 WeakPolarHBondContact O-CB 3.42Å; A182-K185 PolarHBondContact O-N 2.74Å; A182-D186 PolarHBondContact O-N 2.62Å
183	E	98.4	Very high	97.4	Very high	99 Å²	99	49.6 Å²	49.6	46%	0.463	28%	0.284	S	S	.	.	H	α-helix	trans	-63	-33.8	175.7	-67	161.2	125.2	0	0	111.8	L179 S180 K185 D186 L187	L179-E183 HydrophobicContact CB-CB 4.02Å; L179-E183 HydrophobicContact CD2-CB 4.31Å; S180-E183 WeakPolarHBondContact CB-OE2 3.37Å; S180-E183 PolarHBondContact N-OE2 2.92Å; S180-E183 PolarHBondContact O-N 3.11Å; S180-E183 VanDerWaalsContact O-N 3.14Å; S180-E183 WeakPolarHBondContact OG-CG 3.42Å; S180-E183 PolarHBondContact OG-N 2.78Å; S180-E183 PolarHBondContact OG-OE2 2.99Å; E183-K185 VanDerWaalsContact C-N 3.35Å; E183-D186 PolarHBondContact O-N 3.13Å; E183-L187 WeakPolarHBondContact O-CB 3.48Å; E183-L187 PolarHBondContact O-N 2.88Å; E183-L187 VanDerWaalsContact O-N 3.09Å
184	T	98.1	Very high	97.5	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-61.4	-41.2	170.1	-60.5	0	0	0	0	112	L150 S180 P181 A182 L187 Y188 M191 I193 L196 T199	L150-T184 HydrophobicContact CD2-CG2 4.21Å; S180-T184 PolarHBondContact O-N 3.01Å; S180-T184 PolarHBondContact O-OG1 3.43Å; S180-T184 VanDerWaalsContact O-OG1 3.11Å; P181-T184 WeakPolarHBondContact O-CB 3.19Å; P181-T184 PolarHBondContact O-N 3.42Å; A182-T184 VanDerWaalsContact C-N 3.26Å; A182-T184 PolarHBondContact O-N 3.04Å; T184-L187 PolarHBondContact O-N 3.33Å; T184-Y188 PolarHBondContact O-N 2.97Å; T184-M191 HydrophobicContact CG2-SD 3.69Å; T184-I193 HydrophobicContact CG2-CG2 4.22Å; T184-L196 HydrophobicContact CG2-CD1 4.34Å; T184-T199 HydrophobicContact CG2-CG2 3.59Å; T184-T199 WeakPolarHBondContact OG1-CG2 3.44Å; T184-T199 PolarHBondContact OG1-OG1 3.12Å
185	K	97.6	Very high	97.5	Very high	78 Å²	78	55.4 Å²	55.4	34%	0.339	30%	0.299	S	S	.	.	H	α-helix	trans	-69	-38	178.7	-170.7	61.8	164.5	178.1	0	112.2	P181 A182 E183 L187 Y188 P189 M191 I193	P181-K185 PolarHBondContact O-N 3.01Å; A182-K185 WeakPolarHBondContact O-CA 3.46Å; A182-K185 WeakPolarHBondContact O-CB 3.42Å; A182-K185 PolarHBondContact O-N 2.74Å; E183-K185 VanDerWaalsContact C-N 3.35Å; K185-L187 VanDerWaalsContact C-N 3.32Å; K185-Y188 CarbonylContact O-C 3.57Å; K185-Y188 PolarHBondContact O-N 3.03Å; K185-P189 VanDerWaalsContact CE-O 3.27Å; K185-P189 WeakPolarHBondContact CE-O 3.45Å; K185-P189 PolarHBondContact NZ-O 3.27Å; K185-P189 WeakPolarHBondContact O-CA 3.1Å; K185-P189 VanDerWaalsContact O-N 3.09Å; K185-M191 WeakPolarHBondContact CD-O 3.22Å; K185-M191 PolarHBondContact NZ-O 3.26Å; K185-I193 HydrophobicContact CB-CD1 4.01Å; K185-I193 HydrophobicContact CB-CG1 4.4Å; K185-I193 HydrophobicContact CB-CG2 4.04Å; K185-I193 HydrophobicContact CD-CG1 4.42Å; K185-I193 HydrophobicContact CD-CG2 4.22Å; K185-I193 HydrophobicContact CG-CD1 4.43Å
186	D	97.1	Very high	97.5	Very high	133 Å²	133	52.9 Å²	52.9	71%	0.711	29%	0.288	S	S	*	.	H	α-helix	trans	-64.2	-38.4	174.5	-68.1	-24.1	0	0	0	111.5	A182 E183	A182-D186 PolarHBondContact O-N 2.62Å; E183-D186 PolarHBondContact O-N 3.13Å
187	L	96.8	Very high	97.5	Very high	51 Å²	51	58.8 Å²	58.8	27%	0.267	31%	0.309	S	S	.	.	H	α-helix	trans	-75.6	-33.1	176.4	-179.1	61.5	0	0	0	113.6	L150 L179 E183 T184 K185 Y201 P305	L150-L187 HydrophobicContact CD1-CD2 4.31Å; L179-L187 HydrophobicContact CD1-CD2 3.74Å; E183-L187 WeakPolarHBondContact O-CB 3.48Å; E183-L187 PolarHBondContact O-N 2.88Å; E183-L187 VanDerWaalsContact O-N 3.09Å; T184-L187 PolarHBondContact O-N 3.33Å; K185-L187 VanDerWaalsContact C-N 3.32Å; L187-Y201 HydrophobicContact CD1-CE1 4.43Å; L187-Y201 HydrophobicContact CD2-CD1 3.78Å; L187-Y201 HydrophobicContact CD2-CD2 3.73Å; L187-Y201 HydrophobicContact CD2-CE1 3.95Å; L187-Y201 HydrophobicContact CD2-CE2 3.93Å; L187-Y201 HydrophobicContact CD2-CG 3.66Å; L187-P305 HydrophobicContact CD1-CG 4.15Å; L187-P305 HydrophobicContact CD2-CG 4.05Å; L187-P305 HydrophobicContact CG-CG 4.03Å
188	Y	97.4	Very high	97.5	Very high	2 Å²	2	53.6 Å²	53.6	1%	0.008	29%	0.289	C	S	.	.			trans	-134.6	77.8	-178.7	-154.4	-60.1	0	0	0	110.6	L150 T184 K185 L190 M191 I301 M304 P305 V307 V365	L150-Y188 HydrophobicContact CD2-CD2 4.2Å; T184-Y188 PolarHBondContact O-N 2.97Å; K185-Y188 CarbonylContact O-C 3.57Å; K185-Y188 PolarHBondContact O-N 3.03Å; Y188-L190 HydrophobicContact CD1-CB 4.38Å; Y188-L190 HydrophobicContact CE1-CB 4.23Å; Y188-L190 PolarHBondContact O-N 3.44Å; Y188-M191 HydrophobicContact CD1-CB 3.61Å; Y188-M191 HydrophobicContact CD1-CE 4.15Å; Y188-M191 HydrophobicContact CD2-CE 3.94Å; Y188-M191 HydrophobicContact CE1-CB 4.33Å; Y188-M191 HydrophobicContact CE1-CE 4.36Å; Y188-M191 HydrophobicContact CE2-CE 4.19Å; Y188-M191 HydrophobicContact CG-CB 4.04Å; Y188-M191 HydrophobicContact CG-CE 3.91Å; Y188-M191 VanDerWaalsContact O-CB 3.26Å; Y188-M191 WeakPolarHBondContact O-CB 3.43Å; Y188-M191 PolarHBondContact O-N 2.86Å; Y188-I301 HydrophobicContact CE1-CD1 3.76Å; Y188-I301 WeakPolarHBondContact OH-CD1 3.1Å; Y188-M304 HydrophobicContact CD1-SD 3.48Å; Y188-M304 WeakPolarHBondContact CD1-SD 3.24Å; Y188-M304 HydrophobicContact CD2-CB 3.83Å; Y188-M304 HydrophobicContact CD2-CG 4.41Å; Y188-M304 HydrophobicContact CD2-SD 4.06Å; Y188-M304 HydrophobicContact CE1-SD 3.67Å; Y188-M304 HydrophobicContact CE2-CB 3.8Å; Y188-M304 HydrophobicContact CE2-SD 4.19Å; Y188-M304 HydrophobicContact CG-CB 4.41Å; Y188-M304 HydrophobicContact CG-SD 3.72Å; Y188-P305 WeakPolarHBondContact CE2-O 3.17Å; Y188-V307 HydrophobicContact CD2-CG2 4.05Å; Y188-V307 HydrophobicContact CE2-CG2 3.36Å; Y188-V365 HydrophobicContact CE1-CG2 4.02Å
189	P	96.3	Very high	97.5	Very high	72 Å²	72	51.4 Å²	51.4	47%	0.468	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-28.3	-173.7	-31.5	37.1	0	0	0	116.1	K185 M191	K185-P189 VanDerWaalsContact CE-O 3.27Å; K185-P189 WeakPolarHBondContact CE-O 3.45Å; K185-P189 PolarHBondContact NZ-O 3.27Å; K185-P189 WeakPolarHBondContact O-CA 3.1Å; K185-P189 VanDerWaalsContact O-N 3.09Å; P189-M191 VanDerWaalsContact C-N 3.3Å; P189-M191 PolarHBondContact O-N 2.91Å
190	L	95.9	Very high	97.5	Very high	52 Å²	52	50.3 Å²	50.3	27%	0.272	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-6.7	177.8	-65.1	-178	0	0	0	114	Y188 I298 I301 M304 V365	Y188-L190 HydrophobicContact CD1-CB 4.38Å; Y188-L190 HydrophobicContact CE1-CB 4.23Å; Y188-L190 PolarHBondContact O-N 3.44Å; L190-I298 HydrophobicContact CD1-CG2 4.07Å; L190-I301 HydrophobicContact CD1-CB 4.06Å; L190-I301 HydrophobicContact CD1-CD1 3.82Å; L190-M304 HydrophobicContact CG-CE 4.45Å; L190-V365 HydrophobicContact CB-CG1 4.24Å
191	M	96.9	Very high	97.6	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.262	C	S	.	.	S	Bend	trans	-78.5	137.4	-175.7	-175.7	163.2	-69.3	0	0	111.9	L150 I152 T184 K185 Y188 P189 I193 L196 V307 R364	L150-M191 HydrophobicContact CD2-CE 3.86Å; L150-M191 HydrophobicContact CD2-SD 4.16Å; I152-M191 HydrophobicContact CD1-CE 3.92Å; I152-M191 HydrophobicContact CD1-SD 3.75Å; T184-M191 HydrophobicContact CG2-SD 3.69Å; K185-M191 WeakPolarHBondContact CD-O 3.22Å; K185-M191 PolarHBondContact NZ-O 3.26Å; Y188-M191 HydrophobicContact CD1-CB 3.61Å; Y188-M191 HydrophobicContact CD1-CE 4.15Å; Y188-M191 HydrophobicContact CD2-CE 3.94Å; Y188-M191 HydrophobicContact CE1-CB 4.33Å; Y188-M191 HydrophobicContact CE1-CE 4.36Å; Y188-M191 HydrophobicContact CE2-CE 4.19Å; Y188-M191 HydrophobicContact CG-CB 4.04Å; Y188-M191 HydrophobicContact CG-CE 3.91Å; Y188-M191 VanDerWaalsContact O-CB 3.26Å; Y188-M191 WeakPolarHBondContact O-CB 3.43Å; Y188-M191 PolarHBondContact O-N 2.86Å; P189-M191 VanDerWaalsContact C-N 3.3Å; P189-M191 PolarHBondContact O-N 2.91Å; M191-I193 HydrophobicContact CG-CG2 4.28Å; M191-L196 HydrophobicContact SD-CD1 4.33Å; M191-V307 HydrophobicContact CE-CB 4.46Å; M191-V307 HydrophobicContact CE-CG1 3.95Å; M191-V307 HydrophobicContact CE-CG2 3.61Å; M191-R364 CarbonylContact C-O 3.58Å; M191-R364 VanDerWaalsContact CA-O 3.24Å; M191-R364 WeakPolarHBondContact CA-O 3.34Å
192	N	97.9	Very high	97.6	Very high	32 Å²	32	48.5 Å²	48.5	17%	0.171	25%	0.252	C	S	.	.			trans	-75	129.9	161.2	-172.9	12	0	0	0	109.9	D194 N363 R364 P366	N192-D194 WeakPolarHBondContact OD1-CB 3.22Å; N192-D194 PolarHBondContact OD1-N 2.83Å; N192-D194 VanDerWaalsContact OD1-N 3.11Å; N192-N363 WeakPolarHBondContact CB-O 3.49Å; N192-N363 PolarHBondContact ND2-OD1 3.24Å; N192-R364 PolarHBondContact N-O 2.96Å; N192-R364 PolarHBondContact O-NH1 2.97Å; N192-R364 VanDerWaalsContact O-NH1 3.08Å; N192-P366 HydrophobicContact CB-CG 4.21Å
193	I	97.9	Very high	97.5	Very high	33 Å²	33	46.7 Å²	46.7	17%	0.169	24%	0.235	C	C	.	.			trans	-118	-3.1	-177	61.2	146	0	0	0	113.3	P181 T184 K185 M191 D195 L196	P181-I193 HydrophobicContact CB-CB 4.14Å; P181-I193 HydrophobicContact CB-CD1 4Å; P181-I193 WeakPolarHBondContact O-CD1 3.41Å; T184-I193 HydrophobicContact CG2-CG2 4.22Å; K185-I193 HydrophobicContact CB-CD1 4.01Å; K185-I193 HydrophobicContact CB-CG1 4.4Å; K185-I193 HydrophobicContact CB-CG2 4.04Å; K185-I193 HydrophobicContact CD-CG1 4.42Å; K185-I193 HydrophobicContact CD-CG2 4.22Å; K185-I193 HydrophobicContact CG-CD1 4.43Å; M191-I193 HydrophobicContact CG-CG2 4.28Å; I193-D195 VanDerWaalsContact C-N 3.25Å; I193-D195 PolarHBondContact O-N 2.97Å; I193-L196 HydrophobicContact CB-CD1 4.29Å; I193-L196 HydrophobicContact CG2-CD1 4.14Å; I193-L196 WeakPolarHBondContact O-CB 3.39Å; I193-L196 PolarHBondContact O-N 2.86Å; I193-L196 VanDerWaalsContact O-N 3.07Å
194	D	97.6	Very high	97.4	Very high	146 Å²	146	46.1 Å²	46.1	78%	0.781	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-25.3	-165.6	-68.1	-1.9	0	0	0	113.6	N192	N192-D194 WeakPolarHBondContact OD1-CB 3.22Å; N192-D194 PolarHBondContact OD1-N 2.83Å; N192-D194 VanDerWaalsContact OD1-N 3.11Å
195	D	96.3	Very high	97.4	Very high	62 Å²	62	46.1 Å²	46.1	33%	0.332	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.6	8.6	178.4	64.3	-12.4	0	0	0	113.3	I193 N363 R364	I193-D195 VanDerWaalsContact C-N 3.25Å; I193-D195 PolarHBondContact O-N 2.97Å; D195-N363 PolarHBondContact OD2-ND2 3.29Å; D195-R364 IonicContact OD1-CZ 2.76Å; D195-R364 VanDerWaalsContact OD1-CZ 3.3Å; D195-R364 IonicContact OD1-NH1 3.73Å; D195-R364 PolarHBondContact OD1-NH1 2.96Å; D195-R364 IonicContact OD1-NH2 3.74Å; D195-R364 PolarHBondContact OD1-NH2 3.38Å; D195-R364 IonicContact OD2-CZ 2.69Å; D195-R364 IonicContact OD2-NH1 3.15Å; D195-R364 IonicContact OD2-NH2 3.56Å; D195-R364 PolarHBondContact OD2-NH2 3.01Å
196	L	97.3	Very high	97.3	Very high	15 Å²	15	42.5 Å²	42.5	8%	0.079	22%	0.215	C	C	.	.			trans	-89.5	135.7	-177.2	-58.8	-170.4	0	0	0	112.7	I152 P181 T184 M191 I193 T199	I152-L196 HydrophobicContact CG2-CD1 4.2Å; I152-L196 HydrophobicContact CG2-CD2 3.27Å; I152-L196 HydrophobicContact CG2-CG 4.38Å; P181-L196 HydrophobicContact CB-CB 4.48Å; P181-L196 HydrophobicContact CG-CB 4.25Å; P181-L196 WeakPolarHBondContact CG-O 3.2Å; T184-L196 HydrophobicContact CG2-CD1 4.34Å; M191-L196 HydrophobicContact SD-CD1 4.33Å; I193-L196 HydrophobicContact CB-CD1 4.29Å; I193-L196 HydrophobicContact CG2-CD1 4.14Å; I193-L196 WeakPolarHBondContact O-CB 3.39Å; I193-L196 PolarHBondContact O-N 2.86Å; I193-L196 VanDerWaalsContact O-N 3.07Å; L196-T199 HydrophobicContact CD1-CG2 4.15Å
197	Y	97.7	Very high	97.2	Very high	139 Å²	139	36.2 Å²	36.2	55%	0.545	18%	0.182	S	C	.	.	S	Bend	trans	-81.6	-23.2	164.9	-76.5	-107	0	0	0	111.4	A153 S154 K156	A153-Y197 PolarHBondContact O-N 3.44Å; S154-Y197 VanDerWaalsContact O-CD2 3.26Å; S154-Y197 WeakPolarHBondContact O-CD2 3.23Å; S154-Y197 VanDerWaalsContact O-CE2 3.26Å; S154-Y197 WeakPolarHBondContact O-CE2 3.35Å; K156-Y197 HydrophobicContact CB-CD1 4.27Å; K156-Y197 HydrophobicContact CB-CE1 4.13Å
198	G	97.8	Very high	97.1	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.01	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	156.1	-172.6	179.1	0	0	0	0	0	111.1	A153 L179	A153-G198 WeakPolarHBondContact CB-O 3.11Å; A153-G198 PolarHBondContact N-O 2.89Å; L179-G198 VanDerWaalsContact O-CA 3.22Å; L179-G198 WeakPolarHBondContact O-CA 3.09Å
199	T	98.3	Very high	97	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	161.3	176.5	58.7	0	0	0	0	111.4	L150 F151 I152 V178 L179 T184 L196	L150-T199 HydrophobicContact CD1-CG2 4.23Å; L150-T199 WeakPolarHBondContact CD1-OG1 3.33Å; L150-T199 HydrophobicContact CG-CG2 4.39Å; F151-T199 CarbonylContact O-C 3.53Å; F151-T199 WeakPolarHBondContact O-CA 3.47Å; F151-T199 VanDerWaalsContact O-CB 3.24Å; F151-T199 WeakPolarHBondContact O-CB 3.38Å; I152-T199 HydrophobicContact CD1-CG2 3.6Å; V178-T199 CarbonylContact C-O 3.57Å; V178-T199 VanDerWaalsContact CA-O 3.3Å; V178-T199 WeakPolarHBondContact CA-O 3.4Å; L179-T199 PolarHBondContact N-O 2.66Å; L179-T199 PolarHBondContact O-N 3.31Å; T184-T199 HydrophobicContact CG2-CG2 3.59Å; T184-T199 WeakPolarHBondContact OG1-CG2 3.44Å; T184-T199 PolarHBondContact OG1-OG1 3.12Å; L196-T199 HydrophobicContact CD1-CG2 4.15Å
200	L	98.4	Very high	96.8	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	117.2	166.5	168.5	70.7	0	0	0	109.1	L113 F151 Y162 L165 M166 Y177 V178	L113-L200 HydrophobicContact CD1-CD1 4.39Å; L113-L200 HydrophobicContact CD1-CD2 4.01Å; F151-L200 HydrophobicContact CB-CB 4.12Å; F151-L200 WeakPolarHBondContact CD2-O 3.42Å; F151-L200 PolarHBondContact N-O 3.45Å; F151-L200 PolarHBondContact O-N 3.07Å; Y162-L200 HydrophobicContact CD1-CD2 4.44Å; Y162-L200 HydrophobicContact CD2-CB 3.82Å; Y162-L200 HydrophobicContact CG-CB 3.92Å; Y162-L200 HydrophobicContact CG-CD2 4.17Å; L165-L200 HydrophobicContact CB-CD2 3.99Å; L165-L200 HydrophobicContact CD1-CD2 4.21Å; M166-L200 HydrophobicContact CB-CD1 4.17Å; Y177-L200 WeakPolarHBondContact O-CA 3.24Å; V178-L200 HydrophobicContact CG2-CD1 4.17Å
201	Y	98.6	Very high	96.7	Very high	44 Å²	44	32 Å²	32	17%	0.173	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	132	178.5	176.3	-132	0	0	0	110.7	G149 L150 S176 Y177 L179 L187 P203 P305	G149-Y201 WeakPolarHBondContact O-CA 3.38Å; G149-Y201 WeakPolarHBondContact O-CD2 3.38Å; L150-Y201 HydrophobicContact CD1-CD2 4.39Å; S176-Y201 CarbonylContact C-O 3.31Å; S176-Y201 VanDerWaalsContact CA-O 3.24Å; S176-Y201 WeakPolarHBondContact CA-O 3.28Å; Y177-Y201 HydrophobicContact CD2-CD1 4.2Å; Y177-Y201 PolarHBondContact N-O 3.12Å; Y177-Y201 PolarHBondContact O-N 3.46Å; L179-Y201 HydrophobicContact CD1-CD1 4.36Å; L179-Y201 HydrophobicContact CD1-CG 4.29Å; L187-Y201 HydrophobicContact CD1-CE1 4.43Å; L187-Y201 HydrophobicContact CD2-CD1 3.78Å; L187-Y201 HydrophobicContact CD2-CD2 3.73Å; L187-Y201 HydrophobicContact CD2-CE1 3.95Å; L187-Y201 HydrophobicContact CD2-CE2 3.93Å; L187-Y201 HydrophobicContact CD2-CG 3.66Å; Y201-P203 HydrophobicContact CD1-CG 4.09Å; Y201-P203 HydrophobicContact CE1-CB 4.03Å; Y201-P203 HydrophobicContact CE1-CG 3.63Å; Y201-P305 HydrophobicContact CD2-CB 4.45Å; Y201-P305 HydrophobicContact CD2-CG 4.09Å; Y201-P305 HydrophobicContact CE2-CB 4.12Å; Y201-P305 HydrophobicContact CE2-CG 3.55Å
202	V	98.4	Very high	96.5	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	100.8	175.7	-173.6	0	0	0	0	107.8	L113 G148 G149 F151 I174 K204 D205	L113-V202 HydrophobicContact CD1-CG2 3.81Å; L113-V202 HydrophobicContact CG-CG2 4.26Å; G148-V202 WeakPolarHBondContact CA-O 3.43Å; G149-V202 PolarHBondContact N-O 2.99Å; G149-V202 PolarHBondContact O-N 3.32Å; F151-V202 HydrophobicContact CE2-CG2 4.03Å; I174-V202 HydrophobicContact CG2-CG1 4.08Å; V202-K204 PolarHBondContact O-N 2.89Å; V202-D205 HydrophobicContact CB-CB 4.27Å; V202-D205 WeakPolarHBondContact CB-OD2 3.31Å; V202-D205 HydrophobicContact CG1-CB 4.25Å; V202-D205 VanDerWaalsContact CG1-CG 3.45Å; V202-D205 WeakPolarHBondContact CG1-OD1 3.43Å; V202-D205 PolarHBondContact O-N 3.22Å
203	P	97.5	Very high	96.4	Very high	22 Å²	22	31.3 Å²	31.3	14%	0.143	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-24.9	-171.8	-18.7	26.8	0	0	0	114.6	E175 Y177 Y201	E175-P203 HydrophobicContact CG-CG 4.24Å; E175-P203 WeakPolarHBondContact O-CD 3.32Å; Y177-P203 HydrophobicContact CD2-CG 4.1Å; Y177-P203 HydrophobicContact CE2-CG 3.77Å; Y201-P203 HydrophobicContact CD1-CG 4.09Å; Y201-P203 HydrophobicContact CE1-CB 4.03Å; Y201-P203 HydrophobicContact CE1-CG 3.63Å
204	K	96.4	Very high	96.3	Very high	87 Å²	87	29.8 Å²	29.8	38%	0.378	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-0.7	-174	-71.3	168.6	176.5	148.9	0	114.2	Q112 R127 E175 V202	Q112-K204 VanDerWaalsContact NE2-C 3.29Å; Q112-K204 PolarHBondContact NE2-O 3.4Å; R127-K204 PolarHBondContact NE-O 3.36Å; E175-K204 VanDerWaalsContact OE2-CE 3.28Å; E175-K204 WeakPolarHBondContact OE2-CE 3.47Å; E175-K204 IonicContact OE2-NZ 3.93Å; E175-K204 PolarHBondContact OE2-NZ 2.82Å; V202-K204 PolarHBondContact O-N 2.89Å
205	D	97.4	Very high	96.1	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.13	C	C	.	.			trans	-72.6	173.7	169	-76.6	0.3	0	0	0	110.9	L110 W111 Q112 G148 V202	L110-D205 WeakPolarHBondContact O-CB 3.15Å; W111-D205 VanDerWaalsContact CA-OD2 3.29Å; W111-D205 WeakPolarHBondContact CA-OD2 3.28Å; Q112-D205 VanDerWaalsContact CB-OD1 3.29Å; Q112-D205 WeakPolarHBondContact CB-OD1 3.22Å; Q112-D205 WeakPolarHBondContact CG-OD1 3.39Å; Q112-D205 PolarHBondContact N-OD1 3.41Å; Q112-D205 PolarHBondContact N-OD2 3.26Å; Q112-D205 PolarHBondContact NE2-OD1 3.01Å; G148-D205 WeakPolarHBondContact CA-O 2.99Å; G148-D205 PolarHBondContact N-O 2.88Å; V202-D205 HydrophobicContact CB-CB 4.27Å; V202-D205 WeakPolarHBondContact CB-OD2 3.31Å; V202-D205 HydrophobicContact CG1-CB 4.25Å; V202-D205 VanDerWaalsContact CG1-CG 3.45Å; V202-D205 WeakPolarHBondContact CG1-OD1 3.43Å; V202-D205 PolarHBondContact O-N 3.22Å
206	G	95.9	Very high	96.1	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.01	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.9	-157.2	-174	0	0	0	0	0	115	L110 W144 I145	L110-G206 PolarHBondContact N-O 2.77Å; L110-G206 PolarHBondContact O-N 2.9Å; W144-G206 VanDerWaalsContact CH2-CA 3.49Å; I145-G206 WeakPolarHBondContact O-CA 3.36Å
207	T	95.1	Very high	96.1	Very high	2 Å²	2	22 Å²	22	1%	0.012	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	151.7	179.7	58.2	0	0	0	0	112.3	G108 L109 W144 I145 R317	G108-T207 CarbonylContact O-C 3.58Å; G108-T207 WeakPolarHBondContact O-CA 3.37Å; L109-T207 HydrophobicContact CD2-CG2 3.61Å; L109-T207 HydrophobicContact CG-CG2 4.15Å; W144-T207 CarbonylContact C-O 3.53Å; W144-T207 WeakPolarHBondContact CA-O 3.23Å; W144-T207 VanDerWaalsContact CE3-O 3.23Å; I145-T207 PolarHBondContact N-O 3Å; I145-T207 PolarHBondContact O-N 3.36Å; T207-R317 HydrophobicContact CG2-CG 3.88Å
208	M	94.9	Very high	96.1	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.005	9%	0.088	C	C	.	.			trans	-117.8	163.2	168.1	71.3	-159.2	85.7	0	0	111.4	G108 L110 I130 W144 P210 T213 M411	G108-M208 PolarHBondContact O-N 3.44Å; L110-M208 HydrophobicContact CB-CE 4.03Å; L110-M208 HydrophobicContact CD1-CE 4.15Å; I130-M208 HydrophobicContact CD1-CB 4.41Å; I130-M208 HydrophobicContact CD1-CE 3.5Å; I130-M208 VanDerWaalsContact CD1-CE 3.5Å; I130-M208 HydrophobicContact CD1-SD 4Å; I130-M208 HydrophobicContact CG2-SD 3.91Å; W144-M208 HydrophobicContact CE3-CB 4.23Å; M208-P210 WeakPolarHBondContact O-CD 3.45Å; M208-T213 HydrophobicContact SD-CG2 4.41Å; M208-M411 HydrophobicContact CE-CB 4.36Å; M208-M411 HydrophobicContact CG-CE 3.91Å; M208-M411 HydrophobicContact SD-CB 4.18Å; M208-M411 HydrophobicContact SD-CE 3.39Å; M208-M411 WeakPolarHBondContact SD-CE 3.39Å
209	D	93.9	Very high	96	Very high	70 Å²	70	22.5 Å²	22.5	37%	0.374	11%	0.113	S	C	.	.			trans	-82.3	116.6	165.8	170.3	26.6	0	0	0	109.4	T142 A211 G212 T213	T142-D209 PolarHBondContact O-N 2.81Å; D209-A211 PolarHBondContact O-N 3.48Å; D209-A211 PolarHBondContact OD1-N 2.84Å; D209-G212 WeakPolarHBondContact OD2-CA 3.43Å; D209-G212 PolarHBondContact OD2-N 3.21Å; D209-T213 WeakPolarHBondContact O-CB 3.29Å; D209-T213 PolarHBondContact O-N 2.95Å; D209-T213 PolarHBondContact O-OG1 3.12Å
210	P	93.5	Very high	95.9	Very high	5 Å²	5	22.7 Å²	22.7	3%	0.032	12%	0.115	C	C	.	.	H	α-helix	trans	-59.8	-42.9	-179.3	-21.9	33.7	0	0	0	113.1	T103 T106 M208 C214 M411	T103-P210 HydrophobicContact CG2-CB 4.4Å; T103-P210 WeakPolarHBondContact O-CB 3.36Å; T106-P210 HydrophobicContact CG2-CB 3.77Å; T106-P210 HydrophobicContact CG2-CG 3.47Å; T106-P210 VanDerWaalsContact CG2-CG 3.47Å; M208-P210 WeakPolarHBondContact O-CD 3.45Å; P210-C214 PolarHBondContact O-N 2.7Å; P210-C214 VanDerWaalsContact O-N 3.12Å; P210-C214 PolarHBondContact O-SG 3.45Å; P210-M411 HydrophobicContact CB-CE 4.31Å; P210-M411 HydrophobicContact CB-CG 4.27Å; P210-M411 HydrophobicContact CB-SD 3.99Å
211	A	92.2	Very high	95.9	Very high	13 Å²	13	22.7 Å²	22.7	11%	0.107	12%	0.115	C	C	.	.	H	α-helix	trans	-74.5	-46.5	-173.6	0	0	0	0	0	111.6	D209 C214 T215	D209-A211 PolarHBondContact O-N 3.48Å; D209-A211 PolarHBondContact OD1-N 2.84Å; A211-C214 PolarHBondContact O-N 3.46Å; A211-T215 WeakPolarHBondContact O-CB 3.29Å; A211-T215 PolarHBondContact O-N 2.89Å; A211-T215 PolarHBondContact O-OG1 3.1Å
212	G	92.8	Very high	95.8	Very high	17 Å²	17	23.3 Å²	23.3	18%	0.175	12%	0.123	C	C	.	.	H	α-helix	trans	-59.5	-44.2	172.8	0	0	0	0	0	112.4	D209 C214 T215 T216	D209-G212 WeakPolarHBondContact OD2-CA 3.43Å; D209-G212 PolarHBondContact OD2-N 3.21Å; G212-C214 PolarHBondContact O-N 3Å; G212-T215 PolarHBondContact O-N 3.19Å; G212-T216 WeakPolarHBondContact O-CB 3.35Å; G212-T216 PolarHBondContact O-N 3.23Å; G212-T216 PolarHBondContact O-OG1 2.93Å
213	T	95.7	Very high	95.7	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-59	-48.6	176.7	-61.1	0	0	0	0	111.8	I130 L134 T142 M208 D209 T215 T216 L217 M411	I130-T213 HydrophobicContact CG2-CG2 4.2Å; L134-T213 HydrophobicContact CD1-CG2 4.48Å; T142-T213 PolarHBondContact O-OG1 3.42Å; M208-T213 HydrophobicContact SD-CG2 4.41Å; D209-T213 WeakPolarHBondContact O-CB 3.29Å; D209-T213 PolarHBondContact O-N 2.95Å; D209-T213 PolarHBondContact O-OG1 3.12Å; T213-T215 PolarHBondContact O-N 3.28Å; T213-T216 PolarHBondContact O-N 2.97Å; T213-L217 HydrophobicContact CG2-CD1 3.92Å; T213-L217 WeakPolarHBondContact O-CD1 3.37Å; T213-L217 VanDerWaalsContact O-CG 3.31Å; T213-L217 WeakPolarHBondContact O-CG 3.37Å; T213-L217 PolarHBondContact O-N 3.31Å; T213-M411 HydrophobicContact CG2-CE 3.87Å
214	C	96.3	Very high	95.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-64.7	-39	178.5	-61.4	0	0	0	0	112.5	C76 T99 T103 P210 A211 G212 T216 L217 S218	C76-C214 HydrophobicContact CB-CB 4.36Å; T99-C214 HydrophobicContact CG2-CB 3.44Å; T99-C214 VanDerWaalsContact CG2-CB 3.44Å; T103-C214 VanDerWaalsContact CG2-SG 3.54Å; P210-C214 PolarHBondContact O-N 2.7Å; P210-C214 VanDerWaalsContact O-N 3.12Å; P210-C214 PolarHBondContact O-SG 3.45Å; A211-C214 PolarHBondContact O-N 3.46Å; G212-C214 PolarHBondContact O-N 3Å; C214-T216 PolarHBondContact O-N 2.8Å; C214-L217 PolarHBondContact O-N 3.43Å; C214-S218 WeakPolarHBondContact O-CB 3.29Å; C214-S218 PolarHBondContact O-N 3.1Å; C214-S218 PolarHBondContact O-OG 2.9Å
215	T	93.8	Very high	95.7	Very high	56 Å²	56	29.5 Å²	29.5	34%	0.344	17%	0.174	S	C	.	.	H	α-helix	trans	-60.9	-44.9	175.3	-58.9	0	0	0	0	111.2	A211 G212 T213 R219	A211-T215 WeakPolarHBondContact O-CB 3.29Å; A211-T215 PolarHBondContact O-N 2.89Å; A211-T215 PolarHBondContact O-OG1 3.1Å; G212-T215 PolarHBondContact O-N 3.19Å; T213-T215 PolarHBondContact O-N 3.28Å; T215-R219 WeakPolarHBondContact O-CB 3.19Å; T215-R219 VanDerWaalsContact O-CG 3.31Å; T215-R219 WeakPolarHBondContact O-CG 3.42Å; T215-R219 PolarHBondContact O-N 3.46Å
216	T	96.3	Very high	95.7	Very high	4 Å²	4	29.6 Å²	29.6	3%	0.025	17%	0.174	C	C	.	.	H	α-helix	trans	-68	-42	179.7	-59.9	0	0	0	0	112	L134 T138 L140 G212 T213 C214 R219 A220	L134-T216 HydrophobicContact CB-CG2 3.86Å; L134-T216 HydrophobicContact CD1-CG2 4.46Å; L134-T216 HydrophobicContact CD2-CG2 4.25Å; L134-T216 HydrophobicContact CG-CG2 4.41Å; T138-T216 HydrophobicContact CG2-CG2 3.96Å; T138-T216 VanDerWaalsContact OG1-CG2 3.26Å; T138-T216 WeakPolarHBondContact OG1-CG2 3.16Å; L140-T216 HydrophobicContact CB-CG2 3.95Å; L140-T216 HydrophobicContact CD1-CG2 4.39Å; G212-T216 WeakPolarHBondContact O-CB 3.35Å; G212-T216 PolarHBondContact O-N 3.23Å; G212-T216 PolarHBondContact O-OG1 2.93Å; T213-T216 PolarHBondContact O-N 2.97Å; C214-T216 PolarHBondContact O-N 2.8Å; T216-R219 PolarHBondContact O-N 3.41Å; T216-A220 WeakPolarHBondContact O-CB 3.42Å; T216-A220 PolarHBondContact O-N 3.39Å
217	L	97.9	Very high	95.9	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-57.2	-51.1	172.8	-75.6	161.6	0	0	0	112.3	C76 Q77 Y80 V129 L134 T213 C214 R219 A220 A221	C76-L217 HydrophobicContact CB-CB 3.95Å; C76-L217 HydrophobicContact CB-CD1 4.1Å; Q77-L217 VanDerWaalsContact CD-CD1 3.47Å; Q77-L217 HydrophobicContact CG-CD1 3.78Å; Q77-L217 VanDerWaalsContact OE1-CD2 3.23Å; Y80-L217 HydrophobicContact CD1-CD2 3.37Å; Y80-L217 HydrophobicContact CD2-CD2 4.26Å; Y80-L217 HydrophobicContact CE1-CD2 4.05Å; Y80-L217 HydrophobicContact CG-CD2 3.49Å; Y80-L217 VanDerWaalsContact CG-CD2 3.49Å; V129-L217 HydrophobicContact CG1-CD2 4.45Å; L134-L217 HydrophobicContact CD1-CD2 3.9Å; L134-L217 HydrophobicContact CD1-CG 3.88Å; L134-L217 HydrophobicContact CD2-CD2 3.84Å; L134-L217 HydrophobicContact CD2-CG 4.26Å; L134-L217 HydrophobicContact CG-CD2 4.43Å; T213-L217 HydrophobicContact CG2-CD1 3.92Å; T213-L217 WeakPolarHBondContact O-CD1 3.37Å; T213-L217 VanDerWaalsContact O-CG 3.31Å; T213-L217 WeakPolarHBondContact O-CG 3.37Å; T213-L217 PolarHBondContact O-N 3.31Å; C214-L217 PolarHBondContact O-N 3.43Å; L217-R219 VanDerWaalsContact C-N 3.32Å; L217-R219 PolarHBondContact O-N 2.88Å; L217-A220 PolarHBondContact O-N 2.62Å; L217-A221 WeakPolarHBondContact O-CB 3.39Å; L217-A221 PolarHBondContact O-N 3.12Å
218	S	96.3	Very high	96	Very high	7 Å²	7	32 Å²	32	5%	0.049	19%	0.189	C	C	.	.	H	α-helix	trans	-63.1	-37.1	178.7	-71.2	0	0	0	0	112.3	C76 L98 C214 A221 T222	C76-S218 PolarHBondContact SG-OG 3.3Å; L98-S218 WeakPolarHBondContact CD1-OG 3.39Å; C214-S218 WeakPolarHBondContact O-CB 3.29Å; C214-S218 PolarHBondContact O-N 3.1Å; C214-S218 PolarHBondContact O-OG 2.9Å; S218-A221 PolarHBondContact O-N 3.02Å; S218-T222 WeakPolarHBondContact O-CB 3.27Å; S218-T222 PolarHBondContact O-N 3.41Å; S218-T222 PolarHBondContact O-OG1 2.7Å
219	R	95.6	Very high	96.2	Very high	143 Å²	143	32 Å²	32	54%	0.54	19%	0.189	S	C	.	.	H	α-helix	trans	-64.2	-45.8	173.5	-76.7	175.8	177.1	-172.3	-1.1	112	L140 T215 T216 L217 A221 T222 A223	L140-R219 VanDerWaalsContact CD1-CD 3.43Å; L140-R219 VanDerWaalsContact CD1-NH1 3.29Å; T215-R219 WeakPolarHBondContact O-CB 3.19Å; T215-R219 VanDerWaalsContact O-CG 3.31Å; T215-R219 WeakPolarHBondContact O-CG 3.42Å; T215-R219 PolarHBondContact O-N 3.46Å; T216-R219 PolarHBondContact O-N 3.41Å; L217-R219 VanDerWaalsContact C-N 3.32Å; L217-R219 PolarHBondContact O-N 2.88Å; R219-A221 VanDerWaalsContact C-N 3.32Å; R219-A221 PolarHBondContact O-N 2.86Å; R219-T222 PolarHBondContact O-N 3.5Å; R219-A223 VanDerWaalsContact O-CB 3.32Å; R219-A223 WeakPolarHBondContact O-CB 3.13Å; R219-A223 PolarHBondContact O-N 3.41Å
220	A	97	Very high	96.4	Very high	4 Å²	4	30.6 Å²	30.6	3%	0.033	18%	0.18	C	C	.	.	H	α-helix	trans	-61	-40.1	175.7	0	0	0	0	0	112.2	Y80 L134 T138 T216 L217 R224	Y80-A220 HydrophobicContact CD2-CB 3.7Å; Y80-A220 HydrophobicContact CE2-CB 3.86Å; L134-A220 HydrophobicContact CD2-CB 4.35Å; T138-A220 HydrophobicContact CG2-CB 3.74Å; T216-A220 WeakPolarHBondContact O-CB 3.42Å; T216-A220 PolarHBondContact O-N 3.39Å; L217-A220 PolarHBondContact O-N 2.62Å; A220-R224 WeakPolarHBondContact O-CG 3.21Å; A220-R224 PolarHBondContact O-N 2.94Å
221	A	98	Very high	96.6	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-66.1	-47.9	175.9	0	0	0	0	0	112.3	V79 A83 L217 S218 R219 R224 G225 V226	V79-A221 HydrophobicContact CB-CB 4.42Å; V79-A221 HydrophobicContact CG2-CB 3.93Å; A83-A221 HydrophobicContact CB-CB 4.44Å; L217-A221 WeakPolarHBondContact O-CB 3.39Å; L217-A221 PolarHBondContact O-N 3.12Å; S218-A221 PolarHBondContact O-N 3.02Å; R219-A221 VanDerWaalsContact C-N 3.32Å; R219-A221 PolarHBondContact O-N 2.86Å; A221-R224 CarbonylContact O-C 3.54Å; A221-R224 WeakPolarHBondContact O-CA 3.47Å; A221-R224 WeakPolarHBondContact O-CB 3.43Å; A221-R224 PolarHBondContact O-N 3.03Å; A221-R224 VanDerWaalsContact O-N 3.08Å; A221-G225 PolarHBondContact O-N 3.37Å; A221-V226 HydrophobicContact CB-CB 3.99Å; A221-V226 HydrophobicContact CB-CG1 4.4Å; A221-V226 HydrophobicContact CB-CG2 4.02Å; A221-V226 WeakPolarHBondContact O-CB 3.17Å; A221-V226 WeakPolarHBondContact O-CG2 3.13Å; A221-V226 PolarHBondContact O-N 3.25Å; A221-V226 VanDerWaalsContact O-N 3.12Å
222	T	97	Very high	96.8	Very high	56 Å²	56	32.4 Å²	32.4	34%	0.344	19%	0.188	S	C	.	.	H	α-helix	trans	-68.4	-33.6	179.2	-71.5	0	0	0	0	112.8	S218 R219 R224 G225 V226	S218-T222 WeakPolarHBondContact O-CB 3.27Å; S218-T222 PolarHBondContact O-N 3.41Å; S218-T222 PolarHBondContact O-OG1 2.7Å; R219-T222 PolarHBondContact O-N 3.5Å; T222-R224 PolarHBondContact O-N 2.89Å; T222-R224 VanDerWaalsContact O-N 3.16Å; T222-G225 PolarHBondContact O-N 3.14Å; T222-V226 WeakPolarHBondContact CA-O 3.41Å; T222-V226 WeakPolarHBondContact CB-O 3.47Å; T222-V226 PolarHBondContact OG1-O 3.33Å
223	A	96.6	Very high	97	Very high	91 Å²	91	33.6 Å²	33.6	75%	0.752	19%	0.192	S	C	*	.	H	α-helix	trans	-60.8	-21.6	171.2	0	0	0	0	0	113.1	R219	R219-A223 VanDerWaalsContact O-CB 3.32Å; R219-A223 WeakPolarHBondContact O-CB 3.13Å; R219-A223 PolarHBondContact O-N 3.41Å
224	R	97.1	Very high	97.2	Very high	106 Å²	106	34.6 Å²	34.6	40%	0.4	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	4.1	175	-65	174.4	-176.4	-74.4	-1.6	113.4	A83 T88 E137 A220 A221 T222	A83-R224 HydrophobicContact CB-CB 3.87Å; T88-R224 WeakPolarHBondContact CB-O 3.44Å; T88-R224 WeakPolarHBondContact CG2-O 3.19Å; E137-R224 IonicContact OE2-CZ 3.15Å; E137-R224 IonicContact OE2-NE 3.55Å; E137-R224 PolarHBondContact OE2-NE 2.79Å; E137-R224 IonicContact OE2-NH2 3.47Å; E137-R224 PolarHBondContact OE2-NH2 3.31Å; A220-R224 WeakPolarHBondContact O-CG 3.21Å; A220-R224 PolarHBondContact O-N 2.94Å; A221-R224 CarbonylContact O-C 3.54Å; A221-R224 WeakPolarHBondContact O-CA 3.47Å; A221-R224 WeakPolarHBondContact O-CB 3.43Å; A221-R224 PolarHBondContact O-N 3.03Å; A221-R224 VanDerWaalsContact O-N 3.08Å; T222-R224 PolarHBondContact O-N 2.89Å; T222-R224 VanDerWaalsContact O-N 3.16Å
225	G	96.6	Very high	97.2	Very high	43 Å²	43	38.2 Å²	38.2	44%	0.443	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	107.6	-4.6	173.8	0	0	0	0	0	116.5	A221 T222 T227	A221-G225 PolarHBondContact O-N 3.37Å; T222-G225 PolarHBondContact O-N 3.14Å; G225-T227 PolarHBondContact O-N 3.21Å
226	V	98.4	Very high	97.4	Very high	1 Å²	1	36 Å²	36	1%	0.006	21%	0.208	C	C	.	.			trans	-65.9	132.8	178	176.3	0	0	0	0	111.4	V79 A83 V90 A221 T222 V228	V79-V226 HydrophobicContact CB-CG1 3.94Å; V79-V226 HydrophobicContact CG1-CG1 4.28Å; V79-V226 HydrophobicContact CG2-CG1 4.3Å; A83-V226 HydrophobicContact CB-CG2 3.62Å; V90-V226 HydrophobicContact CB-CG1 4.32Å; V90-V226 HydrophobicContact CB-CG2 4.24Å; V90-V226 HydrophobicContact CG1-CG1 4.38Å; A221-V226 HydrophobicContact CB-CB 3.99Å; A221-V226 HydrophobicContact CB-CG1 4.4Å; A221-V226 HydrophobicContact CB-CG2 4.02Å; A221-V226 WeakPolarHBondContact O-CB 3.17Å; A221-V226 WeakPolarHBondContact O-CG2 3.13Å; A221-V226 PolarHBondContact O-N 3.25Å; A221-V226 VanDerWaalsContact O-N 3.12Å; T222-V226 WeakPolarHBondContact CA-O 3.41Å; T222-V226 WeakPolarHBondContact CB-O 3.47Å; T222-V226 PolarHBondContact OG1-O 3.33Å; V226-V228 HydrophobicContact CG1-CG2 4.35Å; V226-V228 PolarHBondContact O-N 3.06Å
227	T	98.4	Very high	97.6	Very high	46 Å²	46	36.3 Å²	36.3	28%	0.282	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	98.5	175.9	-58.5	0	0	0	0	110.6	K58 V90 A91 L92 G225 I229	K58-T227 HydrophobicContact CD-CG2 4.15Å; V90-T227 PolarHBondContact O-N 3.31Å; A91-T227 CarbonylContact C-O 3.52Å; A91-T227 VanDerWaalsContact CA-O 3.3Å; A91-T227 WeakPolarHBondContact CA-O 3.46Å; L92-T227 PolarHBondContact N-O 3.08Å; G225-T227 PolarHBondContact O-N 3.21Å; T227-I229 HydrophobicContact CG2-CD1 3.96Å; T227-I229 HydrophobicContact CG2-CG1 3.74Å
228	V	98.5	Very high	97.6	Very high	9 Å²	9	38.9 Å²	38.9	6%	0.055	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	128.1	167.7	-179.9	0	0	0	0	109.7	K58 L92 L98 V226	K58-V228 WeakPolarHBondContact CD-O 3.47Å; K58-V228 PolarHBondContact NZ-O 3.26Å; L92-V228 HydrophobicContact CB-CG2 4.2Å; L92-V228 HydrophobicContact CD2-CG1 4.18Å; L98-V228 HydrophobicContact CD1-CG1 4.45Å; L98-V228 HydrophobicContact CD2-CG1 4.03Å; V226-V228 HydrophobicContact CG1-CG2 4.35Å; V226-V228 PolarHBondContact O-N 3.06Å
229	I	98.4	Very high	97.7	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	108	-179.6	-44.2	-174.9	0	0	0	109.5	P56 K58 L92 L93 E94 T227 C232	P56-I229 HydrophobicContact CB-CG2 3.59Å; K58-I229 HydrophobicContact CB-CG1 4.43Å; L92-I229 PolarHBondContact O-N 2.76Å; L93-I229 HydrophobicContact CD2-CB 4.02Å; L93-I229 HydrophobicContact CD2-CD1 3.93Å; L93-I229 HydrophobicContact CD2-CG1 4.23Å; E94-I229 PolarHBondContact N-O 3.49Å; T227-I229 HydrophobicContact CG2-CD1 3.96Å; T227-I229 HydrophobicContact CG2-CG1 3.74Å; I229-C232 HydrophobicContact CB-CB 4.45Å; I229-C232 HydrophobicContact CG2-CB 3.82Å
230	E	98.1	Very high	97.8	Very high	41 Å²	41	40.7 Å²	40.7	19%	0.192	23%	0.233	C	C	.	.	S	Bend	trans	-86.5	165	167.3	-66.3	171.6	107.4	0	0	111	P56 T57 E94 D96 R97 L98	P56-E230 WeakPolarHBondContact CA-O 3.27Å; T57-E230 HydrophobicContact CG2-CB 3.8Å; T57-E230 PolarHBondContact N-O 3.06Å; T57-E230 PolarHBondContact OG1-N 3.42Å; T57-E230 PolarHBondContact OG1-O 3.04Å; E94-E230 HydrophobicContact CB-CG 4.47Å; E94-E230 CarbonylContact O-C 3.56Å; D96-E230 WeakPolarHBondContact O-CB 3.49Å; R97-E230 WeakPolarHBondContact CA-OE1 3.37Å; R97-E230 VanDerWaalsContact CB-OE1 3.22Å; R97-E230 WeakPolarHBondContact CB-OE1 3.19Å; L98-E230 HydrophobicContact CG-CG 4.18Å; L98-E230 PolarHBondContact N-OE1 2.82Å
231	N	97.1	Very high	97.8	Very high	55 Å²	55	44.8 Å²	44.8	29%	0.294	26%	0.258	S	S	.	.	S	Bend	trans	58.2	40.1	-173.7	-56.7	-27.4	0	0	0	113.3	G55 E94 R95 D96	G55-N231 WeakPolarHBondContact O-CB 3.1Å; E94-N231 PolarHBondContact O-N 2.94Å; R95-N231 CarbonylContact O-C 3.57Å; R95-N231 VanDerWaalsContact O-CA 3.31Å; R95-N231 WeakPolarHBondContact O-CA 3.39Å; D96-N231 PolarHBondContact O-N 3.46Å; D96-N231 PolarHBondContact O-OD1 3.04Å
232	C	97.5	Very high	97.5	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.007	27%	0.266	C	S	.	.			trans	-134.6	76.2	-172.6	-159.3	0	0	0	0	112	P56 L93 E94 R95 I229 V234	P56-C232 HydrophobicContact CB-CB 4.21Å; L93-C232 HydrophobicContact CD2-CB 4.49Å; E94-C232 PolarHBondContact O-N 2.87Å; R95-C232 PolarHBondContact O-N 3.23Å; I229-C232 HydrophobicContact CB-CB 4.45Å; I229-C232 HydrophobicContact CG2-CB 3.82Å; C232-V234 PolarHBondContact O-N 3.45Å
233	P	97.1	Very high	97.1	Very high	41 Å²	41	52 Å²	52	27%	0.266	29%	0.294	S	S	.	.			trans	-57.1	133.3	172.7	17.1	-28.8	0	0	0	112.3	R95 T254 P255	R95-P233 HydrophobicContact CG-CB 4.04Å; P233-T254 WeakPolarHBondContact O-CB 3.28Å; P233-P255 HydrophobicContact CG-CG 4.04Å; P233-P255 WeakPolarHBondContact O-CD 3.48Å
234	V	98.4	Very high	96.5	Very high	22 Å²	22	52.6 Å²	52.6	13%	0.133	28%	0.284	C	S	.	.			trans	-82.7	132.3	163	174.4	0	0	0	0	109.2	I69 L93 C232 I237 V252 E253 L275 M278	I69-V234 HydrophobicContact CD1-CB 4.46Å; I69-V234 HydrophobicContact CD1-CG1 4.17Å; I69-V234 HydrophobicContact CD1-CG2 3.95Å; I69-V234 HydrophobicContact CG1-CG2 4.06Å; I69-V234 HydrophobicContact CG2-CB 4.22Å; I69-V234 HydrophobicContact CG2-CG2 3.76Å; L93-V234 HydrophobicContact CB-CG2 4.27Å; L93-V234 HydrophobicContact CD1-CG2 3.64Å; C232-V234 PolarHBondContact O-N 3.45Å; V234-I237 HydrophobicContact CG1-CD1 4.03Å; V234-V252 HydrophobicContact CB-CG1 4.22Å; V234-V252 HydrophobicContact CG1-CG1 3.63Å; V234-V252 HydrophobicContact CG2-CG1 3.56Å; V234-E253 WeakPolarHBondContact CA-O 3.46Å; V234-L275 HydrophobicContact CB-CD1 4.43Å; V234-L275 HydrophobicContact CG1-CD1 3.86Å; V234-M278 HydrophobicContact CG1-SD 4.49Å
235	T	97.8	Very high	96.1	Very high	76 Å²	76	50 Å²	50	47%	0.466	29%	0.291	S	S	.	.			trans	-117.8	-10.9	-177.6	50.1	0	0	0	0	113.8	E253 P255	T235-E253 PolarHBondContact N-O 3.36Å; T235-E253 PolarHBondContact OG1-O 2.93Å; T235-P255 HydrophobicContact CG2-CG 3.94Å
236	G	98.3	Very high	96	Very high	8 Å²	8	48.4 Å²	48.4	8%	0.082	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169	159.3	178.9	0	0	0	0	0	112.9	E253	G236-E253 PolarHBondContact N-O 2.97Å; G236-E253 PolarHBondContact O-N 3.28Å
237	I	98.7	Very high	96	Very high	12 Å²	12	53.1 Å²	53.1	6%	0.062	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	113	175.2	-56.2	-66.3	0	0	0	107.7	I69 V234 V239 V252 V264 L275 M278 A279 Y400	I69-I237 HydrophobicContact CD1-CD1 3.85Å; V234-I237 HydrophobicContact CG1-CD1 4.03Å; I237-V239 HydrophobicContact CG2-CG2 4.41Å; I237-V239 PolarHBondContact O-N 2.85Å; I237-V252 HydrophobicContact CD1-CB 4.49Å; I237-V252 HydrophobicContact CD1-CG1 4.22Å; I237-V252 HydrophobicContact CD1-CG2 3.98Å; I237-V264 HydrophobicContact CD1-CG1 4.24Å; I237-V264 HydrophobicContact CD1-CG2 4.26Å; I237-L275 HydrophobicContact CD1-CD1 4.21Å; I237-L275 HydrophobicContact CG1-CD1 4.27Å; I237-M278 HydrophobicContact CB-CB 4.46Å; I237-M278 HydrophobicContact CG1-CB 4.07Å; I237-A279 HydrophobicContact CB-CB 4.05Å; I237-A279 HydrophobicContact CG1-CB 4.46Å; I237-A279 HydrophobicContact CG2-CB 3.94Å; I237-Y400 HydrophobicContact CG1-CE2 4.37Å; I237-Y400 HydrophobicContact CG2-CD2 4.44Å; I237-Y400 HydrophobicContact CG2-CE2 4.46Å
238	Q	98.6	Very high	96	Very high	55 Å²	55	53.9 Å²	53.9	26%	0.257	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	121.9	175.6	-64.9	-170.5	10.8	0	0	109.9	K250 A251 E253	Q238-K250 HydrophobicContact CB-CB 4.2Å; Q238-K250 HydrophobicContact CB-CD 4.37Å; Q238-K250 WeakPolarHBondContact O-CB 3.35Å; Q238-K250 PolarHBondContact O-N 3Å; Q238-A251 HydrophobicContact CB-CB 4.07Å; Q238-A251 HydrophobicContact CG-CB 4.25Å; Q238-A251 PolarHBondContact N-O 3.1Å; Q238-A251 PolarHBondContact O-N 3.4Å; Q238-E253 HydrophobicContact CG-CG 4.01Å; Q238-E253 VanDerWaalsContact CG-OE1 3.29Å; Q238-E253 WeakPolarHBondContact CG-OE1 3.15Å; Q238-E253 PolarHBondContact NE2-OE1 3.47Å
239	V	98.4	Very high	96	Very high	51 Å²	51	53.7 Å²	53.7	31%	0.309	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	135	172.4	179.2	0	0	0	0	109	I237 K247 K248 A279 V397	I237-V239 HydrophobicContact CG2-CG2 4.41Å; I237-V239 PolarHBondContact O-N 2.85Å; V239-K247 HydrophobicContact CG1-CB 3.79Å; V239-K247 HydrophobicContact CG1-CD 4.42Å; V239-K247 HydrophobicContact CG1-CG 4.17Å; V239-K248 WeakPolarHBondContact CA-O 3.22Å; V239-A279 HydrophobicContact CG2-CB 4.28Å; V239-V397 HydrophobicContact CG1-CG1 3.95Å; V239-V397 HydrophobicContact CG1-CG2 4.32Å; V239-V397 HydrophobicContact CG2-CG1 4Å; V239-V397 HydrophobicContact CG2-CG2 4.36Å
240	R	97.5	Very high	96	Very high	137 Å²	137	58.3 Å²	58.3	52%	0.517	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	150.3	170.8	66.2	-176.7	-179.1	117.1	-5.4	110.1	K247 K248 K250	R240-K247 CarbonylContact O-C 3.49Å; R240-K247 WeakPolarHBondContact O-CA 3.36Å; R240-K248 HydrophobicContact CG-CB 4.28Å; R240-K248 PolarHBondContact N-O 2.7Å; R240-K248 PolarHBondContact O-N 2.91Å; R240-K250 HydrophobicContact CB-CB 4.42Å; R240-K250 HydrophobicContact CG-CB 4.24Å
241	T	97.1	Very high	96	Very high	89 Å²	89	56.5 Å²	56.5	55%	0.546	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	135.8	169.9	-52.2	0	0	0	0	107.9	G245 V246	T241-G245 VanDerWaalsContact CG2-C 3.46Å; T241-V246 WeakPolarHBondContact CA-O 3.2Å
242	D	92.3	Very high	96.1	Very high	33 Å²	33	53.9 Å²	53.9	18%	0.176	29%	0.289	C	S	.	.			trans	-91.7	178	173.2	69.2	17.6	0	0	0	112.8	L244 G245 V246 K248	D242-L244 PolarHBondContact O-N 3.38Å; D242-L244 VanDerWaalsContact O-N 3.08Å; D242-L244 PolarHBondContact OD1-N 2.96Å; D242-L244 VanDerWaalsContact OD1-N 3.12Å; D242-G245 PolarHBondContact O-N 3.38Å; D242-G245 PolarHBondContact OD1-N 3.39Å; D242-V246 PolarHBondContact N-O 3.32Å; D242-V246 WeakPolarHBondContact OD1-CB 3.31Å; D242-V246 PolarHBondContact OD1-N 2.99Å; D242-K248 WeakPolarHBondContact OD2-CE 3.43Å; D242-K248 IonicContact OD2-NZ 2.82Å; D242-K248 PolarHBondContact OD2-NZ 3.01Å
243	D	88.3	Confident	96.1	Very high	175 Å²	175	57.3 Å²	57.3	94%	0.936	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-14.9	-175.1	-52	-41.2	0	0	0	113.6
244	L	83.6	Confident	96.2	Very high	103 Å²	103	55.9 Å²	55.9	54%	0.539	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	8	174.1	-61.3	179.6	0	0	0	112.6	D242 V246	D242-L244 PolarHBondContact O-N 3.38Å; D242-L244 VanDerWaalsContact O-N 3.08Å; D242-L244 PolarHBondContact OD1-N 2.96Å; D242-L244 VanDerWaalsContact OD1-N 3.12Å; L244-V246 VanDerWaalsContact C-N 3.29Å; L244-V246 HydrophobicContact CB-CG2 4.14Å; L244-V246 PolarHBondContact O-N 2.9Å
245	G	90	Very high	96.1	Very high	52 Å²	52	58.7 Å²	58.7	54%	0.536	31%	0.314	S	S	.	.	S	Bend	trans	76.9	10.8	-178.2	0	0	0	0	0	114.1	T241 D242 K247	T241-G245 VanDerWaalsContact CG2-C 3.46Å; D242-G245 PolarHBondContact O-N 3.38Å; D242-G245 PolarHBondContact OD1-N 3.39Å; G245-K247 PolarHBondContact O-N 3.31Å
246	V	93.7	Very high	96	Very high	10 Å²	10	59.1 Å²	59.1	6%	0.061	31%	0.311	C	S	.	.			trans	-84	119.5	-176.7	-171.1	0	0	0	0	109.9	T241 D242 L244 K248 R398 Q662	T241-V246 WeakPolarHBondContact CA-O 3.2Å; D242-V246 PolarHBondContact N-O 3.32Å; D242-V246 WeakPolarHBondContact OD1-CB 3.31Å; D242-V246 PolarHBondContact OD1-N 2.99Å; L244-V246 VanDerWaalsContact C-N 3.29Å; L244-V246 HydrophobicContact CB-CG2 4.14Å; L244-V246 PolarHBondContact O-N 2.9Å; V246-K248 HydrophobicContact CG1-CG 4.21Å; V246-R398 HydrophobicContact CG1-CG 3.62Å; V246-Q662 HydrophobicContact CG2-CB 4.49Å; V246-Q662 HydrophobicContact CG2-CG 3.71Å
247	K	97.6	Very high	96	Very high	100 Å²	100	60.5 Å²	60.5	44%	0.435	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	131.4	169.8	-69.9	-177.3	-178.9	-178.5	0	110.6	V239 R240 G245 V397 R398	V239-K247 HydrophobicContact CG1-CB 3.79Å; V239-K247 HydrophobicContact CG1-CD 4.42Å; V239-K247 HydrophobicContact CG1-CG 4.17Å; R240-K247 CarbonylContact O-C 3.49Å; R240-K247 WeakPolarHBondContact O-CA 3.36Å; G245-K247 PolarHBondContact O-N 3.31Å; K247-V397 HydrophobicContact CB-CG1 4.47Å; K247-V397 HydrophobicContact CB-CG2 4.17Å; K247-V397 HydrophobicContact CD-CG2 4.32Å; K247-R398 PolarHBondContact O-N 2.88Å
248	K	98.1	Very high	95.9	Very high	62 Å²	62	62.4 Å²	62.4	27%	0.27	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	142	-178.1	-54.2	-169.8	163.1	160.7	0	110.3	V239 R240 D242 V246 R398	V239-K248 WeakPolarHBondContact CA-O 3.22Å; R240-K248 HydrophobicContact CG-CB 4.28Å; R240-K248 PolarHBondContact N-O 2.7Å; R240-K248 PolarHBondContact O-N 2.91Å; D242-K248 WeakPolarHBondContact OD2-CE 3.43Å; D242-K248 IonicContact OD2-NZ 2.82Å; D242-K248 PolarHBondContact OD2-NZ 3.01Å; V246-K248 HydrophobicContact CG1-CG 4.21Å; K248-R398 WeakPolarHBondContact CA-O 3.39Å; K248-R398 HydrophobicContact CG-CB 4.15Å
249	V	98.6	Very high	96	Very high	4 Å²	4	59.8 Å²	59.8	2%	0.024	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	144.7	169.7	178.1	0	0	0	0	110.3	T261 V264 V397 R398 Y400	V249-T261 HydrophobicContact CG1-CG2 4.14Å; V249-V264 HydrophobicContact CG1-CB 4.32Å; V249-V264 HydrophobicContact CG1-CG2 3.74Å; V249-V397 HydrophobicContact CG2-CG1 3.93Å; V249-R398 PolarHBondContact N-O 3.11Å; V249-Y400 HydrophobicContact CG2-CD2 4.32Å
250	K	98.5	Very high	96	Very high	98 Å²	98	62.2 Å²	62.2	43%	0.426	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	-43.2	178.8	-178.2	-164.1	166.7	-146.6	0	112.8	Q238 R240 T261	Q238-K250 HydrophobicContact CB-CB 4.2Å; Q238-K250 HydrophobicContact CB-CD 4.37Å; Q238-K250 WeakPolarHBondContact O-CB 3.35Å; Q238-K250 PolarHBondContact O-N 3Å; R240-K250 HydrophobicContact CB-CB 4.42Å; R240-K250 HydrophobicContact CG-CB 4.24Å; K250-T261 CarbonylContact C-O 3.57Å; K250-T261 WeakPolarHBondContact CA-O 3.41Å; K250-T261 PolarHBondContact O-N 3.41Å
251	A	98.7	Very high	96	Very high	3 Å²	3	56 Å²	56	3%	0.025	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161	160.2	-178	0	0	0	0	0	111.9	Q238 I259	Q238-A251 HydrophobicContact CB-CB 4.07Å; Q238-A251 HydrophobicContact CG-CB 4.25Å; Q238-A251 PolarHBondContact N-O 3.1Å; Q238-A251 PolarHBondContact O-N 3.4Å; A251-I259 CarbonylContact C-O 3.48Å; A251-I259 WeakPolarHBondContact CA-O 3.24Å; A251-I259 WeakPolarHBondContact CB-O 3.43Å
252	V	98.8	Very high	96.1	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	133.8	168.1	179.4	0	0	0	0	108.9	V67 I69 L93 V234 I237 A258 I259 T261 V264	V67-V252 HydrophobicContact CB-CG2 3.89Å; V67-V252 HydrophobicContact CG1-CB 4.37Å; V67-V252 HydrophobicContact CG1-CG1 4.46Å; V67-V252 HydrophobicContact CG1-CG2 3.88Å; V67-V252 HydrophobicContact CG2-CG2 4.15Å; I69-V252 HydrophobicContact CD1-CG1 4.22Å; I69-V252 HydrophobicContact CD1-CG2 4.33Å; L93-V252 HydrophobicContact CD1-CG1 3.95Å; V234-V252 HydrophobicContact CB-CG1 4.22Å; V234-V252 HydrophobicContact CG1-CG1 3.63Å; V234-V252 HydrophobicContact CG2-CG1 3.56Å; I237-V252 HydrophobicContact CD1-CB 4.49Å; I237-V252 HydrophobicContact CD1-CG1 4.22Å; I237-V252 HydrophobicContact CD1-CG2 3.98Å; V252-A258 CarbonylContact O-C 3.48Å; V252-A258 WeakPolarHBondContact O-CA 3.2Å; V252-I259 PolarHBondContact N-O 2.88Å; V252-I259 PolarHBondContact O-N 3.45Å; V252-T261 HydrophobicContact CG2-CG2 4.03Å; V252-V264 HydrophobicContact CG2-CG2 3.33Å
253	E	98.7	Very high	96.4	Very high	72 Å²	72	54.8 Å²	54.8	34%	0.336	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	139.1	179.5	-57.9	-174.6	152.4	0	0	111.3	V234 T235 G236 Q238	V234-E253 WeakPolarHBondContact CA-O 3.46Å; T235-E253 PolarHBondContact N-O 3.36Å; T235-E253 PolarHBondContact OG1-O 2.93Å; G236-E253 PolarHBondContact N-O 2.97Å; G236-E253 PolarHBondContact O-N 3.28Å; Q238-E253 HydrophobicContact CG-CG 4.01Å; Q238-E253 VanDerWaalsContact CG-OE1 3.29Å; Q238-E253 WeakPolarHBondContact CG-OE1 3.15Å; Q238-E253 PolarHBondContact NE2-OE1 3.47Å
254	T	98.2	Very high	96.9	Very high	11 Å²	11	46.5 Å²	46.5	7%	0.067	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	165.3	174.5	78	0	0	0	0	109.5	L60 L93 P233 H256 G257	L60-T254 HydrophobicContact CD2-CG2 4.11Å; L60-T254 VanDerWaalsContact CD2-OG1 3.27Å; L60-T254 WeakPolarHBondContact CD2-OG1 3.22Å; L93-T254 HydrophobicContact CD1-CG2 4.14Å; P233-T254 WeakPolarHBondContact O-CB 3.28Å; T254-H256 PolarHBondContact O-N 3.01Å; T254-H256 PolarHBondContact OG1-N 3.01Å; T254-H256 VanDerWaalsContact OG1-N 3.08Å; T254-G257 PolarHBondContact N-O 2.74Å; T254-G257 PolarHBondContact O-N 2.97Å; T254-G257 PolarHBondContact OG1-N 2.67Å; T254-G257 PolarHBondContact OG1-O 2.98Å
255	P	96.9	Very high	97.6	Very high	82 Å²	82	41.6 Å²	41.6	53%	0.532	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-12.8	171	-24.7	36.3	0	0	0	114.7	P233 T235	P233-P255 HydrophobicContact CG-CG 4.04Å; P233-P255 WeakPolarHBondContact O-CD 3.48Å; T235-P255 HydrophobicContact CG2-CG 3.94Å
256	H	96.3	Very high	98.1	Very high	84 Å²	84	39.1 Å²	39.1	39%	0.389	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	5.6	-175.8	-52.9	-68.5	0	0	0	113.2	P56 L60 T254	P56-H256 HydrophobicContact CG-CB 4.27Å; L60-H256 HydrophobicContact CD1-CB 3.87Å; L60-H256 HydrophobicContact CD2-CB 4.31Å; T254-H256 PolarHBondContact O-N 3.01Å; T254-H256 PolarHBondContact OG1-N 3.01Å; T254-H256 VanDerWaalsContact OG1-N 3.08Å
257	G	96.9	Very high	98.3	Very high	38 Å²	38	38.9 Å²	38.9	39%	0.392	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	126.8	178.9	-177.5	0	0	0	0	0	112.7	T254	T254-G257 PolarHBondContact N-O 2.74Å; T254-G257 PolarHBondContact O-N 2.97Å; T254-G257 PolarHBondContact OG1-N 2.67Å; T254-G257 PolarHBondContact OG1-O 2.98Å
258	A	98.1	Very high	98.3	Very high	51 Å²	51	34.9 Å²	34.9	42%	0.421	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	146.5	177.7	0	0	0	0	0	111.5	V252	V252-A258 CarbonylContact O-C 3.48Å; V252-A258 WeakPolarHBondContact O-CA 3.2Å
259	I	98.8	Very high	98.2	Very high	0 Å²	0	33 Å²	33	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	114.8	173.4	-52.6	-179.1	0	0	0	107.5	L60 P61 A64 V67 L93 A251 V252 T261	L60-I259 HydrophobicContact CB-CD1 4.49Å; L60-I259 HydrophobicContact CB-CG1 4.41Å; L60-I259 HydrophobicContact CD2-CD1 4.28Å; L60-I259 HydrophobicContact CD2-CG1 4.11Å; L60-I259 HydrophobicContact CG-CD1 4.29Å; L60-I259 HydrophobicContact CG-CG1 4.47Å; P61-I259 HydrophobicContact CG-CD1 4.12Å; P61-I259 HydrophobicContact CG-CG2 4.26Å; A64-I259 HydrophobicContact CB-CG2 4.07Å; V67-I259 HydrophobicContact CG2-CB 4.43Å; V67-I259 HydrophobicContact CG2-CG2 3.96Å; L93-I259 HydrophobicContact CD1-CD1 4.15Å; L93-I259 HydrophobicContact CD2-CD1 4.04Å; A251-I259 CarbonylContact C-O 3.48Å; A251-I259 WeakPolarHBondContact CA-O 3.24Å; A251-I259 WeakPolarHBondContact CB-O 3.43Å; V252-I259 PolarHBondContact N-O 2.88Å; V252-I259 PolarHBondContact O-N 3.45Å; I259-T261 PolarHBondContact O-N 3.18Å
260	E	98.8	Very high	98.1	Very high	102 Å²	102	33 Å²	33	48%	0.477	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	127.9	173.7	-69.7	177.4	-179.5	0	0	109.9	R62 S63 A64	R62-E260 PolarHBondContact O-N 3.42Å; S63-E260 CarbonylContact C-O 3.51Å; S63-E260 WeakPolarHBondContact CA-O 3.3Å; S63-E260 VanDerWaalsContact CB-O 3.27Å; S63-E260 WeakPolarHBondContact CB-O 3.38Å; A64-E260 PolarHBondContact N-O 2.88Å
261	T	98.8	Very high	98.1	Very high	6 Å²	6	29.9 Å²	29.9	4%	0.037	18%	0.184	C	C	.	.			trans	-155.4	142.8	-179.5	-169.9	0	0	0	0	112.1	A64 D65 V67 V249 K250 V252 I259 C263 V264	A64-T261 WeakPolarHBondContact O-CA 3.41Å; A64-T261 WeakPolarHBondContact O-CB 3.39Å; A64-T261 PolarHBondContact O-OG1 3.21Å; D65-T261 PolarHBondContact O-OG1 2.87Å; V67-T261 HydrophobicContact CB-CG2 4.28Å; V67-T261 HydrophobicContact CG2-CG2 3.76Å; V249-T261 HydrophobicContact CG1-CG2 4.14Å; K250-T261 CarbonylContact C-O 3.57Å; K250-T261 WeakPolarHBondContact CA-O 3.41Å; K250-T261 PolarHBondContact O-N 3.41Å; V252-T261 HydrophobicContact CG2-CG2 4.03Å; I259-T261 PolarHBondContact O-N 3.18Å; T261-C263 VanDerWaalsContact C-N 3.33Å; T261-C263 PolarHBondContact OG1-N 3.07Å; T261-C263 PolarHBondContact OG1-O 3.16Å; T261-C263 VanDerWaalsContact OG1-O 3.07Å; T261-V264 HydrophobicContact CG2-CG2 4.04Å
262	P	98.3	Very high	98.1	Very high	87 Å²	87	29.7 Å²	29.7	57%	0.565	18%	0.183	S	C	*	.	S	Bend	trans	-81.8	-10.6	169.6	35.3	-36	0	0	0	113	D65	D65-P262 WeakPolarHBondContact O-CD 3.27Å; D65-P262 WeakPolarHBondContact O-CG 3.41Å
263	C	98.8	Very high	98	Very high	11 Å²	11	31.7 Å²	31.7	7%	0.074	20%	0.195	C	C	.	.			trans	-141.1	129.7	-171.1	-174.2	0	0	0	0	113.2	D65 V66 V67 T261 G399 F401	D65-C263 WeakPolarHBondContact O-CB 3.23Å; V66-C263 HydrophobicContact CB-CB 4.46Å; V66-C263 HydrophobicContact CG1-CB 4.44Å; V66-C263 HydrophobicContact CG2-CB 4.1Å; V67-C263 PolarHBondContact N-O 3.34Å; T261-C263 VanDerWaalsContact C-N 3.33Å; T261-C263 PolarHBondContact OG1-N 3.07Å; T261-C263 PolarHBondContact OG1-O 3.16Å; T261-C263 VanDerWaalsContact OG1-O 3.07Å; C263-G399 CarbonylContact C-O 3.59Å; C263-G399 VanDerWaalsContact CA-O 3.28Å; C263-G399 WeakPolarHBondContact CA-O 3.24Å; C263-F401 VanDerWaalsContact SG-CD2 3.58Å
264	V	98.9	Very high	97.8	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	137.3	173.3	162.5	0	0	0	0	109.1	V67 I69 I237 V249 V252 T261 G399 Y400 F401	V67-V264 CarbonylContact O-C 3.57Å; V67-V264 WeakPolarHBondContact O-CA 3.39Å; I69-V264 HydrophobicContact CD1-CG1 3.7Å; I237-V264 HydrophobicContact CD1-CG1 4.24Å; I237-V264 HydrophobicContact CD1-CG2 4.26Å; V249-V264 HydrophobicContact CG1-CB 4.32Å; V249-V264 HydrophobicContact CG1-CG2 3.74Å; V252-V264 HydrophobicContact CG2-CG2 3.33Å; T261-V264 HydrophobicContact CG2-CG2 4.04Å; V264-G399 PolarHBondContact N-O 3.24Å; V264-Y400 HydrophobicContact CB-CD2 4.16Å; V264-Y400 HydrophobicContact CG1-CD2 3.9Å; V264-Y400 HydrophobicContact CG1-CE2 3.78Å; V264-F401 PolarHBondContact O-N 3.17Å
265	V	98.9	Very high	97.8	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	111.8	173.1	-163.4	0	0	0	0	109.6	V66 V67 V68 I69 T78 C267 F401 L421 I425	V66-V265 HydrophobicContact CG1-CG2 3.63Å; V67-V265 PolarHBondContact O-N 3.12Å; V68-V265 HydrophobicContact CB-CB 4.46Å; V68-V265 HydrophobicContact CG1-CB 4.38Å; V68-V265 HydrophobicContact CG2-CB 4.09Å; V68-V265 HydrophobicContact CG2-CG2 4.01Å; I69-V265 PolarHBondContact N-O 3.17Å; T78-V265 HydrophobicContact CG2-CG1 4.42Å; V265-C267 PolarHBondContact O-N 3.5Å; V265-F401 WeakPolarHBondContact CA-O 3.42Å; V265-F401 HydrophobicContact CB-CB 4.49Å; V265-F401 HydrophobicContact CG1-CB 4.13Å; V265-F401 HydrophobicContact CG2-CB 4.35Å; V265-L421 HydrophobicContact CG1-CD2 3.84Å; V265-L421 HydrophobicContact CG1-CG 4.41Å; V265-I425 HydrophobicContact CG1-CD1 4.47Å; V265-I425 HydrophobicContact CG2-CD1 3.5Å; V265-I425 VanDerWaalsContact CG2-CD1 3.5Å; V265-I425 HydrophobicContact CG2-CG1 4.35Å
266	N	98.9	Very high	97.9	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	96.3	178	-177.6	-13.3	0	0	0	110.3	A268 A272 L275 Y400 F401 L402 G403	N266-A268 PolarHBondContact OD1-N 3.12Å; N266-A272 PolarHBondContact ND2-O 2.89Å; N266-A272 WeakPolarHBondContact OD1-CA 3.42Å; N266-A272 WeakPolarHBondContact OD1-CB 3.47Å; N266-L275 HydrophobicContact CB-CD2 4.24Å; N266-Y400 HydrophobicContact CB-CE1 3.96Å; N266-Y400 PolarHBondContact ND2-OH 3.05Å; N266-F401 PolarHBondContact N-O 3.48Å; N266-L402 HydrophobicContact CB-CD2 4.02Å; N266-G403 CarbonylContact O-C 3.46Å; N266-G403 PolarHBondContact O-N 2.94Å
267	C	98.8	Very high	97.9	Very high	5 Å²	5	31.8 Å²	31.8	3%	0.034	18%	0.183	C	C	.	.			trans	-106.5	20.1	175	-70.1	0	0	0	0	111.8	V68 I69 I74 V265 G269	V68-C267 HydrophobicContact CG1-CB 4.2Å; I69-C267 CarbonylContact O-C 3.58Å; I69-C267 VanDerWaalsContact O-CA 3.25Å; I69-C267 WeakPolarHBondContact O-CA 3.35Å; I69-C267 VanDerWaalsContact O-CB 3.3Å; I69-C267 WeakPolarHBondContact O-CB 3.36Å; I69-C267 PolarHBondContact O-N 3.35Å; I74-C267 HydrophobicContact CG2-CB 3.9Å; V265-C267 PolarHBondContact O-N 3.5Å; C267-G269 PolarHBondContact O-N 2.7Å
268	A	97.8	Very high	98	Very high	16 Å²	16	32.9 Å²	32.9	13%	0.132	18%	0.179	C	C	.	.			trans	-80.2	22.3	-165.7	0	0	0	0	0	115.1	I69 N266 V270 W271 L275	I69-A268 PolarHBondContact O-N 2.68Å; N266-A268 PolarHBondContact OD1-N 3.12Å; A268-V270 PolarHBondContact O-N 3.19Å; A268-W271 HydrophobicContact CB-CB 4.36Å; A268-W271 WeakPolarHBondContact O-CB 3.37Å; A268-W271 PolarHBondContact O-N 3.43Å; A268-L275 HydrophobicContact CB-CD2 3.85Å
269	G	96.3	Very high	98	Very high	23 Å²	23	30.9 Å²	30.9	24%	0.237	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	53.2	-125.8	176.2	0	0	0	0	0	113.4	C267 W271 A272	C267-G269 PolarHBondContact O-N 2.7Å; G269-W271 VanDerWaalsContact C-N 3.27Å; G269-W271 PolarHBondContact O-N 2.77Å; G269-A272 VanDerWaalsContact O-CB 3.23Å; G269-A272 WeakPolarHBondContact O-CB 3.5Å; G269-A272 PolarHBondContact O-N 3.29Å
270	V	96.5	Very high	97.9	Very high	5 Å²	5	32.7 Å²	32.7	3%	0.03	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-66.8	-20.8	176.5	-67.5	0	0	0	0	114.3	A268 A272 A287 W335 V338 P380	A268-V270 PolarHBondContact O-N 3.19Å; V270-A272 VanDerWaalsContact C-N 3.29Å; V270-A287 HydrophobicContact CB-CB 4.23Å; V270-A287 HydrophobicContact CG1-CB 4.03Å; V270-W335 HydrophobicContact CG2-CZ3 4.07Å; V270-V338 HydrophobicContact CG2-CG1 4.25Å; V270-P380 HydrophobicContact CG1-CB 4.39Å
271	W	97.8	Very high	97.9	Very high	31 Å²	31	28 Å²	28	12%	0.117	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-84.7	-0.2	175.4	-59.2	-89.1	0	0	0	113.1	A268 G269 T273 R274 L275 V338 S339 F342	A268-W271 HydrophobicContact CB-CB 4.36Å; A268-W271 WeakPolarHBondContact O-CB 3.37Å; A268-W271 PolarHBondContact O-N 3.43Å; G269-W271 VanDerWaalsContact C-N 3.27Å; G269-W271 PolarHBondContact O-N 2.77Å; W271-T273 VanDerWaalsContact C-N 3.31Å; W271-T273 PolarHBondContact O-N 3.07Å; W271-R274 PolarHBondContact O-N 3.19Å; W271-L275 PolarHBondContact O-N 3.14Å; W271-L275 VanDerWaalsContact O-N 3.15Å; W271-V338 HydrophobicContact CD2-CG1 4.48Å; W271-V338 HydrophobicContact CG-CG1 4.16Å; W271-S339 PolarHBondContact NE1-O 3.02Å; W271-F342 WeakPolarHBondContact CH2-O 3.49Å; W271-F342 HydrophobicContact CZ2-CB 4.24Å; W271-F342 VanDerWaalsContact CZ2-O 3.23Å; W271-F342 WeakPolarHBondContact CZ2-O 3.17Å
272	A	97.8	Very high	97.8	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-62.2	-32.6	-173.6	0	0	0	0	0	113.8	N266 G269 V270 L275 G276 V283 L285 C404	N266-A272 PolarHBondContact ND2-O 2.89Å; N266-A272 WeakPolarHBondContact OD1-CA 3.42Å; N266-A272 WeakPolarHBondContact OD1-CB 3.47Å; G269-A272 VanDerWaalsContact O-CB 3.23Å; G269-A272 WeakPolarHBondContact O-CB 3.5Å; G269-A272 PolarHBondContact O-N 3.29Å; V270-A272 VanDerWaalsContact C-N 3.29Å; A272-L275 PolarHBondContact O-N 2.74Å; A272-G276 PolarHBondContact O-N 3.45Å; A272-V283 HydrophobicContact CB-CG1 4.25Å; A272-L285 HydrophobicContact CB-CD2 4.16Å; A272-C404 HydrophobicContact CB-CB 3.64Å
273	T	96.9	Very high	97.8	Very high	41 Å²	41	26.3 Å²	26.3	25%	0.252	15%	0.146	S	C	.	.	H	α-helix	trans	-62.3	-49.2	175.9	-53.6	0	0	0	0	111.8	W271 L275 G276 E277 V283	W271-T273 VanDerWaalsContact C-N 3.31Å; W271-T273 PolarHBondContact O-N 3.07Å; T273-L275 VanDerWaalsContact C-N 3.29Å; T273-L275 PolarHBondContact O-N 3.47Å; T273-G276 WeakPolarHBondContact O-CA 3.39Å; T273-G276 PolarHBondContact O-N 3.26Å; T273-E277 WeakPolarHBondContact O-CG 3.36Å; T273-E277 PolarHBondContact O-N 2.75Å; T273-V283 PolarHBondContact OG1-O 2.87Å
274	R	96.1	Very high	97.7	Very high	110 Å²	110	25.8 Å²	25.8	42%	0.415	14%	0.142	S	C	.	.	H	α-helix	trans	-62.4	-34	176.4	-176.1	167.5	171.4	-168.5	-16.3	113.4	W271 G276 M278 D340	W271-R274 PolarHBondContact O-N 3.19Å; R274-G276 VanDerWaalsContact C-N 3.32Å; R274-M278 PolarHBondContact O-N 3.06Å; R274-D340 IonicContact CZ-OD1 2.92Å; R274-D340 IonicContact CZ-OD2 3.5Å; R274-D340 IonicContact NH1-OD1 2.75Å; R274-D340 PolarHBondContact NH1-OD1 2.72Å; R274-D340 IonicContact NH1-OD2 3.78Å; R274-D340 PolarHBondContact NH1-OD2 3.45Å; R274-D340 IonicContact NH2-OD1 3.24Å; R274-D340 IonicContact NH2-OD2 3.41Å; R274-D340 PolarHBondContact NH2-OD2 3.49Å
275	L	97.6	Very high	97.7	Very high	11 Å²	11	26.5 Å²	26.5	6%	0.058	15%	0.146	C	C	.	.	H	α-helix	trans	-73.2	-25	173.2	-174.1	60.3	0	0	0	112.7	I69 V234 I237 N266 A268 W271 A272 T273 M278 Y400	I69-L275 HydrophobicContact CB-CD2 3.74Å; I69-L275 HydrophobicContact CD1-CD1 4.14Å; I69-L275 HydrophobicContact CD1-CD2 3.93Å; I69-L275 HydrophobicContact CG1-CD2 4.45Å; I69-L275 HydrophobicContact CG2-CD2 3.5Å; I69-L275 VanDerWaalsContact CG2-CD2 3.5Å; V234-L275 HydrophobicContact CB-CD1 4.43Å; V234-L275 HydrophobicContact CG1-CD1 3.86Å; I237-L275 HydrophobicContact CD1-CD1 4.21Å; I237-L275 HydrophobicContact CG1-CD1 4.27Å; N266-L275 HydrophobicContact CB-CD2 4.24Å; A268-L275 HydrophobicContact CB-CD2 3.85Å; W271-L275 PolarHBondContact O-N 3.14Å; W271-L275 VanDerWaalsContact O-N 3.15Å; A272-L275 PolarHBondContact O-N 2.74Å; T273-L275 VanDerWaalsContact C-N 3.29Å; T273-L275 PolarHBondContact O-N 3.47Å; L275-M278 HydrophobicContact CD1-SD 3.82Å; L275-Y400 PolarHBondContact O-OH 3.4Å
276	G	98.1	Very high	97.6	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-70.3	-45.2	170.7	0	0	0	0	0	112.2	A272 T273 R274 M278 A279 G280 V281 Y400	A272-G276 PolarHBondContact O-N 3.45Å; T273-G276 WeakPolarHBondContact O-CA 3.39Å; T273-G276 PolarHBondContact O-N 3.26Å; R274-G276 VanDerWaalsContact C-N 3.32Å; G276-M278 VanDerWaalsContact C-N 3.26Å; G276-M278 PolarHBondContact O-N 2.88Å; G276-A279 CarbonylContact O-C 3.6Å; G276-A279 WeakPolarHBondContact O-CA 3.32Å; G276-A279 PolarHBondContact O-N 3.22Å; G276-G280 PolarHBondContact O-N 2.86Å; G276-V281 CarbonylContact C-O 3.55Å; G276-V281 WeakPolarHBondContact CA-O 3.5Å; G276-V281 PolarHBondContact O-N 3.45Å; G276-Y400 WeakPolarHBondContact CA-OH 3.27Å; G276-Y400 PolarHBondContact N-OH 3.25Å
277	E	97.4	Very high	97.5	Very high	130 Å²	130	28 Å²	28	61%	0.607	15%	0.154	S	C	*	.	H	α-helix	trans	-53.3	-41.4	175.6	-68.9	162.4	-168.9	0	0	112.1	T273 A279 G280	T273-E277 WeakPolarHBondContact O-CG 3.36Å; T273-E277 PolarHBondContact O-N 2.75Å; E277-A279 PolarHBondContact O-N 2.97Å; E277-A279 VanDerWaalsContact O-N 3.12Å; E277-G280 PolarHBondContact O-N 2.74Å
278	M	98	Very high	97.4	Very high	62 Å²	62	27.8 Å²	27.8	31%	0.305	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-24	175.5	-68	179	-179.1	0	0	114.2	V234 I237 R274 L275 G276	V234-M278 HydrophobicContact CG1-SD 4.49Å; I237-M278 HydrophobicContact CB-CB 4.46Å; I237-M278 HydrophobicContact CG1-CB 4.07Å; R274-M278 PolarHBondContact O-N 3.06Å; L275-M278 HydrophobicContact CD1-SD 3.82Å; G276-M278 VanDerWaalsContact C-N 3.26Å; G276-M278 PolarHBondContact O-N 2.88Å
279	A	98	Very high	97.3	Very high	9 Å²	9	27.5 Å²	27.5	7%	0.074	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	-9.1	176.8	0	0	0	0	0	113.3	I237 V239 G276 E277 V281 V397 Y400	I237-A279 HydrophobicContact CB-CB 4.05Å; I237-A279 HydrophobicContact CG1-CB 4.46Å; I237-A279 HydrophobicContact CG2-CB 3.94Å; V239-A279 HydrophobicContact CG2-CB 4.28Å; G276-A279 CarbonylContact O-C 3.6Å; G276-A279 WeakPolarHBondContact O-CA 3.32Å; G276-A279 PolarHBondContact O-N 3.22Å; E277-A279 PolarHBondContact O-N 2.97Å; E277-A279 VanDerWaalsContact O-N 3.12Å; A279-V281 HydrophobicContact CB-CG2 4.13Å; A279-V397 WeakPolarHBondContact O-CG2 3.42Å; A279-Y400 HydrophobicContact CB-CD2 3.72Å; A279-Y400 HydrophobicContact CB-CE2 3.54Å
280	G	97.5	Very high	97.3	Very high	38 Å²	38	27.3 Å²	27.3	39%	0.392	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.6	40.8	-167.8	0	0	0	0	0	113.3	G276 E277 E396	G276-G280 PolarHBondContact O-N 2.86Å; E277-G280 PolarHBondContact O-N 2.74Å; G280-E396 WeakPolarHBondContact O-CB 3.44Å
281	V	98.3	Very high	97.2	Very high	3 Å²	3	27.4 Å²	27.4	2%	0.018	14%	0.143	C	C	.	.			trans	-115.7	130.2	177	168.9	0	0	0	0	109.6	G276 A279 V283 A394 E396 V397 Y400	G276-V281 CarbonylContact C-O 3.55Å; G276-V281 WeakPolarHBondContact CA-O 3.5Å; G276-V281 PolarHBondContact O-N 3.45Å; A279-V281 HydrophobicContact CB-CG2 4.13Å; V281-V283 HydrophobicContact CG1-CG2 4.28Å; V281-A394 HydrophobicContact CB-CB 4.44Å; V281-A394 HydrophobicContact CG1-CB 3.55Å; V281-A394 HydrophobicContact CG2-CB 3.97Å; V281-E396 HydrophobicContact CG2-CB 4.24Å; V281-V397 HydrophobicContact CG2-CB 4.08Å; V281-V397 HydrophobicContact CG2-CG2 3.86Å; V281-Y400 HydrophobicContact CB-CD1 4.22Å; V281-Y400 HydrophobicContact CB-CE1 4.14Å; V281-Y400 HydrophobicContact CG1-CD1 3.99Å; V281-Y400 HydrophobicContact CG1-CE1 3.93Å; V281-Y400 HydrophobicContact CG2-CD1 3.86Å; V281-Y400 HydrophobicContact CG2-CE1 4.23Å; V281-Y400 HydrophobicContact CG2-CG 4.04Å
282	N	97.8	Very high	97.1	Very high	53 Å²	53	27 Å²	27	28%	0.283	14%	0.142	S	C	.	.			trans	-86.6	126	-179.9	-64.5	-21.2	0	0	0	111	E396	N282-E396 PolarHBondContact N-OE1 2.73Å
283	V	98.1	Very high	97.1	Very high	5 Å²	5	27.1 Å²	27.1	3%	0.03	14%	0.142	C	C	.	.			trans	-120.7	97.3	-179	-172.6	0	0	0	0	109.6	A272 T273 V281 L285 L390 L402	A272-V283 HydrophobicContact CB-CG1 4.25Å; T273-V283 PolarHBondContact OG1-O 2.87Å; V281-V283 HydrophobicContact CG1-CG2 4.28Å; V283-L285 VanDerWaalsContact C-N 3.33Å; V283-L285 HydrophobicContact CG1-CD2 4.02Å; V283-L285 HydrophobicContact CG1-CG 4.21Å; V283-L285 PolarHBondContact O-N 3.37Å; V283-L390 HydrophobicContact CG1-CD1 3.61Å; V283-L402 HydrophobicContact CG1-CD1 4.35Å; V283-L402 HydrophobicContact CG2-CD1 4.31Å; V283-L402 HydrophobicContact CG2-CD2 3.88Å
284	P	97.1	Very high	97	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.134	C	C	.	.			trans	-79.5	74.5	-172	32.2	-37.6	0	0	0	112.8	L390 I439 F442 T447 W452 I453	P284-L390 HydrophobicContact CG-CD1 4.21Å; P284-L390 HydrophobicContact CG-CD2 4.2Å; P284-I439 HydrophobicContact CG-CD1 3.95Å; P284-F442 HydrophobicContact CG-CD2 3.96Å; P284-F442 HydrophobicContact CG-CE2 4.33Å; P284-T447 HydrophobicContact CG-CG2 4.11Å; P284-W452 HydrophobicContact CB-CZ3 4.22Å; P284-I453 HydrophobicContact CB-CD1 4.05Å; P284-I453 HydrophobicContact CB-CG1 3.92Å
285	L	97.1	Very high	97.1	Very high	15 Å²	15	20.8 Å²	20.8	8%	0.079	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	165.8	169.9	66.9	75.9	0	0	0	111.2	A272 V283 F383 T384 L390 C404	A272-L285 HydrophobicContact CB-CD2 4.16Å; V283-L285 VanDerWaalsContact C-N 3.33Å; V283-L285 HydrophobicContact CG1-CD2 4.02Å; V283-L285 HydrophobicContact CG1-CG 4.21Å; V283-L285 PolarHBondContact O-N 3.37Å; L285-F383 CarbonylContact C-O 3.58Å; L285-F383 VanDerWaalsContact CA-O 3.27Å; L285-F383 WeakPolarHBondContact CA-O 3.31Å; L285-F383 WeakPolarHBondContact CB-O 3.39Å; L285-T384 HydrophobicContact CB-CG2 4.24Å; L285-L390 HydrophobicContact CB-CD1 4.22Å; L285-L390 HydrophobicContact CD2-CD1 4.33Å; L285-C404 HydrophobicContact CD2-CB 4.29Å
286	I	97	Very high	97.1	Very high	27 Å²	27	25.4 Å²	25.4	14%	0.138	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	150	173.4	-165.3	160.5	0	0	0	110	M288 F334 F383 I453 R454 S457	I286-M288 HydrophobicContact CG2-CE 3.89Å; I286-F334 HydrophobicContact CD1-CD1 3.54Å; I286-F334 HydrophobicContact CD1-CE1 3.76Å; I286-F334 HydrophobicContact CG1-CD1 4.16Å; I286-F383 HydrophobicContact CG2-CB 4.42Å; I286-F383 PolarHBondContact N-O 2.9Å; I286-F383 PolarHBondContact O-N 2.91Å; I286-I453 HydrophobicContact CB-CG2 4.47Å; I286-R454 HydrophobicContact CD1-CB 4.13Å; I286-R454 HydrophobicContact CD1-CG 3.92Å; I286-S457 VanDerWaalsContact CG2-CB 3.43Å
287	A	97.1	Very high	97	Very high	4 Å²	4	33.5 Å²	33.5	3%	0.033	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	134.5	174.3	0	0	0	0	0	111	V270 W335 V338 E381	V270-A287 HydrophobicContact CB-CB 4.23Å; V270-A287 HydrophobicContact CG1-CB 4.03Å; A287-W335 HydrophobicContact CB-CB 3.97Å; A287-W335 HydrophobicContact CB-CE3 3.99Å; A287-W335 PolarHBondContact O-N 2.96Å; A287-V338 HydrophobicContact CB-CG2 3.78Å; A287-E381 WeakPolarHBondContact CA-O 3.48Å
288	M	97.1	Very high	96.9	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	156	173	-66.3	167.5	174.4	0	0	109.7	I286 P332 I333 F334 E381 F383 H458 Y461	I286-M288 HydrophobicContact CG2-CE 3.89Å; M288-P332 HydrophobicContact CB-CB 4.48Å; M288-P332 HydrophobicContact CE-CG 4.31Å; M288-P332 HydrophobicContact CG-CB 4.47Å; M288-P332 HydrophobicContact SD-CB 4.17Å; M288-P332 HydrophobicContact SD-CG 3.99Å; M288-I333 CarbonylContact C-O 3.58Å; M288-I333 VanDerWaalsContact CA-O 3.32Å; M288-I333 WeakPolarHBondContact CA-O 3.41Å; M288-F334 HydrophobicContact CE-CD1 3.87Å; M288-F334 HydrophobicContact CE-CE1 3.36Å; M288-F334 HydrophobicContact CE-CZ 4.08Å; M288-F334 HydrophobicContact CG-CD1 4.19Å; M288-E381 PolarHBondContact N-O 3.39Å; M288-E381 PolarHBondContact O-N 3.26Å; M288-F383 HydrophobicContact CB-CD2 3.94Å; M288-F383 HydrophobicContact CB-CE2 4.25Å; M288-F383 HydrophobicContact CG-CD2 4.19Å; M288-F383 HydrophobicContact SD-CB 4.13Å; M288-F383 HydrophobicContact SD-CD2 3.72Å; M288-F383 HydrophobicContact SD-CE2 4.45Å; M288-F383 HydrophobicContact SD-CG 4.06Å; M288-H458 HydrophobicContact CE-CB 4.4Å; M288-Y461 HydrophobicContact SD-CD2 3.74Å; M288-Y461 HydrophobicContact SD-CE2 4.48Å; M288-Y461 HydrophobicContact SD-CG 3.93Å
289	H	96.2	Very high	96.6	Very high	10 Å²	10	32.6 Å²	32.6	5%	0.046	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	140.3	165	-65.4	-168.4	0	0	0	108.9	I333 F347	H289-I333 HydrophobicContact CB-CB 4.11Å; H289-I333 PolarHBondContact N-O 3.5Å; H289-F347 AromaticContact CD2-CD2 3.58Å; H289-F347 AromaticContact CD2-CE2 3.47Å; H289-F347 VanDerWaalsContact CD2-CE2 3.47Å; H289-F347 WeakPolarHBondContact CD2-CE2 3.2Å; H289-F347 AromaticContact CE1-CD2 3.76Å; H289-F347 AromaticContact CE1-CG 3.69Å; H289-F347 AromaticContact CG-CD2 3.83Å; H289-F347 AromaticContact ND1-CD2 3.93Å; H289-F347 AromaticContact NE2-CD1 4Å; H289-F347 AromaticContact NE2-CD2 3.55Å; H289-F347 AromaticContact NE2-CE1 3.99Å; H289-F347 AromaticContact NE2-CE2 3.53Å; H289-F347 AromaticContact NE2-CG 3.79Å; H289-F347 AromaticContact NE2-CZ 3.77Å
290	H	95.3	Very high	96.2	Very high	20 Å²	20	34.6 Å²	34.6	9%	0.093	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	142.6	166.2	-178.5	63.1	0	0	0	109.4	Y315 G327 Y328 G379 E381 Y461	H290-Y315 AromaticContact NE2-CE1 3.86Å; H290-Y315 PolarHBondContact NE2-OH 3.29Å; H290-G327 PolarHBondContact CE1-O 3.33Å; H290-Y328 AromaticContact CE1-CE1 3.56Å; H290-Y328 AromaticContact CE1-CE2 3.82Å; H290-Y328 AromaticContact CE1-CZ 3.42Å; H290-Y328 VanDerWaalsContact CE1-CZ 3.42Å; H290-Y328 AromaticContact ND1-CE1 3.8Å; H290-Y328 AromaticContact NE2-CZ 3.81Å; H290-G379 PolarHBondContact N-O 2.83Å; H290-G379 PolarHBondContact O-N 2.91Å; H290-E381 HydrophobicContact CB-CB 4.22Å; H290-Y461 PolarHBondContact ND1-OH 2.76Å; H290-Y461 VanDerWaalsContact ND1-OH 3.12Å
291	A	95	Very high	95.9	Very high	7 Å²	7	32.8 Å²	32.8	6%	0.058	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	153.3	-165.9	0	0	0	0	0	115.4	L349 F354 V377 C378	A291-L349 HydrophobicContact CB-CD1 3.52Å; A291-F354 HydrophobicContact CB-CD2 4.02Å; A291-F354 HydrophobicContact CB-CE2 4.21Å; A291-V377 CarbonylContact C-O 3.51Å; A291-V377 WeakPolarHBondContact CA-O 3.32Å; A291-V377 WeakPolarHBondContact CB-O 3.47Å; A291-C378 HydrophobicContact CB-CB 4.03Å
292	Y	95.9	Very high	95.3	Very high	23 Å²	23	38.2 Å²	38.2	9%	0.09	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	157.7	163.2	61.8	-90.5	0	0	0	111	H105 V294 V325 V377	H105-Y292 WeakPolarHBondContact O-CE1 3.12Å; H105-Y292 PolarHBondContact O-OH 3.17Å; Y292-V294 HydrophobicContact CD2-CG2 4.1Å; Y292-V294 HydrophobicContact CE2-CG2 3.87Å; Y292-V325 CarbonylContact C-O 3.51Å; Y292-V325 WeakPolarHBondContact CA-O 3.45Å; Y292-V325 WeakPolarHBondContact CB-O 3.12Å; Y292-V377 HydrophobicContact CD1-CB 4.16Å; Y292-V377 HydrophobicContact CD1-CG1 4.28Å; Y292-V377 HydrophobicContact CD2-CB 4.13Å; Y292-V377 HydrophobicContact CD2-CG2 4.31Å; Y292-V377 HydrophobicContact CE1-CB 3.81Å; Y292-V377 HydrophobicContact CE1-CG1 3.63Å; Y292-V377 HydrophobicContact CE1-CG2 4.4Å; Y292-V377 HydrophobicContact CE2-CB 3.8Å; Y292-V377 HydrophobicContact CE2-CG1 4.38Å; Y292-V377 HydrophobicContact CE2-CG2 3.64Å; Y292-V377 HydrophobicContact CG-CB 4.32Å; Y292-V377 PolarHBondContact N-O 3.19Å; Y292-V377 PolarHBondContact O-N 3.35Å; Y292-V377 VanDerWaalsContact O-O 3.08Å
293	V	96.8	Very high	94.8	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.012	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	148.3	170	-63	0	0	0	0	109.7	S324 V325 L349 W351 F354 I373 T376	V293-S324 CarbonylContact O-C 3.51Å; V293-S324 VanDerWaalsContact O-CA 3.29Å; V293-S324 WeakPolarHBondContact O-CA 3.35Å; V293-V325 HydrophobicContact CG2-CB 3.99Å; V293-V325 PolarHBondContact N-O 2.99Å; V293-V325 PolarHBondContact O-N 3.47Å; V293-L349 HydrophobicContact CG1-CD2 3.68Å; V293-W351 HydrophobicContact CG1-CH2 3.86Å; V293-W351 HydrophobicContact CG1-CZ3 4.16Å; V293-F354 HydrophobicContact CB-CE1 4.23Å; V293-F354 HydrophobicContact CB-CZ 4.37Å; V293-F354 HydrophobicContact CG1-CD1 4.12Å; V293-F354 HydrophobicContact CG1-CE1 3.46Å; V293-F354 VanDerWaalsContact CG1-CE1 3.46Å; V293-F354 HydrophobicContact CG1-CZ 3.83Å; V293-F354 HydrophobicContact CG2-CE1 3.8Å; V293-F354 HydrophobicContact CG2-CZ 3.98Å; V293-I373 HydrophobicContact CB-CD1 4.32Å; V293-I373 HydrophobicContact CB-CG2 3.91Å; V293-I373 HydrophobicContact CG1-CD1 4.34Å; V293-I373 HydrophobicContact CG1-CG2 4.24Å; V293-I373 HydrophobicContact CG2-CD1 4.2Å; V293-T376 HydrophobicContact CG1-CG2 4.24Å
294	V	96.4	Very high	94.6	Very high	13 Å²	13	43.5 Å²	43.5	8%	0.079	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	125.1	170.7	-174.8	0	0	0	0	107.6	Y292 L323 K374 S375	Y292-V294 HydrophobicContact CD2-CG2 4.1Å; Y292-V294 HydrophobicContact CE2-CG2 3.87Å; V294-L323 WeakPolarHBondContact CA-O 3.48Å; V294-K374 WeakPolarHBondContact O-CB 3.2Å; V294-K374 PolarHBondContact O-N 2.71Å; V294-S375 PolarHBondContact N-O 3.44Å; V294-S375 PolarHBondContact O-N 2.71Å
295	T	97.4	Very high	94.6	Very high	4 Å²	4	43.7 Å²	43.7	3%	0.025	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	166.7	-179	65.6	0	0	0	0	112	L323 V325 L368 T371 G372 K374	T295-L323 HydrophobicContact CG2-CB 4.33Å; T295-L323 PolarHBondContact N-O 3.34Å; T295-L323 PolarHBondContact OG1-N 3Å; T295-L323 PolarHBondContact OG1-O 3.14Å; T295-V325 HydrophobicContact CG2-CG2 4.21Å; T295-L368 HydrophobicContact CG2-CD2 3.67Å; T295-T371 HydrophobicContact CG2-CG2 4.35Å; T295-G372 CarbonylContact C-O 3.57Å; T295-G372 WeakPolarHBondContact CA-O 3.35Å; T295-K374 WeakPolarHBondContact O-CB 3.34Å
296	E	97	Very high	94.6	Very high	108 Å²	108	43 Å²	43	51%	0.505	22%	0.215	S	C	.	.			trans	-67.2	178.4	156.1	-67.2	-173.2	144.9	0	0	111	T371 G372 K374	E296-T371 HydrophobicContact CB-CG2 4.37Å; E296-G372 PolarHBondContact N-O 2.59Å; E296-G372 WeakPolarHBondContact OE2-CA 3.46Å; E296-K374 HydrophobicContact CG-CB 4.28Å
297	R	95.6	Very high	94.6	Very high	171 Å²	171	41.8 Å²	41.8	65%	0.645	21%	0.209	S	C	*	.			trans	-62.9	133.2	178.6	169.3	179.7	172.8	132.4	-10.5	110.8	D321	R297-D321 CarbonylContact C-O 3.51Å; R297-D321 WeakPolarHBondContact CA-O 3.49Å; R297-D321 WeakPolarHBondContact CD-OD2 3.32Å; R297-D321 HydrophobicContact CG-CB 4.14Å; R297-D321 WeakPolarHBondContact CG-OD2 3.37Å; R297-D321 IonicContact CZ-OD2 3.46Å; R297-D321 IonicContact NE-OD2 3.52Å; R297-D321 IonicContact NH1-OD2 2.85Å; R297-D321 PolarHBondContact NH1-OD2 3.36Å
298	I	96	Very high	94.6	Very high	4 Å²	4	42 Å²	42	2%	0.021	21%	0.209	C	C	.	.			trans	-111.5	127.9	173.4	-60.5	164	0	0	0	108.2	L190 I301 D321 L323 V367 L368 T371	L190-I298 HydrophobicContact CD1-CG2 4.07Å; I298-I301 HydrophobicContact CB-CB 4.22Å; I298-I301 HydrophobicContact CB-CG2 3.68Å; I298-I301 HydrophobicContact CD1-CG2 4.49Å; I298-I301 HydrophobicContact CG2-CB 4.15Å; I298-I301 HydrophobicContact CG2-CG2 4.18Å; I298-D321 PolarHBondContact N-O 3.32Å; I298-L323 HydrophobicContact CD1-CB 4.4Å; I298-L323 HydrophobicContact CD1-CD1 3.9Å; I298-L323 HydrophobicContact CD1-CG 4Å; I298-V367 HydrophobicContact CG2-CG1 3.52Å; I298-V367 HydrophobicContact CG2-CG2 4.45Å; I298-L368 HydrophobicContact CD1-CD2 3.66Å; I298-T371 HydrophobicContact CD1-CG2 4.16Å; I298-T371 HydrophobicContact CG1-CG2 3.63Å
299	E	93	Very high	94.6	Very high	169 Å²	169	42 Å²	42	79%	0.79	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.2	134.2	176.3	-172.2	164.8	-164.2	0	0	111	I301	E299-I301 VanDerWaalsContact C-N 3.35Å; E299-I301 PolarHBondContact O-N 3.04Å
300	G	89.2	Confident	94.6	Very high	50 Å²	50	42.5 Å²	42.5	52%	0.515	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.8	-9.4	-179.4	0	0	0	0	0	116.1	Q302 M304	G300-Q302 PolarHBondContact O-N 3.12Å; G300-Q302 VanDerWaalsContact O-N 3.1Å; G300-M304 WeakPolarHBondContact O-CE 3.44Å
301	I	89.8	Confident	94.6	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.22	C	C	.	.			trans	-82	87	177	-153.5	79.5	0	0	0	111.4	Y188 L190 I298 E299 M304 L318 D321 L323	Y188-I301 HydrophobicContact CE1-CD1 3.76Å; Y188-I301 WeakPolarHBondContact OH-CD1 3.1Å; L190-I301 HydrophobicContact CD1-CB 4.06Å; L190-I301 HydrophobicContact CD1-CD1 3.82Å; I298-I301 HydrophobicContact CB-CB 4.22Å; I298-I301 HydrophobicContact CB-CG2 3.68Å; I298-I301 HydrophobicContact CD1-CG2 4.49Å; I298-I301 HydrophobicContact CG2-CB 4.15Å; I298-I301 HydrophobicContact CG2-CG2 4.18Å; E299-I301 VanDerWaalsContact C-N 3.35Å; E299-I301 PolarHBondContact O-N 3.04Å; I301-M304 HydrophobicContact CD1-CE 4.39Å; I301-M304 HydrophobicContact CD1-SD 3.63Å; I301-L318 HydrophobicContact CB-CD1 4.37Å; I301-L318 HydrophobicContact CG1-CD1 3.57Å; I301-L318 HydrophobicContact CG2-CD1 4.11Å; I301-D321 WeakPolarHBondContact CG2-O 3.07Å; I301-L323 HydrophobicContact CD1-CD2 4.46Å; I301-L323 HydrophobicContact CG1-CD2 4.04Å; I301-L323 HydrophobicContact CG1-CG 4.31Å
302	Q	87.6	Confident	94.6	Very high	118 Å²	118	45 Å²	45	55%	0.551	23%	0.229	S	C	*	.			trans	-145.9	144.3	175.5	-66.7	-171.4	-12.7	0	0	111.1	G300 M304	G300-Q302 PolarHBondContact O-N 3.12Å; G300-Q302 VanDerWaalsContact O-N 3.1Å; Q302-M304 PolarHBondContact O-N 3.23Å
303	N	86	Confident	94.5	Very high	151 Å²	151	45.3 Å²	45.3	81%	0.807	23%	0.234	S	C	*	.	S	Bend	trans	54.7	20.4	178	-58	-37.1	0	0	0	116
304	M	94.1	Very high	94.5	Very high	18 Å²	18	45.3 Å²	45.3	9%	0.089	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-87.7	154.2	176.5	-62.2	-173.6	-164.4	0	0	111.9	N147 Y188 L190 G300 I301 Q302 L318	N147-M304 PolarHBondContact ND2-O 2.94Å; Y188-M304 HydrophobicContact CD1-SD 3.48Å; Y188-M304 WeakPolarHBondContact CD1-SD 3.24Å; Y188-M304 HydrophobicContact CD2-CB 3.83Å; Y188-M304 HydrophobicContact CD2-CG 4.41Å; Y188-M304 HydrophobicContact CD2-SD 4.06Å; Y188-M304 HydrophobicContact CE1-SD 3.67Å; Y188-M304 HydrophobicContact CE2-CB 3.8Å; Y188-M304 HydrophobicContact CE2-SD 4.19Å; Y188-M304 HydrophobicContact CG-CB 4.41Å; Y188-M304 HydrophobicContact CG-SD 3.72Å; L190-M304 HydrophobicContact CG-CE 4.45Å; G300-M304 WeakPolarHBondContact O-CE 3.44Å; I301-M304 HydrophobicContact CD1-CE 4.39Å; I301-M304 HydrophobicContact CD1-SD 3.63Å; Q302-M304 PolarHBondContact O-N 3.23Å; M304-L318 WeakPolarHBondContact O-CD2 3.17Å
305	P	96.8	Very high	94.5	Very high	3 Å²	3	45 Å²	45	2%	0.019	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-58.3	152.1	172.9	-24.4	34.9	0	0	0	113.5	N147 L150 L187 Y188 Y201	N147-P305 VanDerWaalsContact O-CA 3.24Å; N147-P305 WeakPolarHBondContact O-CA 3.32Å; L150-P305 HydrophobicContact CB-CB 3.87Å; L187-P305 HydrophobicContact CD1-CG 4.15Å; L187-P305 HydrophobicContact CD2-CG 4.05Å; L187-P305 HydrophobicContact CG-CG 4.03Å; Y188-P305 WeakPolarHBondContact CE2-O 3.17Å; Y201-P305 HydrophobicContact CD2-CB 4.45Å; Y201-P305 HydrophobicContact CD2-CG 4.09Å; Y201-P305 HydrophobicContact CE2-CB 4.12Å; Y201-P305 HydrophobicContact CE2-CG 3.55Å
306	N	97.7	Very high	94.5	Very high	1 Å²	1	45 Å²	45	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	140.7	166.6	-53	-76.7	0	0	0	109.2	L109 W111 N147 G148 G149 L150 L316 L318	L109-N306 HydrophobicContact CD2-CB 3.5Å; L109-N306 VanDerWaalsContact CD2-CG 3.5Å; W111-N306 HydrophobicContact CH2-CB 3.84Å; W111-N306 WeakPolarHBondContact CH2-O 3.29Å; W111-N306 HydrophobicContact CZ2-CB 4.28Å; N147-N306 VanDerWaalsContact CG-ND2 3.33Å; N147-N306 PolarHBondContact ND2-ND2 2.92Å; N147-N306 VanDerWaalsContact ND2-ND2 3.18Å; N147-N306 PolarHBondContact ND2-OD1 2.7Å; N147-N306 PolarHBondContact OD1-ND2 2.62Å; G148-N306 PolarHBondContact O-N 3.08Å; G148-N306 PolarHBondContact O-ND2 3.16Å; G148-N306 VanDerWaalsContact O-ND2 3.13Å; G149-N306 CarbonylContact C-O 3.54Å; G149-N306 WeakPolarHBondContact CA-O 3.25Å; L150-N306 PolarHBondContact N-O 3.03Å; N306-L316 WeakPolarHBondContact CA-O 3.47Å; N306-L318 PolarHBondContact OD1-N 2.96Å; N306-L318 VanDerWaalsContact OD1-N 3.07Å
307	V	97.8	Very high	94.4	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.006	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	139.7	-175.6	-173.9	0	0	0	0	110.4	L150 I152 Y188 M191 Y315 L316	L150-V307 CarbonylContact O-C 3.23Å; L150-V307 WeakPolarHBondContact O-CA 3.18Å; I152-V307 HydrophobicContact CD1-CG1 3.82Å; I152-V307 HydrophobicContact CG1-CG1 3.51Å; Y188-V307 HydrophobicContact CD2-CG2 4.05Å; Y188-V307 HydrophobicContact CE2-CG2 3.36Å; M191-V307 HydrophobicContact CE-CB 4.46Å; M191-V307 HydrophobicContact CE-CG1 3.95Å; M191-V307 HydrophobicContact CE-CG2 3.61Å; V307-Y315 CarbonylContact O-C 3.57Å; V307-Y315 WeakPolarHBondContact O-CA 3.1Å; V307-L316 HydrophobicContact CB-CB 3.96Å; V307-L316 HydrophobicContact CB-CD1 4.1Å; V307-L316 HydrophobicContact CB-CG 4.12Å; V307-L316 HydrophobicContact CG1-CD1 4.4Å; V307-L316 HydrophobicContact CG2-CB 4.37Å; V307-L316 HydrophobicContact CG2-CD1 4.25Å; V307-L316 PolarHBondContact N-O 3Å; V307-L316 PolarHBondContact O-N 3.13Å
308	R	96.6	Very high	94.3	Very high	9 Å²	9	34 Å²	34	3%	0.034	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	106.7	161.1	-172.4	-173.6	-81.3	131.6	-7	109.8	W111 L150 I152 H310 Y465	W111-R308 VanDerWaalsContact CD2-NH1 3.31Å; W111-R308 HydrophobicContact CH2-CB 3.92Å; W111-R308 HydrophobicContact CZ2-CB 4.21Å; W111-R308 HydrophobicContact CZ3-CB 4.32Å; L150-R308 PolarHBondContact O-N 3.28Å; I152-R308 PolarHBondContact N-O 2.96Å; R308-H310 WeakPolarHBondContact CD-CE1 3.36Å; R308-H310 WeakPolarHBondContact CD-NE2 3.36Å; R308-H310 PolarHBondContact O-ND1 3.43Å; R308-Y465 HydrophobicContact CG-CD2 4.17Å; R308-Y465 HydrophobicContact CG-CE1 4.42Å; R308-Y465 HydrophobicContact CG-CE2 3.48Å; R308-Y465 VanDerWaalsContact CG-CE2 3.48Å; R308-Y465 VanDerWaalsContact NE-CZ 3.34Å; R308-Y465 PolarHBondContact NE-OH 2.83Å
309	D	97.3	Very high	94	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	103.6	167.6	-171	-20.4	0	0	0	109.2	I152 D311 A312 S313 V314 R364	I152-D309 HydrophobicContact CB-CB 3.9Å; I152-D309 HydrophobicContact CG1-CB 3.98Å; I152-D309 HydrophobicContact CG2-CB 4.42Å; D309-D311 VanDerWaalsContact C-N 3.33Å; D309-D311 PolarHBondContact OD1-N 3.32Å; D309-A312 HydrophobicContact CB-CB 4.28Å; D309-A312 PolarHBondContact OD1-N 2.96Å; D309-S313 PolarHBondContact O-N 3.15Å; D309-V314 CarbonylContact C-O 3.58Å; D309-V314 HydrophobicContact CB-CG1 3.92Å; D309-V314 PolarHBondContact N-O 3.45Å; D309-V314 PolarHBondContact O-N 2.74Å; D309-V314 VanDerWaalsContact O-O 3.07Å; D309-R364 HydrophobicContact CB-CG 4.3Å; D309-R364 WeakPolarHBondContact OD2-CD 3.39Å; D309-R364 IonicContact OD2-CZ 3.3Å; D309-R364 IonicContact OD2-NE 2.71Å; D309-R364 PolarHBondContact OD2-NE 2.84Å; D309-R364 IonicContact OD2-NH2 3.04Å
310	H	95.2	Very high	93.7	Very high	20 Å²	20	32.8 Å²	32.8	9%	0.093	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-25.8	-178.7	-66.9	76.6	0	0	0	112.2	F151 Y162 R308 Y465	F151-H310 AromaticContact CD1-CE1 3.54Å; Y162-H310 AromaticContact CZ-ND1 3.99Å; Y162-H310 PolarHBondContact OH-CE1 2.83Å; Y162-H310 PolarHBondContact OH-ND1 3.13Å; R308-H310 WeakPolarHBondContact CD-CE1 3.36Å; R308-H310 WeakPolarHBondContact CD-NE2 3.36Å; R308-H310 PolarHBondContact O-ND1 3.43Å; H310-Y465 WeakPolarHBondContact CB-O 3.31Å; H310-Y465 WeakPolarHBondContact O-CB 3.47Å; H310-Y465 VanDerWaalsContact O-O 3.08Å
311	D	95	Very high	93.8	Very high	49 Å²	49	32.7 Å²	32.7	26%	0.262	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-32.4	-176.1	-58.2	-34.3	0	0	0	111	S154 N155 R158 D309	S154-D311 PolarHBondContact N-OD2 3.03Å; S154-D311 WeakPolarHBondContact OG-CB 3.36Å; S154-D311 VanDerWaalsContact OG-CG 3.22Å; S154-D311 PolarHBondContact OG-OD2 2.9Å; N155-D311 PolarHBondContact ND2-OD1 3.34Å; N155-D311 VanDerWaalsContact ND2-OD1 3.1Å; N155-D311 PolarHBondContact ND2-OD2 2.98Å; R158-D311 IonicContact CZ-OD1 2.87Å; R158-D311 VanDerWaalsContact CZ-OD1 3.31Å; R158-D311 IonicContact NE-OD1 3.22Å; R158-D311 PolarHBondContact NE-OD1 3.16Å; R158-D311 IonicContact NH2-OD1 3.78Å; R158-D311 PolarHBondContact NH2-OD1 3.09Å; D309-D311 VanDerWaalsContact C-N 3.33Å; D309-D311 PolarHBondContact OD1-N 3.32Å
312	A	94.7	Very high	94.1	Very high	31 Å²	31	33.1 Å²	33.1	26%	0.256	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	8.7	171.1	0	0	0	0	0	114.2	D309 V314	D309-A312 HydrophobicContact CB-CB 4.28Å; D309-A312 PolarHBondContact OD1-N 2.96Å; A312-V314 VanDerWaalsContact C-N 3.27Å; A312-V314 HydrophobicContact CB-CG1 4.06Å; A312-V314 PolarHBondContact O-N 3.09Å
313	S	95.4	Very high	94.5	Very high	29 Å²	29	27.6 Å²	27.6	20%	0.203	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	29.4	-179.7	-145.8	0	0	0	0	116.3	D309 G327 Y328	D309-S313 PolarHBondContact O-N 3.15Å; S313-G327 CarbonylContact O-C 3.55Å; S313-G327 WeakPolarHBondContact O-CA 3.47Å; S313-Y328 PolarHBondContact O-N 3.36Å; S313-Y328 VanDerWaalsContact O-N 3.14Å; S313-Y328 PolarHBondContact OG-O 3.47Å
314	V	96.3	Very high	95	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.006	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	145.8	-170.7	68	0	0	0	0	113.3	D309 A312 L316 V325 G326 A361	D309-V314 CarbonylContact C-O 3.58Å; D309-V314 HydrophobicContact CB-CG1 3.92Å; D309-V314 PolarHBondContact N-O 3.45Å; D309-V314 PolarHBondContact O-N 2.74Å; D309-V314 VanDerWaalsContact O-O 3.07Å; A312-V314 VanDerWaalsContact C-N 3.27Å; A312-V314 HydrophobicContact CB-CG1 4.06Å; A312-V314 PolarHBondContact O-N 3.09Å; V314-L316 HydrophobicContact CG2-CD2 4.14Å; V314-V325 HydrophobicContact CG2-CG1 3.95Å; V314-G326 CarbonylContact C-O 3.55Å; V314-G326 WeakPolarHBondContact CA-O 3.47Å; V314-G326 WeakPolarHBondContact CG2-O 3.38Å; V314-A361 HydrophobicContact CG2-CB 4.18Å
315	Y	97	Very high	95.1	Very high	8 Å²	8	19.7 Å²	19.7	3%	0.031	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	143.5	168.7	64.8	-97.6	0	0	0	111.3	A107 L109 H290 V307 G326 Y328 Y465	A107-Y315 HydrophobicContact CB-CE2 4.16Å; L109-Y315 HydrophobicContact CD1-CD2 4Å; L109-Y315 HydrophobicContact CD1-CE2 4.46Å; H290-Y315 AromaticContact NE2-CE1 3.86Å; H290-Y315 PolarHBondContact NE2-OH 3.29Å; V307-Y315 CarbonylContact O-C 3.57Å; V307-Y315 WeakPolarHBondContact O-CA 3.1Å; Y315-G326 VanDerWaalsContact CD1-O 3.23Å; Y315-G326 WeakPolarHBondContact CD1-O 3.26Å; Y315-G326 VanDerWaalsContact CE1-C 3.42Å; Y315-G326 PolarHBondContact N-O 3.38Å; Y315-G326 PolarHBondContact O-N 3.05Å; Y315-G326 VanDerWaalsContact O-N 3.15Å; Y315-Y328 HydrophobicContact CD1-CE2 4.24Å; Y315-Y328 HydrophobicContact CE1-CE2 4.12Å; Y315-Y465 WeakPolarHBondContact CD1-OH 3.47Å
316	L	97.1	Very high	95.1	Very high	2 Å²	2	19.5 Å²	19.5	1%	0.01	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	109.3	176.3	-43.3	174	0	0	0	108.4	N306 V307 V314 L323 S324 V325 A361 R364 V365	N306-L316 WeakPolarHBondContact CA-O 3.47Å; V307-L316 HydrophobicContact CB-CB 3.96Å; V307-L316 HydrophobicContact CB-CD1 4.1Å; V307-L316 HydrophobicContact CB-CG 4.12Å; V307-L316 HydrophobicContact CG1-CD1 4.4Å; V307-L316 HydrophobicContact CG2-CB 4.37Å; V307-L316 HydrophobicContact CG2-CD1 4.25Å; V307-L316 PolarHBondContact N-O 3Å; V307-L316 PolarHBondContact O-N 3.13Å; V314-L316 HydrophobicContact CG2-CD2 4.14Å; L316-L323 HydrophobicContact CB-CD2 4.45Å; L316-S324 WeakPolarHBondContact CA-O 3.39Å; L316-V325 HydrophobicContact CD2-CB 4.23Å; L316-V325 HydrophobicContact CD2-CG1 3.86Å; L316-V325 HydrophobicContact CD2-CG2 3.82Å; L316-A361 HydrophobicContact CD2-CB 4.27Å; L316-R364 HydrophobicContact CD1-CB 4.27Å; L316-V365 HydrophobicContact CD1-CG2 3.57Å
317	R	95.4	Very high	94.9	Very high	31 Å²	31	19.5 Å²	19.5	12%	0.117	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	132.5	172.9	179.8	-159.9	175.4	176.7	7.7	109.1	A107 L109 T207 L323 S324	A107-R317 VanDerWaalsContact O-CD 3.32Å; A107-R317 WeakPolarHBondContact O-CD 3.43Å; A107-R317 PolarHBondContact O-NE 3.37Å; A107-R317 PolarHBondContact O-NH1 3.46Å; L109-R317 HydrophobicContact CD1-CB 4.4Å; L109-R317 HydrophobicContact CD2-CB 4.21Å; L109-R317 HydrophobicContact CD2-CG 4.1Å; L109-R317 HydrophobicContact CG-CG 4.41Å; T207-R317 HydrophobicContact CG2-CG 3.88Å; R317-L323 CarbonylContact O-C 3.2Å; R317-L323 WeakPolarHBondContact O-CA 3.29Å; R317-S324 PolarHBondContact N-O 2.87Å; R317-S324 PolarHBondContact O-N 3.06Å
318	L	92.9	Very high	94.8	Very high	18 Å²	18	20.3 Å²	20.3	9%	0.094	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	132	170.2	-171.7	60.4	0	0	0	111.1	I301 M304 N306 L323	I301-L318 HydrophobicContact CB-CD1 4.37Å; I301-L318 HydrophobicContact CG1-CD1 3.57Å; I301-L318 HydrophobicContact CG2-CD1 4.11Å; M304-L318 WeakPolarHBondContact O-CD2 3.17Å; N306-L318 PolarHBondContact OD1-N 2.96Å; N306-L318 VanDerWaalsContact OD1-N 3.07Å; L318-L323 HydrophobicContact CD1-CD2 4.08Å
319	Q	88.5	Confident	94.7	Very high	91 Å²	91	20.2 Å²	20.2	43%	0.425	12%	0.121	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	82.1	176	-170.9	176.3	7.3	0	0	110.1	D321 A322	Q319-D321 PolarHBondContact O-N 2.93Å; Q319-A322 PolarHBondContact N-O 3.3Å; Q319-A322 PolarHBondContact O-N 3.5Å
320	G	87.8	Confident	94.6	Very high	56 Å²	56	25 Å²	25	58%	0.577	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.1	-112	-175	0	0	0	0	0	110.9
321	D	91.6	Very high	94.6	Very high	49 Å²	49	26.6 Å²	26.6	26%	0.262	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	18.8	175.6	61.3	-6.2	0	0	0	113.3	R297 I298 I301 Q319	R297-D321 CarbonylContact C-O 3.51Å; R297-D321 WeakPolarHBondContact CA-O 3.49Å; R297-D321 WeakPolarHBondContact CD-OD2 3.32Å; R297-D321 HydrophobicContact CG-CB 4.14Å; R297-D321 WeakPolarHBondContact CG-OD2 3.37Å; R297-D321 IonicContact CZ-OD2 3.46Å; R297-D321 IonicContact NE-OD2 3.52Å; R297-D321 IonicContact NH1-OD2 2.85Å; R297-D321 PolarHBondContact NH1-OD2 3.36Å; I298-D321 PolarHBondContact N-O 3.32Å; I301-D321 WeakPolarHBondContact CG2-O 3.07Å; Q319-D321 PolarHBondContact O-N 2.93Å
322	A	95.1	Very high	94.7	Very high	9 Å²	9	24.2 Å²	24.2	7%	0.074	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	164.3	175.1	0	0	0	0	0	111.9	Q319	Q319-A322 PolarHBondContact N-O 3.3Å; Q319-A322 PolarHBondContact O-N 3.5Å
323	L	96.2	Very high	94.8	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.005	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	139	174.1	-68.4	176.7	0	0	0	111	V294 T295 I298 I301 L316 R317 L318 V325 V365 L368	V294-L323 WeakPolarHBondContact CA-O 3.48Å; T295-L323 HydrophobicContact CG2-CB 4.33Å; T295-L323 PolarHBondContact N-O 3.34Å; T295-L323 PolarHBondContact OG1-N 3Å; T295-L323 PolarHBondContact OG1-O 3.14Å; I298-L323 HydrophobicContact CD1-CB 4.4Å; I298-L323 HydrophobicContact CD1-CD1 3.9Å; I298-L323 HydrophobicContact CD1-CG 4Å; I301-L323 HydrophobicContact CD1-CD2 4.46Å; I301-L323 HydrophobicContact CG1-CD2 4.04Å; I301-L323 HydrophobicContact CG1-CG 4.31Å; L316-L323 HydrophobicContact CB-CD2 4.45Å; R317-L323 CarbonylContact O-C 3.2Å; R317-L323 WeakPolarHBondContact O-CA 3.29Å; L318-L323 HydrophobicContact CD1-CD2 4.08Å; L323-V325 HydrophobicContact CB-CG2 4.17Å; L323-V365 HydrophobicContact CD1-CG1 4.38Å; L323-L368 HydrophobicContact CD1-CD1 4.39Å; L323-L368 HydrophobicContact CD1-CD2 4.3Å
324	S	96.1	Very high	94.9	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	121.4	157	-31.2	0	0	0	0	108.6	V293 L316 R317	V293-S324 CarbonylContact O-C 3.51Å; V293-S324 VanDerWaalsContact O-CA 3.29Å; V293-S324 WeakPolarHBondContact O-CA 3.35Å; L316-S324 WeakPolarHBondContact CA-O 3.39Å; R317-S324 PolarHBondContact N-O 2.87Å; R317-S324 PolarHBondContact O-N 3.06Å
325	V	97.2	Very high	94.9	Very high	3 Å²	3	25.9 Å²	25.9	2%	0.018	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	120	-176.5	-177.9	0	0	0	0	108.4	Y292 V293 T295 V314 L316 L323 F354 A361 L368	Y292-V325 CarbonylContact C-O 3.51Å; Y292-V325 WeakPolarHBondContact CA-O 3.45Å; Y292-V325 WeakPolarHBondContact CB-O 3.12Å; V293-V325 HydrophobicContact CG2-CB 3.99Å; V293-V325 PolarHBondContact N-O 2.99Å; V293-V325 PolarHBondContact O-N 3.47Å; T295-V325 HydrophobicContact CG2-CG2 4.21Å; V314-V325 HydrophobicContact CG2-CG1 3.95Å; L316-V325 HydrophobicContact CD2-CB 4.23Å; L316-V325 HydrophobicContact CD2-CG1 3.86Å; L316-V325 HydrophobicContact CD2-CG2 3.82Å; L323-V325 HydrophobicContact CB-CG2 4.17Å; V325-F354 WeakPolarHBondContact O-CZ 3.38Å; V325-A361 HydrophobicContact CG1-CB 3.54Å; V325-L368 HydrophobicContact CG2-CD1 4.28Å
326	G	95.9	Very high	94.6	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	168.8	177.4	0	0	0	0	0	111.8	V314 Y315	V314-G326 CarbonylContact C-O 3.55Å; V314-G326 WeakPolarHBondContact CA-O 3.47Å; V314-G326 WeakPolarHBondContact CG2-O 3.38Å; Y315-G326 VanDerWaalsContact CD1-O 3.23Å; Y315-G326 WeakPolarHBondContact CD1-O 3.26Å; Y315-G326 VanDerWaalsContact CE1-C 3.42Å; Y315-G326 PolarHBondContact N-O 3.38Å; Y315-G326 PolarHBondContact O-N 3.05Å; Y315-G326 VanDerWaalsContact O-N 3.15Å
327	G	94.9	Very high	94.4	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	-176.6	-173.1	0	0	0	0	0	113.7	H290 S313	H290-G327 PolarHBondContact CE1-O 3.33Å; S313-G327 CarbonylContact O-C 3.55Å; S313-G327 WeakPolarHBondContact O-CA 3.47Å
328	Y	95.3	Very high	94.2	Very high	18 Å²	18	39.2 Å²	39.2	7%	0.071	21%	0.205	C	C	.	.			trans	-124.5	104.3	-179.6	-67.9	-92.9	0	0	0	110.5	H290 S313 Y315 H357 F383 S408 Y461 N464 Y465	H290-Y328 AromaticContact CE1-CE1 3.56Å; H290-Y328 AromaticContact CE1-CE2 3.82Å; H290-Y328 AromaticContact CE1-CZ 3.42Å; H290-Y328 VanDerWaalsContact CE1-CZ 3.42Å; H290-Y328 AromaticContact ND1-CE1 3.8Å; H290-Y328 AromaticContact NE2-CZ 3.81Å; S313-Y328 PolarHBondContact O-N 3.36Å; S313-Y328 VanDerWaalsContact O-N 3.14Å; S313-Y328 PolarHBondContact OG-O 3.47Å; Y315-Y328 HydrophobicContact CD1-CE2 4.24Å; Y315-Y328 HydrophobicContact CE1-CE2 4.12Å; Y328-H357 VanDerWaalsContact C-CE1 3.41Å; Y328-H357 PolarHBondContact N-CE1 2.72Å; Y328-H357 VanDerWaalsContact N-CE1 3.3Å; Y328-F383 HydrophobicContact CE1-CE1 4.45Å; Y328-F383 HydrophobicContact CE1-CZ 4.23Å; Y328-S408 WeakPolarHBondContact OH-CB 3.38Å; Y328-Y461 HydrophobicContact CD1-CD1 4.5Å; Y328-Y461 HydrophobicContact CD1-CD2 4.16Å; Y328-Y461 HydrophobicContact CD1-CE1 4.11Å; Y328-Y461 AromaticContact CD1-CE2 3.71Å; Y328-Y461 HydrophobicContact CD1-CE2 3.71Å; Y328-Y461 AromaticContact CD1-CZ 3.69Å; Y328-Y461 HydrophobicContact CE1-CE2 4.08Å; Y328-N464 HydrophobicContact CD1-CB 4.13Å; Y328-N464 WeakPolarHBondContact CD1-ND2 3.31Å; Y328-N464 WeakPolarHBondContact CD2-ND2 3.31Å; Y328-N464 WeakPolarHBondContact CE1-ND2 3.47Å; Y328-N464 WeakPolarHBondContact CE2-ND2 3.5Å; Y328-N464 HydrophobicContact CG-CB 4.16Å; Y328-N464 VanDerWaalsContact CG-ND2 3.28Å; Y328-Y465 HydrophobicContact CD2-CD1 4.18Å; Y328-Y465 AromaticContact CD2-CE1 3.8Å; Y328-Y465 HydrophobicContact CD2-CE1 3.8Å; Y328-Y465 HydrophobicContact CD2-CE2 4.18Å; Y328-Y465 AromaticContact CD2-CZ 3.79Å; Y328-Y465 HydrophobicContact CE2-CD1 4.48Å; Y328-Y465 AromaticContact CE2-CE1 3.7Å; Y328-Y465 HydrophobicContact CE2-CE1 3.7Å; Y328-Y465 HydrophobicContact CE2-CE2 4.45Å; Y328-Y465 AromaticContact CE2-CZ 3.66Å
329	E	94.7	Very high	94.2	Very high	8 Å²	8	40 Å²	40	4%	0.037	21%	0.213	C	C	.	.			trans	-72.8	157.7	-179.3	52.3	-79.9	165.9	0	0	114.3	N331 P332 V353 Q356 H357 Y461	E329-N331 PolarHBondContact O-N 3.13Å; E329-P332 HydrophobicContact CG-CB 4.22Å; E329-V353 HydrophobicContact CB-CG1 4.18Å; E329-V353 HydrophobicContact CG-CG1 3.66Å; E329-Q356 VanDerWaalsContact CA-OE1 3.25Å; E329-Q356 HydrophobicContact CB-CG 4.28Å; E329-Q356 VanDerWaalsContact CB-OE1 3.29Å; E329-H357 PolarHBondContact N-CE1 2.85Å; E329-H357 VanDerWaalsContact N-CE1 3.35Å; E329-H357 IonicContact OE2-CD2 3.68Å; E329-H357 IonicContact OE2-CE1 2.76Å; E329-H357 IonicContact OE2-NE2 3.61Å; E329-H357 PolarHBondContact OE2-NE2 3.14Å; E329-Y461 HydrophobicContact CG-CE1 3.94Å; E329-Y461 WeakPolarHBondContact O-CD1 3.28Å; E329-Y461 WeakPolarHBondContact O-CE1 3.41Å; E329-Y461 WeakPolarHBondContact OE1-CE1 3.44Å; E329-Y461 VanDerWaalsContact OE1-CZ 3.29Å; E329-Y461 PolarHBondContact OE1-OH 2.84Å
330	Q	93.5	Very high	94.1	Very high	102 Å²	102	38.8 Å²	38.8	48%	0.477	21%	0.209	S	C	.	.	S	Bend	trans	-80.1	-5	170.9	-65.9	-172.1	6.6	0	0	113.6	H458	Q330-H458 PolarHBondContact O-CE1 2.91Å; Q330-H458 PolarHBondContact O-NE2 3.45Å; Q330-H458 VanDerWaalsContact O-NE2 3.13Å
331	N	96	Very high	94.2	Very high	52 Å²	52	44.9 Å²	44.9	28%	0.278	22%	0.22	S	C	.	.	S	Bend	trans	-136.9	53.7	-175.4	63	-48.9	0	0	0	112.5	E329 Q356 A524	E329-N331 PolarHBondContact O-N 3.13Å; N331-Q356 PolarHBondContact OD1-NE2 3.4Å; N331-A524 HydrophobicContact CB-CB 3.75Å
332	P	96.2	Very high	94.2	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-57.2	149	179.8	25.7	-36.1	0	0	0	112.3	M288 E329 F334 Y461 Y525	M288-P332 HydrophobicContact CB-CB 4.48Å; M288-P332 HydrophobicContact CE-CG 4.31Å; M288-P332 HydrophobicContact CG-CB 4.47Å; M288-P332 HydrophobicContact SD-CB 4.17Å; M288-P332 HydrophobicContact SD-CG 3.99Å; E329-P332 HydrophobicContact CG-CB 4.22Å; P332-F334 PolarHBondContact O-N 3.22Å; P332-Y461 HydrophobicContact CB-CD1 3.79Å; P332-Y461 HydrophobicContact CB-CE1 3.61Å; P332-Y461 HydrophobicContact CB-CE2 4.49Å; P332-Y461 HydrophobicContact CB-CG 4.3Å; P332-Y461 HydrophobicContact CG-CD1 3.56Å; P332-Y461 HydrophobicContact CG-CE1 3.92Å; P332-Y461 HydrophobicContact CG-CG 4.01Å; P332-Y525 VanDerWaalsContact CD-OH 3.31Å; P332-Y525 WeakPolarHBondContact CD-OH 3.5Å; P332-Y525 WeakPolarHBondContact O-CE1 3.3Å; P332-Y525 PolarHBondContact O-OH 3.3Å
333	I	97.4	Very high	94	Very high	49 Å²	49	43.1 Å²	43.1	25%	0.251	21%	0.212	S	C	.	.	P	Polyproline II helix	trans	-79.5	119.6	173.1	-57.3	174.5	0	0	0	108.1	M288 H289 D350 V353	M288-I333 CarbonylContact C-O 3.58Å; M288-I333 VanDerWaalsContact CA-O 3.32Å; M288-I333 WeakPolarHBondContact CA-O 3.41Å; H289-I333 HydrophobicContact CB-CB 4.11Å; H289-I333 PolarHBondContact N-O 3.5Å; I333-D350 HydrophobicContact CD1-CB 3.69Å; I333-V353 HydrophobicContact CD1-CG2 4.23Å; I333-V353 HydrophobicContact CG1-CG2 4.22Å
334	F	97.3	Very high	93.8	Very high	16 Å²	16	44.5 Å²	44.5	7%	0.07	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-74.4	134.9	171.7	-66.5	-85	0	0	0	110	I286 M288 P332 E336 R454 H458 Y521 Y525	I286-F334 HydrophobicContact CD1-CD1 3.54Å; I286-F334 HydrophobicContact CD1-CE1 3.76Å; I286-F334 HydrophobicContact CG1-CD1 4.16Å; M288-F334 HydrophobicContact CE-CD1 3.87Å; M288-F334 HydrophobicContact CE-CE1 3.36Å; M288-F334 HydrophobicContact CE-CZ 4.08Å; M288-F334 HydrophobicContact CG-CD1 4.19Å; P332-F334 PolarHBondContact O-N 3.22Å; F334-E336 PolarHBondContact O-N 3.27Å; F334-R454 HydrophobicContact CD1-CG 4.43Å; F334-R454 HydrophobicContact CE1-CG 3.67Å; F334-R454 HydrophobicContact CZ-CG 3.8Å; F334-H458 HydrophobicContact CZ-CB 4.08Å; F334-H458 AromaticContact CZ-CD2 3.97Å; F334-Y521 HydrophobicContact CZ-CE1 4.32Å; F334-Y525 AromaticContact CD2-CE1 3.92Å; F334-Y525 HydrophobicContact CD2-CE1 3.92Å; F334-Y525 AromaticContact CD2-CZ 3.97Å; F334-Y525 HydrophobicContact CE2-CD1 4.47Å; F334-Y525 HydrophobicContact CE2-CD2 4.49Å; F334-Y525 AromaticContact CE2-CE1 3.78Å; F334-Y525 HydrophobicContact CE2-CE1 3.78Å; F334-Y525 AromaticContact CE2-CE2 3.82Å; F334-Y525 HydrophobicContact CE2-CE2 3.82Å; F334-Y525 AromaticContact CE2-CZ 3.4Å; F334-Y525 VanDerWaalsContact CE2-CZ 3.4Å; F334-Y525 WeakPolarHBondContact CE2-OH 3.32Å
335	W	96.1	Very high	93.6	Very high	30 Å²	30	45.1 Å²	45.1	11%	0.114	22%	0.222	C	C	.	.			trans	-92.8	90.1	170.7	-171.4	27.9	0	0	0	109.1	V270 A287 E337 V338 F342 F347 P380	V270-W335 HydrophobicContact CG2-CZ3 4.07Å; A287-W335 HydrophobicContact CB-CB 3.97Å; A287-W335 HydrophobicContact CB-CE3 3.99Å; A287-W335 PolarHBondContact O-N 2.96Å; W335-E337 PolarHBondContact NE1-O 3.05Å; W335-E337 PolarHBondContact O-N 3.41Å; W335-V338 HydrophobicContact CD2-CG2 4.19Å; W335-V338 HydrophobicContact CE3-CB 4.38Å; W335-V338 HydrophobicContact CE3-CG1 4.25Å; W335-V338 HydrophobicContact CE3-CG2 3.91Å; W335-V338 HydrophobicContact CH2-CG1 3.99Å; W335-V338 HydrophobicContact CZ3-CB 4.33Å; W335-V338 HydrophobicContact CZ3-CG1 3.77Å; W335-V338 HydrophobicContact CZ3-CG2 4.29Å; W335-F342 HydrophobicContact CH2-CB 3.8Å; W335-F342 HydrophobicContact CH2-CD1 4.35Å; W335-F342 HydrophobicContact CH2-CD2 4.2Å; W335-F342 AromaticContact CH2-CG 3.86Å; W335-F342 HydrophobicContact CH2-CG 3.86Å; W335-F342 HydrophobicContact CZ2-CB 4.21Å; W335-F342 HydrophobicContact CZ2-CD2 4.2Å; W335-F342 HydrophobicContact CZ2-CG 4.27Å; W335-F347 AromaticContact CD2-CZ 3.82Å; W335-F347 HydrophobicContact CD2-CZ 3.82Å; W335-F347 AromaticContact CE2-CZ 3.81Å; W335-F347 HydrophobicContact CE3-CZ 4.14Å; W335-F347 HydrophobicContact CG-CZ 4.18Å; W335-F347 HydrophobicContact CH2-CZ 4.45Å; W335-F347 HydrophobicContact CZ2-CE1 4.47Å; W335-F347 HydrophobicContact CZ2-CZ 4.14Å; W335-F347 HydrophobicContact CZ3-CZ 4.45Å; W335-P380 HydrophobicContact CE3-CB 3.5Å; W335-P380 HydrophobicContact CE3-CG 4.39Å; W335-P380 HydrophobicContact CZ3-CB 3.49Å; W335-P380 VanDerWaalsContact CZ3-CB 3.49Å; W335-P380 HydrophobicContact CZ3-CG 3.92Å
336	E	92	Very high	93.5	Very high	119 Å²	119	45.8 Å²	45.8	56%	0.556	23%	0.226	S	C	*	.			trans	-67.3	-32.1	-170.2	-53.1	-68.2	-177.4	0	0	113.4	F334 R454	F334-E336 PolarHBondContact O-N 3.27Å; E336-R454 VanDerWaalsContact CD-NH1 3.28Å; E336-R454 IonicContact OE1-CZ 2.8Å; E336-R454 VanDerWaalsContact OE1-CZ 3.28Å; E336-R454 IonicContact OE1-NH1 3.67Å; E336-R454 PolarHBondContact OE1-NH1 3.42Å; E336-R454 IonicContact OE1-NH2 3.31Å; E336-R454 PolarHBondContact OE1-NH2 3.13Å; E336-R454 IonicContact OE2-CZ 2.9Å; E336-R454 IonicContact OE2-NH1 2.77Å; E336-R454 PolarHBondContact OE2-NH1 3.45Å; E336-R454 IonicContact OE2-NH2 2.9Å
337	E	91.4	Very high	93.5	Very high	158 Å²	158	46.1 Å²	46.1	74%	0.738	23%	0.227	S	C	*	.	S	Bend	trans	-123.7	95.7	-179.2	-69.2	-173.2	-177	0	0	111.1	W335 S339	W335-E337 PolarHBondContact NE1-O 3.05Å; W335-E337 PolarHBondContact O-N 3.41Å; E337-S339 PolarHBondContact O-N 3.28Å; E337-S339 VanDerWaalsContact O-N 3.12Å
338	V	92.8	Very high	93.5	Very high	44 Å²	44	48.4 Å²	48.4	27%	0.267	24%	0.239	S	C	.	.			trans	-73	102	-179.1	179.4	0	0	0	0	110.8	V270 W271 A287 W335	V270-V338 HydrophobicContact CG2-CG1 4.25Å; W271-V338 HydrophobicContact CD2-CG1 4.48Å; W271-V338 HydrophobicContact CG-CG1 4.16Å; A287-V338 HydrophobicContact CB-CG2 3.78Å; W335-V338 HydrophobicContact CD2-CG2 4.19Å; W335-V338 HydrophobicContact CE3-CB 4.38Å; W335-V338 HydrophobicContact CE3-CG1 4.25Å; W335-V338 HydrophobicContact CE3-CG2 3.91Å; W335-V338 HydrophobicContact CH2-CG1 3.99Å; W335-V338 HydrophobicContact CZ3-CB 4.33Å; W335-V338 HydrophobicContact CZ3-CG1 3.77Å; W335-V338 HydrophobicContact CZ3-CG2 4.29Å
339	S	92.3	Very high	93.5	Very high	36 Å²	36	48.4 Å²	48.4	25%	0.252	24%	0.24	S	C	.	.			trans	-71.3	136.8	-179	178.3	0	0	0	0	112.9	W271 E337 K341	W271-S339 PolarHBondContact NE1-O 3.02Å; E337-S339 PolarHBondContact O-N 3.28Å; E337-S339 VanDerWaalsContact O-N 3.12Å; S339-K341 PolarHBondContact O-N 3.23Å; S339-K341 PolarHBondContact OG-N 3.25Å
340	D	87.5	Confident	93.5	Very high	64 Å²	64	51.1 Å²	51.1	34%	0.342	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-17.7	170.6	-64.4	-39.3	0	0	0	113.3	R95 R274 F342	R95-D340 PolarHBondContact NE-O 3.04Å; R95-D340 PolarHBondContact NH1-O 3.04Å; R95-D340 VanDerWaalsContact NH1-O 3.16Å; R95-D340 PolarHBondContact NH2-O 3.26Å; R274-D340 IonicContact CZ-OD1 2.92Å; R274-D340 IonicContact CZ-OD2 3.5Å; R274-D340 IonicContact NH1-OD1 2.75Å; R274-D340 PolarHBondContact NH1-OD1 2.72Å; R274-D340 IonicContact NH1-OD2 3.78Å; R274-D340 PolarHBondContact NH1-OD2 3.45Å; R274-D340 IonicContact NH2-OD1 3.24Å; R274-D340 IonicContact NH2-OD2 3.41Å; R274-D340 PolarHBondContact NH2-OD2 3.49Å; D340-F342 VanDerWaalsContact C-N 3.32Å
341	K	88.3	Confident	93.6	Very high	184 Å²	184	51.1 Å²	51.1	80%	0.8	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-9.9	-175.6	-60.7	179	-177.3	173.8	0	112.7	S339 A343	S339-K341 PolarHBondContact O-N 3.23Å; S339-K341 PolarHBondContact OG-N 3.25Å; K341-A343 PolarHBondContact O-N 2.9Å
342	F	91.1	Very high	93.5	Very high	1 Å²	1	56.2 Å²	56.2	0%	0.004	28%	0.278	C	S	.	.			trans	-76.6	104.9	-177.4	-165.6	-76.8	0	0	0	110.2	E37 R95 W271 W335 D340 S345 F347 P380	E37-F342 HydrophobicContact CG-CD2 4.29Å; E37-F342 HydrophobicContact CG-CE2 4.43Å; R95-F342 PolarHBondContact NH2-O 2.98Å; W271-F342 WeakPolarHBondContact CH2-O 3.49Å; W271-F342 HydrophobicContact CZ2-CB 4.24Å; W271-F342 VanDerWaalsContact CZ2-O 3.23Å; W271-F342 WeakPolarHBondContact CZ2-O 3.17Å; W335-F342 HydrophobicContact CH2-CB 3.8Å; W335-F342 HydrophobicContact CH2-CD1 4.35Å; W335-F342 HydrophobicContact CH2-CD2 4.2Å; W335-F342 AromaticContact CH2-CG 3.86Å; W335-F342 HydrophobicContact CH2-CG 3.86Å; W335-F342 HydrophobicContact CZ2-CB 4.21Å; W335-F342 HydrophobicContact CZ2-CD2 4.2Å; W335-F342 HydrophobicContact CZ2-CG 4.27Å; D340-F342 VanDerWaalsContact C-N 3.32Å; F342-S345 VanDerWaalsContact CE1-O 3.22Å; F342-S345 WeakPolarHBondContact CE1-O 3.24Å; F342-S345 WeakPolarHBondContact CZ-O 3.34Å; F342-F347 HydrophobicContact CD2-CE1 4.05Å; F342-F347 HydrophobicContact CD2-CZ 4.26Å; F342-F347 AromaticContact CE2-CD1 3.91Å; F342-F347 HydrophobicContact CE2-CD1 3.91Å; F342-F347 AromaticContact CE2-CE1 3.42Å; F342-F347 HydrophobicContact CE2-CE1 3.42Å; F342-F347 VanDerWaalsContact CE2-CE1 3.42Å; F342-F347 HydrophobicContact CE2-CE2 4.3Å; F342-F347 AromaticContact CE2-CZ 3.65Å; F342-F347 HydrophobicContact CE2-CZ 3.65Å; F342-F347 HydrophobicContact CZ-CE1 4.12Å; F342-F347 HydrophobicContact CZ-CE2 4.2Å; F342-F347 AromaticContact CZ-CZ 3.95Å; F342-F347 HydrophobicContact CZ-CZ 3.95Å; F342-P380 HydrophobicContact CD1-CG 4.04Å; F342-P380 VanDerWaalsContact CE1-CD 3.48Å; F342-P380 HydrophobicContact CE1-CG 3.57Å; F342-P380 HydrophobicContact CZ-CG 4.12Å
343	A	91.6	Very high	93.4	Very high	21 Å²	21	57 Å²	57	17%	0.174	28%	0.283	C	S	.	.	S	Bend	trans	-146.1	135.7	177.8	0	0	0	0	0	109.2	D96 A100 K341 S345	D96-A343 HydrophobicContact CB-CB 4.13Å; D96-A343 WeakPolarHBondContact OD2-CB 3.29Å; A100-A343 HydrophobicContact CB-CB 4.21Å; K341-A343 PolarHBondContact O-N 2.9Å; A343-S345 PolarHBondContact O-N 3.31Å; A343-S345 PolarHBondContact O-OG 2.83Å
344	F	91.6	Very high	93.3	Very high	30 Å²	30	54.8 Å²	54.8	13%	0.132	27%	0.272	C	S	.	.	S	Bend	trans	44.7	33.9	-174.6	-59.7	-76.8	0	0	0	114.4	V40 Y42 R97 A100 W104	V40-F344 PolarHBondContact N-O 3.23Å; Y42-F344 HydrophobicContact CD1-CD1 4.42Å; Y42-F344 HydrophobicContact CD1-CE1 4.38Å; Y42-F344 HydrophobicContact CD2-CD1 4.43Å; Y42-F344 HydrophobicContact CE1-CE1 4.28Å; Y42-F344 HydrophobicContact CG-CD1 4.31Å; R97-F344 HydrophobicContact CB-CE2 3.85Å; R97-F344 HydrophobicContact CB-CZ 3.98Å; A100-F344 HydrophobicContact CB-CD2 3.9Å; A100-F344 HydrophobicContact CB-CE1 4.41Å; A100-F344 HydrophobicContact CB-CE2 3.43Å; A100-F344 VanDerWaalsContact CB-CE2 3.43Å; A100-F344 HydrophobicContact CB-CZ 3.73Å; A100-F344 PolarHBondContact O-N 2.7Å; W104-F344 HydrophobicContact CB-CE1 4.37Å; W104-F344 AromaticContact CD1-CD1 3.84Å; W104-F344 HydrophobicContact CD2-CD1 4.29Å; W104-F344 AromaticContact CG-CD1 3.97Å; W104-F344 HydrophobicContact CG-CD1 3.97Å; W104-F344 HydrophobicContact CG-CE1 4.27Å
345	S	92.6	Very high	93.2	Very high	13 Å²	13	58.6 Å²	58.6	9%	0.091	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	158	-174.3	-64.4	0	0	0	0	109.8	K38 F342 A343	K38-S345 WeakPolarHBondContact O-CA 3.37Å; F342-S345 VanDerWaalsContact CE1-O 3.22Å; F342-S345 WeakPolarHBondContact CE1-O 3.24Å; F342-S345 WeakPolarHBondContact CZ-O 3.34Å; A343-S345 PolarHBondContact O-N 3.31Å; A343-S345 PolarHBondContact O-OG 2.83Å
346	L	95	Very high	93	Very high	17 Å²	17	61 Å²	61	9%	0.089	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	154.4	173.3	-65.9	175.1	0	0	0	109.1	K38 V40 W104 H105 V377 C378	K38-L346 PolarHBondContact N-O 3.14Å; K38-L346 PolarHBondContact O-N 2.86Å; V40-L346 HydrophobicContact CG2-CD1 3.92Å; V40-L346 HydrophobicContact CG2-CG 4.11Å; W104-L346 HydrophobicContact CH2-CD1 3.89Å; W104-L346 HydrophobicContact CH2-CD2 4.09Å; W104-L346 HydrophobicContact CH2-CG 3.88Å; W104-L346 HydrophobicContact CZ2-CD1 4.39Å; W104-L346 HydrophobicContact CZ2-CD2 3.84Å; W104-L346 HydrophobicContact CZ2-CG 3.87Å; H105-L346 HydrophobicContact CB-CD2 4.15Å; L346-V377 HydrophobicContact CD1-CG1 4.25Å; L346-V377 HydrophobicContact CD1-CG2 4.46Å; L346-V377 HydrophobicContact CD2-CG1 3.88Å; L346-C378 CarbonylContact C-O 3.48Å; L346-C378 WeakPolarHBondContact CA-O 3.16Å; L346-C378 WeakPolarHBondContact CB-O 3.46Å; L346-C378 WeakPolarHBondContact CD2-O 3.3Å
347	F	95.4	Very high	93.1	Very high	6 Å²	6	55.4 Å²	55.4	3%	0.026	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	158.4	167.6	-55.2	-63.3	0	0	0	110.3	H289 W335 F342 C378 P380	H289-F347 AromaticContact CD2-CD2 3.58Å; H289-F347 AromaticContact CD2-CE2 3.47Å; H289-F347 VanDerWaalsContact CD2-CE2 3.47Å; H289-F347 WeakPolarHBondContact CD2-CE2 3.2Å; H289-F347 AromaticContact CE1-CD2 3.76Å; H289-F347 AromaticContact CE1-CG 3.69Å; H289-F347 AromaticContact CG-CD2 3.83Å; H289-F347 AromaticContact ND1-CD2 3.93Å; H289-F347 AromaticContact NE2-CD1 4Å; H289-F347 AromaticContact NE2-CD2 3.55Å; H289-F347 AromaticContact NE2-CE1 3.99Å; H289-F347 AromaticContact NE2-CE2 3.53Å; H289-F347 AromaticContact NE2-CG 3.79Å; H289-F347 AromaticContact NE2-CZ 3.77Å; W335-F347 AromaticContact CD2-CZ 3.82Å; W335-F347 HydrophobicContact CD2-CZ 3.82Å; W335-F347 AromaticContact CE2-CZ 3.81Å; W335-F347 HydrophobicContact CE3-CZ 4.14Å; W335-F347 HydrophobicContact CG-CZ 4.18Å; W335-F347 HydrophobicContact CH2-CZ 4.45Å; W335-F347 HydrophobicContact CZ2-CE1 4.47Å; W335-F347 HydrophobicContact CZ2-CZ 4.14Å; W335-F347 HydrophobicContact CZ3-CZ 4.45Å; F342-F347 HydrophobicContact CD2-CE1 4.05Å; F342-F347 HydrophobicContact CD2-CZ 4.26Å; F342-F347 AromaticContact CE2-CD1 3.91Å; F342-F347 HydrophobicContact CE2-CD1 3.91Å; F342-F347 AromaticContact CE2-CE1 3.42Å; F342-F347 HydrophobicContact CE2-CE1 3.42Å; F342-F347 VanDerWaalsContact CE2-CE1 3.42Å; F342-F347 HydrophobicContact CE2-CE2 4.3Å; F342-F347 AromaticContact CE2-CZ 3.65Å; F342-F347 HydrophobicContact CE2-CZ 3.65Å; F342-F347 HydrophobicContact CZ-CE1 4.12Å; F342-F347 HydrophobicContact CZ-CE2 4.2Å; F342-F347 AromaticContact CZ-CZ 3.95Å; F342-F347 HydrophobicContact CZ-CZ 3.95Å; F347-C378 HydrophobicContact CB-CB 4.36Å; F347-C378 PolarHBondContact N-O 3.4Å; F347-P380 HydrophobicContact CE2-CB 3.91Å; F347-P380 HydrophobicContact CE2-CG 4.23Å; F347-P380 HydrophobicContact CZ-CB 4.25Å
348	D	94.9	Very high	93.3	Very high	48 Å²	48	49.3 Å²	49.3	26%	0.257	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-60.4	138	160	-85.2	-53.9	0	0	0	111.2	S36 K38 D350	S36-D348 PolarHBondContact OG-OD2 2.88Å; K38-D348 WeakPolarHBondContact CD-OD1 3.35Å; K38-D348 WeakPolarHBondContact CE-OD1 3.32Å; K38-D348 IonicContact NZ-OD1 3.65Å; K38-D348 PolarHBondContact NZ-OD1 3.1Å; D348-D350 PolarHBondContact O-N 2.87Å
349	L	95	Very high	93.3	Very high	18 Å²	18	55 Å²	55	9%	0.094	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-77	119.7	176.8	-178.2	62.7	0	0	0	109.9	A291 V293 W351 F354 T376 C378	A291-L349 HydrophobicContact CB-CD1 3.52Å; V293-L349 HydrophobicContact CG1-CD2 3.68Å; L349-W351 HydrophobicContact CD2-CD2 4.19Å; L349-W351 HydrophobicContact CD2-CE3 4.23Å; L349-W351 HydrophobicContact CD2-CH2 3.85Å; L349-W351 HydrophobicContact CD2-CZ2 3.81Å; L349-W351 HydrophobicContact CD2-CZ3 4.07Å; L349-W351 PolarHBondContact O-N 2.99Å; L349-F354 HydrophobicContact CD1-CB 3.93Å; L349-F354 HydrophobicContact CD1-CD2 4.04Å; L349-F354 HydrophobicContact CD1-CG 4Å; L349-F354 HydrophobicContact CD2-CB 4.41Å; L349-F354 HydrophobicContact CD2-CD1 4.1Å; L349-F354 HydrophobicContact CD2-CG 4.13Å; L349-F354 HydrophobicContact CG-CB 4.27Å; L349-F354 HydrophobicContact CG-CG 4.43Å; L349-T376 HydrophobicContact CB-CG2 4.14Å; L349-T376 HydrophobicContact CD2-CG2 3.57Å; L349-C378 HydrophobicContact CD1-CB 4.18Å
350	D	96.3	Very high	93.5	Very high	65 Å²	65	53.9 Å²	53.9	35%	0.348	27%	0.267	S	S	.	.			trans	-76.7	108.6	167.5	-170.7	-38	0	0	0	109.5	I333 D348 D352 V353 F354	I333-D350 HydrophobicContact CD1-CB 3.69Å; D348-D350 PolarHBondContact O-N 2.87Å; D350-D352 WeakPolarHBondContact OD1-CB 3.45Å; D350-D352 PolarHBondContact OD1-N 3.1Å; D350-V353 HydrophobicContact CB-CB 4.26Å; D350-V353 HydrophobicContact CB-CG2 4.2Å; D350-V353 PolarHBondContact OD1-N 3.47Å; D350-F354 VanDerWaalsContact O-CB 3.26Å; D350-F354 WeakPolarHBondContact O-CB 3.47Å; D350-F354 PolarHBondContact O-N 2.74Å
351	W	94.9	Very high	93.9	Very high	103 Å²	103	50.9 Å²	50.9	39%	0.39	25%	0.251	S	S	.	.	H	α-helix	trans	-73.4	-30.6	179.4	-68.4	96.4	0	0	0	113	V293 L349 V353 F354 M355 I373 T376	V293-W351 HydrophobicContact CG1-CH2 3.86Å; V293-W351 HydrophobicContact CG1-CZ3 4.16Å; L349-W351 HydrophobicContact CD2-CD2 4.19Å; L349-W351 HydrophobicContact CD2-CE3 4.23Å; L349-W351 HydrophobicContact CD2-CH2 3.85Å; L349-W351 HydrophobicContact CD2-CZ2 3.81Å; L349-W351 HydrophobicContact CD2-CZ3 4.07Å; L349-W351 PolarHBondContact O-N 2.99Å; W351-V353 PolarHBondContact O-N 2.91Å; W351-F354 HydrophobicContact CE3-CD1 4.23Å; W351-F354 HydrophobicContact CZ3-CD1 4.08Å; W351-F354 PolarHBondContact O-N 3.45Å; W351-M355 HydrophobicContact CE3-SD 4.33Å; W351-M355 VanDerWaalsContact O-CB 3.26Å; W351-M355 WeakPolarHBondContact O-CB 3.31Å; W351-M355 WeakPolarHBondContact O-CG 3.31Å; W351-M355 PolarHBondContact O-N 3.08Å; W351-I373 HydrophobicContact CH2-CD1 3.55Å; W351-I373 HydrophobicContact CH2-CG2 4.42Å; W351-I373 HydrophobicContact CZ3-CD1 3.82Å; W351-T376 HydrophobicContact CH2-CG2 4.08Å; W351-T376 HydrophobicContact CZ2-CG2 3.63Å
352	D	94.1	Very high	94.3	Very high	158 Å²	158	44.4 Å²	44.4	85%	0.845	23%	0.225	S	C	*	.	H	α-helix	trans	-66.9	-31.6	179	-70.1	-18.7	0	0	0	110.4	D350	D350-D352 WeakPolarHBondContact OD1-CB 3.45Å; D350-D352 PolarHBondContact OD1-N 3.1Å
353	V	94.7	Very high	94.6	Very high	16 Å²	16	47.1 Å²	47.1	10%	0.097	24%	0.239	C	C	.	.	H	α-helix	trans	-75.8	-50.8	168.5	-179.5	0	0	0	0	111.4	E329 I333 D350 W351 M355 Q356	E329-V353 HydrophobicContact CB-CG1 4.18Å; E329-V353 HydrophobicContact CG-CG1 3.66Å; I333-V353 HydrophobicContact CD1-CG2 4.23Å; I333-V353 HydrophobicContact CG1-CG2 4.22Å; D350-V353 HydrophobicContact CB-CB 4.26Å; D350-V353 HydrophobicContact CB-CG2 4.2Å; D350-V353 PolarHBondContact OD1-N 3.47Å; W351-V353 PolarHBondContact O-N 2.91Å; V353-M355 PolarHBondContact O-N 2.86Å; V353-Q356 PolarHBondContact O-NE2 3.08Å
354	F	95.3	Very high	94.9	Very high	4 Å²	4	46.2 Å²	46.2	2%	0.018	23%	0.231	C	C	.	.	H	α-helix	trans	-70.3	-28.9	-169.3	-171.4	-101.1	0	0	0	114.8	A291 V293 V325 L349 D350 W351 Q356 H357 I358	A291-F354 HydrophobicContact CB-CD2 4.02Å; A291-F354 HydrophobicContact CB-CE2 4.21Å; V293-F354 HydrophobicContact CB-CE1 4.23Å; V293-F354 HydrophobicContact CB-CZ 4.37Å; V293-F354 HydrophobicContact CG1-CD1 4.12Å; V293-F354 HydrophobicContact CG1-CE1 3.46Å; V293-F354 VanDerWaalsContact CG1-CE1 3.46Å; V293-F354 HydrophobicContact CG1-CZ 3.83Å; V293-F354 HydrophobicContact CG2-CE1 3.8Å; V293-F354 HydrophobicContact CG2-CZ 3.98Å; V325-F354 WeakPolarHBondContact O-CZ 3.38Å; L349-F354 HydrophobicContact CD1-CB 3.93Å; L349-F354 HydrophobicContact CD1-CD2 4.04Å; L349-F354 HydrophobicContact CD1-CG 4Å; L349-F354 HydrophobicContact CD2-CB 4.41Å; L349-F354 HydrophobicContact CD2-CD1 4.1Å; L349-F354 HydrophobicContact CD2-CG 4.13Å; L349-F354 HydrophobicContact CG-CB 4.27Å; L349-F354 HydrophobicContact CG-CG 4.43Å; D350-F354 VanDerWaalsContact O-CB 3.26Å; D350-F354 WeakPolarHBondContact O-CB 3.47Å; D350-F354 PolarHBondContact O-N 2.74Å; W351-F354 HydrophobicContact CE3-CD1 4.23Å; W351-F354 HydrophobicContact CZ3-CD1 4.08Å; W351-F354 PolarHBondContact O-N 3.45Å; F354-Q356 PolarHBondContact O-N 2.85Å; F354-H357 AromaticContact CD2-CD2 3.9Å; F354-H357 AromaticContact CE2-CD2 4Å; F354-H357 PolarHBondContact O-CD2 2.97Å; F354-H357 PolarHBondContact O-N 3.48Å; F354-H357 VanDerWaalsContact O-N 3.15Å; F354-I358 HydrophobicContact CD1-CD1 4.38Å; F354-I358 HydrophobicContact CD1-CG1 4.46Å; F354-I358 HydrophobicContact CE1-CD1 3.8Å; F354-I358 HydrophobicContact CE1-CG1 4.35Å
355	M	93.4	Very high	95.2	Very high	95 Å²	95	44.8 Å²	44.8	47%	0.468	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-60.3	-20.2	-174.6	-81.1	-63.4	-59.7	0	0	114.4	W351 V353 H357 I358	W351-M355 HydrophobicContact CE3-SD 4.33Å; W351-M355 VanDerWaalsContact O-CB 3.26Å; W351-M355 WeakPolarHBondContact O-CB 3.31Å; W351-M355 WeakPolarHBondContact O-CG 3.31Å; W351-M355 PolarHBondContact O-N 3.08Å; V353-M355 PolarHBondContact O-N 2.86Å; M355-H357 PolarHBondContact O-N 2.82Å; M355-H357 VanDerWaalsContact O-N 3.14Å; M355-I358 HydrophobicContact CE-CB 4.16Å; M355-I358 HydrophobicContact CE-CG1 4.35Å; M355-I358 HydrophobicContact CE-CG2 4.17Å; M355-I358 PolarHBondContact O-N 2.96Å; M355-I358 VanDerWaalsContact O-N 3.11Å; M355-I358 HydrophobicContact SD-CB 4.29Å; M355-I358 HydrophobicContact SD-CG1 3.82Å
356	Q	93.3	Very high	95.4	Very high	81 Å²	81	47.1 Å²	47.1	38%	0.379	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-61.9	-20.7	176.9	76.4	-166.3	-96	0	0	113.9	E329 N331 V353 F354	E329-Q356 VanDerWaalsContact CA-OE1 3.25Å; E329-Q356 HydrophobicContact CB-CG 4.28Å; E329-Q356 VanDerWaalsContact CB-OE1 3.29Å; N331-Q356 PolarHBondContact OD1-NE2 3.4Å; V353-Q356 PolarHBondContact O-NE2 3.08Å; F354-Q356 PolarHBondContact O-N 2.85Å
357	H	94.4	Very high	95.5	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.009	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-87.2	-20.2	178.2	-54.1	-44.4	0	0	0	113.2	Y328 E329 F354 M355 G360 A361	Y328-H357 VanDerWaalsContact C-CE1 3.41Å; Y328-H357 PolarHBondContact N-CE1 2.72Å; Y328-H357 VanDerWaalsContact N-CE1 3.3Å; E329-H357 PolarHBondContact N-CE1 2.85Å; E329-H357 VanDerWaalsContact N-CE1 3.35Å; E329-H357 IonicContact OE2-CD2 3.68Å; E329-H357 IonicContact OE2-CE1 2.76Å; E329-H357 IonicContact OE2-NE2 3.61Å; E329-H357 PolarHBondContact OE2-NE2 3.14Å; F354-H357 AromaticContact CD2-CD2 3.9Å; F354-H357 AromaticContact CE2-CD2 4Å; F354-H357 PolarHBondContact O-CD2 2.97Å; F354-H357 PolarHBondContact O-N 3.48Å; F354-H357 VanDerWaalsContact O-N 3.15Å; M355-H357 PolarHBondContact O-N 2.82Å; M355-H357 VanDerWaalsContact O-N 3.14Å; H357-G360 PolarHBondContact O-N 3.29Å; H357-A361 PolarHBondContact O-N 2.9Å
358	I	93.8	Very high	95.6	Very high	30 Å²	30	49.9 Å²	49.9	15%	0.154	26%	0.257	C	S	.	.	H	α-helix	trans	-72.2	-40.3	-169.5	-66	-60.3	0	0	0	112	F354 M355 G360 A361 I362	F354-I358 HydrophobicContact CD1-CD1 4.38Å; F354-I358 HydrophobicContact CD1-CG1 4.46Å; F354-I358 HydrophobicContact CE1-CD1 3.8Å; F354-I358 HydrophobicContact CE1-CG1 4.35Å; M355-I358 HydrophobicContact CE-CB 4.16Å; M355-I358 HydrophobicContact CE-CG1 4.35Å; M355-I358 HydrophobicContact CE-CG2 4.17Å; M355-I358 PolarHBondContact O-N 2.96Å; M355-I358 VanDerWaalsContact O-N 3.11Å; M355-I358 HydrophobicContact SD-CB 4.29Å; M355-I358 HydrophobicContact SD-CG1 3.82Å; I358-G360 VanDerWaalsContact C-N 3.31Å; I358-G360 PolarHBondContact O-N 2.96Å; I358-A361 PolarHBondContact O-N 3.45Å; I358-I362 HydrophobicContact CG2-CD1 3.61Å; I358-I362 HydrophobicContact CG2-CG1 4.17Å; I358-I362 WeakPolarHBondContact O-CB 3.34Å; I358-I362 WeakPolarHBondContact O-CG1 3.31Å; I358-I362 PolarHBondContact O-N 3.4Å
359	E	94	Very high	95.7	Very high	163 Å²	163	54.1 Å²	54.1	76%	0.762	28%	0.275	S	S	*	.	H	α-helix	trans	-60.2	-42.1	176.5	-64.7	-174.2	171.4	0	0	111.5	N363	E359-N363 WeakPolarHBondContact O-CB 3.43Å; E359-N363 PolarHBondContact O-N 3.04Å
360	G	95.3	Very high	95.7	Very high	12 Å²	12	61 Å²	61	12%	0.124	31%	0.307	C	S	.	.	H	α-helix	trans	-64.1	-43.1	174.7	0	0	0	0	0	113	H357 I358 N363 R364	H357-G360 PolarHBondContact O-N 3.29Å; I358-G360 VanDerWaalsContact C-N 3.31Å; I358-G360 PolarHBondContact O-N 2.96Å; G360-N363 PolarHBondContact O-N 2.95Å; G360-R364 WeakPolarHBondContact O-CG 3.38Å; G360-R364 PolarHBondContact O-N 2.91Å
361	A	96.9	Very high	95.8	Very high	2 Å²	2	59.1 Å²	59.1	2%	0.017	30%	0.298	C	S	.	.	H	α-helix	trans	-62.4	-48.6	176.4	0	0	0	0	0	112.1	V314 L316 V325 H357 I358 R364 V365 L368	V314-A361 HydrophobicContact CG2-CB 4.18Å; L316-A361 HydrophobicContact CD2-CB 4.27Å; V325-A361 HydrophobicContact CG1-CB 3.54Å; H357-A361 PolarHBondContact O-N 2.9Å; I358-A361 PolarHBondContact O-N 3.45Å; A361-R364 PolarHBondContact O-N 3.29Å; A361-V365 PolarHBondContact O-N 3.25Å; A361-L368 HydrophobicContact CB-CD1 4Å
362	I	97.7	Very high	95.8	Very high	48 Å²	48	55.4 Å²	55.4	25%	0.246	29%	0.292	C	S	.	.	H	α-helix	trans	-61.2	-46.5	177	-68.9	171.7	0	0	0	110.1	I358 R364 V365 P366 L368 E369	I358-I362 HydrophobicContact CG2-CD1 3.61Å; I358-I362 HydrophobicContact CG2-CG1 4.17Å; I358-I362 WeakPolarHBondContact O-CB 3.34Å; I358-I362 WeakPolarHBondContact O-CG1 3.31Å; I358-I362 PolarHBondContact O-N 3.4Å; I362-R364 VanDerWaalsContact C-N 3.26Å; I362-R364 PolarHBondContact O-N 2.81Å; I362-V365 CarbonylContact O-C 3.5Å; I362-V365 VanDerWaalsContact O-C 3.23Å; I362-V365 PolarHBondContact O-N 3.19Å; I362-P366 WeakPolarHBondContact O-CA 3.38Å; I362-P366 VanDerWaalsContact O-N 3.15Å; I362-L368 HydrophobicContact CG1-CB 4.08Å; I362-E369 HydrophobicContact CD1-CB 4.31Å; I362-E369 HydrophobicContact CG1-CB 4.5Å; I362-E369 HydrophobicContact CG2-CB 3.95Å
363	N	97.2	Very high	95.9	Very high	57 Å²	57	51.5 Å²	51.5	31%	0.305	27%	0.27	S	S	.	.	H	α-helix	trans	-55.5	-44.9	175.7	-177	34.2	0	0	0	110.6	N192 D195 E359 G360	N192-N363 WeakPolarHBondContact CB-O 3.49Å; N192-N363 PolarHBondContact ND2-OD1 3.24Å; D195-N363 PolarHBondContact OD2-ND2 3.29Å; E359-N363 WeakPolarHBondContact O-CB 3.43Å; E359-N363 PolarHBondContact O-N 3.04Å; G360-N363 PolarHBondContact O-N 2.95Å
364	R	97.1	Very high	96	Very high	3 Å²	3	58.3 Å²	58.3	1%	0.011	30%	0.298	C	S	.	.	H	α-helix	trans	-67.7	-40.4	179.1	-72.7	-64.1	139.6	-117.2	-10.9	114.4	M191 N192 D195 D309 L316 G360 A361 I362	M191-R364 CarbonylContact C-O 3.58Å; M191-R364 VanDerWaalsContact CA-O 3.24Å; M191-R364 WeakPolarHBondContact CA-O 3.34Å; N192-R364 PolarHBondContact N-O 2.96Å; N192-R364 PolarHBondContact O-NH1 2.97Å; N192-R364 VanDerWaalsContact O-NH1 3.08Å; D195-R364 IonicContact OD1-CZ 2.76Å; D195-R364 VanDerWaalsContact OD1-CZ 3.3Å; D195-R364 IonicContact OD1-NH1 3.73Å; D195-R364 PolarHBondContact OD1-NH1 2.96Å; D195-R364 IonicContact OD1-NH2 3.74Å; D195-R364 PolarHBondContact OD1-NH2 3.38Å; D195-R364 IonicContact OD2-CZ 2.69Å; D195-R364 IonicContact OD2-NH1 3.15Å; D195-R364 IonicContact OD2-NH2 3.56Å; D195-R364 PolarHBondContact OD2-NH2 3.01Å; D309-R364 HydrophobicContact CB-CG 4.3Å; D309-R364 WeakPolarHBondContact OD2-CD 3.39Å; D309-R364 IonicContact OD2-CZ 3.3Å; D309-R364 IonicContact OD2-NE 2.71Å; D309-R364 PolarHBondContact OD2-NE 2.84Å; D309-R364 IonicContact OD2-NH2 3.04Å; L316-R364 HydrophobicContact CD1-CB 4.27Å; G360-R364 WeakPolarHBondContact O-CG 3.38Å; G360-R364 PolarHBondContact O-N 2.91Å; A361-R364 PolarHBondContact O-N 3.29Å; I362-R364 VanDerWaalsContact C-N 3.26Å; I362-R364 PolarHBondContact O-N 2.81Å
365	V	97.3	Very high	96	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	32%	0.315	C	S	.	.	S	Bend	trans	-135	84.6	-176.7	-175.3	0	0	0	0	108.7	Y188 L190 L316 L323 A361 I362 V367 L368	Y188-V365 HydrophobicContact CE1-CG2 4.02Å; L190-V365 HydrophobicContact CB-CG1 4.24Å; L316-V365 HydrophobicContact CD1-CG2 3.57Å; L323-V365 HydrophobicContact CD1-CG1 4.38Å; A361-V365 PolarHBondContact O-N 3.25Å; I362-V365 CarbonylContact O-C 3.5Å; I362-V365 VanDerWaalsContact O-C 3.23Å; I362-V365 PolarHBondContact O-N 3.19Å; V365-V367 VanDerWaalsContact C-N 3.25Å; V365-V367 HydrophobicContact CG1-CG1 3.96Å; V365-V367 PolarHBondContact O-N 3.11Å; V365-L368 HydrophobicContact CB-CD1 3.96Å; V365-L368 HydrophobicContact CB-CG 4.16Å; V365-L368 HydrophobicContact CG1-CG 4.3Å; V365-L368 VanDerWaalsContact O-CB 3.26Å; V365-L368 WeakPolarHBondContact O-CB 3.15Å; V365-L368 VanDerWaalsContact O-CG 3.32Å; V365-L368 WeakPolarHBondContact O-CG 3.08Å; V365-L368 PolarHBondContact O-N 3.37Å
366	P	97.4	Very high	96.1	Very high	62 Å²	62	58.6 Å²	58.6	40%	0.403	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-55.2	-28.7	-165.2	-32.6	38.1	0	0	0	116.9	N192 I362 L368 E369	N192-P366 HydrophobicContact CB-CG 4.21Å; I362-P366 WeakPolarHBondContact O-CA 3.38Å; I362-P366 VanDerWaalsContact O-N 3.15Å; P366-L368 PolarHBondContact O-N 2.93Å; P366-L368 VanDerWaalsContact O-N 3.1Å; P366-E369 WeakPolarHBondContact O-CB 3.22Å; P366-E369 PolarHBondContact O-N 2.93Å; P366-E369 VanDerWaalsContact O-N 3.09Å
367	V	96.8	Very high	96.2	Very high	60 Å²	60	55.6 Å²	55.6	36%	0.364	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-61.2	-18.6	175.8	68.2	0	0	0	0	113.2	I298 V365 E369 Q370 T371	I298-V367 HydrophobicContact CG2-CG1 3.52Å; I298-V367 HydrophobicContact CG2-CG2 4.45Å; V365-V367 VanDerWaalsContact C-N 3.25Å; V365-V367 HydrophobicContact CG1-CG1 3.96Å; V365-V367 PolarHBondContact O-N 3.11Å; V367-E369 PolarHBondContact O-N 2.74Å; V367-Q370 PolarHBondContact O-N 2.97Å; V367-Q370 VanDerWaalsContact O-N 3.1Å; V367-T371 PolarHBondContact O-N 3.49Å; V367-T371 PolarHBondContact O-OG1 3.02Å
368	L	96.9	Very high	96.3	Very high	20 Å²	20	55.7 Å²	55.7	11%	0.105	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-60.3	-23.9	172.7	-70.3	179.3	0	0	0	113.7	T295 I298 L323 V325 A361 I362 V365 P366 Q370 T371	T295-L368 HydrophobicContact CG2-CD2 3.67Å; I298-L368 HydrophobicContact CD1-CD2 3.66Å; L323-L368 HydrophobicContact CD1-CD1 4.39Å; L323-L368 HydrophobicContact CD1-CD2 4.3Å; V325-L368 HydrophobicContact CG2-CD1 4.28Å; A361-L368 HydrophobicContact CB-CD1 4Å; I362-L368 HydrophobicContact CG1-CB 4.08Å; V365-L368 HydrophobicContact CB-CD1 3.96Å; V365-L368 HydrophobicContact CB-CG 4.16Å; V365-L368 HydrophobicContact CG1-CG 4.3Å; V365-L368 VanDerWaalsContact O-CB 3.26Å; V365-L368 WeakPolarHBondContact O-CB 3.15Å; V365-L368 VanDerWaalsContact O-CG 3.32Å; V365-L368 WeakPolarHBondContact O-CG 3.08Å; V365-L368 PolarHBondContact O-N 3.37Å; P366-L368 PolarHBondContact O-N 2.93Å; P366-L368 VanDerWaalsContact O-N 3.1Å; L368-Q370 PolarHBondContact O-N 2.94Å; L368-T371 PolarHBondContact O-N 2.93Å
369	E	97.1	Very high	96.3	Very high	137 Å²	137	54.3 Å²	54.3	64%	0.64	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-58.2	-32.1	173.7	-174	-174.7	-138.3	0	0	112.2	I362 P366 V367	I362-E369 HydrophobicContact CD1-CB 4.31Å; I362-E369 HydrophobicContact CG1-CB 4.5Å; I362-E369 HydrophobicContact CG2-CB 3.95Å; P366-E369 WeakPolarHBondContact O-CB 3.22Å; P366-E369 PolarHBondContact O-N 2.93Å; P366-E369 VanDerWaalsContact O-N 3.09Å; V367-E369 PolarHBondContact O-N 2.74Å
370	Q	96.4	Very high	96.3	Very high	164 Å²	164	46.5 Å²	46.5	77%	0.766	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.3	-0.8	-174.6	-59.1	176.9	22.4	0	0	112.7	V367 L368	V367-Q370 PolarHBondContact O-N 2.97Å; V367-Q370 VanDerWaalsContact O-N 3.1Å; L368-Q370 PolarHBondContact O-N 2.94Å
371	T	96.8	Very high	96.3	Very high	25 Å²	25	46.6 Å²	46.6	15%	0.153	25%	0.25	C	C	.	.			trans	-88.1	128.4	-177.3	-56.1	0	0	0	0	110.5	T295 E296 I298 V367 L368	T295-T371 HydrophobicContact CG2-CG2 4.35Å; E296-T371 HydrophobicContact CB-CG2 4.37Å; I298-T371 HydrophobicContact CD1-CG2 4.16Å; I298-T371 HydrophobicContact CG1-CG2 3.63Å; V367-T371 PolarHBondContact O-N 3.49Å; V367-T371 PolarHBondContact O-OG1 3.02Å; L368-T371 PolarHBondContact O-N 2.93Å
372	G	96.4	Very high	96.2	Very high	25 Å²	25	46.8 Å²	46.8	26%	0.258	25%	0.251	S	S	.	.			trans	-67.2	164.7	176.2	0	0	0	0	0	113.4	T295 E296	T295-G372 CarbonylContact C-O 3.57Å; T295-G372 WeakPolarHBondContact CA-O 3.35Å; E296-G372 PolarHBondContact N-O 2.59Å; E296-G372 WeakPolarHBondContact OE2-CA 3.46Å
373	I	96.6	Very high	96.2	Very high	76 Å²	76	44.5 Å²	44.5	39%	0.39	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	118.9	175.3	-64	176.6	0	0	0	109.1	V293 W351	V293-I373 HydrophobicContact CB-CD1 4.32Å; V293-I373 HydrophobicContact CB-CG2 3.91Å; V293-I373 HydrophobicContact CG1-CD1 4.34Å; V293-I373 HydrophobicContact CG1-CG2 4.24Å; V293-I373 HydrophobicContact CG2-CD1 4.2Å; W351-I373 HydrophobicContact CH2-CD1 3.55Å; W351-I373 HydrophobicContact CH2-CG2 4.42Å; W351-I373 HydrophobicContact CZ3-CD1 3.82Å
374	K	95.7	Very high	96.2	Very high	158 Å²	158	41.8 Å²	41.8	69%	0.687	22%	0.224	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-81.5	-37.5	-176.6	-178.8	179.6	178.8	180	0	112.7	V294 T295 E296	V294-K374 WeakPolarHBondContact O-CB 3.2Å; V294-K374 PolarHBondContact O-N 2.71Å; T295-K374 WeakPolarHBondContact O-CB 3.34Å; E296-K374 HydrophobicContact CG-CB 4.28Å
375	S	94.8	Very high	96.2	Very high	55 Å²	55	41.6 Å²	41.6	39%	0.385	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	152.6	178.8	56.4	0	0	0	0	112.4	V294	V294-S375 PolarHBondContact N-O 3.44Å; V294-S375 PolarHBondContact O-N 2.71Å
376	T	95.6	Very high	96	Very high	50 Å²	50	43.9 Å²	43.9	31%	0.307	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	139.8	173.8	57.1	0	0	0	0	110.4	V293 L349 W351	V293-T376 HydrophobicContact CG1-CG2 4.24Å; L349-T376 HydrophobicContact CB-CG2 4.14Å; L349-T376 HydrophobicContact CD2-CG2 3.57Å; W351-T376 HydrophobicContact CH2-CG2 4.08Å; W351-T376 HydrophobicContact CZ2-CG2 3.63Å
377	V	95.3	Very high	95.8	Very high	18 Å²	18	43.1 Å²	43.1	11%	0.109	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	117	170.3	179.6	0	0	0	0	108.1	H105 A291 Y292 L346	H105-V377 HydrophobicContact CB-CG1 3.9Å; A291-V377 CarbonylContact C-O 3.51Å; A291-V377 WeakPolarHBondContact CA-O 3.32Å; A291-V377 WeakPolarHBondContact CB-O 3.47Å; Y292-V377 HydrophobicContact CD1-CB 4.16Å; Y292-V377 HydrophobicContact CD1-CG1 4.28Å; Y292-V377 HydrophobicContact CD2-CB 4.13Å; Y292-V377 HydrophobicContact CD2-CG2 4.31Å; Y292-V377 HydrophobicContact CE1-CB 3.81Å; Y292-V377 HydrophobicContact CE1-CG1 3.63Å; Y292-V377 HydrophobicContact CE1-CG2 4.4Å; Y292-V377 HydrophobicContact CE2-CB 3.8Å; Y292-V377 HydrophobicContact CE2-CG1 4.38Å; Y292-V377 HydrophobicContact CE2-CG2 3.64Å; Y292-V377 HydrophobicContact CG-CB 4.32Å; Y292-V377 PolarHBondContact N-O 3.19Å; Y292-V377 PolarHBondContact O-N 3.35Å; Y292-V377 VanDerWaalsContact O-O 3.08Å; L346-V377 HydrophobicContact CD1-CG1 4.25Å; L346-V377 HydrophobicContact CD1-CG2 4.46Å; L346-V377 HydrophobicContact CD2-CG1 3.88Å
378	C	96.6	Very high	95.7	Very high	5 Å²	5	43.1 Å²	43.1	3%	0.034	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	118.9	173.3	-175.3	0	0	0	0	107.6	A291 L346 F347 L349	A291-C378 HydrophobicContact CB-CB 4.03Å; L346-C378 CarbonylContact C-O 3.48Å; L346-C378 WeakPolarHBondContact CA-O 3.16Å; L346-C378 WeakPolarHBondContact CB-O 3.46Å; L346-C378 WeakPolarHBondContact CD2-O 3.3Å; F347-C378 HydrophobicContact CB-CB 4.36Å; F347-C378 PolarHBondContact N-O 3.4Å; L349-C378 HydrophobicContact CD1-CB 4.18Å
379	G	94.8	Very high	95.8	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	167.8	-172.7	0	0	0	0	0	112.9	H290	H290-G379 PolarHBondContact N-O 2.83Å; H290-G379 PolarHBondContact O-N 2.91Å
380	P	94.1	Very high	95.8	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	139.7	-177.6	31.9	-34.7	0	0	0	111.3	T102 V270 W335 F342 F347	T102-P380 WeakPolarHBondContact CB-O 3.27Å; T102-P380 WeakPolarHBondContact CG2-O 3.23Å; T102-P380 PolarHBondContact OG1-O 2.87Å; V270-P380 HydrophobicContact CG1-CB 4.39Å; W335-P380 HydrophobicContact CE3-CB 3.5Å; W335-P380 HydrophobicContact CE3-CG 4.39Å; W335-P380 HydrophobicContact CZ3-CB 3.49Å; W335-P380 VanDerWaalsContact CZ3-CB 3.49Å; W335-P380 HydrophobicContact CZ3-CG 3.92Å; F342-P380 HydrophobicContact CD1-CG 4.04Å; F342-P380 VanDerWaalsContact CE1-CD 3.48Å; F342-P380 HydrophobicContact CE1-CG 3.57Å; F342-P380 HydrophobicContact CZ-CG 4.12Å; F347-P380 HydrophobicContact CE2-CB 3.91Å; F347-P380 HydrophobicContact CE2-CG 4.23Å; F347-P380 HydrophobicContact CZ-CB 4.25Å
381	E	94.7	Very high	95.9	Very high	14 Å²	14	27.9 Å²	27.9	7%	0.065	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	146.4	177.5	179.4	71.6	-110.7	0	0	110.4	T102 A287 M288 H290 F383 S408	T102-E381 WeakPolarHBondContact CG2-OE2 3.39Å; A287-E381 WeakPolarHBondContact CA-O 3.48Å; M288-E381 PolarHBondContact N-O 3.39Å; M288-E381 PolarHBondContact O-N 3.26Å; H290-E381 HydrophobicContact CB-CB 4.22Å; E381-F383 HydrophobicContact CB-CD2 4.37Å; E381-F383 HydrophobicContact CB-CE2 3.65Å; E381-F383 HydrophobicContact CB-CZ 4.29Å; E381-F383 HydrophobicContact CG-CD2 4.03Å; E381-F383 HydrophobicContact CG-CE1 4.45Å; E381-F383 HydrophobicContact CG-CE2 3.28Å; E381-F383 HydrophobicContact CG-CZ 3.52Å; E381-S408 VanDerWaalsContact CD-CA 3.43Å; E381-S408 VanDerWaalsContact CD-OG 3.25Å; E381-S408 VanDerWaalsContact CG-OG 3.27Å; E381-S408 WeakPolarHBondContact CG-OG 3.42Å; E381-S408 PolarHBondContact OE1-N 2.93Å; E381-S408 VanDerWaalsContact OE1-N 3.14Å; E381-S408 WeakPolarHBondContact OE2-CA 3.38Å; E381-S408 WeakPolarHBondContact OE2-CB 3.39Å; E381-S408 PolarHBondContact OE2-N 3.33Å; E381-S408 PolarHBondContact OE2-OG 3.16Å
382	S	95.3	Very high	96	Very high	5 Å²	5	26.7 Å²	26.7	4%	0.035	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	121.7	179.3	60.2	0	0	0	0	111.9	G405 F406 N407	S382-G405 WeakPolarHBondContact OG-CA 3.34Å; S382-F406 PolarHBondContact OG-N 3.03Å; S382-N407 WeakPolarHBondContact O-CA 3.26Å; S382-N407 PolarHBondContact O-N 3.24Å
383	F	97.4	Very high	96.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	148.9	176.9	-71.6	-81.8	0	0	0	113.5	L285 I286 M288 Y328 E381 N407 S457 Y461	L285-F383 CarbonylContact C-O 3.58Å; L285-F383 VanDerWaalsContact CA-O 3.27Å; L285-F383 WeakPolarHBondContact CA-O 3.31Å; L285-F383 WeakPolarHBondContact CB-O 3.39Å; I286-F383 HydrophobicContact CG2-CB 4.42Å; I286-F383 PolarHBondContact N-O 2.9Å; I286-F383 PolarHBondContact O-N 2.91Å; M288-F383 HydrophobicContact CB-CD2 3.94Å; M288-F383 HydrophobicContact CB-CE2 4.25Å; M288-F383 HydrophobicContact CG-CD2 4.19Å; M288-F383 HydrophobicContact SD-CB 4.13Å; M288-F383 HydrophobicContact SD-CD2 3.72Å; M288-F383 HydrophobicContact SD-CE2 4.45Å; M288-F383 HydrophobicContact SD-CG 4.06Å; Y328-F383 HydrophobicContact CE1-CE1 4.45Å; Y328-F383 HydrophobicContact CE1-CZ 4.23Å; E381-F383 HydrophobicContact CB-CD2 4.37Å; E381-F383 HydrophobicContact CB-CE2 3.65Å; E381-F383 HydrophobicContact CB-CZ 4.29Å; E381-F383 HydrophobicContact CG-CD2 4.03Å; E381-F383 HydrophobicContact CG-CE1 4.45Å; E381-F383 HydrophobicContact CG-CE2 3.28Å; E381-F383 HydrophobicContact CG-CZ 3.52Å; F383-N407 VanDerWaalsContact CA-OD1 3.31Å; F383-N407 WeakPolarHBondContact CA-OD1 3.2Å; F383-N407 HydrophobicContact CD1-CB 3.74Å; F383-N407 HydrophobicContact CE1-CB 3.82Å; F383-S457 PolarHBondContact O-OG 3.4Å; F383-Y461 AromaticContact CD1-CD2 3.87Å; F383-Y461 HydrophobicContact CD1-CD2 3.87Å; F383-Y461 AromaticContact CD2-CD2 3.77Å; F383-Y461 HydrophobicContact CD2-CD2 3.77Å; F383-Y461 HydrophobicContact CD2-CE2 4.21Å; F383-Y461 AromaticContact CE1-CD2 3.55Å; F383-Y461 HydrophobicContact CE1-CD2 3.55Å; F383-Y461 HydrophobicContact CE1-CE2 4.04Å; F383-Y461 AromaticContact CE2-CD2 3.41Å; F383-Y461 HydrophobicContact CE2-CD2 3.41Å; F383-Y461 VanDerWaalsContact CE2-CD2 3.41Å; F383-Y461 AromaticContact CE2-CE2 3.43Å; F383-Y461 HydrophobicContact CE2-CE2 3.43Å; F383-Y461 VanDerWaalsContact CE2-CE2 3.43Å; F383-Y461 AromaticContact CG-CD2 3.99Å; F383-Y461 HydrophobicContact CG-CD2 3.99Å; F383-Y461 AromaticContact CZ-CD2 3.32Å; F383-Y461 HydrophobicContact CZ-CD2 3.32Å; F383-Y461 AromaticContact CZ-CE2 3.35Å; F383-Y461 HydrophobicContact CZ-CE2 3.35Å
384	T	97.8	Very high	96.1	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	157.4	-171.1	55.5	0	0	0	0	111.5	L285 D386 H387 K388 L390 G405 N407 S457 S460	L285-T384 HydrophobicContact CB-CG2 4.24Å; T384-D386 PolarHBondContact O-N 3.34Å; T384-D386 VanDerWaalsContact O-N 3.08Å; T384-H387 PolarHBondContact O-N 3.5Å; T384-H387 PolarHBondContact OG1-N 3.31Å; T384-K388 PolarHBondContact OG1-N 3.49Å; T384-K388 PolarHBondContact OG1-O 2.82Å; T384-L390 HydrophobicContact CG2-CD1 4.25Å; T384-L390 HydrophobicContact CG2-CD2 4.21Å; T384-L390 HydrophobicContact CG2-CG 3.89Å; T384-G405 VanDerWaalsContact CG2-O 3.31Å; T384-G405 WeakPolarHBondContact CG2-O 3.33Å; T384-N407 PolarHBondContact N-OD1 3Å; T384-N407 VanDerWaalsContact OG1-CG 3.31Å; T384-N407 PolarHBondContact OG1-ND2 3.18Å; T384-N407 PolarHBondContact OG1-OD1 2.64Å; T384-S457 WeakPolarHBondContact CA-OG 3.43Å; T384-S457 PolarHBondContact O-OG 2.94Å; T384-S460 WeakPolarHBondContact O-CB 3.49Å; T384-S460 PolarHBondContact O-OG 2.98Å
385	A	95.9	Very high	96	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-16.6	-171	0	0	0	0	0	115.7	F442 W452 R456 S457 S460	A385-F442 HydrophobicContact CB-CZ 4.27Å; A385-W452 HydrophobicContact CB-CE3 4.24Å; A385-W452 HydrophobicContact CB-CH2 3.28Å; A385-W452 HydrophobicContact CB-CZ2 3.65Å; A385-W452 HydrophobicContact CB-CZ3 3.62Å; A385-R456 HydrophobicContact CB-CB 3.63Å; A385-R456 WeakPolarHBondContact O-CB 3.4Å; A385-R456 VanDerWaalsContact O-CZ 3.3Å; A385-R456 PolarHBondContact O-NH2 3.22Å; A385-R456 VanDerWaalsContact O-NH2 3.08Å; A385-S457 PolarHBondContact N-OG 2.91Å; A385-S460 PolarHBondContact O-OG 3.25Å; A385-S460 VanDerWaalsContact O-OG 3.1Å
386	D	93.8	Very high	96.1	Very high	48 Å²	48	16.8 Å²	16.8	26%	0.257	9%	0.087	S	C	.	.	T	Hydrogen-bonded Turn	trans	-131.1	13.9	-180	66.8	-5.9	0	0	0	113.6	T384 K388 R441 F442	T384-D386 PolarHBondContact O-N 3.34Å; T384-D386 VanDerWaalsContact O-N 3.08Å; D386-K388 PolarHBondContact O-N 2.99Å; D386-K388 PolarHBondContact OD1-N 2.77Å; D386-R441 IonicContact OD1-CZ 2.91Å; D386-R441 IonicContact OD1-NE 3.88Å; D386-R441 IonicContact OD1-NH2 2.9Å; D386-R441 PolarHBondContact OD1-NH2 2.91Å; D386-R441 IonicContact OD2-CZ 3.19Å; D386-R441 IonicContact OD2-NE 3.35Å; D386-R441 PolarHBondContact OD2-NE 3.41Å; D386-R441 IonicContact OD2-NH2 3.81Å; D386-R441 PolarHBondContact OD2-NH2 3.22Å; D386-F442 HydrophobicContact CB-CE1 4.33Å; D386-F442 HydrophobicContact CB-CZ 4.25Å; D386-F442 VanDerWaalsContact CG-CZ 3.48Å; D386-F442 WeakPolarHBondContact OD2-CZ 3.33Å
387	H	93.1	Very high	96.2	Very high	45 Å²	45	14.4 Å²	14.4	21%	0.208	7%	0.073	C	C	.	.	S	Bend	trans	60.1	22.7	-177	-152.2	-105.2	0	0	0	114.9	T384 N407 N464	T384-H387 PolarHBondContact O-N 3.5Å; T384-H387 PolarHBondContact OG1-N 3.31Å; H387-N407 WeakPolarHBondContact NE2-CB 3.28Å; H387-N407 PolarHBondContact O-ND2 3.25Å; H387-N464 PolarHBondContact CE1-OD1 2.93Å; H387-N464 PolarHBondContact NE2-OD1 3.46Å
388	K	95.9	Very high	96.3	Very high	60 Å²	60	16 Å²	16	26%	0.261	8%	0.077	S	C	.	.	S	Bend	trans	-116.1	143.4	173.3	-59.2	-57.8	-176	-166.5	0	111.9	E119 T384 D386 N407 G436 Y437 R441	E119-K388 VanDerWaalsContact CD-NZ 3.3Å; E119-K388 IonicContact OE1-NZ 2.67Å; E119-K388 PolarHBondContact OE1-NZ 3.41Å; E119-K388 IonicContact OE2-NZ 2.75Å; E119-K388 PolarHBondContact OE2-NZ 2.92Å; T384-K388 PolarHBondContact OG1-N 3.49Å; T384-K388 PolarHBondContact OG1-O 2.82Å; D386-K388 PolarHBondContact O-N 2.99Å; D386-K388 PolarHBondContact OD1-N 2.77Å; K388-N407 PolarHBondContact N-ND2 2.96Å; K388-G436 VanDerWaalsContact CB-O 3.25Å; K388-G436 WeakPolarHBondContact CB-O 3.17Å; K388-Y437 HydrophobicContact CD-CE2 4.31Å; K388-R441 PolarHBondContact O-NH2 2.82Å
389	P	97.5	Very high	96.4	Very high	2 Å²	2	16.2 Å²	16.2	1%	0.013	8%	0.08	C	C	.	.			trans	-52.4	158.2	175.9	-26.7	34.2	0	0	0	114.7	M391 G405 F406 L413 Y437 R441	P389-M391 HydrophobicContact CB-CG 4.19Å; P389-M391 HydrophobicContact CB-SD 4.43Å; P389-G405 WeakPolarHBondContact CA-O 3.42Å; P389-F406 HydrophobicContact CB-CD1 4.11Å; P389-F406 HydrophobicContact CB-CD2 4.29Å; P389-F406 HydrophobicContact CB-CE1 3.97Å; P389-F406 HydrophobicContact CB-CE2 4.13Å; P389-F406 HydrophobicContact CB-CG 4.26Å; P389-F406 HydrophobicContact CB-CZ 3.98Å; P389-F406 HydrophobicContact CG-CD1 3.6Å; P389-F406 HydrophobicContact CG-CE1 3.71Å; P389-F406 HydrophobicContact CG-CG 4.08Å; P389-F406 HydrophobicContact CG-CZ 4.24Å; P389-L413 HydrophobicContact CG-CD1 4.37Å; P389-Y437 HydrophobicContact CB-CD1 3.93Å; P389-Y437 HydrophobicContact CB-CE1 4.26Å; P389-Y437 VanDerWaalsContact CD-CE1 3.46Å; P389-Y437 HydrophobicContact CG-CD1 3.81Å; P389-Y437 HydrophobicContact CG-CE1 3.61Å; P389-Y437 VanDerWaalsContact O-O 3.1Å; P389-R441 PolarHBondContact O-NH1 3.16Å; P389-R441 PolarHBondContact O-NH2 3.31Å
390	L	98.4	Very high	96.6	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	111.4	171.8	-56.6	178.3	0	0	0	108.4	V283 P284 L285 T384 L402 G403 C404 I439 F442	V283-L390 HydrophobicContact CG1-CD1 3.61Å; P284-L390 HydrophobicContact CG-CD1 4.21Å; P284-L390 HydrophobicContact CG-CD2 4.2Å; L285-L390 HydrophobicContact CB-CD1 4.22Å; L285-L390 HydrophobicContact CD2-CD1 4.33Å; T384-L390 HydrophobicContact CG2-CD1 4.25Å; T384-L390 HydrophobicContact CG2-CD2 4.21Å; T384-L390 HydrophobicContact CG2-CG 3.89Å; L390-L402 HydrophobicContact CB-CB 4.46Å; L390-L402 HydrophobicContact CB-CD1 4.11Å; L390-L402 CarbonylContact O-C 3.36Å; L390-L402 WeakPolarHBondContact O-CB 3.47Å; L390-G403 PolarHBondContact O-N 3.46Å; L390-C404 PolarHBondContact N-O 3.19Å; L390-C404 PolarHBondContact O-N 2.83Å; L390-I439 HydrophobicContact CD2-CD1 4.13Å; L390-F442 HydrophobicContact CD2-CD2 4.3Å; L390-F442 HydrophobicContact CD2-CE2 3.75Å
391	M	98.5	Very high	96.8	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	159.3	-175.8	-63	-176.5	72	0	0	112.4	P389 L402 C417 L421 W424 M434 Y437 D438 I439	P389-M391 HydrophobicContact CB-CG 4.19Å; P389-M391 HydrophobicContact CB-SD 4.43Å; M391-L402 WeakPolarHBondContact CA-O 3.41Å; M391-C417 HydrophobicContact CE-CB 3.68Å; M391-C417 WeakPolarHBondContact CE-O 3.3Å; M391-C417 HydrophobicContact SD-CB 3.82Å; M391-L421 HydrophobicContact CE-CB 3.75Å; M391-L421 HydrophobicContact CE-CD2 4.46Å; M391-W424 HydrophobicContact CB-CZ3 4.27Å; M391-M434 HydrophobicContact CE-CE 4.29Å; M391-M434 HydrophobicContact SD-CE 3.91Å; M391-Y437 WeakPolarHBondContact CB-O 3.27Å; M391-Y437 PolarHBondContact N-O 2.79Å; M391-Y437 HydrophobicContact SD-CD1 3.68Å; M391-Y437 HydrophobicContact SD-CG 4.39Å; M391-D438 CarbonylContact O-C 3.32Å; M391-D438 WeakPolarHBondContact O-CA 3.4Å; M391-I439 PolarHBondContact O-N 2.87Å
392	G	97.8	Very high	97	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	98	178.3	172.3	0	0	0	0	0	114.5	F401 L402	G392-F401 CarbonylContact O-C 3.58Å; G392-F401 VanDerWaalsContact O-CA 3.3Å; G392-F401 WeakPolarHBondContact O-CA 3.28Å; G392-L402 PolarHBondContact N-O 2.98Å; G392-L402 PolarHBondContact O-N 3.14Å
393	E	97.9	Very high	97.2	Very high	28 Å²	28	15.9 Å²	15.9	13%	0.131	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	125.9	179.7	-168.1	-179.3	-157.1	0	0	110.4	R398 G399 Y400 F401	E393-R398 WeakPolarHBondContact OE1-CA 3.07Å; E393-R398 WeakPolarHBondContact OE1-CB 3.44Å; E393-R398 WeakPolarHBondContact OE1-CD 3.38Å; E393-R398 IonicContact OE1-NE 2.73Å; E393-R398 PolarHBondContact OE1-NE 3.16Å; E393-R398 IonicContact OE2-NE 3.62Å; E393-R398 PolarHBondContact OE2-NE 3Å; E393-G399 PolarHBondContact OE1-N 3.21Å; E393-Y400 WeakPolarHBondContact CA-O 3.22Å; E393-F401 HydrophobicContact CB-CD1 4.14Å; E393-F401 HydrophobicContact CB-CE1 3.8Å; E393-F401 HydrophobicContact CB-CE2 4.44Å; E393-F401 HydrophobicContact CB-CZ 3.96Å; E393-F401 HydrophobicContact CG-CE2 4.34Å; E393-F401 HydrophobicContact CG-CZ 4.25Å
394	A	97.1	Very high	97.2	Very high	2 Å²	2	16 Å²	16	2%	0.017	8%	0.079	C	C	.	.			trans	-66.5	137.3	179.2	0	0	0	0	0	111.5	V281 E396 Y400	V281-A394 HydrophobicContact CB-CB 4.44Å; V281-A394 HydrophobicContact CG1-CB 3.55Å; V281-A394 HydrophobicContact CG2-CB 3.97Å; A394-E396 VanDerWaalsContact C-N 3.25Å; A394-E396 PolarHBondContact O-N 2.68Å; A394-Y400 HydrophobicContact CB-CD1 4.1Å; A394-Y400 WeakPolarHBondContact CB-O 2.83Å; A394-Y400 PolarHBondContact N-O 3.19Å
395	P	94.8	Very high	97.2	Very high	26 Å²	26	16 Å²	16	17%	0.169	8%	0.079	C	C	.	.	S	Bend	trans	-68.2	-20.5	-177.5	27.6	-34.5	0	0	0	113.8	R440 N655 R658	P395-R440 HydrophobicContact CB-CG 4.49Å; P395-R440 HydrophobicContact CG-CG 4.5Å; P395-N655 VanDerWaalsContact CB-OD1 3.29Å; P395-N655 WeakPolarHBondContact CB-OD1 3.47Å; P395-R658 PolarHBondContact O-NH1 2.69Å; P395-R658 PolarHBondContact O-NH2 2.85Å
396	E	96.5	Very high	97.2	Very high	49 Å²	49	16.5 Å²	16.5	23%	0.229	8%	0.081	C	C	.	.	S	Bend	trans	-81.4	-32.2	-176.4	-55.3	86.7	165.1	0	0	113.2	G280 V281 N282 A394	G280-E396 WeakPolarHBondContact O-CB 3.44Å; V281-E396 HydrophobicContact CG2-CB 4.24Å; N282-E396 PolarHBondContact N-OE1 2.73Å; A394-E396 VanDerWaalsContact C-N 3.25Å; A394-E396 PolarHBondContact O-N 2.68Å
397	V	98	Very high	97.3	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.069	C	C	.	.	S	Bend	trans	-143.2	115.9	-172.6	-175.6	0	0	0	0	111.2	V239 K247 V249 A279 V281 Y400	V239-V397 HydrophobicContact CG1-CG1 3.95Å; V239-V397 HydrophobicContact CG1-CG2 4.32Å; V239-V397 HydrophobicContact CG2-CG1 4Å; V239-V397 HydrophobicContact CG2-CG2 4.36Å; K247-V397 HydrophobicContact CB-CG1 4.47Å; K247-V397 HydrophobicContact CB-CG2 4.17Å; K247-V397 HydrophobicContact CD-CG2 4.32Å; V249-V397 HydrophobicContact CG2-CG1 3.93Å; A279-V397 WeakPolarHBondContact O-CG2 3.42Å; V281-V397 HydrophobicContact CG2-CB 4.08Å; V281-V397 HydrophobicContact CG2-CG2 3.86Å; V397-Y400 WeakPolarHBondContact O-CB 3.19Å; V397-Y400 PolarHBondContact O-N 2.66Å
398	R	97.6	Very high	97.2	Very high	52 Å²	52	13.1 Å²	13.1	20%	0.196	7%	0.066	C	C	.	.	B	Isolated β-bridge	trans	-64	140.3	176.2	-59.9	-68.5	-62.4	-87.7	-0	111.1	V246 K247 K248 V249 E393 Y400 D663	V246-R398 HydrophobicContact CG1-CG 3.62Å; K247-R398 PolarHBondContact O-N 2.88Å; K248-R398 WeakPolarHBondContact CA-O 3.39Å; K248-R398 HydrophobicContact CG-CB 4.15Å; V249-R398 PolarHBondContact N-O 3.11Å; E393-R398 WeakPolarHBondContact OE1-CA 3.07Å; E393-R398 WeakPolarHBondContact OE1-CB 3.44Å; E393-R398 WeakPolarHBondContact OE1-CD 3.38Å; E393-R398 IonicContact OE1-NE 2.73Å; E393-R398 PolarHBondContact OE1-NE 3.16Å; E393-R398 IonicContact OE2-NE 3.62Å; E393-R398 PolarHBondContact OE2-NE 3Å; R398-Y400 VanDerWaalsContact C-N 3.27Å; R398-D663 IonicContact CZ-OD1 3.29Å; R398-D663 IonicContact NH1-OD1 3.77Å; R398-D663 PolarHBondContact NH1-OD1 3.16Å; R398-D663 IonicContact NH2-OD1 3.84Å; R398-D663 PolarHBondContact NH2-OD1 2.89Å; R398-D663 IonicContact NH2-OD2 2.69Å
399	G	98	Very high	97.1	Very high	10 Å²	10	11 Å²	11	10%	0.103	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.8	-3.9	-175.5	0	0	0	0	0	114.8	C263 V264 E393	C263-G399 CarbonylContact C-O 3.59Å; C263-G399 VanDerWaalsContact CA-O 3.28Å; C263-G399 WeakPolarHBondContact CA-O 3.24Å; V264-G399 PolarHBondContact N-O 3.24Å; E393-G399 PolarHBondContact OE1-N 3.21Å
400	Y	98.8	Very high	96.9	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	113.8	173	-165	-80.7	0	0	0	109.6	I237 V249 V264 N266 L275 G276 A279 V281 E393 A394 V397 R398 L402	I237-Y400 HydrophobicContact CG1-CE2 4.37Å; I237-Y400 HydrophobicContact CG2-CD2 4.44Å; I237-Y400 HydrophobicContact CG2-CE2 4.46Å; V249-Y400 HydrophobicContact CG2-CD2 4.32Å; V264-Y400 HydrophobicContact CB-CD2 4.16Å; V264-Y400 HydrophobicContact CG1-CD2 3.9Å; V264-Y400 HydrophobicContact CG1-CE2 3.78Å; N266-Y400 HydrophobicContact CB-CE1 3.96Å; N266-Y400 PolarHBondContact ND2-OH 3.05Å; L275-Y400 PolarHBondContact O-OH 3.4Å; G276-Y400 WeakPolarHBondContact CA-OH 3.27Å; G276-Y400 PolarHBondContact N-OH 3.25Å; A279-Y400 HydrophobicContact CB-CD2 3.72Å; A279-Y400 HydrophobicContact CB-CE2 3.54Å; V281-Y400 HydrophobicContact CB-CD1 4.22Å; V281-Y400 HydrophobicContact CB-CE1 4.14Å; V281-Y400 HydrophobicContact CG1-CD1 3.99Å; V281-Y400 HydrophobicContact CG1-CE1 3.93Å; V281-Y400 HydrophobicContact CG2-CD1 3.86Å; V281-Y400 HydrophobicContact CG2-CE1 4.23Å; V281-Y400 HydrophobicContact CG2-CG 4.04Å; E393-Y400 WeakPolarHBondContact CA-O 3.22Å; A394-Y400 HydrophobicContact CB-CD1 4.1Å; A394-Y400 WeakPolarHBondContact CB-O 2.83Å; A394-Y400 PolarHBondContact N-O 3.19Å; V397-Y400 WeakPolarHBondContact O-CB 3.19Å; V397-Y400 PolarHBondContact O-N 2.66Å; R398-Y400 VanDerWaalsContact C-N 3.27Å; Y400-L402 HydrophobicContact CD1-CD2 4.24Å; Y400-L402 HydrophobicContact CE1-CD2 3.71Å
401	F	98.9	Very high	96.7	Very high	12 Å²	12	11.8 Å²	11.8	5%	0.053	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	144.7	-178.3	-73.4	-101.1	0	0	0	111.5	C263 V264 V265 N266 G392 E393 L421 W424 I425	C263-F401 VanDerWaalsContact SG-CD2 3.58Å; V264-F401 PolarHBondContact O-N 3.17Å; V265-F401 WeakPolarHBondContact CA-O 3.42Å; V265-F401 HydrophobicContact CB-CB 4.49Å; V265-F401 HydrophobicContact CG1-CB 4.13Å; V265-F401 HydrophobicContact CG2-CB 4.35Å; N266-F401 PolarHBondContact N-O 3.48Å; G392-F401 CarbonylContact O-C 3.58Å; G392-F401 VanDerWaalsContact O-CA 3.3Å; G392-F401 WeakPolarHBondContact O-CA 3.28Å; E393-F401 HydrophobicContact CB-CD1 4.14Å; E393-F401 HydrophobicContact CB-CE1 3.8Å; E393-F401 HydrophobicContact CB-CE2 4.44Å; E393-F401 HydrophobicContact CB-CZ 3.96Å; E393-F401 HydrophobicContact CG-CE2 4.34Å; E393-F401 HydrophobicContact CG-CZ 4.25Å; F401-L421 HydrophobicContact CB-CD1 4.46Å; F401-L421 HydrophobicContact CD1-CD1 4.22Å; F401-W424 HydrophobicContact CE1-CB 4.22Å; F401-W424 AromaticContact CE1-CD1 3.74Å; F401-W424 HydrophobicContact CE1-CG 4.03Å; F401-I425 HydrophobicContact CD1-CG1 3.99Å; F401-I425 HydrophobicContact CD2-CG1 4.17Å; F401-I425 HydrophobicContact CE1-CG1 4.09Å; F401-I425 HydrophobicContact CE2-CG1 4.27Å; F401-I425 HydrophobicContact CG-CG1 4.04Å; F401-I425 HydrophobicContact CZ-CG1 4.23Å
402	L	98.8	Very high	96.5	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	148.3	170.1	-58.3	-173.6	0	0	0	111.5	N266 V283 L390 M391 G392 Y400 I439	N266-L402 HydrophobicContact CB-CD2 4.02Å; V283-L402 HydrophobicContact CG1-CD1 4.35Å; V283-L402 HydrophobicContact CG2-CD1 4.31Å; V283-L402 HydrophobicContact CG2-CD2 3.88Å; L390-L402 HydrophobicContact CB-CB 4.46Å; L390-L402 HydrophobicContact CB-CD1 4.11Å; L390-L402 CarbonylContact O-C 3.36Å; L390-L402 WeakPolarHBondContact O-CB 3.47Å; M391-L402 WeakPolarHBondContact CA-O 3.41Å; G392-L402 PolarHBondContact N-O 2.98Å; G392-L402 PolarHBondContact O-N 3.14Å; Y400-L402 HydrophobicContact CD1-CD2 4.24Å; Y400-L402 HydrophobicContact CE1-CD2 3.71Å; L402-I439 HydrophobicContact CD1-CB 3.97Å; L402-I439 HydrophobicContact CD1-CD1 3.86Å; L402-I439 HydrophobicContact CD1-CG1 3.76Å; L402-I439 HydrophobicContact CD1-CG2 4.47Å
403	G	98.5	Very high	96.5	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	58.8	170.7	0	0	0	0	0	109.5	I74 N266 L390	I74-G403 WeakPolarHBondContact CG2-O 3.47Å; N266-G403 CarbonylContact O-C 3.46Å; N266-G403 PolarHBondContact O-N 2.94Å; L390-G403 PolarHBondContact O-N 3.46Å
404	C	98.3	Very high	96.3	Very high	2 Å²	2	11.5 Å²	11.5	1%	0.014	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	-175.5	-170.2	63.1	0	0	0	0	112.7	A272 L285 L390	A272-C404 HydrophobicContact CB-CB 3.64Å; L285-C404 HydrophobicContact CD2-CB 4.29Å; L390-C404 PolarHBondContact N-O 3.19Å; L390-C404 PolarHBondContact O-N 2.83Å
405	G	97.1	Very high	96.3	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.064	C	C	.	.			trans	70	39.1	174.4	0	0	0	0	0	114.9	S382 T384 P389 N407	S382-G405 WeakPolarHBondContact OG-CA 3.34Å; T384-G405 VanDerWaalsContact CG2-O 3.31Å; T384-G405 WeakPolarHBondContact CG2-O 3.33Å; P389-G405 WeakPolarHBondContact CA-O 3.42Å; G405-N407 VanDerWaalsContact C-N 3.33Å; G405-N407 PolarHBondContact O-N 3.3Å; G405-N407 PolarHBondContact O-ND2 3.17Å
406	F	96.3	Very high	96.5	Very high	10 Å²	10	10.2 Å²	10.2	4%	0.044	6%	0.056	C	C	.	.			trans	-78.1	-1.4	-166	-87.7	-95.6	0	0	0	116.7	I74 S382 P389 S408 A409 L413 C417	I74-F406 HydrophobicContact CB-CE2 4.02Å; I74-F406 HydrophobicContact CB-CZ 4.32Å; I74-F406 HydrophobicContact CD1-CE1 4.33Å; I74-F406 HydrophobicContact CD1-CE2 4.03Å; I74-F406 HydrophobicContact CD1-CZ 3.54Å; I74-F406 HydrophobicContact CG1-CE2 3.65Å; I74-F406 HydrophobicContact CG1-CZ 3.72Å; I74-F406 HydrophobicContact CG2-CE2 4.26Å; S382-F406 PolarHBondContact OG-N 3.03Å; P389-F406 HydrophobicContact CB-CD1 4.11Å; P389-F406 HydrophobicContact CB-CD2 4.29Å; P389-F406 HydrophobicContact CB-CE1 3.97Å; P389-F406 HydrophobicContact CB-CE2 4.13Å; P389-F406 HydrophobicContact CB-CG 4.26Å; P389-F406 HydrophobicContact CB-CZ 3.98Å; P389-F406 HydrophobicContact CG-CD1 3.6Å; P389-F406 HydrophobicContact CG-CE1 3.71Å; P389-F406 HydrophobicContact CG-CG 4.08Å; P389-F406 HydrophobicContact CG-CZ 4.24Å; F406-S408 PolarHBondContact O-N 3.44Å; F406-A409 WeakPolarHBondContact O-CB 3.42Å; F406-A409 PolarHBondContact O-N 2.82Å; F406-L413 HydrophobicContact CD1-CB 4.46Å; F406-L413 HydrophobicContact CE1-CB 4.3Å; F406-C417 HydrophobicContact CE1-CB 3.92Å; F406-C417 HydrophobicContact CZ-CB 3.98Å
407	N	94.8	Very high	96.6	Very high	4 Å²	4	7.9 Å²	7.9	2%	0.021	5%	0.045	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	48.5	174.9	-40.3	-78.8	0	0	0	113.3	S382 F383 T384 H387 K388 G405 A409	S382-N407 WeakPolarHBondContact O-CA 3.26Å; S382-N407 PolarHBondContact O-N 3.24Å; F383-N407 VanDerWaalsContact CA-OD1 3.31Å; F383-N407 WeakPolarHBondContact CA-OD1 3.2Å; F383-N407 HydrophobicContact CD1-CB 3.74Å; F383-N407 HydrophobicContact CE1-CB 3.82Å; T384-N407 PolarHBondContact N-OD1 3Å; T384-N407 VanDerWaalsContact OG1-CG 3.31Å; T384-N407 PolarHBondContact OG1-ND2 3.18Å; T384-N407 PolarHBondContact OG1-OD1 2.64Å; H387-N407 WeakPolarHBondContact NE2-CB 3.28Å; H387-N407 PolarHBondContact O-ND2 3.25Å; K388-N407 PolarHBondContact N-ND2 2.96Å; G405-N407 VanDerWaalsContact C-N 3.33Å; G405-N407 PolarHBondContact O-N 3.3Å; G405-N407 PolarHBondContact O-ND2 3.17Å; N407-A409 PolarHBondContact O-N 2.68Å
408	S	91.6	Very high	96.6	Very high	19 Å²	19	7.9 Å²	7.9	13%	0.133	5%	0.045	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	4.6	-172.5	-58.4	0	0	0	0	117.3	Y328 E381 F406	Y328-S408 WeakPolarHBondContact OH-CB 3.38Å; E381-S408 VanDerWaalsContact CD-CA 3.43Å; E381-S408 VanDerWaalsContact CD-OG 3.25Å; E381-S408 VanDerWaalsContact CG-OG 3.27Å; E381-S408 WeakPolarHBondContact CG-OG 3.42Å; E381-S408 PolarHBondContact OE1-N 2.93Å; E381-S408 VanDerWaalsContact OE1-N 3.14Å; E381-S408 WeakPolarHBondContact OE2-CA 3.38Å; E381-S408 WeakPolarHBondContact OE2-CB 3.39Å; E381-S408 PolarHBondContact OE2-N 3.33Å; E381-S408 PolarHBondContact OE2-OG 3.16Å; F406-S408 PolarHBondContact O-N 3.44Å
409	A	93.6	Very high	96.7	Very high	16 Å²	16	8.5 Å²	8.5	13%	0.132	5%	0.047	C	C	.	.			trans	-94.2	9.9	176.7	0	0	0	0	0	113.9	F406 N407 M411 M412 L413	F406-A409 WeakPolarHBondContact O-CB 3.42Å; F406-A409 PolarHBondContact O-N 2.82Å; N407-A409 PolarHBondContact O-N 2.68Å; A409-M411 PolarHBondContact O-N 2.74Å; A409-M412 WeakPolarHBondContact O-CB 3.3Å; A409-M412 PolarHBondContact O-N 2.85Å; A409-L413 HydrophobicContact CB-CD1 3.77Å; A409-L413 HydrophobicContact CB-CG 4.13Å; A409-L413 PolarHBondContact O-N 3.45Å
410	G	93.1	Very high	96.7	Very high	9 Å²	9	8.2 Å²	8.2	9%	0.093	4%	0.043	C	C	.	.	H	α-helix	trans	-56.1	-47.3	-171.2	0	0	0	0	0	115.1	G414	G410-G414 WeakPolarHBondContact O-CA 3.21Å; G410-G414 PolarHBondContact O-N 3.03Å
411	M	94.6	Very high	96.7	Very high	8 Å²	8	8.2 Å²	8.2	4%	0.039	4%	0.043	C	C	.	.	H	α-helix	trans	-68.8	-37.4	174.7	-67.9	-57.4	-53	0	0	112.5	S73 T103 T106 M208 P210 T213 A409	S73-M411 WeakPolarHBondContact CB-SD 3.2Å; T103-M411 HydrophobicContact CG2-SD 4.01Å; T106-M411 HydrophobicContact CG2-CG 3.45Å; T106-M411 VanDerWaalsContact CG2-CG 3.45Å; M208-M411 HydrophobicContact CE-CB 4.36Å; M208-M411 HydrophobicContact CG-CE 3.91Å; M208-M411 HydrophobicContact SD-CB 4.18Å; M208-M411 HydrophobicContact SD-CE 3.39Å; M208-M411 WeakPolarHBondContact SD-CE 3.39Å; P210-M411 HydrophobicContact CB-CE 4.31Å; P210-M411 HydrophobicContact CB-CG 4.27Å; P210-M411 HydrophobicContact CB-SD 3.99Å; T213-M411 HydrophobicContact CG2-CE 3.87Å; A409-M411 PolarHBondContact O-N 2.74Å
412	M	95	Very high	96.7	Very high	14 Å²	14	7.6 Å²	7.6	7%	0.069	4%	0.041	C	C	.	.	H	α-helix	trans	-70.8	-47.1	-172.5	-177.9	-171.8	-33.7	0	0	112.1	W111 R114 L123 T126 A409	W111-M412 HydrophobicContact CB-SD 4.43Å; R114-M412 PolarHBondContact NH2-SD 2.83Å; L123-M412 HydrophobicContact CD2-CG 3.45Å; L123-M412 VanDerWaalsContact CD2-CG 3.45Å; L123-M412 HydrophobicContact CD2-SD 4.12Å; T126-M412 WeakPolarHBondContact CB-O 3.49Å; T126-M412 WeakPolarHBondContact CG2-O 3.29Å; T126-M412 PolarHBondContact OG1-O 3.2Å; T126-M412 VanDerWaalsContact OG1-O 3.09Å; A409-M412 WeakPolarHBondContact O-CB 3.3Å; A409-M412 PolarHBondContact O-N 2.85Å
413	L	96.5	Very high	96.7	Very high	9 Å²	9	8.2 Å²	8.2	5%	0.047	4%	0.043	C	C	.	.	H	α-helix	trans	-90.5	-12.3	178.3	-66.3	172.9	0	0	0	112.7	L123 P389 F406 A409 G415 G416 C417 Y437	L123-L413 HydrophobicContact CD2-CD2 3.92Å; L123-L413 HydrophobicContact CG-CD2 4.04Å; P389-L413 HydrophobicContact CG-CD1 4.37Å; F406-L413 HydrophobicContact CD1-CB 4.46Å; F406-L413 HydrophobicContact CE1-CB 4.3Å; A409-L413 HydrophobicContact CB-CD1 3.77Å; A409-L413 HydrophobicContact CB-CG 4.13Å; A409-L413 PolarHBondContact O-N 3.45Å; L413-G415 PolarHBondContact O-N 2.96Å; L413-G416 PolarHBondContact O-N 3.4Å; L413-C417 WeakPolarHBondContact O-CB 3.49Å; L413-C417 PolarHBondContact O-N 3.41Å; L413-Y437 HydrophobicContact CD1-CE1 4.29Å
414	G	95.6	Very high	96.6	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-56	-39.8	-165.3	0	0	0	0	0	115.8	Q77 G410 G418	Q77-G414 VanDerWaalsContact CB-O 3.31Å; Q77-G414 WeakPolarHBondContact CB-O 3.39Å; Q77-G414 WeakPolarHBondContact CG-O 3.5Å; G410-G414 WeakPolarHBondContact O-CA 3.21Å; G410-G414 PolarHBondContact O-N 3.03Å; G414-G418 WeakPolarHBondContact O-CA 3.47Å; G414-G418 PolarHBondContact O-N 2.92Å
415	G	97.1	Very high	96.6	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-68.9	-54.3	177.5	0	0	0	0	0	111.7	H81 T126 L413 C417 G418 R419	H81-G415 PolarHBondContact NE2-O 3.45Å; T126-G415 WeakPolarHBondContact OG1-CA 3.21Å; T126-G415 PolarHBondContact OG1-N 2.98Å; L413-G415 PolarHBondContact O-N 2.96Å; G415-C417 PolarHBondContact O-N 3.43Å; G415-G418 PolarHBondContact O-N 3.26Å; G415-R419 WeakPolarHBondContact O-CB 3.49Å; G415-R419 PolarHBondContact O-N 3.42Å
416	G	98.2	Very high	96.7	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-52.5	-54.1	174.3	0	0	0	0	0	112.8	L122 T126 L413 R419 E420	L122-G416 VanDerWaalsContact CD2-C 3.46Å; L122-G416 WeakPolarHBondContact O-CA 3.37Å; T126-G416 PolarHBondContact OG1-N 2.9Å; L413-G416 PolarHBondContact O-N 3.4Å; G416-R419 PolarHBondContact O-N 2.91Å; G416-E420 PolarHBondContact O-N 2.81Å; G416-E420 VanDerWaalsContact O-N 3.08Å
417	C	98.6	Very high	96.6	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-63.3	-43.2	179.3	-73.5	0	0	0	0	112.3	I74 M391 F406 L413 G415 R419 E420 L421	I74-C417 HydrophobicContact CD1-CB 4.15Å; M391-C417 HydrophobicContact CE-CB 3.68Å; M391-C417 WeakPolarHBondContact CE-O 3.3Å; M391-C417 HydrophobicContact SD-CB 3.82Å; F406-C417 HydrophobicContact CE1-CB 3.92Å; F406-C417 HydrophobicContact CZ-CB 3.98Å; L413-C417 WeakPolarHBondContact O-CB 3.49Å; L413-C417 PolarHBondContact O-N 3.41Å; G415-C417 PolarHBondContact O-N 3.43Å; C417-R419 VanDerWaalsContact C-N 3.32Å; C417-R419 PolarHBondContact O-N 3.38Å; C417-E420 PolarHBondContact O-N 3.49Å; C417-L421 VanDerWaalsContact O-CB 3.3Å; C417-L421 WeakPolarHBondContact O-CB 3.21Å; C417-L421 PolarHBondContact O-N 2.8Å
418	G	98.5	Very high	96.5	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-60.5	-39.9	176.5	0	0	0	0	0	112.6	H81 G414 G415 A422	H81-G418 VanDerWaalsContact CD2-C 3.4Å; G414-G418 WeakPolarHBondContact O-CA 3.47Å; G414-G418 PolarHBondContact O-N 2.92Å; G415-G418 PolarHBondContact O-N 3.26Å; G418-A422 VanDerWaalsContact O-CB 3.31Å; G418-A422 WeakPolarHBondContact O-CB 3.36Å; G418-A422 PolarHBondContact O-N 2.79Å
419	R	98.6	Very high	96.6	Very high	66 Å²	66	20.9 Å²	20.9	25%	0.249	11%	0.114	C	C	.	.	H	α-helix	trans	-64.6	-44.7	174.8	174.1	169.7	178.4	-92.1	1.5	112.4	H81 M85 H125 G415 G416 C417 K423 E431	H81-R419 PolarHBondContact CD2-N 2.84Å; M85-R419 HydrophobicContact CE-CG 3.88Å; H125-R419 VanDerWaalsContact CD2-CD 3.43Å; H125-R419 WeakPolarHBondContact CD2-CD 3.31Å; H125-R419 WeakPolarHBondContact NE2-CD 3.42Å; G415-R419 WeakPolarHBondContact O-CB 3.49Å; G415-R419 PolarHBondContact O-N 3.42Å; G416-R419 PolarHBondContact O-N 2.91Å; C417-R419 VanDerWaalsContact C-N 3.32Å; C417-R419 PolarHBondContact O-N 3.38Å; R419-K423 WeakPolarHBondContact O-CG 3.31Å; R419-K423 PolarHBondContact O-N 3.06Å; R419-E431 IonicContact CZ-OE2 3.48Å; R419-E431 IonicContact NH1-OE2 2.89Å; R419-E431 IonicContact NH2-OE2 3.21Å; R419-E431 PolarHBondContact NH2-OE2 3.22Å
420	E	98.6	Very high	96.7	Very high	3 Å²	3	20.9 Å²	20.9	1%	0.014	11%	0.112	C	C	.	.	H	α-helix	trans	-72.7	-32.9	179.1	-60.6	-46.3	130.1	0	0	112.3	L122 G416 C417 K423 W424 P430 E431 K432 M434	L122-E420 HydrophobicContact CD2-CG 3.77Å; G416-E420 PolarHBondContact O-N 2.81Å; G416-E420 VanDerWaalsContact O-N 3.08Å; C417-E420 PolarHBondContact O-N 3.49Å; E420-K423 PolarHBondContact O-N 3.03Å; E420-K423 IonicContact OE1-NZ 3.71Å; E420-K423 PolarHBondContact OE1-NZ 2.91Å; E420-K423 IonicContact OE2-NZ 3.07Å; E420-K423 PolarHBondContact OE2-NZ 2.9Å; E420-W424 WeakPolarHBondContact O-CB 3.38Å; E420-W424 PolarHBondContact O-N 2.8Å; E420-P430 HydrophobicContact CB-CB 4.16Å; E420-E431 VanDerWaalsContact OE2-CB 3.3Å; E420-E431 WeakPolarHBondContact OE2-CB 3.46Å; E420-E431 PolarHBondContact OE2-N 2.82Å; E420-K432 HydrophobicContact CG-CG 4.3Å; E420-K432 PolarHBondContact OE2-N 3.25Å; E420-M434 HydrophobicContact CB-CE 4.32Å; E420-M434 HydrophobicContact CB-CG 4.15Å; E420-M434 HydrophobicContact CB-SD 4.16Å; E420-M434 HydrophobicContact CG-CG 4.4Å; E420-M434 HydrophobicContact CG-SD 4.01Å
421	L	98.8	Very high	96.7	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-66.9	-43.7	173.5	-173.3	53.8	0	0	0	112	T78 V265 M391 F401 C417 K423 W424 I425	T78-L421 HydrophobicContact CG2-CD2 4.31Å; T78-L421 HydrophobicContact CG2-CG 4.44Å; V265-L421 HydrophobicContact CG1-CD2 3.84Å; V265-L421 HydrophobicContact CG1-CG 4.41Å; M391-L421 HydrophobicContact CE-CB 3.75Å; M391-L421 HydrophobicContact CE-CD2 4.46Å; F401-L421 HydrophobicContact CB-CD1 4.46Å; F401-L421 HydrophobicContact CD1-CD1 4.22Å; C417-L421 VanDerWaalsContact O-CB 3.3Å; C417-L421 WeakPolarHBondContact O-CB 3.21Å; C417-L421 PolarHBondContact O-N 2.8Å; L421-K423 VanDerWaalsContact C-N 3.33Å; L421-K423 PolarHBondContact O-N 3.31Å; L421-W424 WeakPolarHBondContact O-CA 3.43Å; L421-W424 VanDerWaalsContact O-CB 3.28Å; L421-W424 WeakPolarHBondContact O-CB 3.17Å; L421-W424 PolarHBondContact O-N 3.21Å; L421-I425 HydrophobicContact CD1-CD1 4.45Å; L421-I425 HydrophobicContact CG-CD1 4.18Å; L421-I425 WeakPolarHBondContact O-CD1 3.3Å; L421-I425 WeakPolarHBondContact O-CG1 3.47Å; L421-I425 PolarHBondContact O-N 2.99Å
422	A	98.8	Very high	96.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-57.9	-43.9	174.3	0	0	0	0	0	111.9	H81 L82 M85 G418 W424 I425 I426	H81-A422 HydrophobicContact CB-CB 3.65Å; L82-A422 HydrophobicContact CD2-CB 3.86Å; L82-A422 HydrophobicContact CG-CB 3.98Å; M85-A422 HydrophobicContact CE-CB 4.22Å; M85-A422 HydrophobicContact SD-CB 4.15Å; G418-A422 VanDerWaalsContact O-CB 3.31Å; G418-A422 WeakPolarHBondContact O-CB 3.36Å; G418-A422 PolarHBondContact O-N 2.79Å; A422-W424 VanDerWaalsContact C-N 3.33Å; A422-W424 PolarHBondContact O-N 2.82Å; A422-I425 PolarHBondContact O-N 2.89Å; A422-I426 VanDerWaalsContact O-CG1 3.26Å; A422-I426 WeakPolarHBondContact O-CG1 3.39Å; A422-I426 PolarHBondContact O-N 3.25Å
423	K	98.1	Very high	96.8	Very high	12 Å²	12	25.9 Å²	25.9	5%	0.052	13%	0.133	C	C	.	.	H	α-helix	trans	-63.8	-37.7	172.1	-71.5	-178.2	-135.7	157.1	0	112.9	M85 R419 E420 L421 I425 I426 H427 R429 E431	M85-K423 HydrophobicContact CE-CG 3.87Å; M85-K423 HydrophobicContact SD-CG 3.85Å; R419-K423 WeakPolarHBondContact O-CG 3.31Å; R419-K423 PolarHBondContact O-N 3.06Å; E420-K423 PolarHBondContact O-N 3.03Å; E420-K423 IonicContact OE1-NZ 3.71Å; E420-K423 PolarHBondContact OE1-NZ 2.91Å; E420-K423 IonicContact OE2-NZ 3.07Å; E420-K423 PolarHBondContact OE2-NZ 2.9Å; L421-K423 VanDerWaalsContact C-N 3.33Å; L421-K423 PolarHBondContact O-N 3.31Å; K423-I425 VanDerWaalsContact C-N 3.28Å; K423-I425 PolarHBondContact O-N 2.73Å; K423-I426 PolarHBondContact O-N 3.29Å; K423-H427 WeakPolarHBondContact O-CA 3.49Å; K423-H427 VanDerWaalsContact O-CB 3.3Å; K423-H427 WeakPolarHBondContact O-CB 3.47Å; K423-H427 PolarHBondContact O-N 2.7Å; K423-R429 CarbonylContact C-O 3.21Å; K423-E431 HydrophobicContact CD-CB 3.8Å; K423-E431 IonicContact NZ-OE2 2.75Å; K423-E431 PolarHBondContact NZ-OE2 3.4Å
424	W	97.6	Very high	96.7	Very high	8 Å²	8	25.6 Å²	25.6	3%	0.03	13%	0.132	C	C	.	.	H	α-helix	trans	-59.8	-42.5	177.5	-148	-32.7	0	0	0	111.5	M391 F401 E420 L421 A422 G428 R429 P430 M434 D438	M391-W424 HydrophobicContact CB-CZ3 4.27Å; F401-W424 HydrophobicContact CE1-CB 4.22Å; F401-W424 AromaticContact CE1-CD1 3.74Å; F401-W424 HydrophobicContact CE1-CG 4.03Å; E420-W424 WeakPolarHBondContact O-CB 3.38Å; E420-W424 PolarHBondContact O-N 2.8Å; L421-W424 WeakPolarHBondContact O-CA 3.43Å; L421-W424 VanDerWaalsContact O-CB 3.28Å; L421-W424 WeakPolarHBondContact O-CB 3.17Å; L421-W424 PolarHBondContact O-N 3.21Å; A422-W424 VanDerWaalsContact C-N 3.33Å; A422-W424 PolarHBondContact O-N 2.82Å; W424-G428 CarbonylContact O-C 3.53Å; W424-G428 VanDerWaalsContact O-C 3.31Å; W424-G428 WeakPolarHBondContact O-CA 3.32Å; W424-G428 PolarHBondContact O-N 2.88Å; W424-R429 PolarHBondContact O-N 3.23Å; W424-P430 HydrophobicContact CD2-CG 4.27Å; W424-P430 HydrophobicContact CE3-CB 4.3Å; W424-P430 HydrophobicContact CE3-CG 4.12Å; W424-P430 HydrophobicContact CZ3-CG 4.28Å; W424-M434 HydrophobicContact CZ3-CB 4.04Å; W424-D438 HydrophobicContact CH2-CB 3.9Å; W424-D438 WeakPolarHBondContact CH2-OD2 3.25Å; W424-D438 VanDerWaalsContact CZ2-OD2 3.26Å; W424-D438 WeakPolarHBondContact CZ2-OD2 3.36Å
425	I	98.4	Very high	96.7	Very high	24 Å²	24	27.4 Å²	27.4	12%	0.123	14%	0.139	C	C	.	.	H	α-helix	trans	-67.3	-49.9	176.3	-64.2	156.8	0	0	0	110.8	V66 T78 L82 M87 V265 F401 L421 A422 K423	V66-I425 HydrophobicContact CG2-CG2 3.7Å; T78-I425 HydrophobicContact CG2-CD1 4.25Å; L82-I425 HydrophobicContact CD1-CD1 4.38Å; L82-I425 HydrophobicContact CD2-CB 4.21Å; L82-I425 HydrophobicContact CD2-CD1 4.25Å; L82-I425 HydrophobicContact CD2-CG2 4.16Å; M87-I425 HydrophobicContact SD-CG2 4.5Å; V265-I425 HydrophobicContact CG1-CD1 4.47Å; V265-I425 HydrophobicContact CG2-CD1 3.5Å; V265-I425 VanDerWaalsContact CG2-CD1 3.5Å; V265-I425 HydrophobicContact CG2-CG1 4.35Å; F401-I425 HydrophobicContact CD1-CG1 3.99Å; F401-I425 HydrophobicContact CD2-CG1 4.17Å; F401-I425 HydrophobicContact CE1-CG1 4.09Å; F401-I425 HydrophobicContact CE2-CG1 4.27Å; F401-I425 HydrophobicContact CG-CG1 4.04Å; F401-I425 HydrophobicContact CZ-CG1 4.23Å; L421-I425 HydrophobicContact CD1-CD1 4.45Å; L421-I425 HydrophobicContact CG-CD1 4.18Å; L421-I425 WeakPolarHBondContact O-CD1 3.3Å; L421-I425 WeakPolarHBondContact O-CG1 3.47Å; L421-I425 PolarHBondContact O-N 2.99Å; A422-I425 PolarHBondContact O-N 2.89Å; K423-I425 VanDerWaalsContact C-N 3.28Å; K423-I425 PolarHBondContact O-N 2.73Å
426	I	97.8	Very high	96.6	Very high	53 Å²	53	29 Å²	29	27%	0.272	16%	0.155	S	C	.	.	H	α-helix	trans	-74.2	-35	-173.7	-60.9	166.9	0	0	0	112.8	L82 M85 M87 A422 K423	L82-I426 HydrophobicContact CD2-CD1 3.85Å; L82-I426 HydrophobicContact CD2-CG1 3.87Å; M85-I426 HydrophobicContact CB-CD1 3.61Å; M85-I426 HydrophobicContact CG-CD1 4.4Å; M85-I426 HydrophobicContact SD-CD1 3.99Å; M87-I426 HydrophobicContact CB-CD1 4.25Å; M87-I426 HydrophobicContact CB-CG1 4.5Å; M87-I426 HydrophobicContact CE-CG1 4Å; M87-I426 HydrophobicContact SD-CG1 4.06Å; A422-I426 VanDerWaalsContact O-CG1 3.26Å; A422-I426 WeakPolarHBondContact O-CG1 3.39Å; A422-I426 PolarHBondContact O-N 3.25Å; K423-I426 PolarHBondContact O-N 3.29Å
427	H	94.8	Very high	96.5	Very high	122 Å²	122	29.3 Å²	29.3	57%	0.565	16%	0.156	S	C	*	.	H	α-helix	trans	-113.5	0.5	-172.6	-52.5	-42.3	0	0	0	113.8	K423 R429	K423-H427 WeakPolarHBondContact O-CA 3.49Å; K423-H427 VanDerWaalsContact O-CB 3.3Å; K423-H427 WeakPolarHBondContact O-CB 3.47Å; K423-H427 PolarHBondContact O-N 2.7Å; H427-R429 PolarHBondContact O-N 3.44Å
428	G	92.7	Very high	96.5	Very high	54 Å²	54	29.5 Å²	29.5	56%	0.557	16%	0.157	S	C	*	.	S	Bend	trans	70.3	7	-172.7	0	0	0	0	0	114.4	W424	W424-G428 CarbonylContact O-C 3.53Å; W424-G428 VanDerWaalsContact O-C 3.31Å; W424-G428 WeakPolarHBondContact O-CA 3.32Å; W424-G428 PolarHBondContact O-N 2.88Å
429	R	93.7	Very high	96.4	Very high	41 Å²	41	29.7 Å²	29.7	16%	0.155	16%	0.158	C	C	.	.	S	Bend	trans	-165.1	154.7	-179.9	68.5	-173.7	-52.5	95.1	6.3	114.1	K423 W424 H427 N609 E615	K423-R429 CarbonylContact C-O 3.21Å; W424-R429 PolarHBondContact O-N 3.23Å; H427-R429 PolarHBondContact O-N 3.44Å; R429-N609 VanDerWaalsContact CZ-CG 3.43Å; R429-N609 PolarHBondContact NH2-ND2 3.02Å; R429-E615 IonicContact CZ-OE1 2.68Å; R429-E615 IonicContact NH1-OE1 2.71Å; R429-E615 PolarHBondContact NH1-OE1 3.32Å; R429-E615 IonicContact NH2-OE1 2.68Å; R429-E615 PolarHBondContact NH2-OE1 3.47Å
430	P	95.7	Very high	96.2	Very high	15 Å²	15	28 Å²	28	10%	0.097	15%	0.152	C	C	.	.			trans	-73.1	168.7	172.3	32.2	-34.9	0	0	0	111.9	E420 W424 M434	E420-P430 HydrophobicContact CB-CB 4.16Å; W424-P430 HydrophobicContact CD2-CG 4.27Å; W424-P430 HydrophobicContact CE3-CB 4.3Å; W424-P430 HydrophobicContact CE3-CG 4.12Å; W424-P430 HydrophobicContact CZ3-CG 4.28Å; P430-M434 HydrophobicContact CB-CB 4.24Å; P430-M434 HydrophobicContact CB-CG 3.57Å; P430-M434 HydrophobicContact CG-CB 3.91Å; P430-M434 HydrophobicContact CG-CG 3.79Å
431	E	94.4	Very high	96	Very high	66 Å²	66	28.3 Å²	28.3	31%	0.308	15%	0.153	S	C	.	.	S	Bend	trans	-84.1	-38	173.2	-167.3	-164.7	151.1	0	0	111.9	R419 E420 K423 R611	R419-E431 IonicContact CZ-OE2 3.48Å; R419-E431 IonicContact NH1-OE2 2.89Å; R419-E431 IonicContact NH2-OE2 3.21Å; R419-E431 PolarHBondContact NH2-OE2 3.22Å; E420-E431 VanDerWaalsContact OE2-CB 3.3Å; E420-E431 WeakPolarHBondContact OE2-CB 3.46Å; E420-E431 PolarHBondContact OE2-N 2.82Å; K423-E431 HydrophobicContact CD-CB 3.8Å; K423-E431 IonicContact NZ-OE2 2.75Å; K423-E431 PolarHBondContact NZ-OE2 3.4Å; E431-R611 PolarHBondContact O-NH1 2.98Å
432	K	94.9	Very high	95.9	Very high	46 Å²	46	29.2 Å²	29.2	20%	0.2	16%	0.157	C	C	.	.	S	Bend	trans	-89.6	166.5	-179.7	-56.5	-61.2	176.8	-178.3	0	111.9	V118 E121 E420 M434	V118-K432 HydrophobicContact CG1-CB 4.46Å; E121-K432 VanDerWaalsContact OE1-CE 3.32Å; E121-K432 WeakPolarHBondContact OE1-CE 3.45Å; E121-K432 IonicContact OE1-NZ 3.3Å; E121-K432 PolarHBondContact OE1-NZ 3.02Å; E420-K432 HydrophobicContact CG-CG 4.3Å; E420-K432 PolarHBondContact OE2-N 3.25Å; K432-M434 HydrophobicContact CB-CG 4.49Å; K432-M434 HydrophobicContact CB-SD 4.26Å; K432-M434 PolarHBondContact O-N 3.06Å
433	D	94.8	Very high	95.7	Very high	24 Å²	24	30.2 Å²	30.2	13%	0.128	16%	0.161	C	C	.	.			trans	-70.7	91.6	166.8	179.1	21.7	0	0	0	110.9	V118 Y435 R782 P783	V118-D433 WeakPolarHBondContact CG1-O 3.47Å; V118-D433 HydrophobicContact CG2-CB 4.27Å; V118-D433 WeakPolarHBondContact CG2-O 3.34Å; D433-Y435 VanDerWaalsContact C-N 3.35Å; D433-Y435 WeakPolarHBondContact OD1-CB 3.46Å; D433-Y435 PolarHBondContact OD1-N 2.8Å; D433-R782 HydrophobicContact CB-CB 4.1Å; D433-R782 HydrophobicContact CB-CG 4.45Å; D433-R782 WeakPolarHBondContact OD2-CD 3.31Å; D433-R782 WeakPolarHBondContact OD2-CG 3.34Å; D433-P783 WeakPolarHBondContact OD1-CD 3.32Å
434	M	96	Very high	95.4	Very high	3 Å²	3	32.7 Å²	32.7	2%	0.015	18%	0.18	C	C	.	.			trans	-94.5	17.7	174.9	-56.7	-62.8	-67.8	0	0	112.3	V118 L122 M391 E420 W424 P430 K432 G436 Y437 D438	V118-M434 HydrophobicContact CG1-SD 4.07Å; L122-M434 HydrophobicContact CD1-CE 4Å; L122-M434 HydrophobicContact CD1-SD 4.14Å; L122-M434 HydrophobicContact CD2-CE 4.3Å; L122-M434 HydrophobicContact CD2-SD 4.09Å; M391-M434 HydrophobicContact CE-CE 4.29Å; M391-M434 HydrophobicContact SD-CE 3.91Å; E420-M434 HydrophobicContact CB-CE 4.32Å; E420-M434 HydrophobicContact CB-CG 4.15Å; E420-M434 HydrophobicContact CB-SD 4.16Å; E420-M434 HydrophobicContact CG-CG 4.4Å; E420-M434 HydrophobicContact CG-SD 4.01Å; W424-M434 HydrophobicContact CZ3-CB 4.04Å; P430-M434 HydrophobicContact CB-CB 4.24Å; P430-M434 HydrophobicContact CB-CG 3.57Å; P430-M434 HydrophobicContact CG-CB 3.91Å; P430-M434 HydrophobicContact CG-CG 3.79Å; K432-M434 HydrophobicContact CB-CG 4.49Å; K432-M434 HydrophobicContact CB-SD 4.26Å; K432-M434 PolarHBondContact O-N 3.06Å; M434-G436 VanDerWaalsContact C-N 3.28Å; M434-G436 PolarHBondContact O-N 2.69Å; M434-Y437 HydrophobicContact CE-CD1 3.82Å; M434-Y437 HydrophobicContact CE-CD2 4.27Å; M434-Y437 HydrophobicContact CE-CE1 4.41Å; M434-Y437 HydrophobicContact CE-CG 3.75Å; M434-Y437 CarbonylContact O-C 3.38Å; M434-Y437 WeakPolarHBondContact O-CA 3.27Å; M434-Y437 WeakPolarHBondContact O-CB 3.44Å; M434-Y437 PolarHBondContact O-N 2.82Å; M434-D438 PolarHBondContact O-N 2.86Å
435	Y	94.9	Very high	95.2	Very high	39 Å²	39	35.1 Å²	35.1	15%	0.153	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-55.7	-41.9	-178.1	166.2	-106.8	0	0	0	112.3	D433 Y437 D438 R441 G648 H652 W777	D433-Y435 VanDerWaalsContact C-N 3.35Å; D433-Y435 WeakPolarHBondContact OD1-CB 3.46Å; D433-Y435 PolarHBondContact OD1-N 2.8Å; Y435-Y437 PolarHBondContact O-N 3.16Å; Y435-D438 WeakPolarHBondContact O-CB 3.22Å; Y435-D438 PolarHBondContact O-N 2.86Å; Y435-D438 VanDerWaalsContact O-N 3.16Å; Y435-R441 HydrophobicContact CD2-CB 4.49Å; Y435-R441 HydrophobicContact CE2-CB 3.9Å; Y435-G648 PolarHBondContact OH-O 3.37Å; Y435-H652 HydrophobicContact CD2-CB 4.39Å; Y435-H652 HydrophobicContact CE2-CB 4.05Å; Y435-W777 AromaticContact CD1-CZ3 3.94Å; Y435-W777 HydrophobicContact CD1-CZ3 3.94Å; Y435-W777 AromaticContact CD2-CH2 3.97Å; Y435-W777 HydrophobicContact CD2-CH2 3.97Å; Y435-W777 AromaticContact CD2-CZ3 3.86Å; Y435-W777 HydrophobicContact CD2-CZ3 3.86Å; Y435-W777 HydrophobicContact CE1-CZ3 4.27Å; Y435-W777 HydrophobicContact CE2-CZ3 4.19Å; Y435-W777 AromaticContact CG-CH2 4Å; Y435-W777 HydrophobicContact CG-CH2 4Å; Y435-W777 AromaticContact CG-CZ3 3.75Å; Y435-W777 HydrophobicContact CG-CZ3 3.75Å
436	G	94.7	Very high	95.1	Very high	32 Å²	32	34 Å²	34	33%	0.33	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-66.9	-4.1	175	0	0	0	0	0	115.7	K388 M434 R441	K388-G436 VanDerWaalsContact CB-O 3.25Å; K388-G436 WeakPolarHBondContact CB-O 3.17Å; M434-G436 VanDerWaalsContact C-N 3.28Å; M434-G436 PolarHBondContact O-N 2.69Å; G436-R441 WeakPolarHBondContact O-CD 3.48Å; G436-R441 PolarHBondContact O-NE 3.47Å
437	Y	97.3	Very high	95	Very high	8 Å²	8	32 Å²	32	3%	0.031	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-116.3	-16.3	177.1	-73.8	-117.8	0	0	0	111.6	E119 L122 K388 P389 M391 L413 M434 Y435 R441	E119-Y437 HydrophobicContact CG-CE2 4.44Å; E119-Y437 VanDerWaalsContact CG-OH 3.3Å; E119-Y437 WeakPolarHBondContact CG-OH 3.36Å; E119-Y437 PolarHBondContact OE1-OH 3.11Å; L122-Y437 HydrophobicContact CD1-CE1 4.33Å; K388-Y437 HydrophobicContact CD-CE2 4.31Å; P389-Y437 HydrophobicContact CB-CD1 3.93Å; P389-Y437 HydrophobicContact CB-CE1 4.26Å; P389-Y437 VanDerWaalsContact CD-CE1 3.46Å; P389-Y437 HydrophobicContact CG-CD1 3.81Å; P389-Y437 HydrophobicContact CG-CE1 3.61Å; P389-Y437 VanDerWaalsContact O-O 3.1Å; M391-Y437 WeakPolarHBondContact CB-O 3.27Å; M391-Y437 PolarHBondContact N-O 2.79Å; M391-Y437 HydrophobicContact SD-CD1 3.68Å; M391-Y437 HydrophobicContact SD-CG 4.39Å; L413-Y437 HydrophobicContact CD1-CE1 4.29Å; M434-Y437 HydrophobicContact CE-CD1 3.82Å; M434-Y437 HydrophobicContact CE-CD2 4.27Å; M434-Y437 HydrophobicContact CE-CE1 4.41Å; M434-Y437 HydrophobicContact CE-CG 3.75Å; M434-Y437 CarbonylContact O-C 3.38Å; M434-Y437 WeakPolarHBondContact O-CA 3.27Å; M434-Y437 WeakPolarHBondContact O-CB 3.44Å; M434-Y437 PolarHBondContact O-N 2.82Å; Y435-Y437 PolarHBondContact O-N 3.16Å; Y437-R441 PolarHBondContact O-NH1 3.29Å
438	D	97.1	Very high	94.9	Very high	4 Å²	4	31.9 Å²	31.9	2%	0.021	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-62.8	135.8	178.6	-161	-44.4	0	0	0	110.2	M391 W424 M434 Y435 R440 R441	M391-D438 CarbonylContact O-C 3.32Å; M391-D438 WeakPolarHBondContact O-CA 3.4Å; W424-D438 HydrophobicContact CH2-CB 3.9Å; W424-D438 WeakPolarHBondContact CH2-OD2 3.25Å; W424-D438 VanDerWaalsContact CZ2-OD2 3.26Å; W424-D438 WeakPolarHBondContact CZ2-OD2 3.36Å; M434-D438 PolarHBondContact O-N 2.86Å; Y435-D438 WeakPolarHBondContact O-CB 3.22Å; Y435-D438 PolarHBondContact O-N 2.86Å; Y435-D438 VanDerWaalsContact O-N 3.16Å; D438-R440 PolarHBondContact O-N 3.06Å; D438-R440 VanDerWaalsContact OD1-CB 3.23Å; D438-R440 WeakPolarHBondContact OD1-CB 3.41Å; D438-R440 VanDerWaalsContact OD1-CG 3.3Å; D438-R440 WeakPolarHBondContact OD1-CG 3.18Å; D438-R440 IonicContact OD1-CZ 3.78Å; D438-R440 PolarHBondContact OD1-N 2.84Å; D438-R440 IonicContact OD1-NE 3.09Å; D438-R440 PolarHBondContact OD1-NE 3.2Å; D438-R440 IonicContact OD1-NH2 3.91Å; D438-R440 IonicContact OD2-CZ 2.89Å; D438-R440 IonicContact OD2-NE 3.88Å; D438-R440 PolarHBondContact OD2-NE 2.9Å; D438-R440 IonicContact OD2-NH2 3Å; D438-R440 PolarHBondContact OD2-NH2 2.7Å; D438-R441 WeakPolarHBondContact O-CB 3.3Å; D438-R441 VanDerWaalsContact O-CD 3.24Å; D438-R441 WeakPolarHBondContact O-CD 3.15Å; D438-R441 WeakPolarHBondContact O-CG 3.42Å; D438-R441 PolarHBondContact O-N 3.01Å; D438-R441 PolarHBondContact O-NH1 2.75Å
439	I	96.2	Very high	95.1	Very high	4 Å²	4	31.7 Å²	31.7	2%	0.021	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-59.8	-30.5	172.2	-178.3	59.9	0	0	0	112	P284 L390 M391 L402 R441 F442	P284-I439 HydrophobicContact CG-CD1 3.95Å; L390-I439 HydrophobicContact CD2-CD1 4.13Å; M391-I439 PolarHBondContact O-N 2.87Å; L402-I439 HydrophobicContact CD1-CB 3.97Å; L402-I439 HydrophobicContact CD1-CD1 3.86Å; L402-I439 HydrophobicContact CD1-CG1 3.76Å; L402-I439 HydrophobicContact CD1-CG2 4.47Å; I439-R441 PolarHBondContact O-N 3.07Å; I439-R441 VanDerWaalsContact O-N 3.16Å; I439-F442 PolarHBondContact O-N 3.02Å
440	R	94.9	Very high	95.2	Very high	30 Å²	30	33.4 Å²	33.4	11%	0.113	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-76.2	3	-179.1	-54	169.3	-63.2	171.9	9.7	113.6	P395 D438 F442 H652 N655	P395-R440 HydrophobicContact CB-CG 4.49Å; P395-R440 HydrophobicContact CG-CG 4.5Å; D438-R440 PolarHBondContact O-N 3.06Å; D438-R440 VanDerWaalsContact OD1-CB 3.23Å; D438-R440 WeakPolarHBondContact OD1-CB 3.41Å; D438-R440 VanDerWaalsContact OD1-CG 3.3Å; D438-R440 WeakPolarHBondContact OD1-CG 3.18Å; D438-R440 IonicContact OD1-CZ 3.78Å; D438-R440 PolarHBondContact OD1-N 2.84Å; D438-R440 IonicContact OD1-NE 3.09Å; D438-R440 PolarHBondContact OD1-NE 3.2Å; D438-R440 IonicContact OD1-NH2 3.91Å; D438-R440 IonicContact OD2-CZ 2.89Å; D438-R440 IonicContact OD2-NE 3.88Å; D438-R440 PolarHBondContact OD2-NE 2.9Å; D438-R440 IonicContact OD2-NH2 3Å; D438-R440 PolarHBondContact OD2-NH2 2.7Å; R440-F442 VanDerWaalsContact C-N 3.26Å; R440-H652 PolarHBondContact O-N 2.97Å; R440-N655 HydrophobicContact CG-CB 4.39Å
441	R	95.2	Very high	95.3	Very high	10 Å²	10	38 Å²	38	4%	0.038	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-73.6	-17.3	165.6	84.7	-167.6	-178.6	-103.2	11.1	112.7	D386 K388 P389 Y435 G436 Y437 D438 I439 H500	D386-R441 IonicContact OD1-CZ 2.91Å; D386-R441 IonicContact OD1-NE 3.88Å; D386-R441 IonicContact OD1-NH2 2.9Å; D386-R441 PolarHBondContact OD1-NH2 2.91Å; D386-R441 IonicContact OD2-CZ 3.19Å; D386-R441 IonicContact OD2-NE 3.35Å; D386-R441 PolarHBondContact OD2-NE 3.41Å; D386-R441 IonicContact OD2-NH2 3.81Å; D386-R441 PolarHBondContact OD2-NH2 3.22Å; K388-R441 PolarHBondContact O-NH2 2.82Å; P389-R441 PolarHBondContact O-NH1 3.16Å; P389-R441 PolarHBondContact O-NH2 3.31Å; Y435-R441 HydrophobicContact CD2-CB 4.49Å; Y435-R441 HydrophobicContact CE2-CB 3.9Å; G436-R441 WeakPolarHBondContact O-CD 3.48Å; G436-R441 PolarHBondContact O-NE 3.47Å; Y437-R441 PolarHBondContact O-NH1 3.29Å; D438-R441 WeakPolarHBondContact O-CB 3.3Å; D438-R441 VanDerWaalsContact O-CD 3.24Å; D438-R441 WeakPolarHBondContact O-CD 3.15Å; D438-R441 WeakPolarHBondContact O-CG 3.42Å; D438-R441 PolarHBondContact O-N 3.01Å; D438-R441 PolarHBondContact O-NH1 2.75Å; I439-R441 PolarHBondContact O-N 3.07Å; I439-R441 VanDerWaalsContact O-N 3.16Å; R441-H500 PolarHBondContact O-CD2 3.36Å; R441-H500 PolarHBondContact O-NE2 2.7Å
442	F	95.6	Very high	95.4	Very high	18 Å²	18	35.2 Å²	35.2	8%	0.079	20%	0.197	C	C	.	.	S	Bend	trans	-101.8	129.2	174.4	-61.3	-48.1	0	0	0	110.4	P284 A385 D386 L390 I439 R440 S444 T447 W452	P284-F442 HydrophobicContact CG-CD2 3.96Å; P284-F442 HydrophobicContact CG-CE2 4.33Å; A385-F442 HydrophobicContact CB-CZ 4.27Å; D386-F442 HydrophobicContact CB-CE1 4.33Å; D386-F442 HydrophobicContact CB-CZ 4.25Å; D386-F442 VanDerWaalsContact CG-CZ 3.48Å; D386-F442 WeakPolarHBondContact OD2-CZ 3.33Å; L390-F442 HydrophobicContact CD2-CD2 4.3Å; L390-F442 HydrophobicContact CD2-CE2 3.75Å; I439-F442 PolarHBondContact O-N 3.02Å; R440-F442 VanDerWaalsContact C-N 3.26Å; F442-S444 PolarHBondContact O-N 3.07Å; F442-T447 HydrophobicContact CB-CG2 3.7Å; F442-W452 HydrophobicContact CB-CH2 4.42Å; F442-W452 AromaticContact CD1-CH2 3.5Å; F442-W452 HydrophobicContact CD1-CH2 3.5Å; F442-W452 AromaticContact CD1-CZ2 3.95Å; F442-W452 HydrophobicContact CD1-CZ2 3.95Å; F442-W452 HydrophobicContact CD2-CH2 4.28Å; F442-W452 AromaticContact CE1-CH2 3.67Å; F442-W452 HydrophobicContact CE1-CH2 3.67Å; F442-W452 HydrophobicContact CE1-CZ2 4.08Å; F442-W452 HydrophobicContact CE2-CH2 4.4Å; F442-W452 AromaticContact CG-CH2 3.82Å; F442-W452 HydrophobicContact CG-CH2 3.82Å; F442-W452 HydrophobicContact CZ-CH2 4.1Å
443	H	94.8	Very high	95.5	Very high	21 Å²	21	34 Å²	34	10%	0.097	19%	0.193	C	C	.	.			trans	-60	136.4	173.4	-172.1	-102.1	0	0	0	110.9	S445 L446 R481 H500 E651	H443-S445 PolarHBondContact CE1-OG 2.91Å; H443-S445 WeakPolarHBondContact ND1-CB 3.31Å; H443-S445 PolarHBondContact ND1-N 2.84Å; H443-S445 PolarHBondContact ND1-OG 2.92Å; H443-S445 PolarHBondContact O-N 3.27Å; H443-L446 HydrophobicContact CB-CD1 4.27Å; H443-L446 HydrophobicContact CB-CG 4.42Å; H443-L446 WeakPolarHBondContact O-CB 3.3Å; H443-L446 PolarHBondContact O-N 3.27Å; H443-R481 PolarHBondContact CD2-NH1 3.41Å; H443-R481 PolarHBondContact CE1-NH1 3.19Å; H443-R481 VanDerWaalsContact CE1-NH1 3.26Å; H443-R481 PolarHBondContact CE1-NH2 3.06Å; H443-R481 PolarHBondContact ND1-NH1 3.33Å; H443-R481 PolarHBondContact NE2-NH1 2.94Å; H443-R481 VanDerWaalsContact NE2-NH1 3.16Å; H443-R481 PolarHBondContact NE2-NH2 2.91Å; H443-R481 VanDerWaalsContact NE2-NH2 3.1Å; H443-H500 HydrophobicContact CB-CB 4.28Å; H443-E651 WeakPolarHBondContact CA-OE2 3.37Å; H443-E651 IonicContact CD2-OE2 2.72Å; H443-E651 PolarHBondContact CD2-OE2 2.98Å; H443-E651 VanDerWaalsContact CD2-OE2 3.3Å; H443-E651 IonicContact CG-OE2 2.79Å; H443-E651 IonicContact NE2-OE2 2.76Å
444	S	92.9	Very high	95.7	Very high	64 Å²	64	35.9 Å²	35.9	45%	0.448	20%	0.198	S	C	.	.	H	α-helix	trans	-53	-30.6	-176.5	47.5	0	0	0	0	114.5	F442 L446 T447 E651	F442-S444 PolarHBondContact O-N 3.07Å; S444-L446 PolarHBondContact O-N 2.93Å; S444-T447 PolarHBondContact O-OG1 3.45Å; S444-E651 PolarHBondContact N-OE2 2.94Å; S444-E651 PolarHBondContact OG-OE2 3.38Å; S444-E651 VanDerWaalsContact OG-OE2 3.08Å
445	S	93.5	Very high	95.8	Very high	59 Å²	59	36.5 Å²	36.5	41%	0.413	20%	0.201	S	C	.	.	H	α-helix	trans	-72.2	-6.2	175.1	78	0	0	0	0	115.1	H443	H443-S445 PolarHBondContact CE1-OG 2.91Å; H443-S445 WeakPolarHBondContact ND1-CB 3.31Å; H443-S445 PolarHBondContact ND1-N 2.84Å; H443-S445 PolarHBondContact ND1-OG 2.92Å; H443-S445 PolarHBondContact O-N 3.27Å
446	L	95.8	Very high	95.9	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.01	20%	0.2	C	C	.	.	H	α-helix	trans	-106.2	-28.1	179.4	-58.9	176.8	0	0	0	112.3	H443 S444 D448 N449 W452 M480	H443-L446 HydrophobicContact CB-CD1 4.27Å; H443-L446 HydrophobicContact CB-CG 4.42Å; H443-L446 WeakPolarHBondContact O-CB 3.3Å; H443-L446 PolarHBondContact O-N 3.27Å; S444-L446 PolarHBondContact O-N 2.93Å; L446-D448 PolarHBondContact O-N 3.04Å; L446-N449 WeakPolarHBondContact O-CB 3.25Å; L446-N449 PolarHBondContact O-N 2.91Å; L446-W452 HydrophobicContact CB-CD2 3.9Å; L446-W452 HydrophobicContact CB-CE3 3.88Å; L446-W452 HydrophobicContact CB-CG 4.46Å; L446-W452 HydrophobicContact CB-CH2 4.31Å; L446-W452 HydrophobicContact CB-CZ2 4.31Å; L446-W452 HydrophobicContact CB-CZ3 4.09Å; L446-W452 HydrophobicContact CD1-CZ2 4.06Å; L446-W452 HydrophobicContact CD2-CD2 4.34Å; L446-W452 HydrophobicContact CD2-CG 4.1Å; L446-W452 HydrophobicContact CG-CD2 4.48Å; L446-W452 VanDerWaalsContact O-CE3 3.26Å; L446-M480 HydrophobicContact CD2-CB 4.11Å; L446-M480 HydrophobicContact CD2-CE 4.34Å; L446-M480 HydrophobicContact CD2-CG 4.36Å
447	T	95.1	Very high	96.1	Very high	9 Å²	9	34.7 Å²	34.7	6%	0.055	18%	0.184	C	C	.	.	H	α-helix	trans	-69.6	-16.8	-172.3	58.1	0	0	0	0	114.3	P284 F442 S444	P284-T447 HydrophobicContact CG-CG2 4.11Å; F442-T447 HydrophobicContact CB-CG2 3.7Å; S444-T447 PolarHBondContact O-OG1 3.45Å
448	D	93.3	Very high	96.1	Very high	120 Å²	120	34.3 Å²	34.3	64%	0.642	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.9	3.4	172.2	-169.4	33	0	0	0	112.5	L446 A450	L446-D448 PolarHBondContact O-N 3.04Å; D448-A450 PolarHBondContact O-N 3.06Å; D448-A450 VanDerWaalsContact O-N 3.13Å
449	N	97	Very high	96.1	Very high	50 Å²	50	34.2 Å²	34.2	27%	0.267	18%	0.182	S	C	.	.			trans	-87.9	90.5	-173.9	-166.1	-69	0	0	0	111.3	L446 R451 W452 I453 M480	L446-N449 WeakPolarHBondContact O-CB 3.25Å; L446-N449 PolarHBondContact O-N 2.91Å; N449-R451 PolarHBondContact O-N 3.27Å; N449-R451 PolarHBondContact OD1-N 2.95Å; N449-W452 HydrophobicContact CB-CB 3.99Å; N449-W452 WeakPolarHBondContact O-CA 3.38Å; N449-W452 PolarHBondContact O-N 2.94Å; N449-W452 PolarHBondContact OD1-N 3.32Å; N449-I453 WeakPolarHBondContact O-CG1 3.44Å; N449-I453 PolarHBondContact O-N 2.93Å; N449-M480 HydrophobicContact CB-CE 4.49Å; N449-M480 WeakPolarHBondContact ND2-CE 3.27Å; N449-M480 WeakPolarHBondContact OD1-CE 3.49Å
450	A	95.5	Very high	96.2	Very high	77 Å²	77	34.5 Å²	34.5	64%	0.636	19%	0.185	S	C	*	.	H	α-helix	trans	-49.4	-36.7	-177.7	0	0	0	0	0	114.6	D448 R454	D448-A450 PolarHBondContact O-N 3.06Å; D448-A450 VanDerWaalsContact O-N 3.13Å; A450-R454 VanDerWaalsContact O-CB 3.28Å; A450-R454 WeakPolarHBondContact O-CB 3.43Å; A450-R454 PolarHBondContact O-N 3.36Å
451	R	96.7	Very high	96.2	Very high	112 Å²	112	33.1 Å²	33.1	42%	0.423	18%	0.179	S	C	.	.	H	α-helix	trans	-64.2	-49.8	174.9	177.4	-176.1	169.3	-120	-25.5	111.2	N449 R454 E455	N449-R451 PolarHBondContact O-N 3.27Å; N449-R451 PolarHBondContact OD1-N 2.95Å; R451-R454 PolarHBondContact O-N 3.15Å; R451-E455 HydrophobicContact CG-CG 4.29Å; R451-E455 WeakPolarHBondContact CG-OE1 3.38Å; R451-E455 IonicContact CZ-OE1 2.7Å; R451-E455 IonicContact CZ-OE2 2.82Å; R451-E455 IonicContact NE-OE1 3.61Å; R451-E455 PolarHBondContact NE-OE1 3.42Å; R451-E455 IonicContact NE-OE2 3.03Å; R451-E455 IonicContact NH2-OE1 3.54Å; R451-E455 PolarHBondContact NH2-OE1 2.87Å; R451-E455 VanDerWaalsContact NH2-OE1 3.11Å; R451-E455 IonicContact NH2-OE2 2.82Å; R451-E455 PolarHBondContact NH2-OE2 2.94Å; R451-E455 WeakPolarHBondContact O-CB 3.27Å; R451-E455 WeakPolarHBondContact O-CG 3.48Å; R451-E455 PolarHBondContact O-N 3.21Å
452	W	97.8	Very high	96.3	Very high	7 Å²	7	33.2 Å²	33.2	3%	0.027	18%	0.183	C	C	.	.	H	α-helix	trans	-63.4	-46.5	-180	177.3	89.2	0	0	0	111.7	P284 A385 F442 L446 N449 R454 R456 S477 M480	P284-W452 HydrophobicContact CB-CZ3 4.22Å; A385-W452 HydrophobicContact CB-CE3 4.24Å; A385-W452 HydrophobicContact CB-CH2 3.28Å; A385-W452 HydrophobicContact CB-CZ2 3.65Å; A385-W452 HydrophobicContact CB-CZ3 3.62Å; F442-W452 HydrophobicContact CB-CH2 4.42Å; F442-W452 AromaticContact CD1-CH2 3.5Å; F442-W452 HydrophobicContact CD1-CH2 3.5Å; F442-W452 AromaticContact CD1-CZ2 3.95Å; F442-W452 HydrophobicContact CD1-CZ2 3.95Å; F442-W452 HydrophobicContact CD2-CH2 4.28Å; F442-W452 AromaticContact CE1-CH2 3.67Å; F442-W452 HydrophobicContact CE1-CH2 3.67Å; F442-W452 HydrophobicContact CE1-CZ2 4.08Å; F442-W452 HydrophobicContact CE2-CH2 4.4Å; F442-W452 AromaticContact CG-CH2 3.82Å; F442-W452 HydrophobicContact CG-CH2 3.82Å; F442-W452 HydrophobicContact CZ-CH2 4.1Å; L446-W452 HydrophobicContact CB-CD2 3.9Å; L446-W452 HydrophobicContact CB-CE3 3.88Å; L446-W452 HydrophobicContact CB-CG 4.46Å; L446-W452 HydrophobicContact CB-CH2 4.31Å; L446-W452 HydrophobicContact CB-CZ2 4.31Å; L446-W452 HydrophobicContact CB-CZ3 4.09Å; L446-W452 HydrophobicContact CD1-CZ2 4.06Å; L446-W452 HydrophobicContact CD2-CD2 4.34Å; L446-W452 HydrophobicContact CD2-CG 4.1Å; L446-W452 HydrophobicContact CG-CD2 4.48Å; L446-W452 VanDerWaalsContact O-CE3 3.26Å; N449-W452 HydrophobicContact CB-CB 3.99Å; N449-W452 WeakPolarHBondContact O-CA 3.38Å; N449-W452 PolarHBondContact O-N 2.94Å; N449-W452 PolarHBondContact OD1-N 3.32Å; W452-R454 PolarHBondContact O-N 3.28Å; W452-R456 HydrophobicContact CD2-CG 4.35Å; W452-R456 HydrophobicContact CG-CG 4.2Å; W452-R456 WeakPolarHBondContact O-CB 3.39Å; W452-R456 VanDerWaalsContact O-CG 3.32Å; W452-R456 WeakPolarHBondContact O-CG 3.39Å; W452-R456 PolarHBondContact O-N 3.14Å; W452-S477 WeakPolarHBondContact CA-OG 3.26Å; W452-M480 HydrophobicContact CB-CE 4.05Å; W452-M480 HydrophobicContact CB-SD 4.48Å
453	I	97.5	Very high	96.2	Very high	21 Å²	21	34.4 Å²	34.4	11%	0.108	19%	0.188	C	C	.	.	H	α-helix	trans	-56.5	-52.1	176.9	-60	165.4	0	0	0	109.8	P284 I286 N449 S457	P284-I453 HydrophobicContact CB-CD1 4.05Å; P284-I453 HydrophobicContact CB-CG1 3.92Å; I286-I453 HydrophobicContact CB-CG2 4.47Å; N449-I453 WeakPolarHBondContact O-CG1 3.44Å; N449-I453 PolarHBondContact O-N 2.93Å; I453-S457 WeakPolarHBondContact O-CB 3.25Å; I453-S457 PolarHBondContact O-N 2.86Å; I453-S457 PolarHBondContact O-OG 3.01Å
454	R	97.7	Very high	96.2	Very high	64 Å²	64	35.1 Å²	35.1	24%	0.242	19%	0.192	C	C	.	.	H	α-helix	trans	-64.7	-51.8	-177.3	-171.8	-177	-173.6	100.6	-6.4	113.2	I286 F334 E336 A450 R451 W452 H458	I286-R454 HydrophobicContact CD1-CB 4.13Å; I286-R454 HydrophobicContact CD1-CG 3.92Å; F334-R454 HydrophobicContact CD1-CG 4.43Å; F334-R454 HydrophobicContact CE1-CG 3.67Å; F334-R454 HydrophobicContact CZ-CG 3.8Å; E336-R454 VanDerWaalsContact CD-NH1 3.28Å; E336-R454 IonicContact OE1-CZ 2.8Å; E336-R454 VanDerWaalsContact OE1-CZ 3.28Å; E336-R454 IonicContact OE1-NH1 3.67Å; E336-R454 PolarHBondContact OE1-NH1 3.42Å; E336-R454 IonicContact OE1-NH2 3.31Å; E336-R454 PolarHBondContact OE1-NH2 3.13Å; E336-R454 IonicContact OE2-CZ 2.9Å; E336-R454 IonicContact OE2-NH1 2.77Å; E336-R454 PolarHBondContact OE2-NH1 3.45Å; E336-R454 IonicContact OE2-NH2 2.9Å; A450-R454 VanDerWaalsContact O-CB 3.28Å; A450-R454 WeakPolarHBondContact O-CB 3.43Å; A450-R454 PolarHBondContact O-N 3.36Å; R451-R454 PolarHBondContact O-N 3.15Å; W452-R454 PolarHBondContact O-N 3.28Å; R454-H458 VanDerWaalsContact O-CB 3.3Å; R454-H458 WeakPolarHBondContact O-CB 3.47Å; R454-H458 PolarHBondContact O-N 2.68Å
455	E	98.1	Very high	96.2	Very high	16 Å²	16	32.7 Å²	32.7	8%	0.075	17%	0.173	C	C	.	.	H	α-helix	trans	-64.6	-44	-177.2	-75.6	-178.9	-174.4	0	0	111.5	R451 H458 E459 A476 S477 Y519 Y521	R451-E455 HydrophobicContact CG-CG 4.29Å; R451-E455 WeakPolarHBondContact CG-OE1 3.38Å; R451-E455 IonicContact CZ-OE1 2.7Å; R451-E455 IonicContact CZ-OE2 2.82Å; R451-E455 IonicContact NE-OE1 3.61Å; R451-E455 PolarHBondContact NE-OE1 3.42Å; R451-E455 IonicContact NE-OE2 3.03Å; R451-E455 IonicContact NH2-OE1 3.54Å; R451-E455 PolarHBondContact NH2-OE1 2.87Å; R451-E455 VanDerWaalsContact NH2-OE1 3.11Å; R451-E455 IonicContact NH2-OE2 2.82Å; R451-E455 PolarHBondContact NH2-OE2 2.94Å; R451-E455 WeakPolarHBondContact O-CB 3.27Å; R451-E455 WeakPolarHBondContact O-CG 3.48Å; R451-E455 PolarHBondContact O-N 3.21Å; E455-H458 PolarHBondContact O-N 3.42Å; E455-E459 PolarHBondContact O-N 2.84Å; E455-A476 HydrophobicContact CB-CB 4Å; E455-A476 WeakPolarHBondContact O-CB 3.2Å; E455-S477 WeakPolarHBondContact CB-OG 3.5Å; E455-S477 WeakPolarHBondContact OE2-CA 3.46Å; E455-S477 WeakPolarHBondContact OE2-CB 3.23Å; E455-S477 PolarHBondContact OE2-N 3.27Å; E455-S477 PolarHBondContact OE2-OG 3.04Å; E455-Y519 HydrophobicContact CB-CD1 3.99Å; E455-Y519 HydrophobicContact CB-CE1 4.46Å; E455-Y519 HydrophobicContact CG-CD1 3.99Å; E455-Y521 HydrophobicContact CG-CE2 4.2Å; E455-Y521 VanDerWaalsContact CG-OH 3.24Å; E455-Y521 WeakPolarHBondContact CG-OH 3.48Å
456	R	97.7	Very high	96.3	Very high	32 Å²	32	32.5 Å²	32.5	12%	0.121	17%	0.172	C	C	.	.	H	α-helix	trans	-75.2	-37.9	-177.9	-66.7	-70.4	-67.4	112.1	12	112.9	A385 W452 H458 E459 S460 A476	A385-R456 HydrophobicContact CB-CB 3.63Å; A385-R456 WeakPolarHBondContact O-CB 3.4Å; A385-R456 VanDerWaalsContact O-CZ 3.3Å; A385-R456 PolarHBondContact O-NH2 3.22Å; A385-R456 VanDerWaalsContact O-NH2 3.08Å; W452-R456 HydrophobicContact CD2-CG 4.35Å; W452-R456 HydrophobicContact CG-CG 4.2Å; W452-R456 WeakPolarHBondContact O-CB 3.39Å; W452-R456 VanDerWaalsContact O-CG 3.32Å; W452-R456 WeakPolarHBondContact O-CG 3.39Å; W452-R456 PolarHBondContact O-N 3.14Å; R456-H458 VanDerWaalsContact C-N 3.31Å; R456-E459 IonicContact CZ-OE2 3.44Å; R456-E459 IonicContact NH1-OE2 3.54Å; R456-E459 PolarHBondContact NH1-OE2 3.26Å; R456-E459 PolarHBondContact O-N 2.85Å; R456-S460 WeakPolarHBondContact O-CB 3.4Å; R456-S460 PolarHBondContact O-N 2.88Å; R456-S460 PolarHBondContact O-OG 2.77Å; R456-A476 WeakPolarHBondContact CD-O 3.36Å; R456-A476 HydrophobicContact CG-CB 4.4Å
457	S	97.9	Very high	96.2	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-65.8	-35.2	171.9	-66.5	0	0	0	0	111.5	I286 F383 T384 A385 I453 S460 Y461	I286-S457 VanDerWaalsContact CG2-CB 3.43Å; F383-S457 PolarHBondContact O-OG 3.4Å; T384-S457 WeakPolarHBondContact CA-OG 3.43Å; T384-S457 PolarHBondContact O-OG 2.94Å; A385-S457 PolarHBondContact N-OG 2.91Å; I453-S457 WeakPolarHBondContact O-CB 3.25Å; I453-S457 PolarHBondContact O-N 2.86Å; I453-S457 PolarHBondContact O-OG 3.01Å; S457-S460 PolarHBondContact O-N 3.37Å; S457-Y461 PolarHBondContact O-N 3.42Å
458	H	98.3	Very high	96	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-63.3	-48.8	171.6	-179.5	-91.6	0	0	0	112.6	M288 Q330 F334 R454 E455 R456 S460 Y461 A462 Y519 Y521 Y525	M288-H458 HydrophobicContact CE-CB 4.4Å; Q330-H458 PolarHBondContact O-CE1 2.91Å; Q330-H458 PolarHBondContact O-NE2 3.45Å; Q330-H458 VanDerWaalsContact O-NE2 3.13Å; F334-H458 HydrophobicContact CZ-CB 4.08Å; F334-H458 AromaticContact CZ-CD2 3.97Å; R454-H458 VanDerWaalsContact O-CB 3.3Å; R454-H458 WeakPolarHBondContact O-CB 3.47Å; R454-H458 PolarHBondContact O-N 2.68Å; E455-H458 PolarHBondContact O-N 3.42Å; R456-H458 VanDerWaalsContact C-N 3.31Å; H458-S460 VanDerWaalsContact C-N 3.26Å; H458-S460 PolarHBondContact O-N 2.68Å; H458-Y461 PolarHBondContact O-N 2.89Å; H458-A462 WeakPolarHBondContact O-CB 3.43Å; H458-A462 PolarHBondContact O-N 2.94Å; H458-Y519 HydrophobicContact CB-CE1 4.39Å; H458-Y519 AromaticContact ND1-CE1 3.59Å; H458-Y519 AromaticContact ND1-CZ 3.65Å; H458-Y519 PolarHBondContact ND1-OH 3.33Å; H458-Y521 HydrophobicContact CB-CD1 4.07Å; H458-Y521 HydrophobicContact CB-CE1 4Å; H458-Y521 AromaticContact CD2-CD1 3.88Å; H458-Y521 AromaticContact CE1-CD1 3.79Å; H458-Y521 AromaticContact CG-CD1 3.49Å; H458-Y521 VanDerWaalsContact CG-CD1 3.49Å; H458-Y521 AromaticContact CG-CE1 3.94Å; H458-Y521 AromaticContact ND1-CD1 3.43Å; H458-Y521 WeakPolarHBondContact ND1-CD1 3.17Å; H458-Y525 AromaticContact CD2-CE2 3.72Å; H458-Y525 AromaticContact CD2-CZ 3.96Å; H458-Y525 PolarHBondContact CD2-OH 2.99Å; H458-Y525 VanDerWaalsContact CD2-OH 3.26Å; H458-Y525 AromaticContact NE2-CE2 3.43Å; H458-Y525 WeakPolarHBondContact NE2-CE2 3.38Å; H458-Y525 AromaticContact NE2-CZ 3.82Å; H458-Y525 PolarHBondContact NE2-OH 3.22Å
459	E	97.8	Very high	96.1	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.009	18%	0.175	C	C	.	.	H	α-helix	trans	-58.5	-41	174.8	-177.9	165.7	-136.2	0	0	111.7	E455 R456 K463 P474 L475 A476 Y519 Y522	E455-E459 PolarHBondContact O-N 2.84Å; R456-E459 IonicContact CZ-OE2 3.44Å; R456-E459 IonicContact NH1-OE2 3.54Å; R456-E459 PolarHBondContact NH1-OE2 3.26Å; R456-E459 PolarHBondContact O-N 2.85Å; E459-K463 HydrophobicContact CG-CD 3.89Å; E459-K463 HydrophobicContact CG-CG 4.18Å; E459-K463 WeakPolarHBondContact O-CB 3.35Å; E459-K463 WeakPolarHBondContact O-CG 3.48Å; E459-K463 PolarHBondContact O-N 3.46Å; E459-K463 WeakPolarHBondContact OE1-CE 3.47Å; E459-K463 IonicContact OE1-NZ 3.2Å; E459-K463 PolarHBondContact OE1-NZ 2.69Å; E459-P474 WeakPolarHBondContact OE2-CA 3.45Å; E459-P474 VanDerWaalsContact OE2-CB 3.24Å; E459-P474 WeakPolarHBondContact OE2-CB 3.39Å; E459-L475 WeakPolarHBondContact OE1-CB 3.29Å; E459-L475 PolarHBondContact OE1-N 2.84Å; E459-L475 PolarHBondContact OE2-N 3.33Å; E459-L475 VanDerWaalsContact OE2-N 3.14Å; E459-A476 HydrophobicContact CB-CB 3.7Å; E459-A476 HydrophobicContact CG-CB 4.43Å; E459-A476 VanDerWaalsContact OE2-CB 3.3Å; E459-A476 WeakPolarHBondContact OE2-CB 3.45Å; E459-A476 PolarHBondContact OE2-N 3.01Å; E459-Y519 WeakPolarHBondContact CA-OH 3.49Å; E459-Y519 VanDerWaalsContact CB-OH 3.31Å; E459-Y519 WeakPolarHBondContact CB-OH 3.41Å; E459-Y519 PolarHBondContact N-OH 2.58Å; E459-Y522 PolarHBondContact OE1-OH 3.35Å
460	S	96.4	Very high	95.8	Very high	11 Å²	11	32.6 Å²	32.6	8%	0.077	18%	0.177	C	C	.	.	H	α-helix	trans	-64.2	-41.3	177.9	-66.2	0	0	0	0	112.9	T384 A385 R456 S457 H458 N464	T384-S460 WeakPolarHBondContact O-CB 3.49Å; T384-S460 PolarHBondContact O-OG 2.98Å; A385-S460 PolarHBondContact O-OG 3.25Å; A385-S460 VanDerWaalsContact O-OG 3.1Å; R456-S460 WeakPolarHBondContact O-CB 3.4Å; R456-S460 PolarHBondContact O-N 2.88Å; R456-S460 PolarHBondContact O-OG 2.77Å; S457-S460 PolarHBondContact O-N 3.37Å; H458-S460 VanDerWaalsContact C-N 3.26Å; H458-S460 PolarHBondContact O-N 2.68Å; S460-N464 PolarHBondContact O-N 3.34Å; S460-N464 VanDerWaalsContact O-N 3.12Å
461	Y	96.8	Very high	95.6	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-63.1	-55.7	173.4	-172.2	-84.4	0	0	0	111.3	M288 H290 Y328 E329 P332 F383 S457 H458 K463 N464	M288-Y461 HydrophobicContact SD-CD2 3.74Å; M288-Y461 HydrophobicContact SD-CE2 4.48Å; M288-Y461 HydrophobicContact SD-CG 3.93Å; H290-Y461 PolarHBondContact ND1-OH 2.76Å; H290-Y461 VanDerWaalsContact ND1-OH 3.12Å; Y328-Y461 HydrophobicContact CD1-CD1 4.5Å; Y328-Y461 HydrophobicContact CD1-CD2 4.16Å; Y328-Y461 HydrophobicContact CD1-CE1 4.11Å; Y328-Y461 AromaticContact CD1-CE2 3.71Å; Y328-Y461 HydrophobicContact CD1-CE2 3.71Å; Y328-Y461 AromaticContact CD1-CZ 3.69Å; Y328-Y461 HydrophobicContact CE1-CE2 4.08Å; E329-Y461 HydrophobicContact CG-CE1 3.94Å; E329-Y461 WeakPolarHBondContact O-CD1 3.28Å; E329-Y461 WeakPolarHBondContact O-CE1 3.41Å; E329-Y461 WeakPolarHBondContact OE1-CE1 3.44Å; E329-Y461 VanDerWaalsContact OE1-CZ 3.29Å; E329-Y461 PolarHBondContact OE1-OH 2.84Å; P332-Y461 HydrophobicContact CB-CD1 3.79Å; P332-Y461 HydrophobicContact CB-CE1 3.61Å; P332-Y461 HydrophobicContact CB-CE2 4.49Å; P332-Y461 HydrophobicContact CB-CG 4.3Å; P332-Y461 HydrophobicContact CG-CD1 3.56Å; P332-Y461 HydrophobicContact CG-CE1 3.92Å; P332-Y461 HydrophobicContact CG-CG 4.01Å; F383-Y461 AromaticContact CD1-CD2 3.87Å; F383-Y461 HydrophobicContact CD1-CD2 3.87Å; F383-Y461 AromaticContact CD2-CD2 3.77Å; F383-Y461 HydrophobicContact CD2-CD2 3.77Å; F383-Y461 HydrophobicContact CD2-CE2 4.21Å; F383-Y461 AromaticContact CE1-CD2 3.55Å; F383-Y461 HydrophobicContact CE1-CD2 3.55Å; F383-Y461 HydrophobicContact CE1-CE2 4.04Å; F383-Y461 AromaticContact CE2-CD2 3.41Å; F383-Y461 HydrophobicContact CE2-CD2 3.41Å; F383-Y461 VanDerWaalsContact CE2-CD2 3.41Å; F383-Y461 AromaticContact CE2-CE2 3.43Å; F383-Y461 HydrophobicContact CE2-CE2 3.43Å; F383-Y461 VanDerWaalsContact CE2-CE2 3.43Å; F383-Y461 AromaticContact CG-CD2 3.99Å; F383-Y461 HydrophobicContact CG-CD2 3.99Å; F383-Y461 AromaticContact CZ-CD2 3.32Å; F383-Y461 HydrophobicContact CZ-CD2 3.32Å; F383-Y461 AromaticContact CZ-CE2 3.35Å; F383-Y461 HydrophobicContact CZ-CE2 3.35Å; S457-Y461 PolarHBondContact O-N 3.42Å; H458-Y461 PolarHBondContact O-N 2.89Å; Y461-K463 PolarHBondContact O-N 2.76Å; Y461-N464 WeakPolarHBondContact O-CB 3.21Å; Y461-N464 PolarHBondContact O-N 3.02Å
462	A	95.9	Very high	95.5	Very high	13 Å²	13	27.3 Å²	27.3	11%	0.107	15%	0.145	C	C	.	.	H	α-helix	trans	-66.1	-24.4	-176.5	0	0	0	0	0	113.4	H458 Y522	H458-A462 WeakPolarHBondContact O-CB 3.43Å; H458-A462 PolarHBondContact O-N 2.94Å; A462-Y522 HydrophobicContact CB-CD2 4.14Å; A462-Y522 HydrophobicContact CB-CE2 3.85Å
463	K	94.6	Very high	95.5	Very high	42 Å²	42	27.3 Å²	27.3	18%	0.183	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	1.2	172.8	-72.9	-169.3	172.4	-174.6	0	114.1	E459 Y461 Y465 S466 D472 Y522	E459-K463 HydrophobicContact CG-CD 3.89Å; E459-K463 HydrophobicContact CG-CG 4.18Å; E459-K463 WeakPolarHBondContact O-CB 3.35Å; E459-K463 WeakPolarHBondContact O-CG 3.48Å; E459-K463 PolarHBondContact O-N 3.46Å; E459-K463 WeakPolarHBondContact OE1-CE 3.47Å; E459-K463 IonicContact OE1-NZ 3.2Å; E459-K463 PolarHBondContact OE1-NZ 2.69Å; Y461-K463 PolarHBondContact O-N 2.76Å; K463-Y465 PolarHBondContact O-N 3.38Å; K463-S466 VanDerWaalsContact O-CB 3.27Å; K463-S466 WeakPolarHBondContact O-CB 3.33Å; K463-S466 PolarHBondContact O-N 3.12Å; K463-S466 PolarHBondContact O-OG 3.28Å; K463-D472 IonicContact NZ-OD1 2.7Å; K463-D472 PolarHBondContact NZ-OD1 2.62Å; K463-D472 IonicContact NZ-OD2 2.92Å; K463-D472 PolarHBondContact NZ-OD2 2.81Å; K463-Y522 WeakPolarHBondContact CE-OH 3.32Å
464	N	93.8	Very high	95.4	Very high	36 Å²	36	27 Å²	27	19%	0.193	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.6	-41.9	-172.3	176.5	28.2	0	0	0	113.5	Y328 H387 S460 Y461	Y328-N464 HydrophobicContact CD1-CB 4.13Å; Y328-N464 WeakPolarHBondContact CD1-ND2 3.31Å; Y328-N464 WeakPolarHBondContact CD2-ND2 3.31Å; Y328-N464 WeakPolarHBondContact CE1-ND2 3.47Å; Y328-N464 WeakPolarHBondContact CE2-ND2 3.5Å; Y328-N464 HydrophobicContact CG-CB 4.16Å; Y328-N464 VanDerWaalsContact CG-ND2 3.28Å; H387-N464 PolarHBondContact CE1-OD1 2.93Å; H387-N464 PolarHBondContact NE2-OD1 3.46Å; S460-N464 PolarHBondContact O-N 3.34Å; S460-N464 VanDerWaalsContact O-N 3.12Å; Y461-N464 WeakPolarHBondContact O-CB 3.21Å; Y461-N464 PolarHBondContact O-N 3.02Å
465	Y	94.1	Very high	95.4	Very high	13 Å²	13	24.3 Å²	24.3	5%	0.051	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	11.6	178.5	-76.6	14.4	0	0	0	114	R158 R308 H310 Y315 Y328 K463	R158-Y465 PolarHBondContact NH1-O 3.15Å; R158-Y465 PolarHBondContact NH2-O 2.86Å; R308-Y465 HydrophobicContact CG-CD2 4.17Å; R308-Y465 HydrophobicContact CG-CE1 4.42Å; R308-Y465 HydrophobicContact CG-CE2 3.48Å; R308-Y465 VanDerWaalsContact CG-CE2 3.48Å; R308-Y465 VanDerWaalsContact NE-CZ 3.34Å; R308-Y465 PolarHBondContact NE-OH 2.83Å; H310-Y465 WeakPolarHBondContact CB-O 3.31Å; H310-Y465 WeakPolarHBondContact O-CB 3.47Å; H310-Y465 VanDerWaalsContact O-O 3.08Å; Y315-Y465 WeakPolarHBondContact CD1-OH 3.47Å; Y328-Y465 HydrophobicContact CD2-CD1 4.18Å; Y328-Y465 AromaticContact CD2-CE1 3.8Å; Y328-Y465 HydrophobicContact CD2-CE1 3.8Å; Y328-Y465 HydrophobicContact CD2-CE2 4.18Å; Y328-Y465 AromaticContact CD2-CZ 3.79Å; Y328-Y465 HydrophobicContact CE2-CD1 4.48Å; Y328-Y465 AromaticContact CE2-CE1 3.7Å; Y328-Y465 HydrophobicContact CE2-CE1 3.7Å; Y328-Y465 HydrophobicContact CE2-CE2 4.45Å; Y328-Y465 AromaticContact CE2-CZ 3.66Å; K463-Y465 PolarHBondContact O-N 3.38Å
466	S	94.2	Very high	95.4	Very high	55 Å²	55	23.6 Å²	23.6	39%	0.385	13%	0.132	S	C	.	.	S	Bend	trans	-62.9	162.4	172.3	-68.5	0	0	0	0	112.4	R158 K463	R158-S466 PolarHBondContact NH1-O 3.36Å; R158-S466 VanDerWaalsContact NH1-O 3.08Å; K463-S466 VanDerWaalsContact O-CB 3.27Å; K463-S466 WeakPolarHBondContact O-CB 3.33Å; K463-S466 PolarHBondContact O-N 3.12Å; K463-S466 PolarHBondContact O-OG 3.28Å
467	V	94.6	Very high	95.3	Very high	18 Å²	18	22 Å²	22	11%	0.109	13%	0.126	C	C	.	.			trans	-72.2	133.5	168.4	178.3	0	0	0	0	108.7	E161 F469 F545	E161-V467 HydrophobicContact CB-CG1 4.41Å; V467-F469 HydrophobicContact CB-CD2 4.17Å; V467-F469 HydrophobicContact CB-CE1 4.32Å; V467-F469 HydrophobicContact CB-CE2 3.59Å; V467-F469 HydrophobicContact CB-CZ 3.68Å; V467-F469 HydrophobicContact CG1-CD1 3.98Å; V467-F469 HydrophobicContact CG1-CD2 4.13Å; V467-F469 HydrophobicContact CG1-CE1 3.57Å; V467-F469 HydrophobicContact CG1-CE2 3.74Å; V467-F469 HydrophobicContact CG1-CG 4.25Å; V467-F469 HydrophobicContact CG1-CZ 3.44Å; V467-F469 VanDerWaalsContact CG1-CZ 3.44Å; V467-F469 HydrophobicContact CG2-CE2 4.46Å; V467-F469 HydrophobicContact CG2-CZ 4.27Å; V467-F469 PolarHBondContact O-N 3.29Å; V467-F545 HydrophobicContact CG1-CE2 3.69Å; V467-F545 HydrophobicContact CG1-CZ 3.6Å
468	V	90.8	Very high	95.3	Very high	90 Å²	90	22.4 Å²	22.4	55%	0.545	13%	0.127	S	C	.	.			trans	-86.3	89.1	178.6	-174.4	0	0	0	0	109.6	P115 E161	P115-V468 HydrophobicContact CG-CG2 4.32Å; E161-V468 PolarHBondContact OE1-N 3.01Å
469	F	94.4	Very high	95.2	Very high	28 Å²	28	24.9 Å²	24.9	12%	0.123	14%	0.141	C	C	.	.			trans	-78.6	144.1	176	-65.3	-68.6	0	0	0	112	Q157 V467 F471 D472 Y543 T544 F545	Q157-F469 HydrophobicContact CB-CE1 4.16Å; Q157-F469 HydrophobicContact CB-CZ 4.06Å; Q157-F469 HydrophobicContact CG-CE1 4.12Å; Q157-F469 HydrophobicContact CG-CZ 4.11Å; V467-F469 HydrophobicContact CB-CD2 4.17Å; V467-F469 HydrophobicContact CB-CE1 4.32Å; V467-F469 HydrophobicContact CB-CE2 3.59Å; V467-F469 HydrophobicContact CB-CZ 3.68Å; V467-F469 HydrophobicContact CG1-CD1 3.98Å; V467-F469 HydrophobicContact CG1-CD2 4.13Å; V467-F469 HydrophobicContact CG1-CE1 3.57Å; V467-F469 HydrophobicContact CG1-CE2 3.74Å; V467-F469 HydrophobicContact CG1-CG 4.25Å; V467-F469 HydrophobicContact CG1-CZ 3.44Å; V467-F469 VanDerWaalsContact CG1-CZ 3.44Å; V467-F469 HydrophobicContact CG2-CE2 4.46Å; V467-F469 HydrophobicContact CG2-CZ 4.27Å; V467-F469 PolarHBondContact O-N 3.29Å; F469-F471 PolarHBondContact O-N 2.6Å; F469-D472 HydrophobicContact CB-CB 4.49Å; F469-D472 PolarHBondContact O-N 3.21Å; F469-Y543 HydrophobicContact CB-CD1 4.29Å; F469-Y543 VanDerWaalsContact CD1-C 3.49Å; F469-Y543 AromaticContact CD2-CD1 3.81Å; F469-Y543 HydrophobicContact CD2-CD1 3.81Å; F469-Y543 HydrophobicContact CD2-CD2 4.42Å; F469-Y543 AromaticContact CD2-CG 3.69Å; F469-Y543 HydrophobicContact CD2-CG 3.69Å; F469-Y543 VanDerWaalsContact CE1-C 3.41Å; F469-Y543 HydrophobicContact CE2-CD2 4.4Å; F469-Y543 AromaticContact CE2-CG 3.93Å; F469-Y543 HydrophobicContact CE2-CG 3.93Å; F469-Y543 HydrophobicContact CG-CD1 4.24Å; F469-Y543 HydrophobicContact CG-CG 4.37Å; F469-T544 VanDerWaalsContact CD1-N 3.31Å; F469-F545 HydrophobicContact CD1-CE1 4.31Å; F469-F545 HydrophobicContact CD1-CE2 4.19Å; F469-F545 HydrophobicContact CD1-CZ 4.06Å; F469-F545 HydrophobicContact CE1-CD2 4.31Å; F469-F545 AromaticContact CE1-CE2 3.94Å; F469-F545 HydrophobicContact CE1-CE2 3.94Å; F469-F545 HydrophobicContact CE1-CZ 4.24Å
470	P	91.1	Very high	95.1	Very high	48 Å²	48	26.9 Å²	26.9	31%	0.312	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-23.4	-175.2	-24.9	34.2	0	0	0	115.4	F545 F834	P470-F545 HydrophobicContact CG-CD1 4.34Å; P470-F834 HydrophobicContact CB-CB 4.22Å; P470-F834 HydrophobicContact CB-CD1 3.85Å; P470-F834 HydrophobicContact CB-CE1 4.38Å; P470-F834 HydrophobicContact CB-CG 3.95Å; P470-F834 HydrophobicContact CG-CB 4.05Å; P470-F834 HydrophobicContact CG-CD1 3.77Å; P470-F834 HydrophobicContact CG-CD2 3.66Å; P470-F834 HydrophobicContact CG-CE1 4.11Å; P470-F834 HydrophobicContact CG-CE2 4Å; P470-F834 HydrophobicContact CG-CG 3.53Å; P470-F834 HydrophobicContact CG-CZ 4.21Å
471	F	92.4	Very high	95	Very high	32 Å²	32	27.2 Å²	27.2	14%	0.14	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.1	21.9	-172.1	-44.6	-53.1	0	0	0	113	F469 E542 P548 R763 F834	F469-F471 PolarHBondContact O-N 2.6Å; F471-E542 HydrophobicContact CB-CB 4.31Å; F471-E542 VanDerWaalsContact CB-OE2 3.29Å; F471-E542 WeakPolarHBondContact CB-OE2 3.35Å; F471-P548 HydrophobicContact CD2-CG 4.5Å; F471-R763 VanDerWaalsContact CE1-CZ 3.45Å; F471-R763 VanDerWaalsContact CE1-NH2 3.29Å; F471-F834 HydrophobicContact CE1-CD1 4.48Å; F471-F834 HydrophobicContact CE2-CD1 4.07Å; F471-F834 AromaticContact CE2-CE1 3.6Å; F471-F834 HydrophobicContact CE2-CE1 3.6Å; F471-F834 AromaticContact CZ-CD1 3.61Å; F471-F834 HydrophobicContact CZ-CD1 3.61Å; F471-F834 AromaticContact CZ-CE1 3.59Å; F471-F834 HydrophobicContact CZ-CE1 3.59Å
472	D	94.6	Very high	95	Very high	46 Å²	46	32.8 Å²	32.8	25%	0.246	17%	0.174	C	C	.	.			trans	-65.6	150.1	167.3	-171	28.7	0	0	0	110.5	K463 F469 Y543	K463-D472 IonicContact NZ-OD1 2.7Å; K463-D472 PolarHBondContact NZ-OD1 2.62Å; K463-D472 IonicContact NZ-OD2 2.92Å; K463-D472 PolarHBondContact NZ-OD2 2.81Å; F469-D472 HydrophobicContact CB-CB 4.49Å; F469-D472 PolarHBondContact O-N 3.21Å; D472-Y543 HydrophobicContact CB-CE1 3.84Å; D472-Y543 WeakPolarHBondContact OD1-CE1 3.48Å; D472-Y543 VanDerWaalsContact OD1-CZ 3.24Å; D472-Y543 PolarHBondContact OD1-OH 3.34Å
473	E	96.4	Very high	95	Very high	7 Å²	7	32.7 Å²	32.7	3%	0.033	17%	0.172	C	C	.	.			trans	-136.1	148.5	-178.5	-71.5	-69.1	152.6	0	0	108.8	Q497 E498 R499 L539	E473-Q497 HydrophobicContact CG-CB 4.41Å; E473-Q497 HydrophobicContact CG-CG 4.08Å; E473-Q497 WeakPolarHBondContact OE1-CB 3.33Å; E473-Q497 VanDerWaalsContact OE1-CD 3.26Å; E473-Q497 WeakPolarHBondContact OE1-CG 3.49Å; E473-Q497 PolarHBondContact OE1-NE2 2.96Å; E473-Q497 VanDerWaalsContact OE2-CA 3.27Å; E473-Q497 WeakPolarHBondContact OE2-CA 3.4Å; E473-Q497 WeakPolarHBondContact OE2-CB 3.24Å; E473-E498 PolarHBondContact OE2-N 2.92Å; E473-R499 IonicContact OE1-CZ 2.84Å; E473-R499 IonicContact OE1-NH1 2.68Å; E473-R499 PolarHBondContact OE1-NH1 2.69Å; E473-R499 IonicContact OE1-NH2 3.23Å; E473-R499 PolarHBondContact OE1-NH2 3.44Å; E473-R499 IonicContact OE2-CZ 3.53Å; E473-R499 IonicContact OE2-NH1 3.53Å; E473-R499 PolarHBondContact OE2-NH1 2.66Å; E473-L539 HydrophobicContact CB-CD1 3.99Å; E473-L539 HydrophobicContact CB-CD2 4.32Å; E473-L539 HydrophobicContact CG-CD1 4.3Å
474	P	96.4	Very high	95.2	Very high	15 Å²	15	32.3 Å²	32.3	10%	0.097	17%	0.174	C	C	.	.			trans	-66.5	144.1	-178.4	28.6	-35	0	0	0	111.6	E459 R478 E498	E459-P474 WeakPolarHBondContact OE2-CA 3.45Å; E459-P474 VanDerWaalsContact OE2-CB 3.24Å; E459-P474 WeakPolarHBondContact OE2-CB 3.39Å; P474-R478 VanDerWaalsContact O-CD 3.29Å; P474-R478 WeakPolarHBondContact O-CD 3.46Å; P474-R478 PolarHBondContact O-NH1 3.07Å; P474-E498 HydrophobicContact CG-CB 3.7Å; P474-E498 HydrophobicContact CG-CG 4.21Å
475	L	97.1	Very high	95.4	Very high	7 Å²	7	30.7 Å²	30.7	4%	0.037	17%	0.165	C	C	.	.			trans	-97.9	-22.2	168.4	-58.7	178.9	0	0	0	111.2	E459 Y519 Y522 Y533 Y535 K536 L539	E459-L475 WeakPolarHBondContact OE1-CB 3.29Å; E459-L475 PolarHBondContact OE1-N 2.84Å; E459-L475 PolarHBondContact OE2-N 3.33Å; E459-L475 VanDerWaalsContact OE2-N 3.14Å; L475-Y519 HydrophobicContact CB-CD2 4.34Å; L475-Y519 HydrophobicContact CB-CE2 4.47Å; L475-Y522 HydrophobicContact CD1-CE1 4.25Å; L475-Y533 HydrophobicContact CD2-CE1 4.16Å; L475-Y535 HydrophobicContact CD2-CD1 4.11Å; L475-Y535 HydrophobicContact CD2-CE1 4.11Å; L475-K536 HydrophobicContact CD1-CD 3.76Å; L475-K536 HydrophobicContact CD1-CG 4.07Å; L475-K536 HydrophobicContact CD2-CB 4.45Å; L475-L539 HydrophobicContact CD2-CD2 3.99Å
476	A	97.5	Very high	95.6	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.167	C	C	.	.	S	Bend	trans	-75.9	147.5	172.1	0	0	0	0	0	112.2	E455 R456 E459 R478 Y519	E455-A476 HydrophobicContact CB-CB 4Å; E455-A476 WeakPolarHBondContact O-CB 3.2Å; R456-A476 WeakPolarHBondContact CD-O 3.36Å; R456-A476 HydrophobicContact CG-CB 4.4Å; E459-A476 HydrophobicContact CB-CB 3.7Å; E459-A476 HydrophobicContact CG-CB 4.43Å; E459-A476 VanDerWaalsContact OE2-CB 3.3Å; E459-A476 WeakPolarHBondContact OE2-CB 3.45Å; E459-A476 PolarHBondContact OE2-N 3.01Å; A476-R478 VanDerWaalsContact C-N 3.29Å; A476-R478 PolarHBondContact O-N 2.77Å; A476-R478 VanDerWaalsContact O-N 3.14Å; A476-Y519 HydrophobicContact CB-CD1 3.93Å; A476-Y519 HydrophobicContact CB-CD2 3.99Å; A476-Y519 HydrophobicContact CB-CE1 3.91Å; A476-Y519 HydrophobicContact CB-CE2 4.02Å; A476-Y519 HydrophobicContact CB-CG 3.93Å
477	S	96.8	Very high	95.8	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.182	C	C	.	.	S	Bend	trans	45.7	46.1	172.2	-51.9	0	0	0	0	116.2	W452 E455 M480	W452-S477 WeakPolarHBondContact CA-OG 3.26Å; E455-S477 WeakPolarHBondContact CB-OG 3.5Å; E455-S477 WeakPolarHBondContact OE2-CA 3.46Å; E455-S477 WeakPolarHBondContact OE2-CB 3.23Å; E455-S477 PolarHBondContact OE2-N 3.27Å; E455-S477 PolarHBondContact OE2-OG 3.04Å; S477-M480 VanDerWaalsContact O-CG 3.25Å; S477-M480 WeakPolarHBondContact O-CG 3.41Å
478	R	97	Very high	96	Very high	7 Å²	7	35.2 Å²	35.2	3%	0.026	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	154.5	167.4	-60.7	-61.3	-68.9	-94	0.6	111.4	P474 A476 F496 E503 P516 Y535	P474-R478 VanDerWaalsContact O-CD 3.29Å; P474-R478 WeakPolarHBondContact O-CD 3.46Å; P474-R478 PolarHBondContact O-NH1 3.07Å; A476-R478 VanDerWaalsContact C-N 3.29Å; A476-R478 PolarHBondContact O-N 2.77Å; A476-R478 VanDerWaalsContact O-N 3.14Å; R478-F496 PolarHBondContact NH2-O 3.39Å; R478-E503 WeakPolarHBondContact CA-OE1 3.44Å; R478-E503 WeakPolarHBondContact CB-OE1 3.5Å; R478-E503 IonicContact CZ-OE1 2.7Å; R478-E503 IonicContact CZ-OE2 2.68Å; R478-E503 IonicContact NE-OE1 3.6Å; R478-E503 PolarHBondContact NE-OE1 3.27Å; R478-E503 IonicContact NE-OE2 2.73Å; R478-E503 PolarHBondContact NE-OE2 2.84Å; R478-E503 VanDerWaalsContact NE-OE2 3.16Å; R478-E503 IonicContact NH2-OE1 2.98Å; R478-E503 IonicContact NH2-OE2 2.74Å; R478-E503 PolarHBondContact NH2-OE2 3.28Å; R478-P516 HydrophobicContact CB-CB 3.81Å; R478-P516 HydrophobicContact CB-CG 4.03Å; R478-P516 HydrophobicContact CG-CB 3.92Å; R478-P516 HydrophobicContact CG-CG 4.48Å; R478-Y535 VanDerWaalsContact NH1-CZ 3.33Å; R478-Y535 PolarHBondContact NH1-OH 3.2Å; R478-Y535 PolarHBondContact NH2-OH 2.98Å
479	N	95.9	Very high	96.3	Very high	52 Å²	52	31 Å²	31	28%	0.278	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.8	32.6	-177.9	-53.5	-92.8	0	0	0	115.4	K482 H486 E503	N479-K482 HydrophobicContact CB-CD 4.1Å; N479-K482 HydrophobicContact CB-CG 4.37Å; N479-H486 PolarHBondContact OD1-NE2 3.16Å; N479-E503 PolarHBondContact N-OE1 3.31Å
480	M	95.6	Very high	96.5	Very high	44 Å²	44	30.9 Å²	30.9	22%	0.217	16%	0.156	C	C	.	.	S	Bend	trans	-69.7	-38.8	176.3	-65.4	-57.7	-61.4	0	0	112.4	L446 N449 W452 S477	L446-M480 HydrophobicContact CD2-CB 4.11Å; L446-M480 HydrophobicContact CD2-CE 4.34Å; L446-M480 HydrophobicContact CD2-CG 4.36Å; N449-M480 HydrophobicContact CB-CE 4.49Å; N449-M480 WeakPolarHBondContact ND2-CE 3.27Å; N449-M480 WeakPolarHBondContact OD1-CE 3.49Å; W452-M480 HydrophobicContact CB-CE 4.05Å; W452-M480 HydrophobicContact CB-SD 4.48Å; S477-M480 VanDerWaalsContact O-CG 3.25Å; S477-M480 WeakPolarHBondContact O-CG 3.41Å
481	R	95.3	Very high	96.8	Very high	18 Å²	18	34.5 Å²	34.5	7%	0.068	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-132.8	136.9	174	-56	170.5	79.3	178.7	10.2	108	H443 H500 G501 W502 E503 E675	H443-R481 PolarHBondContact CD2-NH1 3.41Å; H443-R481 PolarHBondContact CE1-NH1 3.19Å; H443-R481 VanDerWaalsContact CE1-NH1 3.26Å; H443-R481 PolarHBondContact CE1-NH2 3.06Å; H443-R481 PolarHBondContact ND1-NH1 3.33Å; H443-R481 PolarHBondContact NE2-NH1 2.94Å; H443-R481 VanDerWaalsContact NE2-NH1 3.16Å; H443-R481 PolarHBondContact NE2-NH2 2.91Å; H443-R481 VanDerWaalsContact NE2-NH2 3.1Å; R481-H500 WeakPolarHBondContact CD-O 3.48Å; R481-H500 PolarHBondContact NH1-O 2.97Å; R481-G501 PolarHBondContact N-O 3.36Å; R481-W502 HydrophobicContact CB-CD2 3.72Å; R481-W502 HydrophobicContact CB-CE3 3.78Å; R481-W502 HydrophobicContact CB-CG 4.09Å; R481-W502 HydrophobicContact CB-CZ3 4.24Å; R481-W502 VanDerWaalsContact NH1-NE1 3.15Å; R481-W502 WeakPolarHBondContact O-CA 3.49Å; R481-E503 PolarHBondContact O-N 3.24Å; R481-E675 IonicContact CZ-OE1 2.71Å; R481-E675 IonicContact NE-OE1 3.84Å; R481-E675 PolarHBondContact NE-OE1 3.08Å; R481-E675 IonicContact NH2-OE1 3.95Å; R481-E675 PolarHBondContact NH2-OE1 3.31Å
482	K	96.3	Very high	97.1	Very high	118 Å²	118	37.4 Å²	37.4	51%	0.513	18%	0.183	S	C	.	.			trans	-136.7	131.4	-177.4	-68.5	-176	-69.5	169.9	0	109	N479 H486 E503	N479-K482 HydrophobicContact CB-CD 4.1Å; N479-K482 HydrophobicContact CB-CG 4.37Å; K482-H486 HydrophobicContact CB-CB 4.07Å; K482-E503 HydrophobicContact CG-CG 4.49Å
483	D	96.8	Very high	97.2	Very high	10 Å²	10	35.2 Å²	35.2	5%	0.053	17%	0.171	C	C	.	.			trans	-82.2	167.9	176.3	76.9	65	0	0	0	111.6	F485 H486 W502 N569	D483-F485 PolarHBondContact O-N 2.95Å; D483-F485 VanDerWaalsContact O-N 3.11Å; D483-F485 WeakPolarHBondContact OD1-CA 3.44Å; D483-F485 VanDerWaalsContact OD1-CB 3.29Å; D483-F485 WeakPolarHBondContact OD1-CB 3.29Å; D483-F485 VanDerWaalsContact OD1-CD2 3.3Å; D483-F485 WeakPolarHBondContact OD1-CD2 3.32Å; D483-F485 PolarHBondContact OD1-N 3.4Å; D483-H486 VanDerWaalsContact O-CB 3.3Å; D483-H486 WeakPolarHBondContact O-CB 3.26Å; D483-H486 PolarHBondContact O-N 2.96Å; D483-H486 VanDerWaalsContact O-N 3.09Å; D483-H486 PolarHBondContact OD1-N 3.3Å; D483-W502 HydrophobicContact CB-CE3 4.27Å; D483-W502 HydrophobicContact CB-CZ3 3.88Å; D483-N569 VanDerWaalsContact CG-ND2 3.29Å; D483-N569 PolarHBondContact OD1-ND2 3.2Å; D483-N569 VanDerWaalsContact OD1-ND2 3.17Å; D483-N569 PolarHBondContact OD2-ND2 3.4Å
484	P	97.6	Very high	97.3	Very high	35 Å²	35	34.9 Å²	34.9	23%	0.227	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-16.9	-174.6	-24.9	38	0	0	0	115	K738 C741 V742	P484-K738 HydrophobicContact CG-CB 4.5Å; P484-K738 HydrophobicContact CG-CG 3.96Å; P484-C741 HydrophobicContact CB-CB 3.54Å; P484-C741 HydrophobicContact CG-CB 4.18Å; P484-V742 WeakPolarHBondContact O-CG2 3.41Å
485	F	98.5	Very high	97.4	Very high	1 Å²	1	34.5 Å²	34.5	0%	0.004	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-7.9	178.4	-48.7	-73.3	0	0	0	113.1	D483 E487 V488 L489 S571 I680 I736 C741 Y745	D483-F485 PolarHBondContact O-N 2.95Å; D483-F485 VanDerWaalsContact O-N 3.11Å; D483-F485 WeakPolarHBondContact OD1-CA 3.44Å; D483-F485 VanDerWaalsContact OD1-CB 3.29Å; D483-F485 WeakPolarHBondContact OD1-CB 3.29Å; D483-F485 VanDerWaalsContact OD1-CD2 3.3Å; D483-F485 WeakPolarHBondContact OD1-CD2 3.32Å; D483-F485 PolarHBondContact OD1-N 3.4Å; F485-E487 VanDerWaalsContact C-N 3.33Å; F485-E487 PolarHBondContact O-N 3.42Å; F485-V488 HydrophobicContact CB-CG1 4.36Å; F485-V488 VanDerWaalsContact O-CG1 3.28Å; F485-V488 WeakPolarHBondContact O-CG1 3.48Å; F485-V488 PolarHBondContact O-N 2.99Å; F485-L489 HydrophobicContact CB-CD1 3.67Å; F485-L489 HydrophobicContact CB-CG 4Å; F485-L489 WeakPolarHBondContact O-CB 3.49Å; F485-L489 VanDerWaalsContact O-CG 3.29Å; F485-L489 WeakPolarHBondContact O-CG 3.18Å; F485-L489 PolarHBondContact O-N 3.47Å; F485-S571 WeakPolarHBondContact CD2-OG 3.36Å; F485-S571 VanDerWaalsContact CE2-OG 3.27Å; F485-S571 WeakPolarHBondContact CE2-OG 3.46Å; F485-I680 HydrophobicContact CD2-CG2 4.18Å; F485-I680 HydrophobicContact CE1-CG2 4.12Å; F485-I680 HydrophobicContact CE2-CG2 3.65Å; F485-I680 HydrophobicContact CZ-CG2 3.62Å; F485-I736 HydrophobicContact CZ-CD1 4.21Å; F485-C741 HydrophobicContact CD1-CB 4.36Å; F485-C741 HydrophobicContact CE1-CB 3.6Å; F485-C741 WeakPolarHBondContact CE1-O 3.25Å; F485-C741 HydrophobicContact CE2-CB 4.32Å; F485-C741 HydrophobicContact CZ-CB 3.57Å; F485-Y745 HydrophobicContact CD1-CD2 4.45Å; F485-Y745 HydrophobicContact CD1-CG 4.1Å; F485-Y745 HydrophobicContact CE1-CG 4.28Å
486	H	98.4	Very high	97.4	Very high	20 Å²	20	34.2 Å²	34.2	9%	0.093	17%	0.165	C	C	.	.	H	α-helix	trans	-50.1	-48	-172.7	176.9	-79	0	0	0	113.7	N479 K482 D483 T490 F496	N479-H486 PolarHBondContact OD1-NE2 3.16Å; K482-H486 HydrophobicContact CB-CB 4.07Å; D483-H486 VanDerWaalsContact O-CB 3.3Å; D483-H486 WeakPolarHBondContact O-CB 3.26Å; D483-H486 PolarHBondContact O-N 2.96Å; D483-H486 VanDerWaalsContact O-N 3.09Å; D483-H486 PolarHBondContact OD1-N 3.3Å; H486-T490 PolarHBondContact CE1-OG1 2.8Å; H486-T490 WeakPolarHBondContact O-CB 3.4Å; H486-T490 PolarHBondContact O-N 2.9Å; H486-T490 PolarHBondContact O-OG1 3.29Å; H486-F496 AromaticContact CD2-CE1 3.87Å; H486-F496 AromaticContact CD2-CZ 3.69Å; H486-F496 AromaticContact NE2-CE2 3.93Å
487	E	98.1	Very high	97.4	Very high	150 Å²	150	34.9 Å²	34.9	70%	0.701	17%	0.168	S	C	*	.	H	α-helix	trans	-65.2	-54.6	-177.8	-174.6	167.8	-151.2	0	0	111.8	F485 L489 T490 E491	F485-E487 VanDerWaalsContact C-N 3.33Å; F485-E487 PolarHBondContact O-N 3.42Å; E487-L489 VanDerWaalsContact C-N 3.27Å; E487-L489 PolarHBondContact O-N 3.12Å; E487-T490 WeakPolarHBondContact O-CA 3.26Å; E487-T490 VanDerWaalsContact O-CB 3.27Å; E487-T490 WeakPolarHBondContact O-CB 3.23Å; E487-T490 PolarHBondContact O-N 3.08Å; E487-E491 PolarHBondContact O-N 3.37Å; E487-E491 VanDerWaalsContact O-N 3.07Å
488	V	98.3	Very high	97.3	Very high	12 Å²	12	35.8 Å²	35.8	7%	0.073	17%	0.172	C	C	.	.	H	α-helix	trans	-62.8	-32.6	-179.9	64.7	0	0	0	0	112.6	F485 Q492 Y745	F485-V488 HydrophobicContact CB-CG1 4.36Å; F485-V488 VanDerWaalsContact O-CG1 3.28Å; F485-V488 WeakPolarHBondContact O-CG1 3.48Å; F485-V488 PolarHBondContact O-N 2.99Å; V488-Q492 WeakPolarHBondContact O-CG 3.37Å; V488-Q492 PolarHBondContact O-N 3.06Å; V488-Y745 HydrophobicContact CG1-CD1 4.09Å; V488-Y745 HydrophobicContact CG1-CE1 3.94Å; V488-Y745 HydrophobicContact CG2-CD1 4.41Å; V488-Y745 HydrophobicContact CG2-CE1 3.82Å
489	L	98.6	Very high	97.2	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.01	19%	0.186	C	C	.	.	H	α-helix	trans	-74.6	-32.3	174.3	-64	177.3	0	0	0	112.2	F485 E487 E491 Q492 G493 C494 F496 P505 F508 N569 Y745	F485-L489 HydrophobicContact CB-CD1 3.67Å; F485-L489 HydrophobicContact CB-CG 4Å; F485-L489 WeakPolarHBondContact O-CB 3.49Å; F485-L489 VanDerWaalsContact O-CG 3.29Å; F485-L489 WeakPolarHBondContact O-CG 3.18Å; F485-L489 PolarHBondContact O-N 3.47Å; E487-L489 VanDerWaalsContact C-N 3.27Å; E487-L489 PolarHBondContact O-N 3.12Å; L489-E491 VanDerWaalsContact C-N 3.34Å; L489-Q492 PolarHBondContact O-N 2.88Å; L489-G493 PolarHBondContact O-N 2.92Å; L489-C494 HydrophobicContact CB-CB 3.99Å; L489-C494 WeakPolarHBondContact O-CB 3.36Å; L489-C494 PolarHBondContact O-N 2.95Å; L489-F496 HydrophobicContact CB-CZ 4.12Å; L489-P505 HydrophobicContact CD1-CG 3.83Å; L489-F508 HydrophobicContact CB-CE1 4.42Å; L489-F508 HydrophobicContact CD2-CE1 4.02Å; L489-F508 HydrophobicContact CD2-CZ 4.05Å; L489-N569 HydrophobicContact CD1-CB 3.8Å; L489-N569 WeakPolarHBondContact CD1-ND2 3.43Å; L489-Y745 HydrophobicContact CD2-CE2 4.32Å
490	T	98.3	Very high	97	Very high	24 Å²	24	38 Å²	38	15%	0.147	18%	0.178	C	C	.	.	H	α-helix	trans	-59.5	-46.1	171.2	-57.8	0	0	0	0	110.6	H486 E487 Q492 G493 F496 P513 P515	H486-T490 PolarHBondContact CE1-OG1 2.8Å; H486-T490 WeakPolarHBondContact O-CB 3.4Å; H486-T490 PolarHBondContact O-N 2.9Å; H486-T490 PolarHBondContact O-OG1 3.29Å; E487-T490 WeakPolarHBondContact O-CA 3.26Å; E487-T490 VanDerWaalsContact O-CB 3.27Å; E487-T490 WeakPolarHBondContact O-CB 3.23Å; E487-T490 PolarHBondContact O-N 3.08Å; T490-Q492 VanDerWaalsContact C-N 3.25Å; T490-Q492 PolarHBondContact O-N 3.27Å; T490-G493 PolarHBondContact O-N 2.86Å; T490-F496 WeakPolarHBondContact OG1-CE2 3.43Å; T490-P513 WeakPolarHBondContact O-CB 3.39Å; T490-P513 WeakPolarHBondContact O-CG 3.24Å; T490-P515 HydrophobicContact CG2-CB 3.93Å; T490-P515 HydrophobicContact CG2-CG 4.33Å
491	E	97.9	Very high	96.9	Very high	124 Å²	124	36 Å²	36	58%	0.579	17%	0.168	S	C	*	.	H	α-helix	trans	-59.2	-35.9	175.8	-64.4	175.7	150.9	0	0	112.2	E487 L489 G493	E487-E491 PolarHBondContact O-N 3.37Å; E487-E491 VanDerWaalsContact O-N 3.07Å; L489-E491 VanDerWaalsContact C-N 3.34Å; E491-G493 PolarHBondContact O-N 3.03Å
492	Q	97.4	Very high	96.9	Very high	93 Å²	93	35.7 Å²	35.7	44%	0.435	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	4.3	176.8	-59.9	-105.3	-15.8	0	0	113.8	V488 L489 T490 F508 N759	V488-Q492 WeakPolarHBondContact O-CG 3.37Å; V488-Q492 PolarHBondContact O-N 3.06Å; L489-Q492 PolarHBondContact O-N 2.88Å; T490-Q492 VanDerWaalsContact C-N 3.25Å; T490-Q492 PolarHBondContact O-N 3.27Å; Q492-F508 HydrophobicContact CB-CD1 4.26Å; Q492-F508 HydrophobicContact CB-CE1 4.25Å; Q492-N759 PolarHBondContact OE1-ND2 3.16Å
493	G	97.7	Very high	97	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.2	14.5	179.2	0	0	0	0	0	115.3	L489 T490 E491 M495 N509	L489-G493 PolarHBondContact O-N 2.92Å; T490-G493 PolarHBondContact O-N 2.86Å; E491-G493 PolarHBondContact O-N 3.03Å; G493-M495 PolarHBondContact O-N 3.46Å; G493-N509 WeakPolarHBondContact O-CB 3.37Å; G493-N509 PolarHBondContact O-N 2.89Å
494	C	98.3	Very high	97	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.007	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.3	122.8	-179.2	-179.2	0	0	0	0	113	L489 F496 P505 F508	L489-C494 HydrophobicContact CB-CB 3.99Å; L489-C494 WeakPolarHBondContact O-CB 3.36Å; L489-C494 PolarHBondContact O-N 2.95Å; C494-F496 HydrophobicContact CB-CD2 4.19Å; C494-F496 HydrophobicContact CB-CE1 4.39Å; C494-F496 HydrophobicContact CB-CE2 3.7Å; C494-F496 HydrophobicContact CB-CZ 3.83Å; C494-F496 VanDerWaalsContact SG-CD1 3.53Å; C494-F496 WeakPolarHBondContact SG-CE1 3.33Å; C494-F496 VanDerWaalsContact SG-CZ 3.5Å; C494-P505 VanDerWaalsContact SG-CA 3.52Å; C494-P505 WeakPolarHBondContact SG-CB 3.49Å; C494-F508 HydrophobicContact CB-CD1 4.11Å; C494-F508 HydrophobicContact CB-CE1 3.66Å; C494-F508 HydrophobicContact CB-CZ 4.17Å
495	M	97.6	Very high	97	Very high	7 Å²	7	28.9 Å²	28.9	3%	0.034	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	97	166.4	-71.9	-68.1	-66.1	0	0	108.3	G493 G506 W507 N509 A514 Y535 L538	G493-M495 PolarHBondContact O-N 3.46Å; M495-G506 VanDerWaalsContact O-CA 3.27Å; M495-G506 WeakPolarHBondContact O-CA 3.34Å; M495-G506 PolarHBondContact O-N 3.41Å; M495-W507 HydrophobicContact CB-CD2 3.94Å; M495-W507 HydrophobicContact CB-CE3 4.48Å; M495-W507 HydrophobicContact CB-CG 4.24Å; M495-W507 HydrophobicContact CB-CZ2 4.27Å; M495-W507 WeakPolarHBondContact CB-O 3.41Å; M495-W507 HydrophobicContact CE-CZ2 4.14Å; M495-W507 HydrophobicContact CG-CD2 3.97Å; M495-W507 HydrophobicContact CG-CE3 4.09Å; M495-W507 HydrophobicContact CG-CH2 3.86Å; M495-W507 HydrophobicContact CG-CZ2 3.73Å; M495-W507 HydrophobicContact CG-CZ3 4.05Å; M495-W507 PolarHBondContact N-O 2.83Å; M495-W507 PolarHBondContact O-N 2.87Å; M495-N509 HydrophobicContact CG-CB 4.04Å; M495-A514 HydrophobicContact SD-CB 3.79Å; M495-Y535 HydrophobicContact CE-CD2 3.45Å; M495-Y535 VanDerWaalsContact CE-CD2 3.45Å; M495-Y535 HydrophobicContact CE-CE2 3.57Å; M495-Y535 HydrophobicContact CE-CG 4.24Å; M495-Y535 HydrophobicContact SD-CD2 3.73Å; M495-Y535 HydrophobicContact SD-CE2 4.13Å; M495-L538 HydrophobicContact CE-CB 3.62Å; M495-L538 HydrophobicContact CE-CD1 4.15Å; M495-L538 HydrophobicContact SD-CB 4.31Å; M495-L538 HydrophobicContact SD-CD1 3.69Å
496	F	97.9	Very high	96.9	Very high	1 Å²	1	28.8 Å²	28.8	0%	0.004	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	147.2	-177.2	-65.2	-88	0	0	0	113	R478 H486 L489 T490 C494 E503 R504 P505 Y535	R478-F496 PolarHBondContact NH2-O 3.39Å; H486-F496 AromaticContact CD2-CE1 3.87Å; H486-F496 AromaticContact CD2-CZ 3.69Å; H486-F496 AromaticContact NE2-CE2 3.93Å; L489-F496 HydrophobicContact CB-CZ 4.12Å; T490-F496 WeakPolarHBondContact OG1-CE2 3.43Å; C494-F496 HydrophobicContact CB-CD2 4.19Å; C494-F496 HydrophobicContact CB-CE1 4.39Å; C494-F496 HydrophobicContact CB-CE2 3.7Å; C494-F496 HydrophobicContact CB-CZ 3.83Å; C494-F496 VanDerWaalsContact SG-CD1 3.53Å; C494-F496 WeakPolarHBondContact SG-CE1 3.33Å; C494-F496 VanDerWaalsContact SG-CZ 3.5Å; F496-E503 HydrophobicContact CB-CB 4.13Å; F496-E503 WeakPolarHBondContact CB-OE2 3.3Å; F496-E503 HydrophobicContact CD1-CB 3.71Å; F496-E503 WeakPolarHBondContact CD1-O 3.31Å; F496-E503 HydrophobicContact CE1-CB 4.29Å; F496-E503 HydrophobicContact CG-CB 4Å; F496-R504 CarbonylContact C-O 3.33Å; F496-R504 VanDerWaalsContact CA-O 3.31Å; F496-R504 WeakPolarHBondContact CA-O 3.18Å; F496-P505 HydrophobicContact CE1-CG 4.26Å; F496-Y535 PolarHBondContact O-OH 2.87Å
497	Q	97	Very high	96.9	Very high	13 Å²	13	28.5 Å²	28.5	6%	0.061	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	148.7	164.7	-65	-171.1	-47.2	0	0	109.6	E473 R504	E473-Q497 HydrophobicContact CG-CB 4.41Å; E473-Q497 HydrophobicContact CG-CG 4.08Å; E473-Q497 WeakPolarHBondContact OE1-CB 3.33Å; E473-Q497 VanDerWaalsContact OE1-CD 3.26Å; E473-Q497 WeakPolarHBondContact OE1-CG 3.49Å; E473-Q497 PolarHBondContact OE1-NE2 2.96Å; E473-Q497 VanDerWaalsContact OE2-CA 3.27Å; E473-Q497 WeakPolarHBondContact OE2-CA 3.4Å; E473-Q497 WeakPolarHBondContact OE2-CB 3.24Å; Q497-R504 HydrophobicContact CB-CG 4.05Å; Q497-R504 PolarHBondContact N-O 2.89Å; Q497-R504 PolarHBondContact O-N 3.39Å
498	E	95.8	Very high	96.9	Very high	19 Å²	19	22.4 Å²	22.4	9%	0.089	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	122	-179.8	-172.3	-80.1	109.8	0	0	111.2	E473 P474 H500 G501 W502	E473-E498 PolarHBondContact OE2-N 2.92Å; P474-E498 HydrophobicContact CG-CB 3.7Å; P474-E498 HydrophobicContact CG-CG 4.21Å; E498-H500 PolarHBondContact OE1-N 2.73Å; E498-H500 VanDerWaalsContact OE1-N 3.12Å; E498-G501 WeakPolarHBondContact OE1-CA 3.31Å; E498-G501 PolarHBondContact OE1-N 3.12Å; E498-W502 CarbonylContact C-O 3.55Å; E498-W502 WeakPolarHBondContact CA-O 3.35Å
499	R	93.9	Very high	96.8	Very high	84 Å²	84	22.4 Å²	22.4	32%	0.317	10%	0.101	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	126.2	169.7	-58.6	-67.9	178.6	-78.2	0.4	110.7	E473 G501 W502 Y572	E473-R499 IonicContact OE1-CZ 2.84Å; E473-R499 IonicContact OE1-NH1 2.68Å; E473-R499 PolarHBondContact OE1-NH1 2.69Å; E473-R499 IonicContact OE1-NH2 3.23Å; E473-R499 PolarHBondContact OE1-NH2 3.44Å; E473-R499 IonicContact OE2-CZ 3.53Å; E473-R499 IonicContact OE2-NH1 3.53Å; E473-R499 PolarHBondContact OE2-NH1 2.66Å; R499-G501 PolarHBondContact O-N 3.26Å; R499-W502 PolarHBondContact N-O 2.97Å; R499-W502 VanDerWaalsContact O-CB 3.32Å; R499-W502 WeakPolarHBondContact O-CB 3.23Å; R499-W502 PolarHBondContact O-N 2.96Å; R499-Y572 HydrophobicContact CB-CD2 4.29Å; R499-Y572 HydrophobicContact CB-CE2 4.01Å
500	H	91.4	Very high	96.6	Very high	23 Å²	23	29.1 Å²	29.1	11%	0.106	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	33.9	-177.6	-68.4	-180	0	0	0	113.9	R441 H443 R481 E498 W502 G647 G648	R441-H500 PolarHBondContact O-CD2 3.36Å; R441-H500 PolarHBondContact O-NE2 2.7Å; H443-H500 HydrophobicContact CB-CB 4.28Å; R481-H500 WeakPolarHBondContact CD-O 3.48Å; R481-H500 PolarHBondContact NH1-O 2.97Å; E498-H500 PolarHBondContact OE1-N 2.73Å; E498-H500 VanDerWaalsContact OE1-N 3.12Å; H500-W502 VanDerWaalsContact C-N 3.25Å; H500-W502 PolarHBondContact O-N 3.19Å; H500-G647 PolarHBondContact ND1-O 3.24Å; H500-G648 PolarHBondContact CE1-O 3.46Å; H500-G648 PolarHBondContact NE2-O 3.27Å
501	G	93.6	Very high	96.4	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.6	-12.3	-175.1	0	0	0	0	0	114.3	R481 E498 R499	R481-G501 PolarHBondContact N-O 3.36Å; E498-G501 WeakPolarHBondContact OE1-CA 3.31Å; E498-G501 PolarHBondContact OE1-N 3.12Å; R499-G501 PolarHBondContact O-N 3.26Å
502	W	96.3	Very high	96.2	Very high	12 Å²	12	29.2 Å²	29.2	5%	0.045	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	133.6	-179.6	-67.5	102.7	0	0	0	112.6	R481 D483 E498 R499 H500 R504 E675	R481-W502 HydrophobicContact CB-CD2 3.72Å; R481-W502 HydrophobicContact CB-CE3 3.78Å; R481-W502 HydrophobicContact CB-CG 4.09Å; R481-W502 HydrophobicContact CB-CZ3 4.24Å; R481-W502 VanDerWaalsContact NH1-NE1 3.15Å; R481-W502 WeakPolarHBondContact O-CA 3.49Å; D483-W502 HydrophobicContact CB-CE3 4.27Å; D483-W502 HydrophobicContact CB-CZ3 3.88Å; E498-W502 CarbonylContact C-O 3.55Å; E498-W502 WeakPolarHBondContact CA-O 3.35Å; R499-W502 PolarHBondContact N-O 2.97Å; R499-W502 VanDerWaalsContact O-CB 3.32Å; R499-W502 WeakPolarHBondContact O-CB 3.23Å; R499-W502 PolarHBondContact O-N 2.96Å; H500-W502 VanDerWaalsContact C-N 3.25Å; H500-W502 PolarHBondContact O-N 3.19Å; W502-R504 PolarHBondContact O-N 2.91Å; W502-E675 HydrophobicContact CH2-CG 3.91Å; W502-E675 HydrophobicContact CZ2-CG 3.88Å
503	E	97.6	Very high	96.2	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	101.7	162.2	-61.9	-63.2	160.6	0	0	110	R478 N479 R481 K482 F496	R478-E503 WeakPolarHBondContact CA-OE1 3.44Å; R478-E503 WeakPolarHBondContact CB-OE1 3.5Å; R478-E503 IonicContact CZ-OE1 2.7Å; R478-E503 IonicContact CZ-OE2 2.68Å; R478-E503 IonicContact NE-OE1 3.6Å; R478-E503 PolarHBondContact NE-OE1 3.27Å; R478-E503 IonicContact NE-OE2 2.73Å; R478-E503 PolarHBondContact NE-OE2 2.84Å; R478-E503 VanDerWaalsContact NE-OE2 3.16Å; R478-E503 IonicContact NH2-OE1 2.98Å; R478-E503 IonicContact NH2-OE2 2.74Å; R478-E503 PolarHBondContact NH2-OE2 3.28Å; N479-E503 PolarHBondContact N-OE1 3.31Å; R481-E503 PolarHBondContact O-N 3.24Å; K482-E503 HydrophobicContact CG-CG 4.49Å; F496-E503 HydrophobicContact CB-CB 4.13Å; F496-E503 WeakPolarHBondContact CB-OE2 3.3Å; F496-E503 HydrophobicContact CD1-CB 3.71Å; F496-E503 WeakPolarHBondContact CD1-O 3.31Å; F496-E503 HydrophobicContact CE1-CB 4.29Å; F496-E503 HydrophobicContact CG-CB 4Å
504	R	96.6	Very high	96.2	Very high	18 Å²	18	28 Å²	28	7%	0.068	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	144.6	174.5	74.2	177	-166.2	160.9	7.6	111.2	F496 Q497 W502 G506 Y572 Y762	F496-R504 CarbonylContact C-O 3.33Å; F496-R504 VanDerWaalsContact CA-O 3.31Å; F496-R504 WeakPolarHBondContact CA-O 3.18Å; Q497-R504 HydrophobicContact CB-CG 4.05Å; Q497-R504 PolarHBondContact N-O 2.89Å; Q497-R504 PolarHBondContact O-N 3.39Å; W502-R504 PolarHBondContact O-N 2.91Å; R504-G506 PolarHBondContact O-N 2.81Å; R504-Y572 HydrophobicContact CB-CG 4.43Å; R504-Y572 PolarHBondContact NH1-OH 3.03Å; R504-Y572 VanDerWaalsContact NH1-OH 3.1Å; R504-Y762 HydrophobicContact CB-CD2 4.13Å; R504-Y762 HydrophobicContact CB-CE2 4.11Å; R504-Y762 HydrophobicContact CG-CD2 3.97Å; R504-Y762 HydrophobicContact CG-CE2 4.36Å
505	P	97.9	Very high	96	Very high	2 Å²	2	31 Å²	31	1%	0.013	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	122.7	179.9	-27.9	38.9	0	0	0	114	L489 C494 F496 F508 N569 G761 Y762	L489-P505 HydrophobicContact CD1-CG 3.83Å; C494-P505 VanDerWaalsContact SG-CA 3.52Å; C494-P505 WeakPolarHBondContact SG-CB 3.49Å; F496-P505 HydrophobicContact CE1-CG 4.26Å; P505-F508 HydrophobicContact CB-CE2 4.02Å; P505-F508 HydrophobicContact CB-CZ 3.99Å; P505-F508 HydrophobicContact CG-CZ 4.42Å; P505-N569 HydrophobicContact CG-CB 3.99Å; P505-G761 CarbonylContact O-C 3.56Å; P505-G761 WeakPolarHBondContact O-CA 3.35Å; P505-Y762 WeakPolarHBondContact O-CD2 3.31Å; P505-Y762 PolarHBondContact O-N 2.86Å
506	G	97.1	Very high	96	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	-57.9	172.7	0	0	0	0	0	112.1	M495 R504 G761 Y762 R763	M495-G506 VanDerWaalsContact O-CA 3.27Å; M495-G506 WeakPolarHBondContact O-CA 3.34Å; M495-G506 PolarHBondContact O-N 3.41Å; R504-G506 PolarHBondContact O-N 2.81Å; G506-G761 CarbonylContact O-C 3.59Å; G506-G761 VanDerWaalsContact O-CA 3.31Å; G506-G761 WeakPolarHBondContact O-CA 3.32Å; G506-Y762 PolarHBondContact O-N 2.89Å; G506-R763 WeakPolarHBondContact O-CB 3.37Å; G506-R763 WeakPolarHBondContact O-CG 3.2Å; G506-R763 PolarHBondContact O-N 2.88Å
507	W	97.7	Very high	95.9	Very high	14 Å²	14	34.7 Å²	34.7	5%	0.053	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	171.1	176.7	55.3	-91.4	0	0	0	110	M495 N509 E542 H550 V553 I554 E557	M495-W507 HydrophobicContact CB-CD2 3.94Å; M495-W507 HydrophobicContact CB-CE3 4.48Å; M495-W507 HydrophobicContact CB-CG 4.24Å; M495-W507 HydrophobicContact CB-CZ2 4.27Å; M495-W507 WeakPolarHBondContact CB-O 3.41Å; M495-W507 HydrophobicContact CE-CZ2 4.14Å; M495-W507 HydrophobicContact CG-CD2 3.97Å; M495-W507 HydrophobicContact CG-CE3 4.09Å; M495-W507 HydrophobicContact CG-CH2 3.86Å; M495-W507 HydrophobicContact CG-CZ2 3.73Å; M495-W507 HydrophobicContact CG-CZ3 4.05Å; M495-W507 PolarHBondContact N-O 2.83Å; M495-W507 PolarHBondContact O-N 2.87Å; W507-N509 HydrophobicContact CE3-CB 4.42Å; W507-N509 HydrophobicContact CH2-CB 4.34Å; W507-N509 HydrophobicContact CZ3-CB 3.77Å; W507-E542 PolarHBondContact NE1-OE1 3.14Å; W507-H550 AromaticContact CD1-CD2 3.94Å; W507-H550 HydrophobicContact CD2-CB 4.19Å; W507-H550 AromaticContact CE2-CD2 3.94Å; W507-H550 AromaticContact CE2-CG 3.71Å; W507-H550 HydrophobicContact CE3-CB 4.12Å; W507-H550 HydrophobicContact CH2-CB 3.75Å; W507-H550 HydrophobicContact CZ2-CB 3.79Å; W507-H550 AromaticContact CZ2-CG 3.81Å; W507-H550 HydrophobicContact CZ3-CB 3.9Å; W507-H550 AromaticContact NE1-CD2 3.78Å; W507-H550 AromaticContact NE1-CG 3.91Å; W507-V553 HydrophobicContact CE3-CG1 4.27Å; W507-I554 HydrophobicContact CB-CG1 4.45Å; W507-E557 WeakPolarHBondContact CA-OE1 3.44Å
508	F	97.9	Very high	95.8	Very high	22 Å²	22	42.6 Å²	42.6	10%	0.096	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	113.8	-176.3	-73	-94.5	0	0	0	113.6	L489 Q492 C494 P505 K510 V553 E557 N759	L489-F508 HydrophobicContact CB-CE1 4.42Å; L489-F508 HydrophobicContact CD2-CE1 4.02Å; L489-F508 HydrophobicContact CD2-CZ 4.05Å; Q492-F508 HydrophobicContact CB-CD1 4.26Å; Q492-F508 HydrophobicContact CB-CE1 4.25Å; C494-F508 HydrophobicContact CB-CD1 4.11Å; C494-F508 HydrophobicContact CB-CE1 3.66Å; C494-F508 HydrophobicContact CB-CZ 4.17Å; P505-F508 HydrophobicContact CB-CE2 4.02Å; P505-F508 HydrophobicContact CB-CZ 3.99Å; P505-F508 HydrophobicContact CG-CZ 4.42Å; F508-K510 PolarHBondContact O-N 3.2Å; F508-V553 VanDerWaalsContact O-CG1 3.3Å; F508-V553 WeakPolarHBondContact O-CG1 3.34Å; F508-E557 PolarHBondContact N-OE1 3.01Å; F508-N759 HydrophobicContact CD1-CB 3.99Å; F508-N759 HydrophobicContact CD2-CB 3.94Å; F508-N759 HydrophobicContact CE1-CB 3.6Å; F508-N759 HydrophobicContact CE2-CB 3.56Å; F508-N759 HydrophobicContact CG-CB 4.16Å; F508-N759 HydrophobicContact CZ-CB 3.39Å
509	N	96.6	Very high	95.9	Very high	11 Å²	11	42.4 Å²	42.4	6%	0.059	21%	0.209	C	C	.	.			trans	-73.1	119.3	-179.5	-177.5	45.5	0	0	0	113	G493 M495 W507 D511 G512 L538	G493-N509 WeakPolarHBondContact O-CB 3.37Å; G493-N509 PolarHBondContact O-N 2.89Å; M495-N509 HydrophobicContact CG-CB 4.04Å; W507-N509 HydrophobicContact CE3-CB 4.42Å; W507-N509 HydrophobicContact CH2-CB 4.34Å; W507-N509 HydrophobicContact CZ3-CB 3.77Å; N509-D511 VanDerWaalsContact C-N 3.28Å; N509-D511 PolarHBondContact O-N 3.27Å; N509-G512 PolarHBondContact ND2-O 2.93Å; N509-G512 PolarHBondContact O-N 3.02Å; N509-L538 HydrophobicContact CB-CD1 4.41Å
510	K	93.9	Very high	96.1	Very high	143 Å²	143	38.9 Å²	38.9	62%	0.622	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-25.9	-179	-63.9	-179.3	179.3	177.5	0	113.1	F508 G512 V553	F508-K510 PolarHBondContact O-N 3.2Å; K510-G512 PolarHBondContact O-N 3.21Å; K510-G512 VanDerWaalsContact O-N 3.13Å; K510-V553 HydrophobicContact CD-CG2 4.38Å
511	D	94	Very high	96.4	Very high	128 Å²	128	39 Å²	39	68%	0.684	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.6	21	176.4	-52.5	-33.9	0	0	0	112.9	N509 K534	N509-D511 VanDerWaalsContact C-N 3.28Å; N509-D511 PolarHBondContact O-N 3.27Å; D511-K534 PolarHBondContact O-NZ 2.93Å
512	G	94.9	Very high	96.4	Very high	23 Å²	23	40.1 Å²	40.1	24%	0.237	20%	0.201	C	C	.	.			trans	74.9	-174	179.2	0	0	0	0	0	115.1	N509 K510 K534	N509-G512 PolarHBondContact ND2-O 2.93Å; N509-G512 PolarHBondContact O-N 3.02Å; K510-G512 PolarHBondContact O-N 3.21Å; K510-G512 VanDerWaalsContact O-N 3.13Å; G512-K534 PolarHBondContact O-NZ 2.94Å
513	P	97.2	Very high	96.4	Very high	63 Å²	63	41.4 Å²	41.4	41%	0.409	22%	0.217	S	C	.	.			trans	-50.7	145.1	-168.2	-29.4	34.8	0	0	0	115.5	T490 K534	T490-P513 WeakPolarHBondContact O-CB 3.39Å; T490-P513 WeakPolarHBondContact O-CG 3.24Å; P513-K534 WeakPolarHBondContact O-CD 3.32Å; P513-K534 PolarHBondContact O-NZ 3.2Å
514	A	96.2	Very high	96.3	Very high	3 Å²	3	42 Å²	42	3%	0.025	22%	0.223	C	C	.	.			trans	-148.8	64.9	172.7	0	0	0	0	0	110.2	M495 K534 Y535 L538	M495-A514 HydrophobicContact SD-CB 3.79Å; A514-K534 HydrophobicContact CB-CB 4.24Å; A514-K534 HydrophobicContact CB-CD 3.88Å; A514-K534 HydrophobicContact CB-CG 3.85Å; A514-Y535 WeakPolarHBondContact O-CB 3.38Å; A514-Y535 VanDerWaalsContact O-CD2 3.3Å; A514-Y535 WeakPolarHBondContact O-CD2 3.4Å; A514-L538 HydrophobicContact CB-CD1 3.84Å
515	P	95.9	Very high	96.2	Very high	64 Å²	64	45 Å²	45	42%	0.416	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-67.1	149.5	-177.5	27.3	-34.7	0	0	0	112.5	T490	T490-P515 HydrophobicContact CG2-CB 3.93Å; T490-P515 HydrophobicContact CG2-CG 4.33Å
516	P	95.6	Very high	96	Very high	11 Å²	11	53.2 Å²	53.2	7%	0.071	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-64	137.1	170.5	26.4	-32.8	0	0	0	111	R478 Y533 Y535	R478-P516 HydrophobicContact CB-CB 3.81Å; R478-P516 HydrophobicContact CB-CG 4.03Å; R478-P516 HydrophobicContact CG-CB 3.92Å; R478-P516 HydrophobicContact CG-CG 4.48Å; P516-Y533 WeakPolarHBondContact CA-OH 3.46Å; P516-Y535 HydrophobicContact CB-CD1 4.5Å
517	K	95.9	Very high	96	Very high	75 Å²	75	56.2 Å²	56.2	33%	0.326	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-87.6	169.6	175.9	-69.4	-175.1	-173.8	-176.5	0	110.6	N530 E531 N532 Y533	K517-N530 HydrophobicContact CD-CB 4.12Å; K517-N530 VanDerWaalsContact CD-OD1 3.24Å; K517-N530 WeakPolarHBondContact CD-OD1 3.48Å; K517-E531 PolarHBondContact NZ-O 3.35Å; K517-N532 PolarHBondContact NZ-O 2.99Å; K517-Y533 HydrophobicContact CB-CD2 4.15Å; K517-Y533 HydrophobicContact CB-CE1 4.36Å; K517-Y533 HydrophobicContact CB-CE2 3.71Å; K517-Y533 HydrophobicContact CD-CD2 3.68Å; K517-Y533 HydrophobicContact CD-CE2 4.12Å; K517-Y533 HydrophobicContact CD-CG 4Å; K517-Y533 HydrophobicContact CG-CD2 3.67Å; K517-Y533 HydrophobicContact CG-CE2 3.59Å; K517-Y533 HydrophobicContact CG-CG 4.38Å; K517-Y533 VanDerWaalsContact N-CE2 3.31Å; K517-Y533 PolarHBondContact N-OH 3.21Å
518	K	95.9	Very high	95.9	Very high	180 Å²	180	64.5 Å²	64.5	78%	0.783	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-59.5	143.7	166.7	-68.2	-174.3	178.1	-176.2	0	109.8	N530	K518-N530 PolarHBondContact O-ND2 3.25Å
519	Y	97.8	Very high	95.8	Very high	15 Å²	15	68.6 Å²	68.6	6%	0.059	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-63.5	136.5	177.8	-169.9	-132.5	0	0	0	110.8	E455 H458 E459 L475 A476 Y521 Y522	E455-Y519 HydrophobicContact CB-CD1 3.99Å; E455-Y519 HydrophobicContact CB-CE1 4.46Å; E455-Y519 HydrophobicContact CG-CD1 3.99Å; H458-Y519 HydrophobicContact CB-CE1 4.39Å; H458-Y519 AromaticContact ND1-CE1 3.59Å; H458-Y519 AromaticContact ND1-CZ 3.65Å; H458-Y519 PolarHBondContact ND1-OH 3.33Å; E459-Y519 WeakPolarHBondContact CA-OH 3.49Å; E459-Y519 VanDerWaalsContact CB-OH 3.31Å; E459-Y519 WeakPolarHBondContact CB-OH 3.41Å; E459-Y519 PolarHBondContact N-OH 2.58Å; L475-Y519 HydrophobicContact CB-CD2 4.34Å; L475-Y519 HydrophobicContact CB-CE2 4.47Å; A476-Y519 HydrophobicContact CB-CD1 3.93Å; A476-Y519 HydrophobicContact CB-CD2 3.99Å; A476-Y519 HydrophobicContact CB-CE1 3.91Å; A476-Y519 HydrophobicContact CB-CE2 4.02Å; A476-Y519 HydrophobicContact CB-CG 3.93Å; Y519-Y521 HydrophobicContact CD1-CD1 4.09Å; Y519-Y521 AromaticContact CD1-CD2 3.67Å; Y519-Y521 HydrophobicContact CD1-CD2 3.67Å; Y519-Y521 HydrophobicContact CD1-CE1 4.17Å; Y519-Y521 AromaticContact CD1-CE2 3.76Å; Y519-Y521 HydrophobicContact CD1-CE2 3.76Å; Y519-Y521 AromaticContact CD1-CG 3.87Å; Y519-Y521 HydrophobicContact CD1-CG 3.87Å; Y519-Y521 AromaticContact CE1-CD1 3.71Å; Y519-Y521 HydrophobicContact CE1-CD1 3.71Å; Y519-Y521 HydrophobicContact CE1-CD2 4.09Å; Y519-Y521 HydrophobicContact CE1-CE1 4Å; Y519-Y521 HydrophobicContact CE1-CE2 4.36Å; Y519-Y521 AromaticContact CE1-CG 3.77Å; Y519-Y521 HydrophobicContact CE1-CG 3.77Å; Y519-Y521 HydrophobicContact CG-CD2 4.47Å; Y519-Y522 HydrophobicContact CE2-CE1 4.33Å; Y519-Y522 HydrophobicContact CE2-CE2 4.45Å; Y519-Y522 WeakPolarHBondContact OH-CE2 3.47Å
520	D	97.3	Very high	95.8	Very high	9 Å²	9	70.3 Å²	70.3	5%	0.048	35%	0.351	C	S	.	.			trans	-109.7	5.1	-175.7	56.5	16.6	0	0	0	113.3	Y522 G523 I527 N530	D520-Y522 PolarHBondContact O-N 2.81Å; D520-Y522 WeakPolarHBondContact OD1-CA 3.42Å; D520-Y522 PolarHBondContact OD1-N 3.26Å; D520-G523 PolarHBondContact O-N 2.83Å; D520-I527 HydrophobicContact CB-CG2 4.31Å; D520-N530 WeakPolarHBondContact CB-ND2 3.44Å; D520-N530 VanDerWaalsContact CG-ND2 3.31Å; D520-N530 VanDerWaalsContact OD2-CB 3.24Å; D520-N530 WeakPolarHBondContact OD2-CB 3.45Å; D520-N530 PolarHBondContact OD2-N 2.91Å; D520-N530 PolarHBondContact OD2-ND2 3.44Å
521	Y	97.6	Very high	95.8	Very high	25 Å²	25	68.7 Å²	68.7	10%	0.098	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	49.1	33.1	-174.2	-62.8	-105.5	0	0	0	112.1	F334 E455 H458 Y519 G523 A524 Y525 I527	F334-Y521 HydrophobicContact CZ-CE1 4.32Å; E455-Y521 HydrophobicContact CG-CE2 4.2Å; E455-Y521 VanDerWaalsContact CG-OH 3.24Å; E455-Y521 WeakPolarHBondContact CG-OH 3.48Å; H458-Y521 HydrophobicContact CB-CD1 4.07Å; H458-Y521 HydrophobicContact CB-CE1 4Å; H458-Y521 AromaticContact CD2-CD1 3.88Å; H458-Y521 AromaticContact CE1-CD1 3.79Å; H458-Y521 AromaticContact CG-CD1 3.49Å; H458-Y521 VanDerWaalsContact CG-CD1 3.49Å; H458-Y521 AromaticContact CG-CE1 3.94Å; H458-Y521 AromaticContact ND1-CD1 3.43Å; H458-Y521 WeakPolarHBondContact ND1-CD1 3.17Å; Y519-Y521 HydrophobicContact CD1-CD1 4.09Å; Y519-Y521 AromaticContact CD1-CD2 3.67Å; Y519-Y521 HydrophobicContact CD1-CD2 3.67Å; Y519-Y521 HydrophobicContact CD1-CE1 4.17Å; Y519-Y521 AromaticContact CD1-CE2 3.76Å; Y519-Y521 HydrophobicContact CD1-CE2 3.76Å; Y519-Y521 AromaticContact CD1-CG 3.87Å; Y519-Y521 HydrophobicContact CD1-CG 3.87Å; Y519-Y521 AromaticContact CE1-CD1 3.71Å; Y519-Y521 HydrophobicContact CE1-CD1 3.71Å; Y519-Y521 HydrophobicContact CE1-CD2 4.09Å; Y519-Y521 HydrophobicContact CE1-CE1 4Å; Y519-Y521 HydrophobicContact CE1-CE2 4.36Å; Y519-Y521 AromaticContact CE1-CG 3.77Å; Y519-Y521 HydrophobicContact CE1-CG 3.77Å; Y519-Y521 HydrophobicContact CG-CD2 4.47Å; Y521-G523 PolarHBondContact O-N 2.91Å; Y521-A524 VanDerWaalsContact O-CB 3.28Å; Y521-A524 WeakPolarHBondContact O-CB 3.34Å; Y521-A524 PolarHBondContact O-N 2.8Å; Y521-Y525 AromaticContact CD1-CD2 3.75Å; Y521-Y525 HydrophobicContact CD1-CD2 3.75Å; Y521-Y525 AromaticContact CD1-CE2 3.63Å; Y521-Y525 HydrophobicContact CD1-CE2 3.63Å; Y521-Y525 HydrophobicContact CE1-CE2 4.44Å; Y521-Y525 AromaticContact CG-CD2 3.9Å; Y521-Y525 HydrophobicContact CG-CD2 3.9Å; Y521-Y525 HydrophobicContact CG-CE2 4.15Å; Y521-I527 HydrophobicContact CD2-CD1 3.35Å; Y521-I527 HydrophobicContact CE2-CD1 3.73Å; Y521-I527 HydrophobicContact CG-CD1 4.13Å
522	Y	95.4	Very high	95.8	Very high	25 Å²	25	70.1 Å²	70.1	10%	0.098	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	59.2	6.4	-175.8	-52.3	-55.5	0	0	0	116.9	E459 A462 K463 L475 Y519 D520 K529	E459-Y522 PolarHBondContact OE1-OH 3.35Å; A462-Y522 HydrophobicContact CB-CD2 4.14Å; A462-Y522 HydrophobicContact CB-CE2 3.85Å; K463-Y522 WeakPolarHBondContact CE-OH 3.32Å; L475-Y522 HydrophobicContact CD1-CE1 4.25Å; Y519-Y522 HydrophobicContact CE2-CE1 4.33Å; Y519-Y522 HydrophobicContact CE2-CE2 4.45Å; Y519-Y522 WeakPolarHBondContact OH-CE2 3.47Å; D520-Y522 PolarHBondContact O-N 2.81Å; D520-Y522 WeakPolarHBondContact OD1-CA 3.42Å; D520-Y522 PolarHBondContact OD1-N 3.26Å; Y522-K529 WeakPolarHBondContact O-CD 3.35Å; Y522-K529 WeakPolarHBondContact O-CE 3.1Å; Y522-K529 PolarHBondContact O-NZ 3Å
523	G	95.8	Very high	95.9	Very high	38 Å²	38	70 Å²	70	39%	0.392	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	115.2	-2.2	-173.4	0	0	0	0	0	114.7	D520 Y521 I527	D520-G523 PolarHBondContact O-N 2.83Å; Y521-G523 PolarHBondContact O-N 2.91Å; G523-I527 CarbonylContact C-O 3.59Å; G523-I527 WeakPolarHBondContact CA-O 2.98Å
524	A	95	Very high	95.9	Very high	14 Å²	14	70.2 Å²	70.2	12%	0.116	34%	0.341	C	S	.	.			trans	-75.8	170.7	-178.9	0	0	0	0	0	113.2	N331 Y521 N526 I527	N331-A524 HydrophobicContact CB-CB 3.75Å; Y521-A524 VanDerWaalsContact O-CB 3.28Å; Y521-A524 WeakPolarHBondContact O-CB 3.34Å; Y521-A524 PolarHBondContact O-N 2.8Å; A524-N526 VanDerWaalsContact C-N 3.26Å; A524-N526 PolarHBondContact O-N 3.25Å; A524-N526 VanDerWaalsContact O-N 3.16Å; A524-I527 WeakPolarHBondContact O-CB 3.32Å; A524-I527 PolarHBondContact O-N 3.2Å
525	Y	95	Very high	95.9	Very high	81 Å²	81	70.2 Å²	70.2	32%	0.318	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	54	34.4	173.9	-40.6	-72.3	0	0	0	115.2	P332 F334 H458 Y521 I527	P332-Y525 VanDerWaalsContact CD-OH 3.31Å; P332-Y525 WeakPolarHBondContact CD-OH 3.5Å; P332-Y525 WeakPolarHBondContact O-CE1 3.3Å; P332-Y525 PolarHBondContact O-OH 3.3Å; F334-Y525 AromaticContact CD2-CE1 3.92Å; F334-Y525 HydrophobicContact CD2-CE1 3.92Å; F334-Y525 AromaticContact CD2-CZ 3.97Å; F334-Y525 HydrophobicContact CE2-CD1 4.47Å; F334-Y525 HydrophobicContact CE2-CD2 4.49Å; F334-Y525 AromaticContact CE2-CE1 3.78Å; F334-Y525 HydrophobicContact CE2-CE1 3.78Å; F334-Y525 AromaticContact CE2-CE2 3.82Å; F334-Y525 HydrophobicContact CE2-CE2 3.82Å; F334-Y525 AromaticContact CE2-CZ 3.4Å; F334-Y525 VanDerWaalsContact CE2-CZ 3.4Å; F334-Y525 WeakPolarHBondContact CE2-OH 3.32Å; H458-Y525 AromaticContact CD2-CE2 3.72Å; H458-Y525 AromaticContact CD2-CZ 3.96Å; H458-Y525 PolarHBondContact CD2-OH 2.99Å; H458-Y525 VanDerWaalsContact CD2-OH 3.26Å; H458-Y525 AromaticContact NE2-CE2 3.43Å; H458-Y525 WeakPolarHBondContact NE2-CE2 3.38Å; H458-Y525 AromaticContact NE2-CZ 3.82Å; H458-Y525 PolarHBondContact NE2-OH 3.22Å; Y521-Y525 AromaticContact CD1-CD2 3.75Å; Y521-Y525 HydrophobicContact CD1-CD2 3.75Å; Y521-Y525 AromaticContact CD1-CE2 3.63Å; Y521-Y525 HydrophobicContact CD1-CE2 3.63Å; Y521-Y525 HydrophobicContact CE1-CE2 4.44Å; Y521-Y525 AromaticContact CG-CD2 3.9Å; Y521-Y525 HydrophobicContact CG-CD2 3.9Å; Y521-Y525 HydrophobicContact CG-CE2 4.15Å; Y525-I527 PolarHBondContact O-N 3.44Å
526	N	93.4	Very high	96	Very high	174 Å²	174	70.6 Å²	70.6	93%	0.93	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.3	20.1	-175	-55.5	-56	0	0	0	114.7	A524	A524-N526 VanDerWaalsContact C-N 3.26Å; A524-N526 PolarHBondContact O-N 3.25Å; A524-N526 VanDerWaalsContact O-N 3.16Å
527	I	96.2	Very high	96	Very high	63 Å²	63	75.4 Å²	75.4	32%	0.323	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-91.4	124	175.7	-60.1	170.1	0	0	0	108.7	D520 Y521 G523 A524 Y525 K529	D520-I527 HydrophobicContact CB-CG2 4.31Å; Y521-I527 HydrophobicContact CD2-CD1 3.35Å; Y521-I527 HydrophobicContact CE2-CD1 3.73Å; Y521-I527 HydrophobicContact CG-CD1 4.13Å; G523-I527 CarbonylContact C-O 3.59Å; G523-I527 WeakPolarHBondContact CA-O 2.98Å; A524-I527 WeakPolarHBondContact O-CB 3.32Å; A524-I527 PolarHBondContact O-N 3.2Å; Y525-I527 PolarHBondContact O-N 3.44Å; I527-K529 PolarHBondContact O-N 2.93Å
528	R	95.9	Very high	96	Very high	187 Å²	187	72.6 Å²	72.6	71%	0.706	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-67.3	123.5	178.3	-176.7	176.7	177.3	177.6	-1.5	110.3	E531	R528-E531 IonicContact CZ-OE1 3.48Å; R528-E531 IonicContact CZ-OE2 2.62Å; R528-E531 IonicContact NE-OE1 3.44Å; R528-E531 PolarHBondContact NE-OE1 3.48Å; R528-E531 IonicContact NH2-OE1 2.69Å; R528-E531 PolarHBondContact NH2-OE1 2.87Å; R528-E531 IonicContact NH2-OE2 2.6Å; R528-E531 PolarHBondContact NH2-OE2 2.76Å
529	K	96.3	Very high	96.1	Very high	109 Å²	109	64.2 Å²	64.2	47%	0.474	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-52.3	137.8	172.5	-163.8	173.6	-164.4	135.4	0	111.7	Y522 I527 E531	Y522-K529 WeakPolarHBondContact O-CD 3.35Å; Y522-K529 WeakPolarHBondContact O-CE 3.1Å; Y522-K529 PolarHBondContact O-NZ 3Å; I527-K529 PolarHBondContact O-N 2.93Å; K529-E531 PolarHBondContact O-N 2.86Å; K529-E531 VanDerWaalsContact O-N 3.11Å
530	N	96.1	Very high	96	Very high	46 Å²	46	65.2 Å²	65.2	25%	0.246	32%	0.324	C	S	.	.			trans	-67	108.9	179.2	-77.4	-69.3	0	0	0	111.3	K517 K518 D520 Y533	K517-N530 HydrophobicContact CD-CB 4.12Å; K517-N530 VanDerWaalsContact CD-OD1 3.24Å; K517-N530 WeakPolarHBondContact CD-OD1 3.48Å; K518-N530 PolarHBondContact O-ND2 3.25Å; D520-N530 WeakPolarHBondContact CB-ND2 3.44Å; D520-N530 VanDerWaalsContact CG-ND2 3.31Å; D520-N530 VanDerWaalsContact OD2-CB 3.24Å; D520-N530 WeakPolarHBondContact OD2-CB 3.45Å; D520-N530 PolarHBondContact OD2-N 2.91Å; D520-N530 PolarHBondContact OD2-ND2 3.44Å; N530-Y533 HydrophobicContact CB-CD1 3.99Å; N530-Y533 HydrophobicContact CB-CG 4.26Å
531	E	94.8	Very high	95.9	Very high	110 Å²	110	69.2 Å²	69.2	51%	0.514	34%	0.341	S	S	.	.	S	Bend	trans	-75.4	153.9	167	-72.9	157	-140.4	0	0	111.2	K517 R528 K529 Y533	K517-E531 PolarHBondContact NZ-O 3.35Å; R528-E531 IonicContact CZ-OE1 3.48Å; R528-E531 IonicContact CZ-OE2 2.62Å; R528-E531 IonicContact NE-OE1 3.44Å; R528-E531 PolarHBondContact NE-OE1 3.48Å; R528-E531 IonicContact NH2-OE1 2.69Å; R528-E531 PolarHBondContact NH2-OE1 2.87Å; R528-E531 IonicContact NH2-OE2 2.6Å; R528-E531 PolarHBondContact NH2-OE2 2.76Å; K529-E531 PolarHBondContact O-N 2.86Å; K529-E531 VanDerWaalsContact O-N 3.11Å; E531-Y533 PolarHBondContact O-N 3.34Å
532	N	93.4	Very high	95.6	Very high	157 Å²	157	68.3 Å²	68.3	84%	0.84	34%	0.337	S	S	*	.	S	Bend	trans	46.6	54	175.8	-57.5	-32.9	0	0	0	112.7	K517 K534	K517-N532 PolarHBondContact NZ-O 2.99Å; N532-K534 PolarHBondContact O-N 3.02Å
533	Y	96.7	Very high	95.6	Very high	20 Å²	20	70.1 Å²	70.1	8%	0.078	34%	0.344	C	S	.	.			trans	-97.5	80.4	-174.5	-170.6	-167.6	0	0	0	111.8	L475 P516 K517 N530 E531 Y535 K536 E537	L475-Y533 HydrophobicContact CD2-CE1 4.16Å; P516-Y533 WeakPolarHBondContact CA-OH 3.46Å; K517-Y533 HydrophobicContact CB-CD2 4.15Å; K517-Y533 HydrophobicContact CB-CE1 4.36Å; K517-Y533 HydrophobicContact CB-CE2 3.71Å; K517-Y533 HydrophobicContact CD-CD2 3.68Å; K517-Y533 HydrophobicContact CD-CE2 4.12Å; K517-Y533 HydrophobicContact CD-CG 4Å; K517-Y533 HydrophobicContact CG-CD2 3.67Å; K517-Y533 HydrophobicContact CG-CE2 3.59Å; K517-Y533 HydrophobicContact CG-CG 4.38Å; K517-Y533 VanDerWaalsContact N-CE2 3.31Å; K517-Y533 PolarHBondContact N-OH 3.21Å; N530-Y533 HydrophobicContact CB-CD1 3.99Å; N530-Y533 HydrophobicContact CB-CG 4.26Å; E531-Y533 PolarHBondContact O-N 3.34Å; Y533-Y535 VanDerWaalsContact C-N 3.32Å; Y533-Y535 HydrophobicContact CE2-CD1 4.46Å; Y533-Y535 HydrophobicContact CE2-CG 4.46Å; Y533-Y535 PolarHBondContact O-N 3.11Å; Y533-K536 HydrophobicContact CD1-CB 3.47Å; Y533-K536 VanDerWaalsContact CD1-CB 3.47Å; Y533-K536 HydrophobicContact CD1-CD 4.1Å; Y533-K536 HydrophobicContact CD1-CG 4.4Å; Y533-K536 HydrophobicContact CD2-CB 4.48Å; Y533-K536 HydrophobicContact CE1-CB 3.81Å; Y533-K536 HydrophobicContact CG-CB 3.83Å; Y533-K536 PolarHBondContact O-N 3.08Å; Y533-E537 PolarHBondContact O-N 3.04Å
534	K	96.8	Very high	95.5	Very high	68 Å²	68	70 Å²	70	30%	0.296	34%	0.336	S	S	.	.	H	α-helix	trans	-51.3	-40.9	-175.6	-171.6	179.9	173.5	-167.6	0	114.6	D511 G512 P513 A514 N532 K536 E537 L538	D511-K534 PolarHBondContact O-NZ 2.93Å; G512-K534 PolarHBondContact O-NZ 2.94Å; P513-K534 WeakPolarHBondContact O-CD 3.32Å; P513-K534 PolarHBondContact O-NZ 3.2Å; A514-K534 HydrophobicContact CB-CB 4.24Å; A514-K534 HydrophobicContact CB-CD 3.88Å; A514-K534 HydrophobicContact CB-CG 3.85Å; N532-K534 PolarHBondContact O-N 3.02Å; K534-K536 PolarHBondContact O-N 2.89Å; K534-E537 PolarHBondContact O-N 2.89Å; K534-L538 HydrophobicContact CG-CD1 4.13Å; K534-L538 HydrophobicContact CG-CG 4.44Å; K534-L538 WeakPolarHBondContact O-CG 3.3Å; K534-L538 PolarHBondContact O-N 2.77Å
535	Y	97.3	Very high	95.5	Very high	4 Å²	4	69.8 Å²	69.8	2%	0.016	33%	0.332	C	S	.	.	H	α-helix	trans	-59.2	-48	176.5	-178.6	-93.9	0	0	0	111.7	L475 R478 M495 F496 A514 P516 Y533 E537 L538 L539	L475-Y535 HydrophobicContact CD2-CD1 4.11Å; L475-Y535 HydrophobicContact CD2-CE1 4.11Å; R478-Y535 VanDerWaalsContact NH1-CZ 3.33Å; R478-Y535 PolarHBondContact NH1-OH 3.2Å; R478-Y535 PolarHBondContact NH2-OH 2.98Å; M495-Y535 HydrophobicContact CE-CD2 3.45Å; M495-Y535 VanDerWaalsContact CE-CD2 3.45Å; M495-Y535 HydrophobicContact CE-CE2 3.57Å; M495-Y535 HydrophobicContact CE-CG 4.24Å; M495-Y535 HydrophobicContact SD-CD2 3.73Å; M495-Y535 HydrophobicContact SD-CE2 4.13Å; F496-Y535 PolarHBondContact O-OH 2.87Å; A514-Y535 WeakPolarHBondContact O-CB 3.38Å; A514-Y535 VanDerWaalsContact O-CD2 3.3Å; A514-Y535 WeakPolarHBondContact O-CD2 3.4Å; P516-Y535 HydrophobicContact CB-CD1 4.5Å; Y533-Y535 VanDerWaalsContact C-N 3.32Å; Y533-Y535 HydrophobicContact CE2-CD1 4.46Å; Y533-Y535 HydrophobicContact CE2-CG 4.46Å; Y533-Y535 PolarHBondContact O-N 3.11Å; Y535-E537 VanDerWaalsContact C-N 3.33Å; Y535-E537 PolarHBondContact O-N 3.32Å; Y535-L538 PolarHBondContact O-N 2.87Å; Y535-L539 HydrophobicContact CE1-CD2 4.05Å; Y535-L539 VanDerWaalsContact O-CB 3.28Å; Y535-L539 WeakPolarHBondContact O-CB 3.05Å; Y535-L539 PolarHBondContact O-N 3.06Å
536	K	96.9	Very high	95.5	Very high	72 Å²	72	70 Å²	70	31%	0.313	34%	0.339	S	S	.	.	H	α-helix	trans	-64.9	-35.4	177.3	-178.3	176.1	-175.6	169.4	0	112.3	L475 Y533 K534 G540	L475-K536 HydrophobicContact CD1-CD 3.76Å; L475-K536 HydrophobicContact CD1-CG 4.07Å; L475-K536 HydrophobicContact CD2-CB 4.45Å; Y533-K536 HydrophobicContact CD1-CB 3.47Å; Y533-K536 VanDerWaalsContact CD1-CB 3.47Å; Y533-K536 HydrophobicContact CD1-CD 4.1Å; Y533-K536 HydrophobicContact CD1-CG 4.4Å; Y533-K536 HydrophobicContact CD2-CB 4.48Å; Y533-K536 HydrophobicContact CE1-CB 3.81Å; Y533-K536 HydrophobicContact CG-CB 3.83Å; Y533-K536 PolarHBondContact O-N 3.08Å; K534-K536 PolarHBondContact O-N 2.89Å; K536-G540 PolarHBondContact O-N 2.85Å
537	E	96.8	Very high	95.5	Very high	112 Å²	112	64 Å²	64	52%	0.523	31%	0.305	S	S	.	.	H	α-helix	trans	-66	-42.9	175.2	-167.5	-149.9	128.3	0	0	112	Y533 K534 Y535 G540 K541	Y533-E537 PolarHBondContact O-N 3.04Å; K534-E537 PolarHBondContact O-N 2.89Å; Y535-E537 VanDerWaalsContact C-N 3.33Å; Y535-E537 PolarHBondContact O-N 3.32Å; E537-G540 PolarHBondContact O-N 2.97Å; E537-K541 WeakPolarHBondContact OE1-CE 3.42Å; E537-K541 IonicContact OE1-NZ 2.72Å; E537-K541 PolarHBondContact OE1-NZ 3.18Å
538	L	96.5	Very high	95.4	Very high	16 Å²	16	61.1 Å²	61.1	8%	0.084	29%	0.29	C	S	.	.	H	α-helix	trans	-68.8	-43.4	176	-68.9	173.6	0	0	0	111.6	M495 N509 A514 K534 Y535 G540 K541	M495-L538 HydrophobicContact CE-CB 3.62Å; M495-L538 HydrophobicContact CE-CD1 4.15Å; M495-L538 HydrophobicContact SD-CB 4.31Å; M495-L538 HydrophobicContact SD-CD1 3.69Å; N509-L538 HydrophobicContact CB-CD1 4.41Å; A514-L538 HydrophobicContact CB-CD1 3.84Å; K534-L538 HydrophobicContact CG-CD1 4.13Å; K534-L538 HydrophobicContact CG-CG 4.44Å; K534-L538 WeakPolarHBondContact O-CG 3.3Å; K534-L538 PolarHBondContact O-N 2.77Å; Y535-L538 PolarHBondContact O-N 2.87Å; L538-G540 VanDerWaalsContact C-N 3.28Å; L538-G540 PolarHBondContact O-N 2.87Å; L538-K541 HydrophobicContact CD2-CD 4.49Å; L538-K541 WeakPolarHBondContact O-CB 3.3Å; L538-K541 PolarHBondContact O-N 2.8Å
539	L	96.1	Very high	95.1	Very high	4 Å²	4	56.9 Å²	56.9	2%	0.021	29%	0.287	C	S	.	.	H	α-helix	trans	-59.1	-38.9	173.2	-175.8	66.1	0	0	0	111.4	E473 L475 Y535 K541 E542 Y543	E473-L539 HydrophobicContact CB-CD1 3.99Å; E473-L539 HydrophobicContact CB-CD2 4.32Å; E473-L539 HydrophobicContact CG-CD1 4.3Å; L475-L539 HydrophobicContact CD2-CD2 3.99Å; Y535-L539 HydrophobicContact CE1-CD2 4.05Å; Y535-L539 VanDerWaalsContact O-CB 3.28Å; Y535-L539 WeakPolarHBondContact O-CB 3.05Å; Y535-L539 PolarHBondContact O-N 3.06Å; L539-K541 PolarHBondContact O-N 2.94Å; L539-K541 VanDerWaalsContact O-N 3.1Å; L539-E542 HydrophobicContact CD1-CG 4.19Å; L539-E542 WeakPolarHBondContact O-CA 3.42Å; L539-E542 WeakPolarHBondContact O-CB 3.2Å; L539-E542 WeakPolarHBondContact O-CG 3.36Å; L539-E542 PolarHBondContact O-N 2.89Å; L539-Y543 HydrophobicContact CD1-CE1 4.27Å; L539-Y543 HydrophobicContact CG-CE1 3.84Å; L539-Y543 WeakPolarHBondContact O-CD1 3.33Å; L539-Y543 WeakPolarHBondContact O-CE1 3.42Å
540	G	96.3	Very high	94.9	Very high	35 Å²	35	52.2 Å²	52.2	36%	0.361	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-18.8	173.9	0	0	0	0	0	114.6	K536 E537 L538	K536-G540 PolarHBondContact O-N 2.85Å; E537-G540 PolarHBondContact O-N 2.97Å; L538-G540 VanDerWaalsContact C-N 3.28Å; L538-G540 PolarHBondContact O-N 2.87Å
541	K	95.1	Very high	94.8	Very high	94 Å²	94	50.4 Å²	50.4	41%	0.409	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-9.3	173.7	-59.6	166.5	-165.9	172.8	0	112.4	E537 L538 L539 Y543 P549	E537-K541 WeakPolarHBondContact OE1-CE 3.42Å; E537-K541 IonicContact OE1-NZ 2.72Å; E537-K541 PolarHBondContact OE1-NZ 3.18Å; L538-K541 HydrophobicContact CD2-CD 4.49Å; L538-K541 WeakPolarHBondContact O-CB 3.3Å; L538-K541 PolarHBondContact O-N 2.8Å; L539-K541 PolarHBondContact O-N 2.94Å; L539-K541 VanDerWaalsContact O-N 3.1Å; K541-Y543 VanDerWaalsContact C-N 3.34Å; K541-P549 HydrophobicContact CB-CG 4.37Å; K541-P549 WeakPolarHBondContact O-CD 3.33Å
542	E	92.8	Very high	94.8	Very high	6 Å²	6	50.3 Å²	50.3	3%	0.028	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-17.9	169.6	-53.4	-97.3	165.1	0	0	112.1	F471 W507 L539 T544 H550 R763	F471-E542 HydrophobicContact CB-CB 4.31Å; F471-E542 VanDerWaalsContact CB-OE2 3.29Å; F471-E542 WeakPolarHBondContact CB-OE2 3.35Å; W507-E542 PolarHBondContact NE1-OE1 3.14Å; L539-E542 HydrophobicContact CD1-CG 4.19Å; L539-E542 WeakPolarHBondContact O-CA 3.42Å; L539-E542 WeakPolarHBondContact O-CB 3.2Å; L539-E542 WeakPolarHBondContact O-CG 3.36Å; L539-E542 PolarHBondContact O-N 2.89Å; E542-T544 VanDerWaalsContact C-N 3.26Å; E542-T544 PolarHBondContact O-N 2.8Å; E542-H550 IonicContact OE1-CD2 2.77Å; E542-H550 IonicContact OE1-CE1 2.66Å; E542-H550 PolarHBondContact OE1-CE1 2.81Å; E542-H550 IonicContact OE1-CG 2.7Å; E542-H550 IonicContact OE1-ND1 3.98Å; E542-H550 PolarHBondContact OE1-ND1 3.46Å; E542-H550 VanDerWaalsContact OE1-ND1 3.09Å; E542-H550 IonicContact OE1-NE2 3.79Å; E542-H550 IonicContact OE2-CE1 2.67Å; E542-H550 PolarHBondContact OE2-CE1 2.77Å; E542-H550 IonicContact OE2-ND1 3.44Å; E542-H550 IonicContact OE2-NE2 3.58Å; E542-H550 PolarHBondContact OE2-NE2 2.96Å; E542-R763 IonicContact OE2-NH1 2.81Å; E542-R763 PolarHBondContact OE2-NH1 3.15Å; E542-R763 VanDerWaalsContact OE2-NH1 3.15Å
543	Y	94.6	Very high	94.9	Very high	63 Å²	63	43.8 Å²	43.8	25%	0.247	23%	0.226	C	C	.	.			trans	-75.8	71.3	-169.8	-66.3	-6.9	0	0	0	112.7	F469 D472 L539 K541	F469-Y543 HydrophobicContact CB-CD1 4.29Å; F469-Y543 VanDerWaalsContact CD1-C 3.49Å; F469-Y543 AromaticContact CD2-CD1 3.81Å; F469-Y543 HydrophobicContact CD2-CD1 3.81Å; F469-Y543 HydrophobicContact CD2-CD2 4.42Å; F469-Y543 AromaticContact CD2-CG 3.69Å; F469-Y543 HydrophobicContact CD2-CG 3.69Å; F469-Y543 VanDerWaalsContact CE1-C 3.41Å; F469-Y543 HydrophobicContact CE2-CD2 4.4Å; F469-Y543 AromaticContact CE2-CG 3.93Å; F469-Y543 HydrophobicContact CE2-CG 3.93Å; F469-Y543 HydrophobicContact CG-CD1 4.24Å; F469-Y543 HydrophobicContact CG-CG 4.37Å; D472-Y543 HydrophobicContact CB-CE1 3.84Å; D472-Y543 WeakPolarHBondContact OD1-CE1 3.48Å; D472-Y543 VanDerWaalsContact OD1-CZ 3.24Å; D472-Y543 PolarHBondContact OD1-OH 3.34Å; L539-Y543 HydrophobicContact CD1-CE1 4.27Å; L539-Y543 HydrophobicContact CG-CE1 3.84Å; L539-Y543 WeakPolarHBondContact O-CD1 3.33Å; L539-Y543 WeakPolarHBondContact O-CE1 3.42Å; K541-Y543 VanDerWaalsContact C-N 3.34Å
544	T	94.3	Very high	94.9	Very high	35 Å²	35	43 Å²	43	22%	0.215	22%	0.223	C	C	.	.	S	Bend	trans	-150.9	158.3	-178.9	-176.4	0	0	0	0	111.6	F469 E542 D546 P548	F469-T544 VanDerWaalsContact CD1-N 3.31Å; E542-T544 VanDerWaalsContact C-N 3.26Å; E542-T544 PolarHBondContact O-N 2.8Å; T544-D546 WeakPolarHBondContact CG2-O 3.29Å; T544-D546 WeakPolarHBondContact OG1-CB 3.27Å; T544-D546 PolarHBondContact OG1-N 3.24Å; T544-P548 HydrophobicContact CG2-CB 3.96Å
545	F	94.7	Very high	95	Very high	9 Å²	9	43.1 Å²	43.1	4%	0.039	22%	0.223	C	C	.	.	S	Bend	trans	-100.1	12.1	165.5	-61.3	-66.7	0	0	0	112.2	Q157 D160 E161 V467 F469 P470 F834 R889	Q157-F545 WeakPolarHBondContact O-CE2 3.14Å; D160-F545 HydrophobicContact CB-CD2 4.15Å; E161-F545 HydrophobicContact CB-CE2 3.77Å; E161-F545 HydrophobicContact CB-CZ 3.84Å; E161-F545 HydrophobicContact CG-CZ 4.31Å; V467-F545 HydrophobicContact CG1-CE2 3.69Å; V467-F545 HydrophobicContact CG1-CZ 3.6Å; F469-F545 HydrophobicContact CD1-CE1 4.31Å; F469-F545 HydrophobicContact CD1-CE2 4.19Å; F469-F545 HydrophobicContact CD1-CZ 4.06Å; F469-F545 HydrophobicContact CE1-CD2 4.31Å; F469-F545 AromaticContact CE1-CE2 3.94Å; F469-F545 HydrophobicContact CE1-CE2 3.94Å; F469-F545 HydrophobicContact CE1-CZ 4.24Å; P470-F545 HydrophobicContact CG-CD1 4.34Å; F545-F834 HydrophobicContact CB-CE2 4.42Å; F545-F834 WeakPolarHBondContact O-CE2 3.38Å; F545-R889 PolarHBondContact O-NH2 2.76Å
546	D	94.1	Very high	95	Very high	85 Å²	85	45.2 Å²	45.2	46%	0.455	24%	0.238	S	C	.	.	S	Bend	trans	-105.1	-173.6	171.2	-146.6	-35.9	0	0	0	110.5	T544 P548 P832	T544-D546 WeakPolarHBondContact CG2-O 3.29Å; T544-D546 WeakPolarHBondContact OG1-CB 3.27Å; T544-D546 PolarHBondContact OG1-N 3.24Å; D546-P548 WeakPolarHBondContact O-CD 3.35Å; D546-P832 WeakPolarHBondContact OD1-CG 3.2Å
547	F	93.9	Very high	95.1	Very high	48 Å²	48	42 Å²	42	21%	0.211	23%	0.225	C	C	.	.			trans	-70.9	120.4	169.2	-66.7	-68.2	0	0	0	110.9	H551 K830 P832 Y854	F547-H551 HydrophobicContact CB-CB 4.5Å; F547-H551 AromaticContact CD1-CD2 3.63Å; F547-H551 AromaticContact CD1-CE1 3.33Å; F547-H551 WeakPolarHBondContact CD1-CE1 3.41Å; F547-H551 AromaticContact CD1-CG 3.89Å; F547-H551 AromaticContact CD1-ND1 3.71Å; F547-H551 AromaticContact CD1-NE2 3.27Å; F547-H551 VanDerWaalsContact CD1-NE2 3.27Å; F547-H551 WeakPolarHBondContact CD1-NE2 3.32Å; F547-H551 AromaticContact CE1-CE1 3.51Å; F547-H551 AromaticContact CE1-NE2 3.47Å; F547-H551 WeakPolarHBondContact CE1-NE2 3.42Å; F547-K830 HydrophobicContact CD2-CG 4.3Å; F547-K830 HydrophobicContact CE2-CD 4.25Å; F547-K830 HydrophobicContact CE2-CG 3.48Å; F547-K830 VanDerWaalsContact CE2-CG 3.48Å; F547-K830 HydrophobicContact CZ-CG 3.84Å; F547-P832 HydrophobicContact CD1-CB 4.13Å; F547-P832 HydrophobicContact CD2-CB 4.01Å; F547-P832 HydrophobicContact CD2-CG 3.63Å; F547-P832 HydrophobicContact CE1-CB 3.94Å; F547-P832 HydrophobicContact CE2-CB 3.81Å; F547-P832 VanDerWaalsContact CE2-CD 3.46Å; F547-P832 HydrophobicContact CE2-CG 3.52Å; F547-P832 HydrophobicContact CG-CB 4.18Å; F547-P832 HydrophobicContact CG-CG 4.21Å; F547-P832 HydrophobicContact CZ-CB 3.8Å; F547-P832 HydrophobicContact CZ-CG 4.04Å; F547-Y854 HydrophobicContact CZ-CD2 4.14Å; F547-Y854 HydrophobicContact CZ-CG 4.48Å
548	P	93.1	Very high	95.1	Very high	4 Å²	4	36.7 Å²	36.7	3%	0.026	20%	0.2	C	C	.	.			trans	-74.6	158.9	178.3	31	-36.8	0	0	0	112.2	F471 T544 D546 H550 H551	F471-P548 HydrophobicContact CD2-CG 4.5Å; T544-P548 HydrophobicContact CG2-CB 3.96Å; D546-P548 WeakPolarHBondContact O-CD 3.35Å; P548-H550 VanDerWaalsContact C-N 3.31Å; P548-H550 VanDerWaalsContact CB-CE1 3.44Å; P548-H550 WeakPolarHBondContact CB-CE1 3.4Å; P548-H550 WeakPolarHBondContact CG-CE1 3.38Å; P548-H550 PolarHBondContact O-N 2.87Å; P548-H550 VanDerWaalsContact O-N 3.16Å; P548-H551 WeakPolarHBondContact O-CB 3.36Å; P548-H551 PolarHBondContact O-N 2.72Å
549	P	90.8	Very high	95.2	Very high	97 Å²	97	38 Å²	38	63%	0.63	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-29.5	-171.6	-26.6	36.6	0	0	0	115.7	K541 H551	K541-P549 HydrophobicContact CB-CG 4.37Å; K541-P549 WeakPolarHBondContact O-CD 3.33Å; P549-H551 PolarHBondContact O-N 3.02Å
550	H	92.2	Very high	95.3	Very high	11 Å²	11	38.9 Å²	38.9	5%	0.051	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-1.3	177.3	71.6	-82.3	0	0	0	112.8	W507 E542 P548 D552 V553 I554	W507-H550 AromaticContact CD1-CD2 3.94Å; W507-H550 HydrophobicContact CD2-CB 4.19Å; W507-H550 AromaticContact CE2-CD2 3.94Å; W507-H550 AromaticContact CE2-CG 3.71Å; W507-H550 HydrophobicContact CE3-CB 4.12Å; W507-H550 HydrophobicContact CH2-CB 3.75Å; W507-H550 HydrophobicContact CZ2-CB 3.79Å; W507-H550 AromaticContact CZ2-CG 3.81Å; W507-H550 HydrophobicContact CZ3-CB 3.9Å; W507-H550 AromaticContact NE1-CD2 3.78Å; W507-H550 AromaticContact NE1-CG 3.91Å; E542-H550 IonicContact OE1-CD2 2.77Å; E542-H550 IonicContact OE1-CE1 2.66Å; E542-H550 PolarHBondContact OE1-CE1 2.81Å; E542-H550 IonicContact OE1-CG 2.7Å; E542-H550 IonicContact OE1-ND1 3.98Å; E542-H550 PolarHBondContact OE1-ND1 3.46Å; E542-H550 VanDerWaalsContact OE1-ND1 3.09Å; E542-H550 IonicContact OE1-NE2 3.79Å; E542-H550 IonicContact OE2-CE1 2.67Å; E542-H550 PolarHBondContact OE2-CE1 2.77Å; E542-H550 IonicContact OE2-ND1 3.44Å; E542-H550 IonicContact OE2-NE2 3.58Å; E542-H550 PolarHBondContact OE2-NE2 2.96Å; P548-H550 VanDerWaalsContact C-N 3.31Å; P548-H550 VanDerWaalsContact CB-CE1 3.44Å; P548-H550 WeakPolarHBondContact CB-CE1 3.4Å; P548-H550 WeakPolarHBondContact CG-CE1 3.38Å; P548-H550 PolarHBondContact O-N 2.87Å; P548-H550 VanDerWaalsContact O-N 3.16Å; H550-D552 PolarHBondContact O-N 2.82Å; H550-D552 VanDerWaalsContact O-N 3.16Å; H550-V553 HydrophobicContact CB-CG2 4.43Å; H550-V553 WeakPolarHBondContact O-CA 3.43Å; H550-V553 WeakPolarHBondContact O-CB 3.45Å; H550-V553 PolarHBondContact O-N 2.7Å; H550-I554 VanDerWaalsContact CD2-CD1 3.42Å; H550-I554 WeakPolarHBondContact CD2-CD1 3.41Å; H550-I554 VanDerWaalsContact NE2-CD1 3.31Å; H550-I554 WeakPolarHBondContact NE2-CD1 3.22Å; H550-I554 PolarHBondContact O-N 2.92Å; H550-I554 VanDerWaalsContact O-N 3.16Å
551	H	94.1	Very high	95.4	Very high	9 Å²	9	37.2 Å²	37.2	4%	0.042	20%	0.196	C	C	.	.	H	α-helix	trans	-60	-26.3	179.6	-173.7	79.9	0	0	0	112.4	F547 P548 P549 I554 K555 F856	F547-H551 HydrophobicContact CB-CB 4.5Å; F547-H551 AromaticContact CD1-CD2 3.63Å; F547-H551 AromaticContact CD1-CE1 3.33Å; F547-H551 WeakPolarHBondContact CD1-CE1 3.41Å; F547-H551 AromaticContact CD1-CG 3.89Å; F547-H551 AromaticContact CD1-ND1 3.71Å; F547-H551 AromaticContact CD1-NE2 3.27Å; F547-H551 VanDerWaalsContact CD1-NE2 3.27Å; F547-H551 WeakPolarHBondContact CD1-NE2 3.32Å; F547-H551 AromaticContact CE1-CE1 3.51Å; F547-H551 AromaticContact CE1-NE2 3.47Å; F547-H551 WeakPolarHBondContact CE1-NE2 3.42Å; P548-H551 WeakPolarHBondContact O-CB 3.36Å; P548-H551 PolarHBondContact O-N 2.72Å; P549-H551 PolarHBondContact O-N 3.02Å; H551-I554 PolarHBondContact O-N 2.75Å; H551-K555 PolarHBondContact O-N 2.82Å; H551-F856 AromaticContact CD2-CE1 3.74Å; H551-F856 AromaticContact CD2-CZ 3.9Å; H551-F856 AromaticContact CE1-CE1 3.67Å; H551-F856 AromaticContact CE1-CZ 3.26Å; H551-F856 WeakPolarHBondContact CE1-CZ 3.44Å; H551-F856 AromaticContact ND1-CZ 3.68Å; H551-F856 AromaticContact NE2-CE1 3.28Å; H551-F856 VanDerWaalsContact NE2-CE1 3.28Å; H551-F856 WeakPolarHBondContact NE2-CE1 3.46Å; H551-F856 AromaticContact NE2-CZ 3.42Å; H551-F856 WeakPolarHBondContact NE2-CZ 3.21Å
552	D	94	Very high	95.6	Very high	107 Å²	107	32.8 Å²	32.8	57%	0.572	18%	0.177	S	C	*	.	H	α-helix	trans	-73.7	-22.7	170.4	-72.1	-31.5	0	0	0	113.8	H550 S556	H550-D552 PolarHBondContact O-N 2.82Å; H550-D552 VanDerWaalsContact O-N 3.16Å; D552-S556 PolarHBondContact O-N 3.03Å; D552-S556 VanDerWaalsContact O-N 3.11Å
553	V	96.2	Very high	95.8	Very high	21 Å²	21	37.3 Å²	37.3	13%	0.127	20%	0.198	C	C	.	.	H	α-helix	trans	-70	-47.9	168	-177.4	0	0	0	0	109.3	W507 F508 K510 H550 K555 S556 E557	W507-V553 HydrophobicContact CE3-CG1 4.27Å; F508-V553 VanDerWaalsContact O-CG1 3.3Å; F508-V553 WeakPolarHBondContact O-CG1 3.34Å; K510-V553 HydrophobicContact CD-CG2 4.38Å; H550-V553 HydrophobicContact CB-CG2 4.43Å; H550-V553 WeakPolarHBondContact O-CA 3.43Å; H550-V553 WeakPolarHBondContact O-CB 3.45Å; H550-V553 PolarHBondContact O-N 2.7Å; V553-K555 VanDerWaalsContact C-N 3.3Å; V553-K555 PolarHBondContact O-N 3.15Å; V553-S556 WeakPolarHBondContact O-CA 3.45Å; V553-S556 VanDerWaalsContact O-CB 3.23Å; V553-S556 WeakPolarHBondContact O-CB 3.47Å; V553-S556 PolarHBondContact O-N 3.23Å; V553-E557 PolarHBondContact O-N 3.41Å
554	I	97.3	Very high	95.9	Very high	3 Å²	3	36.6 Å²	36.6	2%	0.015	20%	0.198	C	C	.	.	H	α-helix	trans	-59.4	-42.7	175.7	-56.7	166.3	0	0	0	110.2	W507 H550 H551 S556 E557 C558 R763 A764 F856	W507-I554 HydrophobicContact CB-CG1 4.45Å; H550-I554 VanDerWaalsContact CD2-CD1 3.42Å; H550-I554 WeakPolarHBondContact CD2-CD1 3.41Å; H550-I554 VanDerWaalsContact NE2-CD1 3.31Å; H550-I554 WeakPolarHBondContact NE2-CD1 3.22Å; H550-I554 PolarHBondContact O-N 2.92Å; H550-I554 VanDerWaalsContact O-N 3.16Å; H551-I554 PolarHBondContact O-N 2.75Å; I554-S556 VanDerWaalsContact C-N 3.3Å; I554-S556 PolarHBondContact O-N 3.48Å; I554-E557 WeakPolarHBondContact O-CB 3.35Å; I554-E557 PolarHBondContact O-N 3.05Å; I554-E557 VanDerWaalsContact O-N 3.12Å; I554-C558 PolarHBondContact O-N 3.49Å; I554-C558 PolarHBondContact O-SG 2.93Å; I554-R763 HydrophobicContact CD1-CB 3.64Å; I554-R763 HydrophobicContact CD1-CG 4.3Å; I554-R763 HydrophobicContact CG1-CB 3.92Å; I554-R763 HydrophobicContact CG2-CB 4.31Å; I554-A764 HydrophobicContact CG2-CB 4.3Å; I554-F856 HydrophobicContact CB-CE2 4.27Å; I554-F856 HydrophobicContact CB-CZ 4.27Å; I554-F856 HydrophobicContact CG2-CE2 3.7Å; I554-F856 HydrophobicContact CG2-CZ 4.18Å
555	K	97.7	Very high	96.1	Very high	71 Å²	71	35 Å²	35	31%	0.309	19%	0.188	S	C	.	.	H	α-helix	trans	-53.1	-47.1	172.1	-176.1	168.2	179.4	172	0	112	H551 V553 C558 L559 F856	H551-K555 PolarHBondContact O-N 2.82Å; V553-K555 VanDerWaalsContact C-N 3.3Å; V553-K555 PolarHBondContact O-N 3.15Å; K555-C558 PolarHBondContact O-N 3.43Å; K555-L559 HydrophobicContact CD-CD1 4.45Å; K555-L559 HydrophobicContact CG-CD1 3.82Å; K555-L559 HydrophobicContact CG-CG 4.31Å; K555-L559 WeakPolarHBondContact O-CB 3.49Å; K555-L559 VanDerWaalsContact O-CG 3.29Å; K555-L559 WeakPolarHBondContact O-CG 3.26Å; K555-L559 PolarHBondContact O-N 3Å; K555-F856 HydrophobicContact CB-CD1 3.51Å; K555-F856 HydrophobicContact CB-CE1 3.46Å; K555-F856 VanDerWaalsContact CB-CE1 3.46Å; K555-F856 HydrophobicContact CB-CG 4.12Å; K555-F856 HydrophobicContact CB-CZ 4.04Å; K555-F856 HydrophobicContact CD-CD1 3.86Å; K555-F856 HydrophobicContact CD-CE1 4.27Å; K555-F856 HydrophobicContact CG-CB 4.33Å; K555-F856 HydrophobicContact CG-CD1 3.49Å; K555-F856 VanDerWaalsContact CG-CD1 3.49Å; K555-F856 HydrophobicContact CG-CE1 3.96Å; K555-F856 HydrophobicContact CG-CG 4.06Å
556	S	97.4	Very high	96.3	Very high	47 Å²	47	34.5 Å²	34.5	33%	0.329	19%	0.186	S	C	.	.	H	α-helix	trans	-61.8	-42.6	177.5	-162.4	0	0	0	0	111.8	D552 V553 I554 S560	D552-S556 PolarHBondContact O-N 3.03Å; D552-S556 VanDerWaalsContact O-N 3.11Å; V553-S556 WeakPolarHBondContact O-CA 3.45Å; V553-S556 VanDerWaalsContact O-CB 3.23Å; V553-S556 WeakPolarHBondContact O-CB 3.47Å; V553-S556 PolarHBondContact O-N 3.23Å; I554-S556 VanDerWaalsContact C-N 3.3Å; I554-S556 PolarHBondContact O-N 3.48Å; S556-S560 WeakPolarHBondContact O-CB 3.35Å; S556-S560 PolarHBondContact O-N 3.5Å; S556-S560 PolarHBondContact O-OG 2.92Å
557	E	98.4	Very high	96.5	Very high	5 Å²	5	30.6 Å²	30.6	2%	0.023	17%	0.165	C	C	.	.	H	α-helix	trans	-62.4	-49	176.4	-71.5	-179.6	-156.8	0	0	111.6	W507 F508 V553 I554 C561 I758 S760 G761 A764	W507-E557 WeakPolarHBondContact CA-OE1 3.44Å; F508-E557 PolarHBondContact N-OE1 3.01Å; V553-E557 PolarHBondContact O-N 3.41Å; I554-E557 WeakPolarHBondContact O-CB 3.35Å; I554-E557 PolarHBondContact O-N 3.05Å; I554-E557 VanDerWaalsContact O-N 3.12Å; E557-C561 PolarHBondContact O-N 2.81Å; E557-I758 HydrophobicContact CG-CD1 4.33Å; E557-S760 WeakPolarHBondContact CB-OG 3.24Å; E557-S760 WeakPolarHBondContact OE2-CA 3.29Å; E557-G761 PolarHBondContact OE2-N 2.99Å; E557-A764 HydrophobicContact CB-CB 3.63Å
558	C	98.6	Very high	96.8	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.007	16%	0.156	C	C	.	.	H	α-helix	trans	-62	-48.5	177.7	-64.9	0	0	0	0	112.8	I554 K555 S560 C561 R562 A764 L768 F856	I554-C558 PolarHBondContact O-N 3.49Å; I554-C558 PolarHBondContact O-SG 2.93Å; K555-C558 PolarHBondContact O-N 3.43Å; C558-S560 PolarHBondContact O-N 3.14Å; C558-C561 WeakPolarHBondContact O-CB 3.47Å; C558-C561 PolarHBondContact O-N 2.72Å; C558-R562 VanDerWaalsContact O-CG 3.29Å; C558-R562 WeakPolarHBondContact O-CG 3.34Å; C558-R562 PolarHBondContact O-N 3.18Å; C558-A764 VanDerWaalsContact SG-CA 3.55Å; C558-L768 HydrophobicContact CB-CD2 3.88Å; C558-L768 HydrophobicContact CB-CG 4.15Å; C558-F856 HydrophobicContact CB-CB 4.24Å; C558-F856 HydrophobicContact CB-CD2 3.8Å; C558-F856 HydrophobicContact CB-CG 4.37Å; C558-F856 VanDerWaalsContact SG-CD2 3.57Å
559	L	98.3	Very high	97	Very high	44 Å²	44	28.7 Å²	28.7	23%	0.23	16%	0.157	C	C	.	.	H	α-helix	trans	-67.5	-36.1	-177.7	-69.3	179.9	0	0	0	112	K555 C561 R562 H563 F857	K555-L559 HydrophobicContact CD-CD1 4.45Å; K555-L559 HydrophobicContact CG-CD1 3.82Å; K555-L559 HydrophobicContact CG-CG 4.31Å; K555-L559 WeakPolarHBondContact O-CB 3.49Å; K555-L559 VanDerWaalsContact O-CG 3.29Å; K555-L559 WeakPolarHBondContact O-CG 3.26Å; K555-L559 PolarHBondContact O-N 3Å; L559-C561 VanDerWaalsContact C-N 3.31Å; L559-C561 PolarHBondContact O-N 2.93Å; L559-R562 PolarHBondContact O-N 3.36Å; L559-R562 VanDerWaalsContact O-N 3.15Å; L559-H563 WeakPolarHBondContact O-CB 3.1Å; L559-H563 PolarHBondContact O-CD2 2.83Å; L559-H563 PolarHBondContact O-N 3.38Å; L559-F857 HydrophobicContact CD2-CD2 4.44Å
560	S	98.1	Very high	97.3	Very high	21 Å²	21	24.3 Å²	24.3	15%	0.147	13%	0.128	C	C	.	.	H	α-helix	trans	-63.6	-37.4	174	-52.5	0	0	0	0	111.6	S556 C558 D564 V565 I758	S556-S560 WeakPolarHBondContact O-CB 3.35Å; S556-S560 PolarHBondContact O-N 3.5Å; S556-S560 PolarHBondContact O-OG 2.92Å; C558-S560 PolarHBondContact O-N 3.14Å; S560-D564 CarbonylContact O-C 3.52Å; S560-D564 VanDerWaalsContact O-CA 3.28Å; S560-D564 WeakPolarHBondContact O-CA 3.25Å; S560-D564 WeakPolarHBondContact O-CB 3.3Å; S560-D564 PolarHBondContact O-N 2.75Å; S560-V565 PolarHBondContact O-N 2.96Å; S560-I758 VanDerWaalsContact CB-CD1 3.47Å; S560-I758 WeakPolarHBondContact OG-CD1 3.32Å
561	C	98.4	Very high	97.6	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-65.6	-40.7	171.8	-171.1	0	0	0	0	112.3	E557 C558 L559 A566 F568 G684 P685 L768	E557-C561 PolarHBondContact O-N 2.81Å; C558-C561 WeakPolarHBondContact O-CB 3.47Å; C558-C561 PolarHBondContact O-N 2.72Å; L559-C561 VanDerWaalsContact C-N 3.31Å; L559-C561 PolarHBondContact O-N 2.93Å; C561-A566 HydrophobicContact CB-CB 3.77Å; C561-F568 HydrophobicContact CB-CZ 4.33Å; C561-G684 WeakPolarHBondContact O-CA 3.12Å; C561-P685 WeakPolarHBondContact O-CD 3.39Å; C561-L768 HydrophobicContact CB-CD1 3.85Å
562	R	97.8	Very high	97.6	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.008	13%	0.128	C	C	.	.	H	α-helix	trans	-72.5	-26.4	-177.6	-70.9	-87.7	179.2	-99.6	-4.4	114.7	C558 L559 V727 E729 L768 E771 F857 F904 R910	C558-R562 VanDerWaalsContact O-CG 3.29Å; C558-R562 WeakPolarHBondContact O-CG 3.34Å; C558-R562 PolarHBondContact O-N 3.18Å; L559-R562 PolarHBondContact O-N 3.36Å; L559-R562 VanDerWaalsContact O-N 3.15Å; R562-V727 PolarHBondContact NH1-O 2.85Å; R562-V727 PolarHBondContact NH2-O 2.89Å; R562-E729 WeakPolarHBondContact CD-OE1 3.2Å; R562-E729 IonicContact CZ-OE1 2.87Å; R562-E729 IonicContact NE-OE1 2.69Å; R562-E729 IonicContact NH1-OE1 2.84Å; R562-E729 PolarHBondContact NH1-OE1 3.05Å; R562-L768 HydrophobicContact CG-CD2 3.77Å; R562-L768 PolarHBondContact NH2-O 3.46Å; R562-E771 IonicContact CZ-OE2 3.85Å; R562-E771 VanDerWaalsContact CZ-OE2 3.22Å; R562-E771 IonicContact NE-OE2 3.78Å; R562-E771 PolarHBondContact NE-OE2 3.45Å; R562-E771 IonicContact NH2-OE2 3.43Å; R562-E771 PolarHBondContact NH2-OE2 3.36Å; R562-F857 HydrophobicContact CB-CD2 3.61Å; R562-F857 HydrophobicContact CB-CE2 4.1Å; R562-F857 HydrophobicContact CB-CG 4.32Å; R562-F857 HydrophobicContact CG-CB 3.93Å; R562-F857 HydrophobicContact CG-CD2 3.84Å; R562-F857 HydrophobicContact CG-CG 4.04Å; R562-F904 VanDerWaalsContact CZ-CZ 3.43Å; R562-R910 PolarHBondContact O-NH1 2.89Å
563	H	97.4	Very high	97.7	Very high	101 Å²	101	21 Å²	21	47%	0.468	11%	0.108	S	C	.	.	H	α-helix	trans	-113.3	-28.8	-175.4	-64.6	-63.2	0	0	0	114.4	L559 P685 F857	L559-H563 WeakPolarHBondContact O-CB 3.1Å; L559-H563 PolarHBondContact O-CD2 2.83Å; L559-H563 PolarHBondContact O-N 3.38Å; H563-P685 WeakPolarHBondContact O-CG 3.33Å; H563-F857 AromaticContact CE1-CE2 3.71Å
564	D	97.6	Very high	97.7	Very high	48 Å²	48	20 Å²	20	26%	0.257	10%	0.102	S	C	.	.	S	Bend	trans	-129.8	-103.9	-170.5	-62.2	-61.5	0	0	0	111.4	S560 G684 P685 K686	S560-D564 CarbonylContact O-C 3.52Å; S560-D564 VanDerWaalsContact O-CA 3.28Å; S560-D564 WeakPolarHBondContact O-CA 3.25Å; S560-D564 WeakPolarHBondContact O-CB 3.3Å; S560-D564 PolarHBondContact O-N 2.75Å; D564-G684 CarbonylContact O-C 3.47Å; D564-P685 VanDerWaalsContact O-CD 3.23Å; D564-P685 WeakPolarHBondContact O-CD 3.21Å; D564-K686 HydrophobicContact CB-CD 4.22Å; D564-K686 WeakPolarHBondContact O-CB 3.47Å; D564-K686 PolarHBondContact O-N 3.24Å; D564-K686 VanDerWaalsContact OD1-CE 3.23Å; D564-K686 WeakPolarHBondContact OD1-CE 3.26Å; D564-K686 IonicContact OD1-NZ 3.85Å; D564-K686 PolarHBondContact OD1-NZ 3.36Å
565	V	98.5	Very high	97.7	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.102	C	C	.	.			trans	-162.1	136.7	178.5	53.4	0	0	0	0	110.3	S560 I682 Q683 K686 V690 H755 I757	S560-V565 PolarHBondContact O-N 2.96Å; V565-I682 HydrophobicContact CG2-CG2 3.62Å; V565-Q683 CarbonylContact C-O 3.52Å; V565-Q683 WeakPolarHBondContact CA-O 3.46Å; V565-K686 HydrophobicContact CB-CB 4.19Å; V565-K686 HydrophobicContact CG1-CB 4.16Å; V565-V690 HydrophobicContact CG1-CG2 4.12Å; V565-H755 HydrophobicContact CG1-CB 4.22Å; V565-I757 HydrophobicContact CG1-CB 3.91Å; V565-I757 HydrophobicContact CG1-CD1 4.27Å; V565-I757 HydrophobicContact CG1-CG1 3.96Å; V565-I757 HydrophobicContact CG2-CD1 4.03Å; V565-I757 HydrophobicContact CG2-CG1 4.2Å
566	A	98.6	Very high	97.7	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	149.6	175.1	0	0	0	0	0	111.1	C561 F568 I682 Q683 I758	C561-A566 HydrophobicContact CB-CB 3.77Å; A566-F568 HydrophobicContact CB-CE2 3.78Å; A566-F568 HydrophobicContact CB-CZ 4Å; A566-I682 WeakPolarHBondContact O-CA 3.37Å; A566-Q683 PolarHBondContact N-O 3.49Å; A566-Q683 PolarHBondContact O-N 2.89Å; A566-I758 WeakPolarHBondContact CA-O 3.45Å; A566-I758 HydrophobicContact CB-CG1 4.48Å
567	V	98.8	Very high	97.7	Very high	3 Å²	3	14.3 Å²	14.3	2%	0.018	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	124	173.9	-174.3	0	0	0	0	109.7	I680 S681 I682 Y745 V748 M749 I757 I758 N759 S760	V567-I680 HydrophobicContact CG1-CB 4.17Å; V567-I680 HydrophobicContact CG1-CG2 4.46Å; V567-S681 WeakPolarHBondContact CA-O 3.48Å; V567-I682 HydrophobicContact CG2-CG1 4.23Å; V567-Y745 HydrophobicContact CG1-CD2 4.47Å; V567-Y745 HydrophobicContact CG1-CE2 4.35Å; V567-V748 HydrophobicContact CG2-CG1 4.04Å; V567-M749 HydrophobicContact CB-SD 4.31Å; V567-M749 HydrophobicContact CG2-SD 3.78Å; V567-I757 HydrophobicContact CG2-CD1 3.52Å; V567-I757 HydrophobicContact CG2-CG1 3.76Å; V567-I758 PolarHBondContact N-O 3.13Å; V567-N759 CarbonylContact O-C 3.6Å; V567-N759 WeakPolarHBondContact O-CA 3.26Å; V567-S760 PolarHBondContact O-N 2.82Å
568	F	98.8	Very high	97.6	Very high	2 Å²	2	14.1 Å²	14.1	1%	0.009	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	128.3	176.5	-57.8	-90.1	0	0	0	109.8	C561 A566 M570 I680 S681 Q683 V727 S760 A764 I765 L768	C561-F568 HydrophobicContact CB-CZ 4.33Å; A566-F568 HydrophobicContact CB-CE2 3.78Å; A566-F568 HydrophobicContact CB-CZ 4Å; F568-M570 HydrophobicContact CB-CG 4.38Å; F568-I680 CarbonylContact O-C 3.56Å; F568-I680 VanDerWaalsContact O-CA 3.28Å; F568-I680 WeakPolarHBondContact O-CA 3.49Å; F568-S681 PolarHBondContact N-O 2.94Å; F568-S681 PolarHBondContact O-N 3.37Å; F568-Q683 HydrophobicContact CD2-CG 4.39Å; F568-Q683 HydrophobicContact CE2-CB 4.17Å; F568-Q683 HydrophobicContact CE2-CG 4.46Å; F568-V727 HydrophobicContact CE2-CG1 4.14Å; F568-V727 HydrophobicContact CZ-CG1 4.07Å; F568-S760 VanDerWaalsContact CD1-O 3.26Å; F568-S760 WeakPolarHBondContact CD1-O 3.5Å; F568-A764 HydrophobicContact CE1-CB 4.19Å; F568-I765 HydrophobicContact CB-CD1 4.08Å; F568-I765 HydrophobicContact CD1-CD1 3.63Å; F568-I765 HydrophobicContact CD1-CG1 3.33Å; F568-I765 HydrophobicContact CE1-CD1 4.33Å; F568-I765 HydrophobicContact CE1-CG1 3.52Å; F568-I765 HydrophobicContact CG-CD1 4.04Å; F568-I765 HydrophobicContact CG-CG1 4.07Å; F568-I765 HydrophobicContact CZ-CG1 4.41Å; F568-L768 HydrophobicContact CE1-CD1 4.44Å; F568-L768 HydrophobicContact CZ-CD1 3.81Å
569	N	98.6	Very high	97.5	Very high	10 Å²	10	14.4 Å²	14.4	5%	0.053	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	117.8	169.2	175.6	12	0	0	0	109.4	D483 L489 P505 S571 M679 Y762	D483-N569 VanDerWaalsContact CG-ND2 3.29Å; D483-N569 PolarHBondContact OD1-ND2 3.2Å; D483-N569 VanDerWaalsContact OD1-ND2 3.17Å; D483-N569 PolarHBondContact OD2-ND2 3.4Å; L489-N569 HydrophobicContact CD1-CB 3.8Å; L489-N569 WeakPolarHBondContact CD1-ND2 3.43Å; P505-N569 HydrophobicContact CG-CB 3.99Å; N569-S571 WeakPolarHBondContact OD1-CB 3.39Å; N569-S571 PolarHBondContact OD1-N 3Å; N569-S571 PolarHBondContact OD1-OG 3.48Å; N569-M679 PolarHBondContact OD1-O 3.04Å; N569-Y762 WeakPolarHBondContact O-CE2 3.31Å
570	M	96.9	Very high	97.2	Very high	5 Å²	5	13.7 Å²	13.7	3%	0.025	8%	0.076	C	C	.	.			trans	-115.9	17.5	-179.7	-59.7	-177.2	61.9	0	0	112	F568 Y572 F573 M679 S681 Y762	F568-M570 HydrophobicContact CB-CG 4.38Å; M570-Y572 PolarHBondContact O-N 2.87Å; M570-Y572 VanDerWaalsContact O-N 3.08Å; M570-F573 HydrophobicContact CB-CD2 4.2Å; M570-F573 HydrophobicContact CB-CE2 4.44Å; M570-F573 HydrophobicContact CE-CD2 4.23Å; M570-F573 HydrophobicContact CE-CE1 3.93Å; M570-F573 HydrophobicContact CE-CE2 3.53Å; M570-F573 HydrophobicContact CE-CZ 3.35Å; M570-F573 WeakPolarHBondContact O-CB 3.45Å; M570-F573 WeakPolarHBondContact O-CD2 3.48Å; M570-F573 PolarHBondContact O-N 2.84Å; M570-M679 CarbonylContact C-O 3.53Å; M570-M679 HydrophobicContact CB-CB 4.42Å; M570-M679 HydrophobicContact CB-CE 4.07Å; M570-M679 HydrophobicContact CB-CG 4.01Å; M570-M679 HydrophobicContact CB-SD 3.81Å; M570-M679 HydrophobicContact CE-CE 4.03Å; M570-M679 PolarHBondContact N-O 3.44Å; M570-M679 HydrophobicContact SD-CE 4.2Å; M570-S681 WeakPolarHBondContact SD-CB 3.21Å; M570-Y762 WeakPolarHBondContact CA-OH 3.3Å; M570-Y762 WeakPolarHBondContact CG-OH 3.45Å
571	S	97.5	Very high	97	Very high	2 Å²	2	18.2 Å²	18.2	1%	0.014	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-30.2	-172.9	-59.7	0	0	0	0	114.2	F485 N569 F573 K575 G678 M679	F485-S571 WeakPolarHBondContact CD2-OG 3.36Å; F485-S571 VanDerWaalsContact CE2-OG 3.27Å; F485-S571 WeakPolarHBondContact CE2-OG 3.46Å; N569-S571 WeakPolarHBondContact OD1-CB 3.39Å; N569-S571 PolarHBondContact OD1-N 3Å; N569-S571 PolarHBondContact OD1-OG 3.48Å; S571-F573 PolarHBondContact O-N 3.17Å; S571-F573 VanDerWaalsContact O-N 3.09Å; S571-K575 WeakPolarHBondContact O-CE 3.37Å; S571-K575 PolarHBondContact O-NZ 3.25Å; S571-G678 WeakPolarHBondContact OG-CA 3.3Å; S571-M679 PolarHBondContact N-O 3.46Å; S571-M679 PolarHBondContact OG-N 3.08Å; S571-M679 PolarHBondContact OG-O 2.94Å
572	Y	94.6	Very high	96.9	Very high	19 Å²	19	19.4 Å²	19.4	8%	0.075	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-10.5	178.5	97.5	-57.4	0	0	0	115.2	R499 R504 M570 G647 Y762	R499-Y572 HydrophobicContact CB-CD2 4.29Å; R499-Y572 HydrophobicContact CB-CE2 4.01Å; R504-Y572 HydrophobicContact CB-CG 4.43Å; R504-Y572 PolarHBondContact NH1-OH 3.03Å; R504-Y572 VanDerWaalsContact NH1-OH 3.1Å; M570-Y572 PolarHBondContact O-N 2.87Å; M570-Y572 VanDerWaalsContact O-N 3.08Å; Y572-G647 WeakPolarHBondContact O-CA 3.48Å; Y572-Y762 HydrophobicContact CD1-CE2 4.34Å; Y572-Y762 AromaticContact CE1-CE1 3.93Å; Y572-Y762 HydrophobicContact CE1-CE1 3.93Å; Y572-Y762 HydrophobicContact CE1-CE2 4.11Å; Y572-Y762 AromaticContact CE1-CZ 3.5Å; Y572-Y762 VanDerWaalsContact CE1-CZ 3.5Å; Y572-Y762 VanDerWaalsContact CE1-OH 3.25Å; Y572-Y762 WeakPolarHBondContact CE1-OH 3.17Å
573	F	96.3	Very high	96.8	Very high	35 Å²	35	19.3 Å²	19.3	15%	0.154	11%	0.111	C	C	.	.	S	Bend	trans	-56.3	144.6	174.9	-91.4	-127.2	0	0	0	112.5	M570 S571 K575 I645 M679	M570-F573 HydrophobicContact CB-CD2 4.2Å; M570-F573 HydrophobicContact CB-CE2 4.44Å; M570-F573 HydrophobicContact CE-CD2 4.23Å; M570-F573 HydrophobicContact CE-CE1 3.93Å; M570-F573 HydrophobicContact CE-CE2 3.53Å; M570-F573 HydrophobicContact CE-CZ 3.35Å; M570-F573 WeakPolarHBondContact O-CB 3.45Å; M570-F573 WeakPolarHBondContact O-CD2 3.48Å; M570-F573 PolarHBondContact O-N 2.84Å; S571-F573 PolarHBondContact O-N 3.17Å; S571-F573 VanDerWaalsContact O-N 3.09Å; F573-K575 WeakPolarHBondContact O-CG 3.06Å; F573-K575 PolarHBondContact O-NZ 3.34Å; F573-I645 CarbonylContact C-O 3.52Å; F573-I645 VanDerWaalsContact CA-O 3.31Å; F573-I645 WeakPolarHBondContact CA-O 3.26Å; F573-I645 VanDerWaalsContact CB-O 3.31Å; F573-I645 WeakPolarHBondContact CB-O 3.48Å; F573-I645 WeakPolarHBondContact CD1-O 3.41Å; F573-I645 VanDerWaalsContact CG-O 3.28Å; F573-I645 WeakPolarHBondContact CG-O 3.49Å; F573-M679 HydrophobicContact CB-SD 4.05Å; F573-M679 HydrophobicContact CD1-SD 4.4Å; F573-M679 HydrophobicContact CG-SD 4.19Å
574	G	96.9	Very high	96.7	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.01	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	135.5	167.8	0	0	0	0	0	111.1	A644 I645 S674	G574-A644 WeakPolarHBondContact O-CA 3.4Å; G574-I645 PolarHBondContact N-O 3.28Å; G574-I645 PolarHBondContact O-N 3.3Å; G574-S674 WeakPolarHBondContact CA-OG 3.26Å
575	K	97.4	Very high	96.8	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	80	-173.9	-55.5	-178.7	-156.7	-11	0	109.7	S571 F573 Y642 L643 H673 S674 M677	S571-K575 WeakPolarHBondContact O-CE 3.37Å; S571-K575 PolarHBondContact O-NZ 3.25Å; F573-K575 WeakPolarHBondContact O-CG 3.06Å; F573-K575 PolarHBondContact O-NZ 3.34Å; K575-Y642 HydrophobicContact CB-CE2 3.96Å; K575-Y642 VanDerWaalsContact CB-OH 3.32Å; K575-Y642 WeakPolarHBondContact CB-OH 3.45Å; K575-Y642 WeakPolarHBondContact CG-OH 3.41Å; K575-L643 WeakPolarHBondContact CA-O 3.39Å; K575-H673 PolarHBondContact O-N 3.01Å; K575-S674 PolarHBondContact N-OG 3.23Å; K575-M677 HydrophobicContact CB-CE 4.11Å; K575-M677 HydrophobicContact CD-CB 3.76Å; K575-M677 HydrophobicContact CD-CE 4.22Å; K575-M677 WeakPolarHBondContact CE-O 3.35Å
576	F	97.8	Very high	96.7	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.009	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	153.4	-171.3	-46.9	-28.7	0	0	0	111.8	Y642 L643 I645 A650 W654 I657 L670 T671 D672	F576-Y642 WeakPolarHBondContact O-CD2 3.49Å; F576-L643 HydrophobicContact CB-CB 4.25Å; F576-L643 PolarHBondContact N-O 3.44Å; F576-L643 PolarHBondContact O-N 2.72Å; F576-I645 HydrophobicContact CD2-CD1 3.54Å; F576-I645 HydrophobicContact CE2-CD1 3.59Å; F576-A650 HydrophobicContact CZ-CB 4.07Å; F576-A650 WeakPolarHBondContact CZ-O 3.42Å; F576-W654 AromaticContact CD1-CE3 3.95Å; F576-W654 HydrophobicContact CD1-CE3 3.95Å; F576-W654 HydrophobicContact CD1-CZ3 4.21Å; F576-W654 AromaticContact CD2-CE3 3.99Å; F576-W654 HydrophobicContact CD2-CE3 3.99Å; F576-W654 AromaticContact CE1-CE3 3.98Å; F576-W654 HydrophobicContact CE1-CE3 3.98Å; F576-W654 HydrophobicContact CE2-CB 3.83Å; F576-W654 HydrophobicContact CE2-CE3 4.01Å; F576-W654 AromaticContact CG-CE3 3.97Å; F576-W654 HydrophobicContact CG-CE3 3.97Å; F576-W654 HydrophobicContact CG-CZ3 4.28Å; F576-W654 HydrophobicContact CZ-CB 3.89Å; F576-W654 HydrophobicContact CZ-CE3 4.01Å; F576-I657 HydrophobicContact CD2-CD1 4.3Å; F576-L670 HydrophobicContact CB-CD1 4.22Å; F576-T671 CarbonylContact C-O 3.57Å; F576-T671 WeakPolarHBondContact CA-O 3.43Å; F576-D672 HydrophobicContact CD1-CB 3.94Å; F576-D672 VanDerWaalsContact CD1-OD1 3.3Å; F576-D672 WeakPolarHBondContact CD1-OD1 3.31Å; F576-D672 HydrophobicContact CE1-CB 4.1Å; F576-D672 VanDerWaalsContact CE1-CG 3.45Å; F576-D672 VanDerWaalsContact CE1-OD1 3.31Å; F576-D672 WeakPolarHBondContact CE1-OD1 3.31Å
577	Y	97.1	Very high	96.7	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	132.5	168.1	-65.4	-100.3	0	0	0	110.5	L623 P631 L632 P634 Y641 Y642 L670 T671 H673 M677	Y577-L623 HydrophobicContact CD1-CD1 3.61Å; Y577-L623 HydrophobicContact CE1-CD1 3.62Å; Y577-P631 PolarHBondContact OH-O 2.87Å; Y577-L632 WeakPolarHBondContact OH-CA 3.25Å; Y577-L632 PolarHBondContact OH-O 3.43Å; Y577-P634 HydrophobicContact CD1-CG 3.5Å; Y577-P634 HydrophobicContact CD2-CG 3.96Å; Y577-P634 HydrophobicContact CE1-CG 3.77Å; Y577-P634 HydrophobicContact CE2-CG 4.15Å; Y577-P634 HydrophobicContact CG-CG 3.61Å; Y577-Y641 WeakPolarHBondContact CA-O 3.36Å; Y577-Y642 AromaticContact CD1-CD2 3.92Å; Y577-Y642 HydrophobicContact CD1-CD2 3.92Å; Y577-Y642 AromaticContact CD2-CD2 3.99Å; Y577-Y642 HydrophobicContact CD2-CD2 3.99Å; Y577-Y642 HydrophobicContact CD2-CE2 4.37Å; Y577-Y642 AromaticContact CE1-CD2 3.47Å; Y577-Y642 HydrophobicContact CE1-CD2 3.47Å; Y577-Y642 VanDerWaalsContact CE1-CD2 3.47Å; Y577-Y642 HydrophobicContact CE1-CE2 4.33Å; Y577-Y642 HydrophobicContact CE1-CG 4.07Å; Y577-Y642 AromaticContact CE2-CD2 3.6Å; Y577-Y642 HydrophobicContact CE2-CD2 3.6Å; Y577-Y642 AromaticContact CE2-CE2 3.75Å; Y577-Y642 HydrophobicContact CE2-CE2 3.75Å; Y577-Y642 HydrophobicContact CG-CD2 4.16Å; Y577-Y642 AromaticContact CZ-CD2 3.31Å; Y577-Y642 AromaticContact CZ-CE2 3.72Å; Y577-L670 WeakPolarHBondContact O-CA 3.28Å; Y577-T671 PolarHBondContact N-O 2.88Å; Y577-T671 PolarHBondContact O-N 2.94Å; Y577-H673 AromaticContact CD2-CD2 3.55Å; Y577-H673 HydrophobicContact CE2-CB 4.13Å; Y577-H673 AromaticContact CE2-CD2 3.74Å; Y577-M677 HydrophobicContact CE2-CE 4.03Å
578	L	96.8	Very high	96.7	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	114.7	172	178.6	66.8	0	0	0	108.6	A583 A586 A587 L590 Y641 L643 I661 C668 L670	L578-A583 HydrophobicContact CG-CB 4.42Å; L578-A586 HydrophobicContact CD2-CB 4.12Å; L578-A587 HydrophobicContact CD2-CB 4.4Å; L578-L590 HydrophobicContact CD2-CD1 4.12Å; L578-Y641 HydrophobicContact CD2-CD2 4.37Å; L578-Y641 PolarHBondContact N-O 3.35Å; L578-Y641 PolarHBondContact O-N 2.88Å; L578-L643 HydrophobicContact CB-CD1 3.92Å; L578-I661 HydrophobicContact CD1-CD1 3.83Å; L578-C668 HydrophobicContact CD1-CB 3.83Å; L578-L670 HydrophobicContact CB-CD1 4.41Å; L578-L670 HydrophobicContact CD1-CD1 4.44Å
579	T	94.9	Very high	96.7	Very high	8 Å²	8	25.5 Å²	25.5	5%	0.049	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	178.7	-176.7	64.7	0	0	0	0	110.9	A640 C668 Q669	T579-A640 HydrophobicContact CG2-CB 3.96Å; T579-C668 CarbonylContact O-C 3.5Å; T579-C668 VanDerWaalsContact O-CA 3.27Å; T579-C668 WeakPolarHBondContact O-CA 3.38Å; T579-Q669 PolarHBondContact N-O 3.12Å; T579-Q669 PolarHBondContact O-N 3.19Å
580	G	92.6	Very high	96.7	Very high	29 Å²	29	25.1 Å²	25.1	30%	0.299	13%	0.131	S	C	.	.	S	Bend	trans	103.1	169.4	-179.6	0	0	0	0	0	113.8	D582 A583	G580-D582 VanDerWaalsContact C-N 3.26Å; G580-D582 PolarHBondContact O-N 3.2Å; G580-A583 WeakPolarHBondContact O-CB 3.26Å; G580-A583 PolarHBondContact O-N 2.83Å
581	P	93.5	Very high	96.7	Very high	116 Å²	116	24.9 Å²	24.9	75%	0.753	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-28.1	-170	23.4	-34.8	0	0	0	114.5	H667	P581-H667 VanDerWaalsContact CD-O 3.23Å; P581-H667 WeakPolarHBondContact CD-O 3.4Å; P581-H667 HydrophobicContact CG-CB 3.86Å
582	D	96.1	Very high	96.8	Very high	25 Å²	25	24.8 Å²	24.8	13%	0.134	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	5.5	176.5	-73.2	-37.1	0	0	0	114.2	G580 K584 K585 A586 F666 H667	G580-D582 VanDerWaalsContact C-N 3.26Å; G580-D582 PolarHBondContact O-N 3.2Å; D582-K584 PolarHBondContact O-N 3.03Å; D582-K585 HydrophobicContact CB-CD 4.48Å; D582-K585 WeakPolarHBondContact O-CA 3.28Å; D582-K585 WeakPolarHBondContact O-CB 3.46Å; D582-K585 PolarHBondContact O-N 3.05Å; D582-K585 WeakPolarHBondContact OD1-CD 3.49Å; D582-K585 VanDerWaalsContact OD1-CE 3.24Å; D582-K585 WeakPolarHBondContact OD1-CE 3.39Å; D582-K585 IonicContact OD1-NZ 3.42Å; D582-K585 PolarHBondContact OD1-NZ 2.93Å; D582-A586 PolarHBondContact O-N 3.46Å; D582-F666 HydrophobicContact CB-CB 4.04Å; D582-F666 HydrophobicContact CB-CD1 4.36Å; D582-H667 PolarHBondContact N-O 3.28Å; D582-H667 VanDerWaalsContact N-O 3.12Å; D582-H667 WeakPolarHBondContact OD2-CB 3.28Å; D582-H667 IonicContact OD2-CG 3.71Å; D582-H667 PolarHBondContact OD2-N 3.25Å
583	A	95.9	Very high	97	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-51.9	-38.5	-173.8	0	0	0	0	0	113.1	L578 G580 A587 D639 Y641 C668	L578-A583 HydrophobicContact CG-CB 4.42Å; G580-A583 WeakPolarHBondContact O-CB 3.26Å; G580-A583 PolarHBondContact O-N 2.83Å; A583-A587 VanDerWaalsContact O-CB 3.23Å; A583-A587 WeakPolarHBondContact O-CB 3.33Å; A583-A587 PolarHBondContact O-N 3.03Å; A583-D639 VanDerWaalsContact CB-O 3.29Å; A583-D639 WeakPolarHBondContact CB-O 3.14Å; A583-Y641 HydrophobicContact CB-CD2 4.3Å; A583-Y641 HydrophobicContact CB-CE2 4.02Å; A583-Y641 WeakPolarHBondContact O-CE2 3.36Å; A583-C668 PolarHBondContact N-SG 3.26Å; A583-C668 VanDerWaalsContact N-SG 3.41Å
584	K	96.8	Very high	97	Very high	76 Å²	76	24.8 Å²	24.8	33%	0.33	13%	0.133	S	C	.	.	H	α-helix	trans	-64.8	-43.1	174.1	-177.1	177.4	-173.7	-55.4	0	113.4	D582 A587 D588 N596 D639 Y641	D582-K584 PolarHBondContact O-N 3.03Å; K584-A587 PolarHBondContact O-N 3.23Å; K584-D588 IonicContact NZ-OD2 2.67Å; K584-D588 PolarHBondContact NZ-OD2 3.36Å; K584-D588 WeakPolarHBondContact O-CB 3.34Å; K584-D588 PolarHBondContact O-N 3.22Å; K584-N596 PolarHBondContact NZ-ND2 3.32Å; K584-D639 HydrophobicContact CB-CB 4.16Å; K584-D639 WeakPolarHBondContact CB-OD2 3.32Å; K584-Y641 WeakPolarHBondContact CA-OH 3.4Å
585	K	97.7	Very high	97.1	Very high	122 Å²	122	24.9 Å²	24.9	53%	0.53	13%	0.134	S	C	.	.	H	α-helix	trans	-66.5	-42.9	178.7	-58.9	179.8	-166.3	155.6	0	110.3	D582 D588 W589 F666	D582-K585 HydrophobicContact CB-CD 4.48Å; D582-K585 WeakPolarHBondContact O-CA 3.28Å; D582-K585 WeakPolarHBondContact O-CB 3.46Å; D582-K585 PolarHBondContact O-N 3.05Å; D582-K585 WeakPolarHBondContact OD1-CD 3.49Å; D582-K585 VanDerWaalsContact OD1-CE 3.24Å; D582-K585 WeakPolarHBondContact OD1-CE 3.39Å; D582-K585 IonicContact OD1-NZ 3.42Å; D582-K585 PolarHBondContact OD1-NZ 2.93Å; K585-D588 PolarHBondContact O-N 3.41Å; K585-W589 WeakPolarHBondContact O-CB 3.2Å; K585-W589 PolarHBondContact O-N 3.44Å; K585-F666 HydrophobicContact CB-CD1 4.34Å; K585-F666 HydrophobicContact CB-CE1 4Å; K585-F666 HydrophobicContact CB-CZ 4.49Å
586	A	98.1	Very high	97	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-59.9	-46.9	173.4	0	0	0	0	0	111.4	L578 D582 D588 W589 L590 F666 C668	L578-A586 HydrophobicContact CD2-CB 4.12Å; D582-A586 PolarHBondContact O-N 3.46Å; A586-D588 PolarHBondContact O-N 3.48Å; A586-W589 PolarHBondContact O-N 2.99Å; A586-L590 HydrophobicContact CB-CD1 4.29Å; A586-L590 VanDerWaalsContact O-CB 3.23Å; A586-L590 WeakPolarHBondContact O-CB 3.23Å; A586-L590 WeakPolarHBondContact O-CD1 3.4Å; A586-L590 VanDerWaalsContact O-CG 3.26Å; A586-L590 WeakPolarHBondContact O-CG 3.3Å; A586-L590 PolarHBondContact O-N 2.9Å; A586-F666 HydrophobicContact CB-CB 4.4Å; A586-F666 HydrophobicContact CB-CD2 3.63Å; A586-F666 HydrophobicContact CB-CE2 4.11Å; A586-F666 HydrophobicContact CB-CG 4.16Å; A586-C668 VanDerWaalsContact CB-SG 3.59Å
587	A	98.1	Very high	96.9	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-63.4	-38.7	176.2	0	0	0	0	0	113	L578 A583 K584 W589 F591 V595 Y641	L578-A587 HydrophobicContact CD2-CB 4.4Å; A583-A587 VanDerWaalsContact O-CB 3.23Å; A583-A587 WeakPolarHBondContact O-CB 3.33Å; A583-A587 PolarHBondContact O-N 3.03Å; K584-A587 PolarHBondContact O-N 3.23Å; A587-W589 VanDerWaalsContact C-N 3.35Å; A587-F591 HydrophobicContact CB-CD2 3.93Å; A587-F591 HydrophobicContact CB-CE2 3.94Å; A587-F591 WeakPolarHBondContact O-CB 3.3Å; A587-F591 WeakPolarHBondContact O-CD2 3.34Å; A587-F591 PolarHBondContact O-N 2.87Å; A587-V595 HydrophobicContact CB-CG2 3.9Å; A587-Y641 HydrophobicContact CB-CD1 4.28Å; A587-Y641 HydrophobicContact CB-CD2 4.07Å; A587-Y641 HydrophobicContact CB-CE1 3.97Å; A587-Y641 HydrophobicContact CB-CE2 3.78Å; A587-Y641 HydrophobicContact CB-CG 4.34Å
588	D	98.1	Very high	96.8	Very high	20 Å²	20	37.6 Å²	37.6	11%	0.107	19%	0.19	C	C	.	.	H	α-helix	trans	-63.3	-40.5	173	-82.3	-40	0	0	0	111.5	K584 K585 A586 N596 K797 I802	K584-D588 IonicContact NZ-OD2 2.67Å; K584-D588 PolarHBondContact NZ-OD2 3.36Å; K584-D588 WeakPolarHBondContact O-CB 3.34Å; K584-D588 PolarHBondContact O-N 3.22Å; K585-D588 PolarHBondContact O-N 3.41Å; A586-D588 PolarHBondContact O-N 3.48Å; D588-N596 PolarHBondContact OD1-ND2 2.98Å; D588-N596 PolarHBondContact OD2-ND2 2.83Å; D588-K797 WeakPolarHBondContact O-CE 3.39Å; D588-K797 PolarHBondContact O-NZ 2.99Å; D588-K797 IonicContact OD1-NZ 2.79Å; D588-I802 HydrophobicContact CB-CG2 3.89Å; D588-I802 WeakPolarHBondContact OD1-CG2 3.36Å
589	W	98.5	Very high	96.7	Very high	66 Å²	66	39.4 Å²	39.4	25%	0.25	20%	0.202	C	C	.	.	H	α-helix	trans	-76.5	-44.7	-179.1	-177.3	-104.7	0	0	0	114.4	K585 A586 A587 V660 F666 P803 F804 Q805	K585-W589 WeakPolarHBondContact O-CB 3.2Å; K585-W589 PolarHBondContact O-N 3.44Å; A586-W589 PolarHBondContact O-N 2.99Å; A587-W589 VanDerWaalsContact C-N 3.35Å; W589-V660 VanDerWaalsContact CD1-CG1 3.47Å; W589-F666 HydrophobicContact CB-CE2 3.97Å; W589-F666 HydrophobicContact CB-CZ 3.99Å; W589-F666 HydrophobicContact CG-CE2 4.25Å; W589-F666 HydrophobicContact CG-CZ 4.31Å; W589-P803 HydrophobicContact CE3-CB 4.25Å; W589-P803 HydrophobicContact CZ3-CB 4.15Å; W589-F804 WeakPolarHBondContact O-CA 3.38Å; W589-Q805 HydrophobicContact CD2-CB 4.47Å; W589-Q805 HydrophobicContact CZ2-CB 3.95Å; W589-Q805 HydrophobicContact CZ2-CG 4.15Å; W589-Q805 PolarHBondContact O-N 3.37Å
590	L	98.5	Very high	96.7	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.01	21%	0.209	C	C	.	.	H	α-helix	trans	-66.5	-42.4	-176.9	-77.6	162.3	0	0	0	112.7	L578 A586 M607 I657 V660	L578-L590 HydrophobicContact CD2-CD1 4.12Å; A586-L590 HydrophobicContact CB-CD1 4.29Å; A586-L590 VanDerWaalsContact O-CB 3.23Å; A586-L590 WeakPolarHBondContact O-CB 3.23Å; A586-L590 WeakPolarHBondContact O-CD1 3.4Å; A586-L590 VanDerWaalsContact O-CG 3.26Å; A586-L590 WeakPolarHBondContact O-CG 3.3Å; A586-L590 PolarHBondContact O-N 2.9Å; L590-M607 HydrophobicContact CD2-SD 4.39Å; L590-M607 WeakPolarHBondContact O-CA 3.29Å; L590-I657 HydrophobicContact CD1-CG2 3.98Å; L590-I657 HydrophobicContact CD2-CG1 4.33Å; L590-I657 HydrophobicContact CD2-CG2 4.46Å; L590-V660 HydrophobicContact CD2-CB 3.77Å; L590-V660 HydrophobicContact CD2-CG1 3.6Å; L590-V660 HydrophobicContact CD2-CG2 4.22Å; L590-V660 HydrophobicContact CG-CG1 4.15Å
591	F	98.6	Very high	97	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-100.2	126.9	-167.5	-56.1	-51	0	0	0	111.9	A587 A593 V595 T605 M607 L618 V620 L643 K797	A587-F591 HydrophobicContact CB-CD2 3.93Å; A587-F591 HydrophobicContact CB-CE2 3.94Å; A587-F591 WeakPolarHBondContact O-CB 3.3Å; A587-F591 WeakPolarHBondContact O-CD2 3.34Å; A587-F591 PolarHBondContact O-N 2.87Å; F591-A593 PolarHBondContact O-N 3.18Å; F591-V595 HydrophobicContact CB-CG1 3.87Å; F591-V595 HydrophobicContact CD2-CB 4.48Å; F591-V595 HydrophobicContact CD2-CG1 3.95Å; F591-V595 HydrophobicContact CD2-CG2 3.75Å; F591-V595 HydrophobicContact CE2-CG2 4.48Å; F591-V595 HydrophobicContact CG-CG1 4.08Å; F591-T605 HydrophobicContact CB-CG2 3.96Å; F591-T605 HydrophobicContact CD1-CG2 3.67Å; F591-T605 HydrophobicContact CE1-CG2 4.48Å; F591-T605 HydrophobicContact CG-CG2 3.95Å; F591-M607 HydrophobicContact CD1-CG 3.73Å; F591-M607 HydrophobicContact CD1-SD 4.45Å; F591-M607 HydrophobicContact CE1-CG 3.69Å; F591-M607 HydrophobicContact CE1-SD 3.82Å; F591-L618 HydrophobicContact CD1-CD2 4.27Å; F591-L618 HydrophobicContact CE1-CD1 3.95Å; F591-L618 HydrophobicContact CE1-CD2 4.2Å; F591-V620 HydrophobicContact CD1-CG2 3.88Å; F591-V620 HydrophobicContact CD2-CG1 4.25Å; F591-V620 HydrophobicContact CD2-CG2 4.04Å; F591-V620 HydrophobicContact CE1-CG2 3.61Å; F591-V620 HydrophobicContact CE2-CB 4.44Å; F591-V620 HydrophobicContact CE2-CG1 3.85Å; F591-V620 HydrophobicContact CE2-CG2 3.77Å; F591-V620 HydrophobicContact CG-CG2 4.1Å; F591-V620 HydrophobicContact CZ-CG1 4.31Å; F591-V620 HydrophobicContact CZ-CG2 3.56Å; F591-L643 HydrophobicContact CE1-CD2 4.44Å; F591-L643 HydrophobicContact CZ-CD2 3.91Å; F591-L643 HydrophobicContact CZ-CG 4.2Å; F591-K797 WeakPolarHBondContact O-CE 3.48Å; F591-K797 PolarHBondContact O-NZ 3.1Å
592	S	98.4	Very high	97.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.164	C	C	.	.	S	Bend	trans	-61.1	-29.9	176.2	65.3	0	0	0	0	112.4	T605 C606 T795 C796 K797	S592-T605 PolarHBondContact N-OG1 2.92Å; S592-T605 PolarHBondContact OG-OG1 2.96Å; S592-C606 PolarHBondContact N-O 2.81Å; S592-C606 PolarHBondContact OG-N 3.15Å; S592-C606 PolarHBondContact OG-O 3.15Å; S592-T795 CarbonylContact C-O 3.59Å; S592-T795 WeakPolarHBondContact CB-O 3.28Å; S592-T795 PolarHBondContact OG-O 2.85Å; S592-C796 CarbonylContact O-C 3.54Å; S592-C796 WeakPolarHBondContact O-CA 3.13Å; S592-K797 VanDerWaalsContact O-CG 3.28Å; S592-K797 WeakPolarHBondContact O-CG 3.29Å; S592-K797 PolarHBondContact O-N 3.22Å
593	A	98.3	Very high	97.3	Very high	9 Å²	9	33.8 Å²	33.8	7%	0.074	17%	0.165	C	C	.	.	S	Bend	trans	-87.7	162.6	178.3	0	0	0	0	0	111.7	F591 V595 V603 T605 T795 K797	F591-A593 PolarHBondContact O-N 3.18Å; A593-V595 PolarHBondContact O-N 3.06Å; A593-V603 HydrophobicContact CB-CG1 3.74Å; A593-T605 VanDerWaalsContact CB-OG1 3.31Å; A593-T605 WeakPolarHBondContact CB-OG1 3.29Å; A593-T605 PolarHBondContact N-OG1 2.91Å; A593-T795 WeakPolarHBondContact CA-O 3.41Å; A593-T795 WeakPolarHBondContact CB-O 3.42Å; A593-T795 PolarHBondContact N-O 2.96Å; A593-K797 PolarHBondContact O-NZ 2.68Å
594	D	97.5	Very high	97.4	Very high	45 Å²	45	36.7 Å²	36.7	24%	0.241	18%	0.176	C	C	.	.			trans	-82.1	97.4	166.2	171.1	21.2	0	0	0	108.8	N596 K597 K797	D594-N596 VanDerWaalsContact C-N 3.31Å; D594-N596 WeakPolarHBondContact OD1-CB 3.29Å; D594-N596 PolarHBondContact OD1-N 3.19Å; D594-K597 VanDerWaalsContact O-CE 3.23Å; D594-K597 WeakPolarHBondContact O-CE 3.4Å; D594-K597 IonicContact OD2-NZ 3.16Å; D594-K597 PolarHBondContact OD2-NZ 2.98Å; D594-K797 HydrophobicContact CB-CB 4.45Å; D594-K797 HydrophobicContact CB-CD 4.3Å
595	V	97.4	Very high	97.5	Very high	3 Å²	3	33 Å²	33	2%	0.018	16%	0.16	C	C	.	.			trans	-84.3	-5.5	177.1	-55.1	0	0	0	0	112.8	A587 F591 A593 K597 V603 T605 V620 Y641	A587-V595 HydrophobicContact CB-CG2 3.9Å; F591-V595 HydrophobicContact CB-CG1 3.87Å; F591-V595 HydrophobicContact CD2-CB 4.48Å; F591-V595 HydrophobicContact CD2-CG1 3.95Å; F591-V595 HydrophobicContact CD2-CG2 3.75Å; F591-V595 HydrophobicContact CE2-CG2 4.48Å; F591-V595 HydrophobicContact CG-CG1 4.08Å; A593-V595 PolarHBondContact O-N 3.06Å; V595-K597 PolarHBondContact O-N 3Å; V595-V603 HydrophobicContact CG1-CB 4.21Å; V595-V603 HydrophobicContact CG1-CG1 4.19Å; V595-T605 HydrophobicContact CG1-CG2 4.32Å; V595-V620 HydrophobicContact CB-CB 4.31Å; V595-V620 HydrophobicContact CB-CG1 4.01Å; V595-V620 HydrophobicContact CG1-CB 3.88Å; V595-V620 HydrophobicContact CG1-CG1 4.05Å; V595-V620 HydrophobicContact CG1-CG2 4.3Å; V595-V620 HydrophobicContact CG2-CG1 4.22Å; V595-Y641 HydrophobicContact CG2-CD1 4.25Å; V595-Y641 HydrophobicContact CG2-CE1 4.03Å
596	N	95.5	Very high	97.5	Very high	25 Å²	25	27.2 Å²	27.2	13%	0.134	14%	0.135	C	C	.	.			trans	-80.3	36.9	-175.3	-82.3	-57.4	0	0	0	113.5	K584 D588 D594 R622 Y641	K584-N596 PolarHBondContact NZ-ND2 3.32Å; D588-N596 PolarHBondContact OD1-ND2 2.98Å; D588-N596 PolarHBondContact OD2-ND2 2.83Å; D594-N596 VanDerWaalsContact C-N 3.31Å; D594-N596 WeakPolarHBondContact OD1-CB 3.29Å; D594-N596 PolarHBondContact OD1-N 3.19Å; N596-R622 PolarHBondContact O-NH1 2.84Å; N596-Y641 PolarHBondContact OD1-OH 2.68Å
597	K	95.6	Very high	97.5	Very high	91 Å²	91	27.2 Å²	27.2	40%	0.396	14%	0.135	S	C	.	.	S	Bend	trans	-71.6	178.9	174.7	-55	-47.4	-175.6	-167	0	110.8	D594 V595 S601 V603 R622	D594-K597 VanDerWaalsContact O-CE 3.23Å; D594-K597 WeakPolarHBondContact O-CE 3.4Å; D594-K597 IonicContact OD2-NZ 3.16Å; D594-K597 PolarHBondContact OD2-NZ 2.98Å; V595-K597 PolarHBondContact O-N 3Å; K597-S601 WeakPolarHBondContact CB-OG 3.38Å; K597-V603 HydrophobicContact CG-CG2 3.96Å; K597-R622 WeakPolarHBondContact O-CD 3.3Å; K597-R622 PolarHBondContact O-NH1 3.39Å
598	K	95.4	Very high	97.5	Very high	152 Å²	152	27.3 Å²	27.3	66%	0.661	14%	0.136	S	C	*	.			trans	-58.3	147	174.3	61.9	177	-177	175	0	110.7	S601	K598-S601 VanDerWaalsContact CG-OG 3.29Å; K598-S601 WeakPolarHBondContact CG-OG 3.22Å; K598-S601 WeakPolarHBondContact O-CB 3.45Å; K598-S601 PolarHBondContact O-N 2.77Å; K598-S601 VanDerWaalsContact O-N 3.1Å; K598-S601 PolarHBondContact O-OG 3.42Å
599	P	95.2	Very high	97.4	Very high	38 Å²	38	26.4 Å²	26.4	25%	0.247	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.9	146.9	165.8	-28.7	37	0	0	0	111.7	S601 R622 E624	P599-S601 VanDerWaalsContact C-N 3.28Å; P599-S601 PolarHBondContact O-N 3.17Å; P599-R622 WeakPolarHBondContact CA-O 3.38Å; P599-E624 HydrophobicContact CB-CG 3.81Å; P599-E624 WeakPolarHBondContact CB-OE1 3.43Å; P599-E624 WeakPolarHBondContact CB-OE2 3.46Å; P599-E624 WeakPolarHBondContact CG-OE2 3.48Å
600	G	95.6	Very high	97.2	Very high	19 Å²	19	30 Å²	30	20%	0.196	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.2	-10.5	-170.1	0	0	0	0	0	114.5	R622 T708 H709	G600-R622 PolarHBondContact N-O 2.67Å; G600-T708 CarbonylContact O-C 3.36Å; G600-T708 VanDerWaalsContact O-CA 3.26Å; G600-T708 WeakPolarHBondContact O-CA 3.45Å; G600-T708 WeakPolarHBondContact O-CB 3.27Å; G600-H709 WeakPolarHBondContact CA-ND1 3.34Å; G600-H709 PolarHBondContact O-N 3.44Å
601	S	97.9	Very high	97	Very high	15 Å²	15	35.7 Å²	35.7	11%	0.105	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-84.1	145.7	175.2	-50.8	0	0	0	0	111.4	K597 K598 P599 S621 R622	K597-S601 WeakPolarHBondContact CB-OG 3.38Å; K598-S601 VanDerWaalsContact CG-OG 3.29Å; K598-S601 WeakPolarHBondContact CG-OG 3.22Å; K598-S601 WeakPolarHBondContact O-CB 3.45Å; K598-S601 PolarHBondContact O-N 2.77Å; K598-S601 VanDerWaalsContact O-N 3.1Å; K598-S601 PolarHBondContact O-OG 3.42Å; P599-S601 VanDerWaalsContact C-N 3.28Å; P599-S601 PolarHBondContact O-N 3.17Å; S601-S621 WeakPolarHBondContact O-CA 3.35Å; S601-R622 PolarHBondContact O-N 3.04Å
602	T	98.4	Very high	96.8	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.012	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	137.9	168.9	-57.3	0	0	0	0	109.7	V620 S621 S707 M722 L724	T602-V620 CarbonylContact C-O 3.56Å; T602-V620 WeakPolarHBondContact CA-O 3.36Å; T602-S621 VanDerWaalsContact CG2-OG 3.22Å; T602-S621 WeakPolarHBondContact CG2-OG 3.43Å; T602-S621 WeakPolarHBondContact OG1-CB 3.43Å; T602-S621 PolarHBondContact OG1-OG 3.16Å; T602-S707 PolarHBondContact N-O 2.96Å; T602-S707 PolarHBondContact O-OG 2.84Å; T602-M722 HydrophobicContact CG2-SD 4.18Å; T602-L724 HydrophobicContact CG2-CD1 3.81Å
603	V	98.4	Very high	96.7	Very high	24 Å²	24	35.8 Å²	35.8	15%	0.145	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	124.2	-174	178.2	0	0	0	0	109.6	A593 V595 K597 T619 V620	A593-V603 HydrophobicContact CB-CG1 3.74Å; V595-V603 HydrophobicContact CG1-CB 4.21Å; V595-V603 HydrophobicContact CG1-CG1 4.19Å; K597-V603 HydrophobicContact CG-CG2 3.96Å; V603-T619 WeakPolarHBondContact O-CA 3.35Å; V603-V620 PolarHBondContact N-O 3.21Å; V603-V620 PolarHBondContact O-N 3.37Å
604	Y	97.9	Very high	96.6	Very high	61 Å²	61	35.4 Å²	35.4	24%	0.239	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	127.6	166.1	176.3	-107.4	0	0	0	109.7	D617 L618 T619 L792 F794 T795	Y604-D617 HydrophobicContact CE2-CB 3.89Å; Y604-D617 WeakPolarHBondContact CE2-OD2 3.14Å; Y604-D617 VanDerWaalsContact CZ-OD2 3.3Å; Y604-D617 WeakPolarHBondContact OH-CB 3.21Å; Y604-D617 PolarHBondContact OH-OD2 2.85Å; Y604-L618 WeakPolarHBondContact CA-O 3.18Å; Y604-T619 HydrophobicContact CD2-CG2 4.42Å; Y604-L792 HydrophobicContact CE1-CD2 4.35Å; Y604-F794 AromaticContact CD1-CE2 3.99Å; Y604-F794 HydrophobicContact CD1-CE2 3.99Å; Y604-F794 HydrophobicContact CD1-CZ 4.08Å; Y604-F794 HydrophobicContact CE1-CE2 4.38Å; Y604-F794 HydrophobicContact CE1-CZ 4.02Å; Y604-T795 HydrophobicContact CD1-CG2 3.58Å; Y604-T795 HydrophobicContact CE1-CG2 3.65Å
605	T	98.3	Very high	96.5	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	166.7	-174.4	-171.7	0	0	0	0	110.5	F591 S592 A593 V595 L618 V620	F591-T605 HydrophobicContact CB-CG2 3.96Å; F591-T605 HydrophobicContact CD1-CG2 3.67Å; F591-T605 HydrophobicContact CE1-CG2 4.48Å; F591-T605 HydrophobicContact CG-CG2 3.95Å; S592-T605 PolarHBondContact N-OG1 2.92Å; S592-T605 PolarHBondContact OG-OG1 2.96Å; A593-T605 VanDerWaalsContact CB-OG1 3.31Å; A593-T605 WeakPolarHBondContact CB-OG1 3.29Å; A593-T605 PolarHBondContact N-OG1 2.91Å; V595-T605 HydrophobicContact CG1-CG2 4.32Å; T605-L618 HydrophobicContact CG2-CD2 3.72Å; T605-L618 HydrophobicContact CG2-CG 4.19Å; T605-L618 PolarHBondContact N-O 3.16Å; T605-L618 PolarHBondContact O-N 3.14Å; T605-V620 HydrophobicContact CG2-CB 4.48Å; T605-V620 HydrophobicContact CG2-CG2 3.63Å
606	C	98	Very high	96.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	155.9	163.2	-55.9	0	0	0	0	110.4	S592 L608 A616 P787	S592-C606 PolarHBondContact N-O 2.81Å; S592-C606 PolarHBondContact OG-N 3.15Å; S592-C606 PolarHBondContact OG-O 3.15Å; C606-L608 HydrophobicContact CB-CD2 3.66Å; C606-L608 HydrophobicContact CB-CG 4.41Å; C606-A616 CarbonylContact C-O 3.51Å; C606-A616 WeakPolarHBondContact CA-O 3.42Å; C606-A616 WeakPolarHBondContact CB-O 3.48Å; C606-P787 HydrophobicContact CB-CG 4.47Å
607	M	98	Very high	96.4	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	138.3	153.5	-65.4	-172.5	-65.2	0	0	108	L590 F591 E615 A616 L618 N653 I657	L590-M607 HydrophobicContact CD2-SD 4.39Å; L590-M607 WeakPolarHBondContact O-CA 3.29Å; F591-M607 HydrophobicContact CD1-CG 3.73Å; F591-M607 HydrophobicContact CD1-SD 4.45Å; F591-M607 HydrophobicContact CE1-CG 3.69Å; F591-M607 HydrophobicContact CE1-SD 3.82Å; M607-E615 PolarHBondContact O-N 3.19Å; M607-A616 HydrophobicContact CB-CB 4.05Å; M607-A616 HydrophobicContact CE-CB 3.4Å; M607-A616 HydrophobicContact CG-CB 4.33Å; M607-A616 PolarHBondContact N-O 3.1Å; M607-A616 PolarHBondContact O-N 2.72Å; M607-L618 HydrophobicContact CE-CD1 4.43Å; M607-L618 HydrophobicContact CE-CD2 4.49Å; M607-L618 HydrophobicContact CG-CD2 3.81Å; M607-N653 HydrophobicContact CE-CB 3.93Å; M607-I657 HydrophobicContact CE-CD1 3.91Å; M607-I657 HydrophobicContact CE-CG1 3.85Å; M607-I657 HydrophobicContact SD-CD1 3.83Å; M607-I657 HydrophobicContact SD-CG1 3.41Å; M607-I657 WeakPolarHBondContact SD-CG1 3.34Å
608	L	97.9	Very high	96.5	Very high	2 Å²	2	29 Å²	29	1%	0.01	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	149.5	-171.8	-54.9	-176.1	0	0	0	112.5	C606 G613 A614 P787 F804 Q805 L810	C606-L608 HydrophobicContact CB-CD2 3.66Å; C606-L608 HydrophobicContact CB-CG 4.41Å; L608-G613 VanDerWaalsContact CA-O 3.31Å; L608-G613 WeakPolarHBondContact CA-O 3.33Å; L608-A614 HydrophobicContact CD2-CB 4.38Å; L608-P787 HydrophobicContact CD1-CG 4.18Å; L608-P787 HydrophobicContact CD2-CG 3.46Å; L608-P787 VanDerWaalsContact CD2-CG 3.46Å; L608-P787 HydrophobicContact CG-CG 4.47Å; L608-F804 HydrophobicContact CD1-CD2 4.12Å; L608-F804 HydrophobicContact CD1-CE2 3.78Å; L608-Q805 WeakPolarHBondContact CB-O 3.42Å; L608-Q805 VanDerWaalsContact O-CG 3.27Å; L608-Q805 WeakPolarHBondContact O-CG 3.44Å; L608-L810 HydrophobicContact CD1-CD1 3.74Å
609	N	95.8	Very high	96.6	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.112	C	C	.	.			trans	-85	174.1	169.5	61.3	64.8	0	0	0	113.4	R429 R611 G612 G613 E615 P783 G806	R429-N609 VanDerWaalsContact CZ-CG 3.43Å; R429-N609 PolarHBondContact NH2-ND2 3.02Å; N609-R611 PolarHBondContact O-N 2.79Å; N609-R611 VanDerWaalsContact O-N 3.14Å; N609-R611 WeakPolarHBondContact OD1-CA 3.2Å; N609-R611 WeakPolarHBondContact OD1-CB 3.2Å; N609-R611 PolarHBondContact OD1-N 2.87Å; N609-G612 PolarHBondContact O-N 2.91Å; N609-G612 PolarHBondContact OD1-N 3.07Å; N609-G613 PolarHBondContact N-O 3.45Å; N609-G613 VanDerWaalsContact ND2-C 3.31Å; N609-G613 WeakPolarHBondContact ND2-CA 3.17Å; N609-G613 PolarHBondContact ND2-O 3.09Å; N609-G613 PolarHBondContact OD1-N 3.06Å; N609-G613 VanDerWaalsContact OD1-N 3.16Å; N609-E615 HydrophobicContact CB-CG 3.79Å; N609-E615 WeakPolarHBondContact CB-OE1 3.39Å; N609-P783 PolarHBondContact ND2-O 3.31Å; N609-G806 VanDerWaalsContact O-CA 3.31Å; N609-G806 WeakPolarHBondContact O-CA 3.42Å
610	K	93.9	Very high	96.8	Very high	142 Å²	142	21.1 Å²	21.1	62%	0.617	10%	0.1	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-21.9	179.8	-63.5	-179.3	-178.2	171.2	0	113.6	Q805	K610-Q805 HydrophobicContact CG-CG 4.43Å
611	R	94.2	Very high	96.9	Very high	122 Å²	122	20.2 Å²	20.2	46%	0.46	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	8	173.5	-61.7	173.7	66.5	-151.3	1.2	113.1	E431 N609 G613 T809	E431-R611 PolarHBondContact O-NH1 2.98Å; N609-R611 PolarHBondContact O-N 2.79Å; N609-R611 VanDerWaalsContact O-N 3.14Å; N609-R611 WeakPolarHBondContact OD1-CA 3.2Å; N609-R611 WeakPolarHBondContact OD1-CB 3.2Å; N609-R611 PolarHBondContact OD1-N 2.87Å; R611-G613 PolarHBondContact O-N 2.83Å; R611-T809 VanDerWaalsContact O-CG2 3.25Å; R611-T809 WeakPolarHBondContact O-CG2 3.45Å
612	G	96.1	Very high	96.8	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	9%	0.094	C	C	.	.	S	Bend	trans	74.4	4	-179.6	0	0	0	0	0	115.5	N609 P787	N609-G612 PolarHBondContact O-N 2.91Å; N609-G612 PolarHBondContact OD1-N 3.07Å; G612-P787 WeakPolarHBondContact O-CD 3.27Å
613	G	96.1	Very high	96.7	Very high	2 Å²	2	22.1 Å²	22.1	2%	0.021	10%	0.097	C	C	.	.			trans	-74.6	153.2	174.5	0	0	0	0	0	112.2	L608 N609 R611 E615 D785	L608-G613 VanDerWaalsContact CA-O 3.31Å; L608-G613 WeakPolarHBondContact CA-O 3.33Å; N609-G613 PolarHBondContact N-O 3.45Å; N609-G613 VanDerWaalsContact ND2-C 3.31Å; N609-G613 WeakPolarHBondContact ND2-CA 3.17Å; N609-G613 PolarHBondContact ND2-O 3.09Å; N609-G613 PolarHBondContact OD1-N 3.06Å; N609-G613 VanDerWaalsContact OD1-N 3.16Å; R611-G613 PolarHBondContact O-N 2.83Å; G613-E615 PolarHBondContact O-N 3.48Å; G613-D785 CarbonylContact C-O 3.36Å; G613-D785 WeakPolarHBondContact CA-O 3.31Å
614	A	96.1	Very high	96.2	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	114.6	-175.2	0	0	0	0	0	112.4	L608 W777 L781 R782 P783 D785	L608-A614 HydrophobicContact CD2-CB 4.38Å; A614-W777 PolarHBondContact O-NE1 2.92Å; A614-L781 HydrophobicContact CB-CB 4.35Å; A614-L781 HydrophobicContact CB-CD1 4.42Å; A614-R782 CarbonylContact O-C 3.54Å; A614-P783 WeakPolarHBondContact O-CA 3.48Å; A614-D785 PolarHBondContact N-O 3.45Å
615	E	95.5	Very high	95.4	Very high	7 Å²	7	28 Å²	28	3%	0.033	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	-20	172.6	-66.9	-79.2	-164	0	0	112.4	R429 M607 N609 G613 H652 N653 W777	R429-E615 IonicContact CZ-OE1 2.68Å; R429-E615 IonicContact NH1-OE1 2.71Å; R429-E615 PolarHBondContact NH1-OE1 3.32Å; R429-E615 IonicContact NH2-OE1 2.68Å; R429-E615 PolarHBondContact NH2-OE1 3.47Å; M607-E615 PolarHBondContact O-N 3.19Å; N609-E615 HydrophobicContact CB-CG 3.79Å; N609-E615 WeakPolarHBondContact CB-OE1 3.39Å; G613-E615 PolarHBondContact O-N 3.48Å; E615-H652 IonicContact OE2-CE1 3.65Å; E615-H652 PolarHBondContact OE2-CE1 3.11Å; E615-H652 IonicContact OE2-NE2 2.73Å; E615-H652 PolarHBondContact OE2-NE2 2.78Å; E615-N653 PolarHBondContact O-ND2 2.69Å; E615-W777 VanDerWaalsContact C-CE2 3.5Å; E615-W777 WeakPolarHBondContact O-CZ2 3.25Å; E615-W777 PolarHBondContact O-NE1 2.82Å
616	A	95	Very high	94.3	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	155.4	169.3	0	0	0	0	0	110.5	C606 M607 L618 N653 W777	C606-A616 CarbonylContact C-O 3.51Å; C606-A616 WeakPolarHBondContact CA-O 3.42Å; C606-A616 WeakPolarHBondContact CB-O 3.48Å; M607-A616 HydrophobicContact CB-CB 4.05Å; M607-A616 HydrophobicContact CE-CB 3.4Å; M607-A616 HydrophobicContact CG-CB 4.33Å; M607-A616 PolarHBondContact N-O 3.1Å; M607-A616 PolarHBondContact O-N 2.72Å; A616-L618 HydrophobicContact CB-CD2 4.16Å; A616-N653 WeakPolarHBondContact CB-OD1 3.42Å; A616-W777 VanDerWaalsContact CA-CD1 3.43Å
617	D	95	Very high	92.7	Very high	19 Å²	19	33.6 Å²	33.6	10%	0.102	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	134.5	146.4	75.8	-58.5	0	0	0	109.7	Y604 W777 L781	Y604-D617 HydrophobicContact CE2-CB 3.89Å; Y604-D617 WeakPolarHBondContact CE2-OD2 3.14Å; Y604-D617 VanDerWaalsContact CZ-OD2 3.3Å; Y604-D617 WeakPolarHBondContact OH-CB 3.21Å; Y604-D617 PolarHBondContact OH-OD2 2.85Å; D617-W777 WeakPolarHBondContact OD1-CB 3.47Å; D617-L781 HydrophobicContact CB-CD1 3.77Å
618	L	97.3	Very high	91.1	Very high	5 Å²	5	35.5 Å²	35.5	3%	0.026	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	170.2	-168.5	77.4	162.9	0	0	0	111.8	F591 Y604 T605 M607 A616 V620 L643 I645	F591-L618 HydrophobicContact CD1-CD2 4.27Å; F591-L618 HydrophobicContact CE1-CD1 3.95Å; F591-L618 HydrophobicContact CE1-CD2 4.2Å; Y604-L618 WeakPolarHBondContact CA-O 3.18Å; T605-L618 HydrophobicContact CG2-CD2 3.72Å; T605-L618 HydrophobicContact CG2-CG 4.19Å; T605-L618 PolarHBondContact N-O 3.16Å; T605-L618 PolarHBondContact O-N 3.14Å; M607-L618 HydrophobicContact CE-CD1 4.43Å; M607-L618 HydrophobicContact CE-CD2 4.49Å; M607-L618 HydrophobicContact CG-CD2 3.81Å; A616-L618 HydrophobicContact CB-CD2 4.16Å; L618-V620 HydrophobicContact CD1-CG2 4Å; L618-V620 HydrophobicContact CG-CG2 4.09Å; L618-L643 HydrophobicContact CD1-CB 4.21Å; L618-L643 HydrophobicContact CD1-CD2 4.07Å; L618-L643 HydrophobicContact CD1-CG 4.24Å; L618-I645 HydrophobicContact CB-CG1 3.79Å; L618-I645 HydrophobicContact CD1-CD1 3.85Å; L618-I645 HydrophobicContact CD1-CG1 3.55Å; L618-I645 HydrophobicContact CG-CG1 4.32Å
619	T	98.1	Very high	89.5	Confident	22 Å²	22	43.7 Å²	43.7	14%	0.135	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	133.3	169.3	60.8	0	0	0	0	111	V603 Y604 A644 L724	V603-T619 WeakPolarHBondContact O-CA 3.35Å; Y604-T619 HydrophobicContact CD2-CG2 4.42Å; T619-A644 PolarHBondContact N-O 2.97Å; T619-A644 VanDerWaalsContact N-O 3.16Å; T619-A644 PolarHBondContact O-N 3.26Å; T619-L724 HydrophobicContact CG2-CD1 3.91Å
620	V	98.6	Very high	88.4	Confident	1 Å²	1	47.8 Å²	47.8	1%	0.006	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	122.5	177.9	-177.8	0	0	0	0	108.7	F591 V595 T602 V603 T605 L618 Y641 Y642	F591-V620 HydrophobicContact CD1-CG2 3.88Å; F591-V620 HydrophobicContact CD2-CG1 4.25Å; F591-V620 HydrophobicContact CD2-CG2 4.04Å; F591-V620 HydrophobicContact CE1-CG2 3.61Å; F591-V620 HydrophobicContact CE2-CB 4.44Å; F591-V620 HydrophobicContact CE2-CG1 3.85Å; F591-V620 HydrophobicContact CE2-CG2 3.77Å; F591-V620 HydrophobicContact CG-CG2 4.1Å; F591-V620 HydrophobicContact CZ-CG1 4.31Å; F591-V620 HydrophobicContact CZ-CG2 3.56Å; V595-V620 HydrophobicContact CB-CB 4.31Å; V595-V620 HydrophobicContact CB-CG1 4.01Å; V595-V620 HydrophobicContact CG1-CB 3.88Å; V595-V620 HydrophobicContact CG1-CG1 4.05Å; V595-V620 HydrophobicContact CG1-CG2 4.3Å; V595-V620 HydrophobicContact CG2-CG1 4.22Å; T602-V620 CarbonylContact C-O 3.56Å; T602-V620 WeakPolarHBondContact CA-O 3.36Å; V603-V620 PolarHBondContact N-O 3.21Å; V603-V620 PolarHBondContact O-N 3.37Å; T605-V620 HydrophobicContact CG2-CB 4.48Å; T605-V620 HydrophobicContact CG2-CG2 3.63Å; L618-V620 HydrophobicContact CD1-CG2 4Å; L618-V620 HydrophobicContact CG-CG2 4.09Å; V620-Y641 HydrophobicContact CG1-CD1 3.96Å; V620-Y641 HydrophobicContact CG1-CG 4.34Å; V620-Y642 CarbonylContact C-O 3.26Å; V620-Y642 WeakPolarHBondContact CA-O 3.2Å
621	S	98.3	Very high	87.8	Confident	0 Å²	0	43 Å²	43	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	129.4	179.3	-50.2	0	0	0	0	111.2	S601 T602 Y641 Y642 H709	S601-S621 WeakPolarHBondContact O-CA 3.35Å; T602-S621 VanDerWaalsContact CG2-OG 3.22Å; T602-S621 WeakPolarHBondContact CG2-OG 3.43Å; T602-S621 WeakPolarHBondContact OG1-CB 3.43Å; T602-S621 PolarHBondContact OG1-OG 3.16Å; S621-Y641 CarbonylContact O-C 3.55Å; S621-Y641 WeakPolarHBondContact O-CA 3.44Å; S621-Y642 PolarHBondContact N-O 3.18Å; S621-Y642 PolarHBondContact O-N 2.82Å; S621-H709 WeakPolarHBondContact CB-CD2 3.09Å; S621-H709 VanDerWaalsContact CB-NE2 3.32Å; S621-H709 WeakPolarHBondContact CB-NE2 3.43Å; S621-H709 PolarHBondContact OG-CD2 2.74Å
622	R	96.9	Very high	87.5	Confident	46 Å²	46	37.2 Å²	37.2	17%	0.174	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	126.6	175.2	-164	-176.2	-171.6	177.5	0.9	110.2	N596 K597 P599 G600 S601 D639 Y641	N596-R622 PolarHBondContact O-NH1 2.84Å; K597-R622 WeakPolarHBondContact O-CD 3.3Å; K597-R622 PolarHBondContact O-NH1 3.39Å; P599-R622 WeakPolarHBondContact CA-O 3.38Å; G600-R622 PolarHBondContact N-O 2.67Å; S601-R622 PolarHBondContact O-N 3.04Å; R622-D639 IonicContact CZ-OD1 3.17Å; R622-D639 VanDerWaalsContact CZ-OD1 3.32Å; R622-D639 IonicContact NE-OD1 2.66Å; R622-D639 PolarHBondContact NE-OD1 3.12Å; R622-D639 VanDerWaalsContact NE-OD1 3.17Å; R622-D639 IonicContact NH2-OD1 3.76Å; R622-D639 PolarHBondContact NH2-OD1 2.91Å; R622-D639 IonicContact NH2-OD2 2.68Å; R622-Y641 HydrophobicContact CG-CD1 4.44Å; R622-Y641 HydrophobicContact CG-CE1 4.11Å
623	L	94.4	Very high	87	Confident	12 Å²	12	38.1 Å²	38.1	6%	0.063	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-91.9	162.2	-177.5	-52.5	-176.9	0	0	0	111.3	Y577 A640	Y577-L623 HydrophobicContact CD1-CD1 3.61Å; Y577-L623 HydrophobicContact CE1-CD1 3.62Å; L623-A640 HydrophobicContact CB-CB 4.11Å; L623-A640 HydrophobicContact CD1-CB 4.17Å; L623-A640 HydrophobicContact CG-CB 4.49Å; L623-A640 PolarHBondContact N-O 3.3Å
624	E	88.4	Confident	86.3	Confident	137 Å²	137	39.3 Å²	39.3	64%	0.64	23%	0.23	S	C	*	.	P	Polyproline II helix	trans	-81.3	136.6	162.3	-67.1	-71	-173.5	0	0	108.5	P599	P599-E624 HydrophobicContact CB-CG 3.81Å; P599-E624 WeakPolarHBondContact CB-OE1 3.43Å; P599-E624 WeakPolarHBondContact CB-OE2 3.46Å; P599-E624 WeakPolarHBondContact CG-OE2 3.48Å
625	P	80.4	Confident	85.7	Confident	72 Å²	72	43.8 Å²	43.8	47%	0.468	25%	0.25	S	S	.	.	P	Polyproline II helix	trans	-61.2	149.1	171.2	-19.1	31.3	0	0	0	111.4
626	G	77.3	Confident	85.2	Confident	34 Å²	34	44 Å²	44	35%	0.351	25%	0.252	S	S	.	.	B	Isolated β-bridge	trans	178.1	163.2	-179.4	0	0	0	0	0	115.8	A628 Q635 S636	G626-A628 VanDerWaalsContact C-N 3.29Å; G626-A628 PolarHBondContact O-N 3.08Å; G626-Q635 WeakPolarHBondContact O-CA 3.24Å; G626-S636 PolarHBondContact N-O 2.89Å; G626-S636 VanDerWaalsContact N-O 3.1Å; G626-S636 PolarHBondContact O-N 3.48Å
627	A	63.8	Low	84.4	Confident	83 Å²	83	51.1 Å²	51.1	69%	0.686	29%	0.291	S	S	*	.			trans	-87.9	15	-179.4	0	0	0	0	0	114.1
628	A	64	Low	84	Confident	40 Å²	40	51.8 Å²	51.8	33%	0.331	30%	0.302	S	S	.	.			trans	-68.6	147.4	-178.8	0	0	0	0	0	111.3	G626 A633 P634 Q635	G626-A628 VanDerWaalsContact C-N 3.29Å; G626-A628 PolarHBondContact O-N 3.08Å; A628-A633 CarbonylContact C-O 3.56Å; A628-A633 VanDerWaalsContact C-O 3.26Å; A628-A633 HydrophobicContact CB-CB 4.02Å; A628-A633 WeakPolarHBondContact CB-O 3.23Å; A628-A633 VanDerWaalsContact O-O 3.12Å; A628-P634 CarbonylContact O-C 3.08Å; A628-Q635 WeakPolarHBondContact O-CA 3.16Å; A628-Q635 PolarHBondContact O-N 2.85Å
629	K	64.9	Low	83.8	Confident	173 Å²	173	53.9 Å²	53.9	75%	0.752	31%	0.313	S	S	*	.			trans	-124.5	36.9	178.1	-64.3	-173.8	178	-176.5	0	111.3
630	L	71.6	Confident	83.6	Confident	86 Å²	86	52.9 Å²	52.9	45%	0.45	31%	0.307	S	S	.	.	B	Isolated β-bridge	trans	-100.5	149	178.1	-64.5	175.4	0	0	0	109.3	L632 A633	L630-L632 PolarHBondContact O-N 3.47Å; L630-A633 PolarHBondContact N-O 3.33Å; L630-A633 CarbonylContact O-C 3.57Å; L630-A633 PolarHBondContact O-N 2.84Å
631	P	81.5	Confident	83.5	Confident	42 Å²	42	52.8 Å²	52.8	27%	0.273	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-24.3	175.4	-27.4	35.4	0	0	0	114.5	Y577 D676 M677	Y577-P631 PolarHBondContact OH-O 2.87Å; P631-D676 HydrophobicContact CB-CB 4.06Å; P631-D676 HydrophobicContact CG-CB 4.39Å; P631-M677 HydrophobicContact CB-CG 4.14Å; P631-M677 WeakPolarHBondContact O-CE 3.42Å
632	L	89.1	Confident	83.5	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.005	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-25.2	175.3	-64.4	172.9	0	0	0	114	Y577 L630 M677 L711 Q718 R720 H735 P737	Y577-L632 WeakPolarHBondContact OH-CA 3.25Å; Y577-L632 PolarHBondContact OH-O 3.43Å; L630-L632 PolarHBondContact O-N 3.47Å; L632-M677 HydrophobicContact CD2-SD 3.79Å; L632-L711 HydrophobicContact CB-CD2 4.08Å; L632-L711 HydrophobicContact CD1-CD2 4.28Å; L632-Q718 HydrophobicContact CD1-CB 4.33Å; L632-Q718 HydrophobicContact CD1-CG 3.94Å; L632-Q718 WeakPolarHBondContact CD1-O 3.31Å; L632-R720 HydrophobicContact CD2-CB 3.98Å; L632-R720 PolarHBondContact O-NH2 2.95Å; L632-H735 WeakPolarHBondContact CD2-O 3.22Å; L632-P737 HydrophobicContact CD1-CG 3.86Å; L632-P737 HydrophobicContact CD2-CG 4.4Å; L632-P737 HydrophobicContact CG-CG 3.9Å
633	A	84.2	Confident	83.6	Confident	18 Å²	18	50.7 Å²	50.7	15%	0.149	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-152.1	80.8	-172.5	0	0	0	0	0	108.2	A628 L630 L711	A628-A633 CarbonylContact C-O 3.56Å; A628-A633 VanDerWaalsContact C-O 3.26Å; A628-A633 HydrophobicContact CB-CB 4.02Å; A628-A633 WeakPolarHBondContact CB-O 3.23Å; A628-A633 VanDerWaalsContact O-O 3.12Å; L630-A633 PolarHBondContact N-O 3.33Å; L630-A633 CarbonylContact O-C 3.57Å; L630-A633 PolarHBondContact O-N 2.84Å; A633-L711 HydrophobicContact CB-CD1 4.32Å
634	P	82.4	Confident	83.7	Confident	28 Å²	28	50.3 Å²	50.3	18%	0.182	30%	0.297	C	S	.	.			trans	-67.9	158.8	172.9	29.6	-34	0	0	0	110.5	Y577 A628 S636	Y577-P634 HydrophobicContact CD1-CG 3.5Å; Y577-P634 HydrophobicContact CD2-CG 3.96Å; Y577-P634 HydrophobicContact CE1-CG 3.77Å; Y577-P634 HydrophobicContact CE2-CG 4.15Å; Y577-P634 HydrophobicContact CG-CG 3.61Å; A628-P634 CarbonylContact O-C 3.08Å; P634-S636 PolarHBondContact O-N 3.06Å
635	Q	83.5	Confident	84.1	Confident	93 Å²	93	43.8 Å²	43.8	44%	0.435	27%	0.267	S	S	.	.			trans	-62.9	132.8	-175.9	178.8	177.5	-16.4	0	0	111	G626 A628	G626-Q635 WeakPolarHBondContact O-CA 3.24Å; A628-Q635 WeakPolarHBondContact O-CA 3.16Å; A628-Q635 PolarHBondContact O-N 2.85Å
636	S	83.6	Confident	84.7	Confident	11 Å²	11	41.3 Å²	41.3	8%	0.077	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-149.9	122.1	174.4	64.6	0	0	0	0	112	G626 P634 G638 A640	G626-S636 PolarHBondContact N-O 2.89Å; G626-S636 VanDerWaalsContact N-O 3.1Å; G626-S636 PolarHBondContact O-N 3.48Å; P634-S636 PolarHBondContact O-N 3.06Å; S636-G638 PolarHBondContact O-N 3.38Å; S636-A640 WeakPolarHBondContact OG-CB 3.47Å
637	D	80.1	Confident	85.3	Confident	151 Å²	151	39.8 Å²	39.8	81%	0.807	24%	0.239	S	C	*	.	S	Bend	trans	-88.6	19.4	-178.9	-52.5	-39	0	0	0	112.9
638	G	86.6	Confident	86.4	Confident	32 Å²	32	36.6 Å²	36.6	33%	0.33	21%	0.214	S	C	.	.	S	Bend	trans	-174.1	-155.9	-174.3	0	0	0	0	0	112.4	S636 A640	S636-G638 PolarHBondContact O-N 3.38Å; G638-A640 PolarHBondContact O-N 2.84Å
639	D	91.7	Very high	87.7	Confident	49 Å²	49	35 Å²	35	26%	0.262	20%	0.2	S	C	.	.			trans	-57.4	130.5	177.7	-86.3	-52.1	0	0	0	112.1	A583 K584 R622 Y641	A583-D639 VanDerWaalsContact CB-O 3.29Å; A583-D639 WeakPolarHBondContact CB-O 3.14Å; K584-D639 HydrophobicContact CB-CB 4.16Å; K584-D639 WeakPolarHBondContact CB-OD2 3.32Å; R622-D639 IonicContact CZ-OD1 3.17Å; R622-D639 VanDerWaalsContact CZ-OD1 3.32Å; R622-D639 IonicContact NE-OD1 2.66Å; R622-D639 PolarHBondContact NE-OD1 3.12Å; R622-D639 VanDerWaalsContact NE-OD1 3.17Å; R622-D639 IonicContact NH2-OD1 3.76Å; R622-D639 PolarHBondContact NH2-OD1 2.91Å; R622-D639 IonicContact NH2-OD2 2.68Å; D639-Y641 HydrophobicContact CB-CE2 4.09Å
640	A	94.4	Very high	89.1	Confident	1 Å²	1	27.2 Å²	27.2	1%	0.008	17%	0.168	C	C	.	.			trans	-139.7	139.2	-178.3	0	0	0	0	0	111.3	T579 L623 S636 G638	T579-A640 HydrophobicContact CG2-CB 3.96Å; L623-A640 HydrophobicContact CB-CB 4.11Å; L623-A640 HydrophobicContact CD1-CB 4.17Å; L623-A640 HydrophobicContact CG-CB 4.49Å; L623-A640 PolarHBondContact N-O 3.3Å; S636-A640 WeakPolarHBondContact OG-CB 3.47Å; G638-A640 PolarHBondContact O-N 2.84Å
641	Y	97.3	Very high	90.2	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	135.4	-177.6	-51.2	-92.3	0	0	0	110	Y577 L578 A583 K584 A587 V595 N596 V620 S621 R622 D639	Y577-Y641 WeakPolarHBondContact CA-O 3.36Å; L578-Y641 HydrophobicContact CD2-CD2 4.37Å; L578-Y641 PolarHBondContact N-O 3.35Å; L578-Y641 PolarHBondContact O-N 2.88Å; A583-Y641 HydrophobicContact CB-CD2 4.3Å; A583-Y641 HydrophobicContact CB-CE2 4.02Å; A583-Y641 WeakPolarHBondContact O-CE2 3.36Å; K584-Y641 WeakPolarHBondContact CA-OH 3.4Å; A587-Y641 HydrophobicContact CB-CD1 4.28Å; A587-Y641 HydrophobicContact CB-CD2 4.07Å; A587-Y641 HydrophobicContact CB-CE1 3.97Å; A587-Y641 HydrophobicContact CB-CE2 3.78Å; A587-Y641 HydrophobicContact CB-CG 4.34Å; V595-Y641 HydrophobicContact CG2-CD1 4.25Å; V595-Y641 HydrophobicContact CG2-CE1 4.03Å; N596-Y641 PolarHBondContact OD1-OH 2.68Å; V620-Y641 HydrophobicContact CG1-CD1 3.96Å; V620-Y641 HydrophobicContact CG1-CG 4.34Å; S621-Y641 CarbonylContact O-C 3.55Å; S621-Y641 WeakPolarHBondContact O-CA 3.44Å; R622-Y641 HydrophobicContact CG-CD1 4.44Å; R622-Y641 HydrophobicContact CG-CE1 4.11Å; D639-Y641 HydrophobicContact CB-CE2 4.09Å
642	Y	97.7	Very high	90.8	Very high	1 Å²	1	21.9 Å²	21.9	0%	0.004	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	131.5	167.4	178.1	-110.4	0	0	0	109.8	K575 F576 Y577 V620 S621 A644 M677 M722 H735	K575-Y642 HydrophobicContact CB-CE2 3.96Å; K575-Y642 VanDerWaalsContact CB-OH 3.32Å; K575-Y642 WeakPolarHBondContact CB-OH 3.45Å; K575-Y642 WeakPolarHBondContact CG-OH 3.41Å; F576-Y642 WeakPolarHBondContact O-CD2 3.49Å; Y577-Y642 AromaticContact CD1-CD2 3.92Å; Y577-Y642 HydrophobicContact CD1-CD2 3.92Å; Y577-Y642 AromaticContact CD2-CD2 3.99Å; Y577-Y642 HydrophobicContact CD2-CD2 3.99Å; Y577-Y642 HydrophobicContact CD2-CE2 4.37Å; Y577-Y642 AromaticContact CE1-CD2 3.47Å; Y577-Y642 HydrophobicContact CE1-CD2 3.47Å; Y577-Y642 VanDerWaalsContact CE1-CD2 3.47Å; Y577-Y642 HydrophobicContact CE1-CE2 4.33Å; Y577-Y642 HydrophobicContact CE1-CG 4.07Å; Y577-Y642 AromaticContact CE2-CD2 3.6Å; Y577-Y642 HydrophobicContact CE2-CD2 3.6Å; Y577-Y642 AromaticContact CE2-CE2 3.75Å; Y577-Y642 HydrophobicContact CE2-CE2 3.75Å; Y577-Y642 HydrophobicContact CG-CD2 4.16Å; Y577-Y642 AromaticContact CZ-CD2 3.31Å; Y577-Y642 AromaticContact CZ-CE2 3.72Å; V620-Y642 CarbonylContact C-O 3.26Å; V620-Y642 WeakPolarHBondContact CA-O 3.2Å; S621-Y642 PolarHBondContact N-O 3.18Å; S621-Y642 PolarHBondContact O-N 2.82Å; Y642-A644 HydrophobicContact CE1-CB 4.25Å; Y642-M677 HydrophobicContact CE2-CE 4.06Å; Y642-M722 HydrophobicContact CD1-CE 3.39Å; Y642-M722 HydrophobicContact CE1-CE 3.36Å; Y642-H735 AromaticContact CE1-CE1 3.79Å; Y642-H735 AromaticContact CE1-ND1 3.65Å; Y642-H735 AromaticContact CZ-ND1 3.7Å; Y642-H735 PolarHBondContact OH-ND1 2.76Å
643	L	98.3	Very high	91.2	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	122.2	-177.5	-65.5	70.5	0	0	0	108.2	K575 F576 L578 F591 L618 I645 I657	K575-L643 WeakPolarHBondContact CA-O 3.39Å; F576-L643 HydrophobicContact CB-CB 4.25Å; F576-L643 PolarHBondContact N-O 3.44Å; F576-L643 PolarHBondContact O-N 2.72Å; L578-L643 HydrophobicContact CB-CD1 3.92Å; F591-L643 HydrophobicContact CE1-CD2 4.44Å; F591-L643 HydrophobicContact CZ-CD2 3.91Å; F591-L643 HydrophobicContact CZ-CG 4.2Å; L618-L643 HydrophobicContact CD1-CB 4.21Å; L618-L643 HydrophobicContact CD1-CD2 4.07Å; L618-L643 HydrophobicContact CD1-CG 4.24Å; L643-I645 HydrophobicContact CB-CD1 4.19Å; L643-I645 HydrophobicContact CB-CG1 4.43Å; L643-I645 HydrophobicContact CD2-CD1 4.26Å; L643-I657 HydrophobicContact CD2-CD1 3.62Å
644	A	97.6	Very high	91.8	Very high	4 Å²	4	23.8 Å²	23.8	3%	0.033	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	119.3	167.5	0	0	0	0	0	109.3	G574 T619 Y642	G574-A644 WeakPolarHBondContact O-CA 3.4Å; T619-A644 PolarHBondContact N-O 2.97Å; T619-A644 VanDerWaalsContact N-O 3.16Å; T619-A644 PolarHBondContact O-N 3.26Å; Y642-A644 HydrophobicContact CE1-CB 4.25Å
645	I	95.8	Very high	92.5	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	142.6	-167.7	-68.6	167.3	0	0	0	109.6	F573 G574 F576 L618 L643 G647 V649 A650 N653 I657	F573-I645 CarbonylContact C-O 3.52Å; F573-I645 VanDerWaalsContact CA-O 3.31Å; F573-I645 WeakPolarHBondContact CA-O 3.26Å; F573-I645 VanDerWaalsContact CB-O 3.31Å; F573-I645 WeakPolarHBondContact CB-O 3.48Å; F573-I645 WeakPolarHBondContact CD1-O 3.41Å; F573-I645 VanDerWaalsContact CG-O 3.28Å; F573-I645 WeakPolarHBondContact CG-O 3.49Å; G574-I645 PolarHBondContact N-O 3.28Å; G574-I645 PolarHBondContact O-N 3.3Å; F576-I645 HydrophobicContact CD2-CD1 3.54Å; F576-I645 HydrophobicContact CE2-CD1 3.59Å; L618-I645 HydrophobicContact CB-CG1 3.79Å; L618-I645 HydrophobicContact CD1-CD1 3.85Å; L618-I645 HydrophobicContact CD1-CG1 3.55Å; L618-I645 HydrophobicContact CG-CG1 4.32Å; L643-I645 HydrophobicContact CB-CD1 4.19Å; L643-I645 HydrophobicContact CB-CG1 4.43Å; L643-I645 HydrophobicContact CD2-CD1 4.26Å; I645-G647 PolarHBondContact O-N 2.65Å; I645-V649 HydrophobicContact CG2-CG2 4.08Å; I645-A650 HydrophobicContact CG2-CB 4.49Å; I645-N653 HydrophobicContact CD1-CB 4.21Å; I645-N653 HydrophobicContact CG2-CB 3.98Å; I645-N653 WeakPolarHBondContact CG2-OD1 3.39Å; I645-I657 HydrophobicContact CD1-CD1 4.29Å
646	G	93.1	Very high	93.1	Very high	21 Å²	21	18.8 Å²	18.8	22%	0.216	12%	0.115	C	C	.	.			trans	-53.6	124.2	177.2	0	0	0	0	0	112.3	G648 V649 A650	G646-G648 VanDerWaalsContact C-N 3.26Å; G646-G648 PolarHBondContact O-N 2.99Å; G646-G648 VanDerWaalsContact O-N 3.15Å; G646-V649 WeakPolarHBondContact O-CG2 3.46Å; G646-V649 PolarHBondContact O-N 2.96Å; G646-A650 PolarHBondContact O-N 3.29Å
647	G	89.8	Confident	93.8	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.01	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-59.5	-33.9	-168.4	0	0	0	0	0	114.9	H500 Y572 I645 V649 A650	H500-G647 PolarHBondContact ND1-O 3.24Å; Y572-G647 WeakPolarHBondContact O-CA 3.48Å; I645-G647 PolarHBondContact O-N 2.65Å; G647-V649 PolarHBondContact O-N 3.21Å; G647-V649 VanDerWaalsContact O-N 3.15Å; G647-A650 PolarHBondContact O-N 3.02Å
648	G	86.8	Confident	94.5	Very high	16 Å²	16	14.7 Å²	14.7	17%	0.165	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	-70.7	-2.1	177.3	0	0	0	0	0	114.6	Y435 H500 G646	Y435-G648 PolarHBondContact OH-O 3.37Å; H500-G648 PolarHBondContact CE1-O 3.46Å; H500-G648 PolarHBondContact NE2-O 3.27Å; G646-G648 VanDerWaalsContact C-N 3.26Å; G646-G648 PolarHBondContact O-N 2.99Å; G646-G648 VanDerWaalsContact O-N 3.15Å
649	V	91.4	Very high	94.9	Very high	6 Å²	6	14.5 Å²	14.5	4%	0.036	8%	0.079	C	C	.	.	G	3₁₀ helix	trans	-132.8	3.4	178.9	-55	0	0	0	0	112.4	I645 G646 G647 E651 H652 N653 W777	I645-V649 HydrophobicContact CG2-CG2 4.08Å; G646-V649 WeakPolarHBondContact O-CG2 3.46Å; G646-V649 PolarHBondContact O-N 2.96Å; G647-V649 PolarHBondContact O-N 3.21Å; G647-V649 VanDerWaalsContact O-N 3.15Å; V649-E651 PolarHBondContact O-N 3.03Å; V649-H652 PolarHBondContact O-N 2.9Å; V649-N653 WeakPolarHBondContact O-CB 3.28Å; V649-N653 PolarHBondContact O-N 2.55Å; V649-W777 HydrophobicContact CB-CE3 4.04Å; V649-W777 HydrophobicContact CB-CZ3 4.31Å; V649-W777 HydrophobicContact CG1-CD2 4.08Å; V649-W777 HydrophobicContact CG1-CE3 3.25Å; V649-W777 HydrophobicContact CG1-CZ3 3.69Å
650	A	94.4	Very high	95.2	Very high	10 Å²	10	12.5 Å²	12.5	8%	0.083	7%	0.068	C	C	.	.	H	α-helix	trans	-58.6	-42	-171.5	0	0	0	0	0	113.2	F576 I645 G646 G647 N653 W654	F576-A650 HydrophobicContact CZ-CB 4.07Å; F576-A650 WeakPolarHBondContact CZ-O 3.42Å; I645-A650 HydrophobicContact CG2-CB 4.49Å; G646-A650 PolarHBondContact O-N 3.29Å; G647-A650 PolarHBondContact O-N 3.02Å; A650-N653 PolarHBondContact O-N 2.93Å; A650-W654 VanDerWaalsContact O-CB 3.3Å; A650-W654 WeakPolarHBondContact O-CB 3.18Å; A650-W654 PolarHBondContact O-N 3.12Å
651	E	94.6	Very high	95.2	Very high	12 Å²	12	13.4 Å²	13.4	6%	0.056	7%	0.073	C	C	.	.	H	α-helix	trans	-65.5	-47.8	176.4	-178.7	72.8	-120.2	0	0	111.9	H443 S444 V649 N653 W654 N655	H443-E651 WeakPolarHBondContact CA-OE2 3.37Å; H443-E651 IonicContact CD2-OE2 2.72Å; H443-E651 PolarHBondContact CD2-OE2 2.98Å; H443-E651 VanDerWaalsContact CD2-OE2 3.3Å; H443-E651 IonicContact CG-OE2 2.79Å; H443-E651 IonicContact NE2-OE2 2.76Å; S444-E651 PolarHBondContact N-OE2 2.94Å; S444-E651 PolarHBondContact OG-OE2 3.38Å; S444-E651 VanDerWaalsContact OG-OE2 3.08Å; V649-E651 PolarHBondContact O-N 3.03Å; E651-N653 VanDerWaalsContact C-N 3.25Å; E651-N653 PolarHBondContact O-N 2.67Å; E651-W654 WeakPolarHBondContact O-CB 3.43Å; E651-W654 PolarHBondContact O-N 2.89Å; E651-N655 WeakPolarHBondContact O-CB 3.4Å; E651-N655 PolarHBondContact O-N 3.22Å; E651-N655 PolarHBondContact O-ND2 2.75Å; E651-N655 PolarHBondContact OE1-ND2 3.33Å
652	H	94.9	Very high	95.1	Very high	5 Å²	5	15.5 Å²	15.5	2%	0.023	8%	0.082	C	C	.	.	H	α-helix	trans	-55.1	-44	174.2	175.4	61.2	0	0	0	111.5	Y435 R440 E615 V649 N655 H656 W777	Y435-H652 HydrophobicContact CD2-CB 4.39Å; Y435-H652 HydrophobicContact CE2-CB 4.05Å; R440-H652 PolarHBondContact O-N 2.97Å; E615-H652 IonicContact OE2-CE1 3.65Å; E615-H652 PolarHBondContact OE2-CE1 3.11Å; E615-H652 IonicContact OE2-NE2 2.73Å; E615-H652 PolarHBondContact OE2-NE2 2.78Å; V649-H652 PolarHBondContact O-N 2.9Å; H652-N655 PolarHBondContact O-N 3.34Å; H652-H656 WeakPolarHBondContact O-CB 3.46Å; H652-H656 PolarHBondContact O-N 3.19Å; H652-W777 AromaticContact CD2-CH2 3.43Å; H652-W777 VanDerWaalsContact CD2-CH2 3.43Å; H652-W777 WeakPolarHBondContact CD2-CH2 3.48Å; H652-W777 AromaticContact CD2-CZ2 3.76Å; H652-W777 AromaticContact NE2-CH2 3.69Å; H652-W777 AromaticContact NE2-CZ2 3.8Å
653	N	96.4	Very high	94.9	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-71.8	-39.1	-179.2	-72.7	-174.5	0	0	0	113.4	M607 E615 A616 I645 V649 A650 E651 N655 H656 I657	M607-N653 HydrophobicContact CE-CB 3.93Å; E615-N653 PolarHBondContact O-ND2 2.69Å; A616-N653 WeakPolarHBondContact CB-OD1 3.42Å; I645-N653 HydrophobicContact CD1-CB 4.21Å; I645-N653 HydrophobicContact CG2-CB 3.98Å; I645-N653 WeakPolarHBondContact CG2-OD1 3.39Å; V649-N653 WeakPolarHBondContact O-CB 3.28Å; V649-N653 PolarHBondContact O-N 2.55Å; A650-N653 PolarHBondContact O-N 2.93Å; E651-N653 VanDerWaalsContact C-N 3.25Å; E651-N653 PolarHBondContact O-N 2.67Å; N653-N655 VanDerWaalsContact C-N 3.3Å; N653-N655 PolarHBondContact O-N 2.93Å; N653-H656 PolarHBondContact O-N 3Å; N653-I657 WeakPolarHBondContact O-CD1 3.46Å; N653-I657 VanDerWaalsContact O-CG1 3.26Å; N653-I657 WeakPolarHBondContact O-CG1 3.3Å; N653-I657 PolarHBondContact O-N 3.11Å
654	W	97.4	Very high	94.8	Very high	59 Å²	59	23.2 Å²	23.2	22%	0.223	12%	0.121	C	C	.	.	H	α-helix	trans	-54.6	-49.5	169.9	172.6	-97.7	0	0	0	110.7	F576 A650 E651 I657 R658 L670 D672	F576-W654 AromaticContact CD1-CE3 3.95Å; F576-W654 HydrophobicContact CD1-CE3 3.95Å; F576-W654 HydrophobicContact CD1-CZ3 4.21Å; F576-W654 AromaticContact CD2-CE3 3.99Å; F576-W654 HydrophobicContact CD2-CE3 3.99Å; F576-W654 AromaticContact CE1-CE3 3.98Å; F576-W654 HydrophobicContact CE1-CE3 3.98Å; F576-W654 HydrophobicContact CE2-CB 3.83Å; F576-W654 HydrophobicContact CE2-CE3 4.01Å; F576-W654 AromaticContact CG-CE3 3.97Å; F576-W654 HydrophobicContact CG-CE3 3.97Å; F576-W654 HydrophobicContact CG-CZ3 4.28Å; F576-W654 HydrophobicContact CZ-CB 3.89Å; F576-W654 HydrophobicContact CZ-CE3 4.01Å; A650-W654 VanDerWaalsContact O-CB 3.3Å; A650-W654 WeakPolarHBondContact O-CB 3.18Å; A650-W654 PolarHBondContact O-N 3.12Å; E651-W654 WeakPolarHBondContact O-CB 3.43Å; E651-W654 PolarHBondContact O-N 2.89Å; W654-I657 PolarHBondContact O-N 2.98Å; W654-R658 WeakPolarHBondContact O-CB 3.39Å; W654-R658 PolarHBondContact O-N 3.33Å; W654-L670 HydrophobicContact CD2-CD2 3.83Å; W654-L670 HydrophobicContact CE3-CD2 3.46Å; W654-L670 VanDerWaalsContact CE3-CD2 3.46Å; W654-L670 HydrophobicContact CE3-CG 3.88Å; W654-L670 HydrophobicContact CH2-CB 4.29Å; W654-L670 HydrophobicContact CH2-CD2 4.04Å; W654-L670 HydrophobicContact CH2-CG 3.93Å; W654-L670 WeakPolarHBondContact CH2-O 3.37Å; W654-L670 HydrophobicContact CZ2-CD2 4.38Å; W654-L670 HydrophobicContact CZ3-CB 4.32Å; W654-L670 HydrophobicContact CZ3-CD2 3.58Å; W654-L670 HydrophobicContact CZ3-CG 3.48Å; W654-L670 VanDerWaalsContact CZ3-CG 3.48Å; W654-D672 HydrophobicContact CE3-CB 4.22Å; W654-D672 HydrophobicContact CH2-CB 4.12Å; W654-D672 HydrophobicContact CZ3-CB 3.69Å
655	N	96.2	Very high	94.6	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.011	14%	0.135	C	C	.	.	H	α-helix	trans	-64.8	-42.6	178	-73.2	-61.8	0	0	0	112.4	P395 R440 E651 H652 N653 R658 T659	P395-N655 VanDerWaalsContact CB-OD1 3.29Å; P395-N655 WeakPolarHBondContact CB-OD1 3.47Å; R440-N655 HydrophobicContact CG-CB 4.39Å; E651-N655 WeakPolarHBondContact O-CB 3.4Å; E651-N655 PolarHBondContact O-N 3.22Å; E651-N655 PolarHBondContact O-ND2 2.75Å; E651-N655 PolarHBondContact OE1-ND2 3.33Å; H652-N655 PolarHBondContact O-N 3.34Å; N653-N655 VanDerWaalsContact C-N 3.3Å; N653-N655 PolarHBondContact O-N 2.93Å; N655-R658 PolarHBondContact O-N 3.05Å; N655-R658 PolarHBondContact OD1-NH2 2.79Å; N655-T659 WeakPolarHBondContact O-CB 3.43Å; N655-T659 PolarHBondContact O-N 2.62Å; N655-T659 PolarHBondContact O-OG1 2.85Å; N655-T659 VanDerWaalsContact O-OG1 3.08Å
656	H	96.7	Very high	94.6	Very high	14 Å²	14	26.2 Å²	26.2	7%	0.065	14%	0.142	C	C	.	.	H	α-helix	trans	-57.9	-50.1	174.7	177.6	72.9	0	0	0	112.3	H652 N653 R658 T659 V660	H652-H656 WeakPolarHBondContact O-CB 3.46Å; H652-H656 PolarHBondContact O-N 3.19Å; N653-H656 PolarHBondContact O-N 3Å; H656-R658 VanDerWaalsContact C-N 3.35Å; H656-R658 PolarHBondContact O-N 2.91Å; H656-T659 PolarHBondContact O-N 2.96Å; H656-V660 WeakPolarHBondContact O-CG2 3.19Å; H656-V660 PolarHBondContact O-N 3.2Å
657	I	98.1	Very high	94.6	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-59.6	-47	178.4	-65.1	160	0	0	0	110.3	F576 L590 M607 L643 I645 N653 W654 V660 I661 L670	F576-I657 HydrophobicContact CD2-CD1 4.3Å; L590-I657 HydrophobicContact CD1-CG2 3.98Å; L590-I657 HydrophobicContact CD2-CG1 4.33Å; L590-I657 HydrophobicContact CD2-CG2 4.46Å; M607-I657 HydrophobicContact CE-CD1 3.91Å; M607-I657 HydrophobicContact CE-CG1 3.85Å; M607-I657 HydrophobicContact SD-CD1 3.83Å; M607-I657 HydrophobicContact SD-CG1 3.41Å; M607-I657 WeakPolarHBondContact SD-CG1 3.34Å; L643-I657 HydrophobicContact CD2-CD1 3.62Å; I645-I657 HydrophobicContact CD1-CD1 4.29Å; N653-I657 WeakPolarHBondContact O-CD1 3.46Å; N653-I657 VanDerWaalsContact O-CG1 3.26Å; N653-I657 WeakPolarHBondContact O-CG1 3.3Å; N653-I657 PolarHBondContact O-N 3.11Å; W654-I657 PolarHBondContact O-N 2.98Å; I657-V660 PolarHBondContact O-N 3.03Å; I657-I661 HydrophobicContact CG2-CD1 3.74Å; I657-I661 HydrophobicContact CG2-CG1 4.4Å; I657-I661 WeakPolarHBondContact O-CG1 3.43Å; I657-I661 PolarHBondContact O-N 2.83Å; I657-L670 HydrophobicContact CB-CD2 4.06Å; I657-L670 HydrophobicContact CG2-CD1 3.92Å; I657-L670 HydrophobicContact CG2-CD2 3.77Å; I657-L670 HydrophobicContact CG2-CG 4.44Å
658	R	96.2	Very high	94.7	Very high	76 Å²	76	32.2 Å²	32.2	29%	0.287	17%	0.167	S	C	.	.	H	α-helix	trans	-61.2	-45.6	179.3	-175.6	173.7	60.7	122.8	10.4	112	P395 W654 N655 H656 V660 I661 Q662	P395-R658 PolarHBondContact O-NH1 2.69Å; P395-R658 PolarHBondContact O-NH2 2.85Å; W654-R658 WeakPolarHBondContact O-CB 3.39Å; W654-R658 PolarHBondContact O-N 3.33Å; N655-R658 PolarHBondContact O-N 3.05Å; N655-R658 PolarHBondContact OD1-NH2 2.79Å; H656-R658 VanDerWaalsContact C-N 3.35Å; H656-R658 PolarHBondContact O-N 2.91Å; R658-V660 VanDerWaalsContact C-N 3.34Å; R658-V660 PolarHBondContact O-N 3.23Å; R658-I661 PolarHBondContact O-N 3.48Å; R658-Q662 VanDerWaalsContact O-CG 3.23Å; R658-Q662 WeakPolarHBondContact O-CG 3.04Å; R658-Q662 PolarHBondContact O-N 3.3Å
659	T	95	Very high	95	Very high	27 Å²	27	37 Å²	37	17%	0.166	19%	0.185	C	C	.	.	H	α-helix	trans	-60.1	-42.9	174.6	-63.9	0	0	0	0	111.4	N655 H656 Q662 D663	N655-T659 WeakPolarHBondContact O-CB 3.43Å; N655-T659 PolarHBondContact O-N 2.62Å; N655-T659 PolarHBondContact O-OG1 2.85Å; N655-T659 VanDerWaalsContact O-OG1 3.08Å; H656-T659 PolarHBondContact O-N 2.96Å; T659-Q662 PolarHBondContact O-N 3.32Å; T659-D663 VanDerWaalsContact O-CB 3.26Å; T659-D663 WeakPolarHBondContact O-CB 3.43Å; T659-D663 VanDerWaalsContact O-CG 3.27Å; T659-D663 PolarHBondContact O-N 3.38Å
660	V	96.3	Very high	95.2	Very high	7 Å²	7	38.1 Å²	38.1	4%	0.042	19%	0.191	C	C	.	.	H	α-helix	trans	-67.4	-41	178.9	171.7	0	0	0	0	112	W589 L590 H656 I657 R658 Q662 D663 Q664	W589-V660 VanDerWaalsContact CD1-CG1 3.47Å; L590-V660 HydrophobicContact CD2-CB 3.77Å; L590-V660 HydrophobicContact CD2-CG1 3.6Å; L590-V660 HydrophobicContact CD2-CG2 4.22Å; L590-V660 HydrophobicContact CG-CG1 4.15Å; H656-V660 WeakPolarHBondContact O-CG2 3.19Å; H656-V660 PolarHBondContact O-N 3.2Å; I657-V660 PolarHBondContact O-N 3.03Å; R658-V660 VanDerWaalsContact C-N 3.34Å; R658-V660 PolarHBondContact O-N 3.23Å; V660-Q662 VanDerWaalsContact C-N 3.34Å; V660-Q662 PolarHBondContact O-N 2.79Å; V660-D663 PolarHBondContact O-N 2.84Å; V660-Q664 HydrophobicContact CG1-CG 4.33Å; V660-Q664 WeakPolarHBondContact O-CB 3.12Å; V660-Q664 VanDerWaalsContact O-CG 3.3Å; V660-Q664 WeakPolarHBondContact O-CG 3.46Å; V660-Q664 PolarHBondContact O-N 2.89Å
661	I	95.8	Very high	95.3	Very high	20 Å²	20	39.1 Å²	39.1	10%	0.103	20%	0.196	C	C	.	.	H	α-helix	trans	-59.3	-45.8	174	-71.9	168.6	0	0	0	110.6	L578 I657 R658 G665 F666 C668	L578-I661 HydrophobicContact CD1-CD1 3.83Å; I657-I661 HydrophobicContact CG2-CD1 3.74Å; I657-I661 HydrophobicContact CG2-CG1 4.4Å; I657-I661 WeakPolarHBondContact O-CG1 3.43Å; I657-I661 PolarHBondContact O-N 2.83Å; R658-I661 PolarHBondContact O-N 3.48Å; I661-G665 PolarHBondContact O-N 2.71Å; I661-F666 HydrophobicContact CG2-CB 4.33Å; I661-F666 WeakPolarHBondContact CG2-O 3.39Å; I661-F666 PolarHBondContact O-N 2.99Å; I661-C668 HydrophobicContact CD1-CB 4.08Å; I661-C668 HydrophobicContact CG1-CB 4.47Å; I661-C668 HydrophobicContact CG2-CB 4.31Å
662	Q	93.8	Very high	95.3	Very high	44 Å²	44	41.5 Å²	41.5	21%	0.206	21%	0.209	C	C	.	.	H	α-helix	trans	-63.3	-49.8	176.8	-69.8	171.3	-0.4	0	0	112.4	V246 R658 T659 V660 Q664 G665	V246-Q662 HydrophobicContact CG2-CB 4.49Å; V246-Q662 HydrophobicContact CG2-CG 3.71Å; R658-Q662 VanDerWaalsContact O-CG 3.23Å; R658-Q662 WeakPolarHBondContact O-CG 3.04Å; R658-Q662 PolarHBondContact O-N 3.3Å; T659-Q662 PolarHBondContact O-N 3.32Å; V660-Q662 VanDerWaalsContact C-N 3.34Å; V660-Q662 PolarHBondContact O-N 2.79Å; Q662-Q664 PolarHBondContact O-N 3.38Å; Q662-G665 PolarHBondContact O-N 3.43Å; Q662-G665 VanDerWaalsContact O-N 3.16Å
663	D	93.9	Very high	95.3	Very high	75 Å²	75	43 Å²	43	40%	0.401	22%	0.216	S	C	.	.	H	α-helix	trans	-68	-19.6	-176.9	-77.1	16.3	0	0	0	112.7	R398 T659 V660	R398-D663 IonicContact CZ-OD1 3.29Å; R398-D663 IonicContact NH1-OD1 3.77Å; R398-D663 PolarHBondContact NH1-OD1 3.16Å; R398-D663 IonicContact NH2-OD1 3.84Å; R398-D663 PolarHBondContact NH2-OD1 2.89Å; R398-D663 IonicContact NH2-OD2 2.69Å; T659-D663 VanDerWaalsContact O-CB 3.26Å; T659-D663 WeakPolarHBondContact O-CB 3.43Å; T659-D663 VanDerWaalsContact O-CG 3.27Å; T659-D663 PolarHBondContact O-N 3.38Å; V660-D663 PolarHBondContact O-N 2.84Å
664	Q	95.6	Very high	95.2	Very high	88 Å²	88	43.3 Å²	43.3	41%	0.411	22%	0.218	S	C	.	.	H	α-helix	trans	-102	-7.8	173.9	-62.2	-59.7	-89	0	0	113.7	V660 Q662 F666	V660-Q664 HydrophobicContact CG1-CG 4.33Å; V660-Q664 WeakPolarHBondContact O-CB 3.12Å; V660-Q664 VanDerWaalsContact O-CG 3.3Å; V660-Q664 WeakPolarHBondContact O-CG 3.46Å; V660-Q664 PolarHBondContact O-N 2.89Å; Q662-Q664 PolarHBondContact O-N 3.38Å; Q664-F666 VanDerWaalsContact C-N 3.28Å; Q664-F666 HydrophobicContact CB-CD1 4.16Å; Q664-F666 HydrophobicContact CB-CD2 3.63Å; Q664-F666 HydrophobicContact CB-CE1 3.97Å; Q664-F666 HydrophobicContact CB-CE2 3.41Å; Q664-F666 VanDerWaalsContact CB-CE2 3.41Å; Q664-F666 HydrophobicContact CB-CG 4Å; Q664-F666 HydrophobicContact CB-CZ 3.6Å; Q664-F666 HydrophobicContact CG-CD2 4.31Å; Q664-F666 HydrophobicContact CG-CE2 3.69Å; Q664-F666 HydrophobicContact CG-CZ 3.94Å; Q664-F666 PolarHBondContact O-N 3.36Å
665	G	94.5	Very high	95.1	Very high	32 Å²	32	44.8 Å²	44.8	33%	0.33	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.7	28.2	-176.5	0	0	0	0	0	114.1	I661 Q662	I661-G665 PolarHBondContact O-N 2.71Å; Q662-G665 PolarHBondContact O-N 3.43Å; Q662-G665 VanDerWaalsContact O-N 3.16Å
666	F	94.8	Very high	95	Very high	35 Å²	35	47.9 Å²	47.9	15%	0.154	24%	0.244	C	C	.	.			trans	-71.9	131.3	-178.7	-65.4	-42.2	0	0	0	111.5	D582 K585 A586 W589 I661 Q664 C668	D582-F666 HydrophobicContact CB-CB 4.04Å; D582-F666 HydrophobicContact CB-CD1 4.36Å; K585-F666 HydrophobicContact CB-CD1 4.34Å; K585-F666 HydrophobicContact CB-CE1 4Å; K585-F666 HydrophobicContact CB-CZ 4.49Å; A586-F666 HydrophobicContact CB-CB 4.4Å; A586-F666 HydrophobicContact CB-CD2 3.63Å; A586-F666 HydrophobicContact CB-CE2 4.11Å; A586-F666 HydrophobicContact CB-CG 4.16Å; W589-F666 HydrophobicContact CB-CE2 3.97Å; W589-F666 HydrophobicContact CB-CZ 3.99Å; W589-F666 HydrophobicContact CG-CE2 4.25Å; W589-F666 HydrophobicContact CG-CZ 4.31Å; I661-F666 HydrophobicContact CG2-CB 4.33Å; I661-F666 WeakPolarHBondContact CG2-O 3.39Å; I661-F666 PolarHBondContact O-N 2.99Å; Q664-F666 VanDerWaalsContact C-N 3.28Å; Q664-F666 HydrophobicContact CB-CD1 4.16Å; Q664-F666 HydrophobicContact CB-CD2 3.63Å; Q664-F666 HydrophobicContact CB-CE1 3.97Å; Q664-F666 HydrophobicContact CB-CE2 3.41Å; Q664-F666 VanDerWaalsContact CB-CE2 3.41Å; Q664-F666 HydrophobicContact CB-CG 4Å; Q664-F666 HydrophobicContact CB-CZ 3.6Å; Q664-F666 HydrophobicContact CG-CD2 4.31Å; Q664-F666 HydrophobicContact CG-CE2 3.69Å; Q664-F666 HydrophobicContact CG-CZ 3.94Å; Q664-F666 PolarHBondContact O-N 3.36Å; F666-C668 VanDerWaalsContact C-N 3.27Å; F666-C668 PolarHBondContact O-N 2.86Å
667	H	93.4	Very high	94.9	Very high	120 Å²	120	47.4 Å²	47.4	56%	0.556	24%	0.242	S	C	*	.			trans	-78.9	79.7	173.1	-67.1	-171.1	0	0	0	109.8	P581 D582	P581-H667 VanDerWaalsContact CD-O 3.23Å; P581-H667 WeakPolarHBondContact CD-O 3.4Å; P581-H667 HydrophobicContact CG-CB 3.86Å; D582-H667 PolarHBondContact N-O 3.28Å; D582-H667 VanDerWaalsContact N-O 3.12Å; D582-H667 WeakPolarHBondContact OD2-CB 3.28Å; D582-H667 IonicContact OD2-CG 3.71Å; D582-H667 PolarHBondContact OD2-N 3.25Å
668	C	93.3	Very high	94.9	Very high	28 Å²	28	47.4 Å²	47.4	19%	0.189	24%	0.242	C	C	.	.			trans	-127.9	150.3	-179.9	-64.2	0	0	0	0	111.7	L578 T579 A583 A586 I661 F666	L578-C668 HydrophobicContact CD1-CB 3.83Å; T579-C668 CarbonylContact O-C 3.5Å; T579-C668 VanDerWaalsContact O-CA 3.27Å; T579-C668 WeakPolarHBondContact O-CA 3.38Å; A583-C668 PolarHBondContact N-SG 3.26Å; A583-C668 VanDerWaalsContact N-SG 3.41Å; A586-C668 VanDerWaalsContact CB-SG 3.59Å; I661-C668 HydrophobicContact CD1-CB 4.08Å; I661-C668 HydrophobicContact CG1-CB 4.47Å; I661-C668 HydrophobicContact CG2-CB 4.31Å; F666-C668 VanDerWaalsContact C-N 3.27Å; F666-C668 PolarHBondContact O-N 2.86Å
669	Q	92.3	Very high	95	Very high	117 Å²	117	43.8 Å²	43.8	55%	0.547	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	134.5	164.7	-168.6	-179.3	16.9	0	0	108.8	T579 T671	T579-Q669 PolarHBondContact N-O 3.12Å; T579-Q669 PolarHBondContact O-N 3.19Å; Q669-T671 HydrophobicContact CG-CG2 4.04Å
670	L	95.7	Very high	95.2	Very high	29 Å²	29	42.5 Å²	42.5	15%	0.152	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	126.3	168.8	-169.6	72.4	0	0	0	107.4	F576 Y577 L578 W654 I657	F576-L670 HydrophobicContact CB-CD1 4.22Å; Y577-L670 WeakPolarHBondContact O-CA 3.28Å; L578-L670 HydrophobicContact CB-CD1 4.41Å; L578-L670 HydrophobicContact CD1-CD1 4.44Å; W654-L670 HydrophobicContact CD2-CD2 3.83Å; W654-L670 HydrophobicContact CE3-CD2 3.46Å; W654-L670 VanDerWaalsContact CE3-CD2 3.46Å; W654-L670 HydrophobicContact CE3-CG 3.88Å; W654-L670 HydrophobicContact CH2-CB 4.29Å; W654-L670 HydrophobicContact CH2-CD2 4.04Å; W654-L670 HydrophobicContact CH2-CG 3.93Å; W654-L670 WeakPolarHBondContact CH2-O 3.37Å; W654-L670 HydrophobicContact CZ2-CD2 4.38Å; W654-L670 HydrophobicContact CZ3-CB 4.32Å; W654-L670 HydrophobicContact CZ3-CD2 3.58Å; W654-L670 HydrophobicContact CZ3-CG 3.48Å; W654-L670 VanDerWaalsContact CZ3-CG 3.48Å; I657-L670 HydrophobicContact CB-CD2 4.06Å; I657-L670 HydrophobicContact CG2-CD1 3.92Å; I657-L670 HydrophobicContact CG2-CD2 3.77Å; I657-L670 HydrophobicContact CG2-CG 4.44Å
671	T	95.5	Very high	95.3	Very high	32 Å²	32	42.4 Å²	42.4	20%	0.196	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	142.9	176.7	52.6	0	0	0	0	110.5	F576 Y577 Q669	F576-T671 CarbonylContact C-O 3.57Å; F576-T671 WeakPolarHBondContact CA-O 3.43Å; Y577-T671 PolarHBondContact N-O 2.88Å; Y577-T671 PolarHBondContact O-N 2.94Å; Q669-T671 HydrophobicContact CG-CG2 4.04Å
672	D	95.4	Very high	95.4	Very high	62 Å²	62	41.4 Å²	41.4	33%	0.332	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	126.1	175.1	-173.2	8	0	0	0	110.1	F576 W654 S674	F576-D672 HydrophobicContact CD1-CB 3.94Å; F576-D672 VanDerWaalsContact CD1-OD1 3.3Å; F576-D672 WeakPolarHBondContact CD1-OD1 3.31Å; F576-D672 HydrophobicContact CE1-CB 4.1Å; F576-D672 VanDerWaalsContact CE1-CG 3.45Å; F576-D672 VanDerWaalsContact CE1-OD1 3.31Å; F576-D672 WeakPolarHBondContact CE1-OD1 3.31Å; W654-D672 HydrophobicContact CE3-CB 4.22Å; W654-D672 HydrophobicContact CH2-CB 4.12Å; W654-D672 HydrophobicContact CZ3-CB 3.69Å; D672-S674 WeakPolarHBondContact OD1-CB 3.05Å; D672-S674 PolarHBondContact OD1-N 2.83Å; D672-S674 PolarHBondContact OD1-OG 3.24Å
673	H	95.3	Very high	95.7	Very high	36 Å²	36	39.4 Å²	39.4	17%	0.167	21%	0.205	C	C	.	.			trans	-123.1	26.6	174.8	-72.2	-82.8	0	0	0	111.6	K575 Y577 E675 D676 M677	K575-H673 PolarHBondContact O-N 3.01Å; Y577-H673 AromaticContact CD2-CD2 3.55Å; Y577-H673 HydrophobicContact CE2-CB 4.13Å; Y577-H673 AromaticContact CE2-CD2 3.74Å; H673-E675 VanDerWaalsContact C-N 3.3Å; H673-E675 PolarHBondContact O-N 2.78Å; H673-D676 HydrophobicContact CB-CB 4.3Å; H673-D676 IonicContact CE1-OD2 2.87Å; H673-D676 IonicContact CG-OD2 3.37Å; H673-D676 IonicContact ND1-OD2 3.2Å; H673-D676 PolarHBondContact ND1-OD2 3.32Å; H673-D676 PolarHBondContact O-N 3.22Å; H673-M677 HydrophobicContact CB-CE 3.55Å
674	S	95.1	Very high	95.9	Very high	7 Å²	7	35.8 Å²	35.8	5%	0.049	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-33.9	-178.6	-59	0	0	0	0	113.4	G574 K575 D672	G574-S674 WeakPolarHBondContact CA-OG 3.26Å; K575-S674 PolarHBondContact N-OG 3.23Å; D672-S674 WeakPolarHBondContact OD1-CB 3.05Å; D672-S674 PolarHBondContact OD1-N 2.83Å; D672-S674 PolarHBondContact OD1-OG 3.24Å
675	E	93.9	Very high	96	Very high	89 Å²	89	33.3 Å²	33.3	42%	0.416	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-10.6	179.4	-54.6	-154.2	170	0	0	114.3	R481 W502 H673 K738	R481-E675 IonicContact CZ-OE1 2.71Å; R481-E675 IonicContact NE-OE1 3.84Å; R481-E675 PolarHBondContact NE-OE1 3.08Å; R481-E675 IonicContact NH2-OE1 3.95Å; R481-E675 PolarHBondContact NH2-OE1 3.31Å; W502-E675 HydrophobicContact CH2-CG 3.91Å; W502-E675 HydrophobicContact CZ2-CG 3.88Å; H673-E675 VanDerWaalsContact C-N 3.3Å; H673-E675 PolarHBondContact O-N 2.78Å; E675-K738 PolarHBondContact O-NZ 2.95Å
676	D	94.7	Very high	96.2	Very high	68 Å²	68	34.7 Å²	34.7	36%	0.364	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-12.1	178.3	-64.8	-28.6	0	0	0	112.9	P631 H673 K738	P631-D676 HydrophobicContact CB-CB 4.06Å; P631-D676 HydrophobicContact CG-CB 4.39Å; H673-D676 HydrophobicContact CB-CB 4.3Å; H673-D676 IonicContact CE1-OD2 2.87Å; H673-D676 IonicContact CG-OD2 3.37Å; H673-D676 IonicContact ND1-OD2 3.2Å; H673-D676 PolarHBondContact ND1-OD2 3.32Å; H673-D676 PolarHBondContact O-N 3.22Å; D676-K738 WeakPolarHBondContact O-CB 3.4Å; D676-K738 PolarHBondContact O-N 3.23Å
677	M	95.4	Very high	96.3	Very high	3 Å²	3	33 Å²	33	2%	0.015	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	131.4	-174.9	-70.9	-178	-83.5	0	0	112.5	K575 Y577 P631 L632 Y642 H673 I736	K575-M677 HydrophobicContact CB-CE 4.11Å; K575-M677 HydrophobicContact CD-CB 3.76Å; K575-M677 HydrophobicContact CD-CE 4.22Å; K575-M677 WeakPolarHBondContact CE-O 3.35Å; Y577-M677 HydrophobicContact CE2-CE 4.03Å; P631-M677 HydrophobicContact CB-CG 4.14Å; P631-M677 WeakPolarHBondContact O-CE 3.42Å; L632-M677 HydrophobicContact CD2-SD 3.79Å; Y642-M677 HydrophobicContact CE2-CE 4.06Å; H673-M677 HydrophobicContact CB-CE 3.55Å; M677-I736 CarbonylContact C-O 3.6Å; M677-I736 WeakPolarHBondContact CA-O 3.34Å
678	G	97.7	Very high	96.6	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	162.6	159.3	0	0	0	0	0	111.4	S571 I736 C741	S571-G678 WeakPolarHBondContact OG-CA 3.3Å; G678-I736 PolarHBondContact N-O 2.93Å; G678-I736 PolarHBondContact O-N 2.96Å; G678-C741 VanDerWaalsContact CA-SG 3.59Å; G678-C741 PolarHBondContact N-SG 3.38Å; G678-C741 VanDerWaalsContact N-SG 3.44Å
679	M	97.9	Very high	96.8	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	125.3	174.1	-178	-172.9	171.3	0	0	109.4	N569 M570 S571 F573 E733 L734 H735	N569-M679 PolarHBondContact OD1-O 3.04Å; M570-M679 CarbonylContact C-O 3.53Å; M570-M679 HydrophobicContact CB-CB 4.42Å; M570-M679 HydrophobicContact CB-CE 4.07Å; M570-M679 HydrophobicContact CB-CG 4.01Å; M570-M679 HydrophobicContact CB-SD 3.81Å; M570-M679 HydrophobicContact CE-CE 4.03Å; M570-M679 PolarHBondContact N-O 3.44Å; M570-M679 HydrophobicContact SD-CE 4.2Å; S571-M679 PolarHBondContact N-O 3.46Å; S571-M679 PolarHBondContact OG-N 3.08Å; S571-M679 PolarHBondContact OG-O 2.94Å; F573-M679 HydrophobicContact CB-SD 4.05Å; F573-M679 HydrophobicContact CD1-SD 4.4Å; F573-M679 HydrophobicContact CG-SD 4.19Å; M679-E733 HydrophobicContact CE-CB 3.99Å; M679-E733 VanDerWaalsContact CE-CD 3.42Å; M679-E733 HydrophobicContact CE-CG 3.75Å; M679-E733 WeakPolarHBondContact CE-OE2 3.16Å; M679-L734 WeakPolarHBondContact CA-O 3.44Å; M679-H735 VanDerWaalsContact SD-CE1 3.58Å
680	I	98.6	Very high	97.1	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	141	171.9	56.6	174.1	0	0	0	110.5	F485 V567 F568 I682 E733 L734 I736	F485-I680 HydrophobicContact CD2-CG2 4.18Å; F485-I680 HydrophobicContact CE1-CG2 4.12Å; F485-I680 HydrophobicContact CE2-CG2 3.65Å; F485-I680 HydrophobicContact CZ-CG2 3.62Å; V567-I680 HydrophobicContact CG1-CB 4.17Å; V567-I680 HydrophobicContact CG1-CG2 4.46Å; F568-I680 CarbonylContact O-C 3.56Å; F568-I680 VanDerWaalsContact O-CA 3.28Å; F568-I680 WeakPolarHBondContact O-CA 3.49Å; I680-I682 HydrophobicContact CB-CD1 4.44Å; I680-I682 HydrophobicContact CD1-CD1 3.99Å; I680-I682 HydrophobicContact CG1-CD1 3.85Å; I680-E733 CarbonylContact O-C 3.6Å; I680-E733 WeakPolarHBondContact O-CA 3.08Å; I680-L734 HydrophobicContact CD1-CD1 4.48Å; I680-L734 HydrophobicContact CG1-CB 4.07Å; I680-L734 PolarHBondContact N-O 3.47Å; I680-L734 PolarHBondContact O-N 3.13Å; I680-I736 HydrophobicContact CD1-CD1 3.95Å; I680-I736 HydrophobicContact CG1-CD1 3.81Å
681	S	98.6	Very high	97.2	Very high	4 Å²	4	27.2 Å²	27.2	3%	0.028	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	119.7	177.5	-162.5	0	0	0	0	109.4	V567 F568 M570 Q683 E733	V567-S681 WeakPolarHBondContact CA-O 3.48Å; F568-S681 PolarHBondContact N-O 2.94Å; F568-S681 PolarHBondContact O-N 3.37Å; M570-S681 WeakPolarHBondContact SD-CB 3.21Å; S681-Q683 WeakPolarHBondContact OG-CG 3.45Å; S681-Q683 PolarHBondContact OG-NE2 3.03Å; S681-E733 VanDerWaalsContact OG-CG 3.27Å; S681-E733 WeakPolarHBondContact OG-CG 3.48Å
682	I	98.8	Very high	97.3	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	109.9	-177.8	-55.8	79.7	0	0	0	107.4	V565 A566 V567 I680 L691 G731 W732 L734 V748	V565-I682 HydrophobicContact CG2-CG2 3.62Å; A566-I682 WeakPolarHBondContact O-CA 3.37Å; V567-I682 HydrophobicContact CG2-CG1 4.23Å; I680-I682 HydrophobicContact CB-CD1 4.44Å; I680-I682 HydrophobicContact CD1-CD1 3.99Å; I680-I682 HydrophobicContact CG1-CD1 3.85Å; I682-L691 HydrophobicContact CB-CD1 4.15Å; I682-L691 HydrophobicContact CB-CD2 4.43Å; I682-L691 HydrophobicContact CB-CG 4.42Å; I682-L691 HydrophobicContact CD1-CD2 4.22Å; I682-L691 HydrophobicContact CG1-CD2 4.16Å; I682-L691 HydrophobicContact CG2-CD1 4.4Å; I682-L691 HydrophobicContact CG2-CG 4.3Å; I682-G731 CarbonylContact O-C 3.59Å; I682-G731 WeakPolarHBondContact O-CA 3.26Å; I682-W732 PolarHBondContact N-O 2.77Å; I682-W732 PolarHBondContact O-N 2.95Å; I682-L734 HydrophobicContact CD1-CD1 3.89Å; I682-L734 HydrophobicContact CD1-CG 3.85Å; I682-V748 HydrophobicContact CG1-CG1 3.81Å
683	Q	98.6	Very high	97.4	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	138.6	-163	-60.3	-72	-28	0	0	111.7	V565 A566 F568 S681 L724 S725 V727 E729	V565-Q683 CarbonylContact C-O 3.52Å; V565-Q683 WeakPolarHBondContact CA-O 3.46Å; A566-Q683 PolarHBondContact N-O 3.49Å; A566-Q683 PolarHBondContact O-N 2.89Å; F568-Q683 HydrophobicContact CD2-CG 4.39Å; F568-Q683 HydrophobicContact CE2-CB 4.17Å; F568-Q683 HydrophobicContact CE2-CG 4.46Å; S681-Q683 WeakPolarHBondContact OG-CG 3.45Å; S681-Q683 PolarHBondContact OG-NE2 3.03Å; Q683-L724 PolarHBondContact NE2-O 3.23Å; Q683-S725 PolarHBondContact OE1-OG 2.86Å; Q683-V727 HydrophobicContact CB-CG2 3.5Å; Q683-V727 VanDerWaalsContact CB-CG2 3.5Å; Q683-V727 HydrophobicContact CG-CG2 3.65Å; Q683-E729 PolarHBondContact OE1-O 3.02Å
684	G	98.4	Very high	97.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.147	C	C	.	.	S	Bend	trans	135.6	166.7	179.7	0	0	0	0	0	112.5	C561 D564 K686 S687 L730	C561-G684 WeakPolarHBondContact O-CA 3.12Å; D564-G684 CarbonylContact O-C 3.47Å; G684-K686 PolarHBondContact O-N 2.81Å; G684-K686 VanDerWaalsContact O-N 3.13Å; G684-S687 VanDerWaalsContact O-CB 3.25Å; G684-S687 WeakPolarHBondContact O-CB 3.28Å; G684-S687 PolarHBondContact O-N 2.76Å; G684-S687 PolarHBondContact O-OG 3.09Å; G684-L730 CarbonylContact C-O 3.59Å; G684-L730 PolarHBondContact N-O 3.24Å
685	P	97.8	Very high	97.7	Very high	35 Å²	35	30.7 Å²	30.7	23%	0.227	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-31	-178.5	20.9	-33.6	0	0	0	114.4	C561 H563 D564 Y915	C561-P685 WeakPolarHBondContact O-CD 3.39Å; H563-P685 WeakPolarHBondContact O-CG 3.33Å; D564-P685 VanDerWaalsContact O-CD 3.23Å; D564-P685 WeakPolarHBondContact O-CD 3.21Å; P685-Y915 WeakPolarHBondContact CA-OH 3.49Å; P685-Y915 HydrophobicContact CB-CE1 3.94Å; P685-Y915 HydrophobicContact CB-CE2 3.93Å
686	K	98.3	Very high	97.8	Very high	62 Å²	62	31.3 Å²	31.3	27%	0.27	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-4.2	179.5	-61.1	177.7	178.8	171.2	0	114	D564 V565 G684 R688 Q689 V690 H755	D564-K686 HydrophobicContact CB-CD 4.22Å; D564-K686 WeakPolarHBondContact O-CB 3.47Å; D564-K686 PolarHBondContact O-N 3.24Å; D564-K686 VanDerWaalsContact OD1-CE 3.23Å; D564-K686 WeakPolarHBondContact OD1-CE 3.26Å; D564-K686 IonicContact OD1-NZ 3.85Å; D564-K686 PolarHBondContact OD1-NZ 3.36Å; V565-K686 HydrophobicContact CB-CB 4.19Å; V565-K686 HydrophobicContact CG1-CB 4.16Å; G684-K686 PolarHBondContact O-N 2.81Å; G684-K686 VanDerWaalsContact O-N 3.13Å; K686-R688 VanDerWaalsContact C-N 3.31Å; K686-R688 PolarHBondContact O-N 3.37Å; K686-Q689 WeakPolarHBondContact O-CB 3.44Å; K686-Q689 PolarHBondContact O-N 3.06Å; K686-V690 PolarHBondContact O-N 3.08Å; K686-V690 VanDerWaalsContact O-N 3.17Å; K686-H755 HydrophobicContact CB-CB 4.42Å; K686-H755 HydrophobicContact CD-CB 3.97Å; K686-H755 WeakPolarHBondContact CD-O 3.33Å; K686-H755 PolarHBondContact NZ-O 3.22Å
687	S	98.4	Very high	97.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-53.9	-42.2	-175.5	61.9	0	0	0	0	113.7	G684 Q689 V690 L691 L730	G684-S687 VanDerWaalsContact O-CB 3.25Å; G684-S687 WeakPolarHBondContact O-CB 3.28Å; G684-S687 PolarHBondContact O-N 2.76Å; G684-S687 PolarHBondContact O-OG 3.09Å; S687-Q689 PolarHBondContact O-N 3.3Å; S687-V690 PolarHBondContact O-N 2.75Å; S687-L691 WeakPolarHBondContact O-CB 3.18Å; S687-L691 WeakPolarHBondContact O-CG 3.43Å; S687-L691 PolarHBondContact O-N 2.99Å; S687-L730 PolarHBondContact OG-O 2.86Å
688	R	98.1	Very high	98	Very high	62 Å²	62	32.7 Å²	32.7	23%	0.234	16%	0.163	C	C	.	.	H	α-helix	trans	-61.5	-43.5	176.3	-173.9	-172.6	-69.8	116.3	-5.6	112.1	K686 L691 Q692 L699 N701 L730 W732	K686-R688 VanDerWaalsContact C-N 3.31Å; K686-R688 PolarHBondContact O-N 3.37Å; R688-L691 PolarHBondContact O-N 3.32Å; R688-Q692 VanDerWaalsContact O-CB 3.27Å; R688-Q692 WeakPolarHBondContact O-CB 3.44Å; R688-Q692 PolarHBondContact O-N 2.8Å; R688-L699 WeakPolarHBondContact CD-O 3.47Å; R688-L699 HydrophobicContact CG-CB 3.83Å; R688-L699 PolarHBondContact NE-O 3.39Å; R688-N701 PolarHBondContact NH2-OD1 2.93Å; R688-L730 HydrophobicContact CB-CD2 4.07Å; R688-W732 HydrophobicContact CB-CH2 3.86Å; R688-W732 HydrophobicContact CB-CZ3 3.81Å; R688-W732 HydrophobicContact CG-CH2 3.91Å; R688-W732 HydrophobicContact CG-CZ3 4.33Å
689	Q	97.6	Very high	98	Very high	110 Å²	110	32.7 Å²	32.7	51%	0.514	16%	0.163	S	C	.	.	H	α-helix	trans	-62.6	-46.8	-178.7	-64.4	176.9	-8.8	0	0	110.2	K686 S687 H755	K686-Q689 WeakPolarHBondContact O-CB 3.44Å; K686-Q689 PolarHBondContact O-N 3.06Å; S687-Q689 PolarHBondContact O-N 3.3Å; Q689-H755 PolarHBondContact OE1-CE1 2.77Å; Q689-H755 VanDerWaalsContact OE1-CE1 3.29Å; Q689-H755 PolarHBondContact OE1-ND1 2.81Å
690	V	98.5	Very high	97.9	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-61.8	-50.3	177	176.7	0	0	0	0	112	V565 K686 S687 Q692 E693 V748 A751 H755 I757	V565-V690 HydrophobicContact CG1-CG2 4.12Å; K686-V690 PolarHBondContact O-N 3.08Å; K686-V690 VanDerWaalsContact O-N 3.17Å; S687-V690 PolarHBondContact O-N 2.75Å; V690-Q692 VanDerWaalsContact C-N 3.3Å; V690-Q692 PolarHBondContact O-N 2.86Å; V690-E693 PolarHBondContact O-N 3.41Å; V690-V748 HydrophobicContact CG1-CG1 4.46Å; V690-A751 HydrophobicContact CG1-CB 4.12Å; V690-H755 HydrophobicContact CG2-CB 3.98Å; V690-I757 HydrophobicContact CG1-CD1 4.11Å
691	L	98.5	Very high	97.8	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-70.1	-26.4	-175.8	-72.8	174.3	0	0	0	113	I682 S687 R688 E693 V694 L695 L699 W732 L734 V748	I682-L691 HydrophobicContact CB-CD1 4.15Å; I682-L691 HydrophobicContact CB-CD2 4.43Å; I682-L691 HydrophobicContact CB-CG 4.42Å; I682-L691 HydrophobicContact CD1-CD2 4.22Å; I682-L691 HydrophobicContact CG1-CD2 4.16Å; I682-L691 HydrophobicContact CG2-CD1 4.4Å; I682-L691 HydrophobicContact CG2-CG 4.3Å; S687-L691 WeakPolarHBondContact O-CB 3.18Å; S687-L691 WeakPolarHBondContact O-CG 3.43Å; S687-L691 PolarHBondContact O-N 2.99Å; R688-L691 PolarHBondContact O-N 3.32Å; L691-E693 PolarHBondContact O-N 3Å; L691-V694 PolarHBondContact O-N 2.84Å; L691-L695 HydrophobicContact CB-CD1 4.11Å; L691-L695 HydrophobicContact CB-CG 4.37Å; L691-L695 HydrophobicContact CD2-CD1 4.37Å; L691-L695 HydrophobicContact CD2-CG 4.48Å; L691-L695 WeakPolarHBondContact O-CB 3.32Å; L691-L695 WeakPolarHBondContact O-CG 3.28Å; L691-L695 PolarHBondContact O-N 3.49Å; L691-L699 HydrophobicContact CB-CD1 3.51Å; L691-W732 HydrophobicContact CD1-CB 3.79Å; L691-W732 HydrophobicContact CD1-CD2 4Å; L691-W732 HydrophobicContact CD1-CE3 3.64Å; L691-W732 HydrophobicContact CD1-CG 4.11Å; L691-L734 HydrophobicContact CD2-CD1 4.05Å; L691-V748 HydrophobicContact CD2-CG2 4.19Å
692	Q	97.9	Very high	97.6	Very high	79 Å²	79	44 Å²	44	37%	0.369	22%	0.22	S	C	.	.	H	α-helix	trans	-66.7	-21.2	178	-166.4	61.1	83.2	0	0	112.8	R688 V690 A697 L699	R688-Q692 VanDerWaalsContact O-CB 3.27Å; R688-Q692 WeakPolarHBondContact O-CB 3.44Å; R688-Q692 PolarHBondContact O-N 2.8Å; V690-Q692 VanDerWaalsContact C-N 3.3Å; V690-Q692 PolarHBondContact O-N 2.86Å; Q692-A697 PolarHBondContact NE2-O 3.39Å; Q692-A697 PolarHBondContact OE1-O 3.43Å; Q692-L699 HydrophobicContact CB-CD1 4.3Å; Q692-L699 VanDerWaalsContact OE1-N 3.12Å
693	E	97.4	Very high	97.6	Very high	109 Å²	109	45.7 Å²	45.7	51%	0.509	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-11.8	173.5	-66.2	179	-155	0	0	113.3	V690 L691 A751 K754	V690-E693 PolarHBondContact O-N 3.41Å; L691-E693 PolarHBondContact O-N 3Å; E693-A751 HydrophobicContact CB-CB 4.16Å; E693-K754 WeakPolarHBondContact OE1-CE 3.34Å; E693-K754 IonicContact OE1-NZ 2.73Å; E693-K754 PolarHBondContact OE1-NZ 3.14Å; E693-K754 IonicContact OE2-NZ 3.44Å; E693-K754 PolarHBondContact OE2-NZ 3.29Å
694	V	98.1	Very high	97.5	Very high	15 Å²	15	45.7 Å²	45.7	9%	0.091	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.2	-33.3	-174.5	-178.3	0	0	0	0	112.3	L691 A714 A715 A747 V748 A751	L691-V694 PolarHBondContact O-N 2.84Å; V694-A714 HydrophobicContact CG1-CB 4.24Å; V694-A714 WeakPolarHBondContact O-CA 3.47Å; V694-A715 PolarHBondContact O-N 2.9Å; V694-A747 HydrophobicContact CG1-CB 4.16Å; V694-V748 HydrophobicContact CG1-CG2 4.11Å; V694-V748 HydrophobicContact CG2-CG2 4.43Å; V694-A751 HydrophobicContact CG2-CB 3.76Å
695	L	98.1	Very high	97.4	Very high	7 Å²	7	48.3 Å²	48.3	4%	0.037	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-100.7	137.2	-175	-56.3	-175.4	0	0	0	112.1	L691 A697 L699 V712 N713 A714 V719 A721 L734	L691-L695 HydrophobicContact CB-CD1 4.11Å; L691-L695 HydrophobicContact CB-CG 4.37Å; L691-L695 HydrophobicContact CD2-CD1 4.37Å; L691-L695 HydrophobicContact CD2-CG 4.48Å; L691-L695 WeakPolarHBondContact O-CB 3.32Å; L691-L695 WeakPolarHBondContact O-CG 3.28Å; L691-L695 PolarHBondContact O-N 3.49Å; L695-A697 PolarHBondContact O-N 2.74Å; L695-A697 VanDerWaalsContact O-N 3.09Å; L695-L699 HydrophobicContact CD1-CD1 4.14Å; L695-L699 HydrophobicContact CD1-CD2 4.02Å; L695-V712 HydrophobicContact CD2-CG2 4.1Å; L695-N713 WeakPolarHBondContact CA-O 3.38Å; L695-A714 HydrophobicContact CD2-CB 3.48Å; L695-A714 VanDerWaalsContact CD2-CB 3.48Å; L695-V719 HydrophobicContact CD2-CG2 4.42Å; L695-A721 HydrophobicContact CD1-CB 4.46Å; L695-L734 HydrophobicContact CD1-CD2 4.24Å; L695-L734 HydrophobicContact CD2-CD1 4.45Å; L695-L734 HydrophobicContact CD2-CD2 4.36Å
696	D	96.3	Very high	97.4	Very high	101 Å²	101	50 Å²	50	54%	0.54	26%	0.255	S	S	.	.	S	Bend	trans	-79.8	25.3	176.9	73.9	-17.7	0	0	0	114.8	N713	D696-N713 HydrophobicContact CB-CB 4.45Å; D696-N713 PolarHBondContact N-O 2.8Å; D696-N713 PolarHBondContact OD1-N 3.28Å; D696-N713 WeakPolarHBondContact OD2-CB 3.27Å; D696-N713 PolarHBondContact OD2-ND2 3.23Å
697	A	96.4	Very high	97.3	Very high	15 Å²	15	48.9 Å²	48.9	12%	0.124	25%	0.254	C	S	.	.	S	Bend	trans	-129.3	146.8	-174.9	0	0	0	0	0	112.2	Q692 L695 L699 V712	Q692-A697 PolarHBondContact NE2-O 3.39Å; Q692-A697 PolarHBondContact OE1-O 3.43Å; L695-A697 PolarHBondContact O-N 2.74Å; L695-A697 VanDerWaalsContact O-N 3.09Å; A697-L699 PolarHBondContact O-N 3.05Å; A697-V712 HydrophobicContact CB-CB 4.29Å; A697-V712 HydrophobicContact CB-CG1 3.6Å
698	D	97.7	Very high	97.3	Very high	86 Å²	86	49.8 Å²	49.8	46%	0.46	26%	0.26	S	S	.	.			trans	-67	121.7	168.8	179.3	10.8	0	0	0	110.4	S700 A703	D698-S700 WeakPolarHBondContact OD1-CB 3.42Å; D698-S700 PolarHBondContact OD1-N 3.26Å; D698-S700 PolarHBondContact OD1-OG 3.48Å; D698-S700 VanDerWaalsContact OD1-OG 3.06Å; D698-S700 PolarHBondContact OD2-OG 2.96Å; D698-A703 HydrophobicContact CB-CB 3.78Å; D698-A703 WeakPolarHBondContact OD2-CB 3.39Å
699	L	97.8	Very high	97.3	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.252	C	S	.	.			trans	-100.5	13.5	-179.9	-52.7	-174.6	0	0	0	113.3	R688 L691 Q692 L695 A697 F704 W732	R688-L699 WeakPolarHBondContact CD-O 3.47Å; R688-L699 HydrophobicContact CG-CB 3.83Å; R688-L699 PolarHBondContact NE-O 3.39Å; L691-L699 HydrophobicContact CB-CD1 3.51Å; Q692-L699 HydrophobicContact CB-CD1 4.3Å; Q692-L699 VanDerWaalsContact OE1-N 3.12Å; L695-L699 HydrophobicContact CD1-CD1 4.14Å; L695-L699 HydrophobicContact CD1-CD2 4.02Å; A697-L699 PolarHBondContact O-N 3.05Å; L699-F704 HydrophobicContact CD2-CD2 3.78Å; L699-F704 HydrophobicContact CD2-CE2 4.28Å; L699-W732 HydrophobicContact CB-CH2 4.02Å; L699-W732 HydrophobicContact CB-CZ2 3.8Å; L699-W732 HydrophobicContact CD2-CZ2 4.32Å; L699-W732 HydrophobicContact CG-CZ2 4.45Å
700	S	96.7	Very high	97.3	Very high	28 Å²	28	45.5 Å²	45.5	20%	0.196	24%	0.242	C	C	.	.	S	Bend	trans	-55.4	162.2	169.9	68.3	0	0	0	0	112.4	D698 E702 A703 F704	D698-S700 WeakPolarHBondContact OD1-CB 3.42Å; D698-S700 PolarHBondContact OD1-N 3.26Å; D698-S700 PolarHBondContact OD1-OG 3.48Å; D698-S700 VanDerWaalsContact OD1-OG 3.06Å; D698-S700 PolarHBondContact OD2-OG 2.96Å; S700-E702 PolarHBondContact O-N 3.48Å; S700-A703 WeakPolarHBondContact OG-CB 2.98Å; S700-A703 PolarHBondContact OG-N 3.26Å; S700-A703 VanDerWaalsContact OG-N 3.07Å; S700-F704 CarbonylContact O-C 3.6Å; S700-F704 PolarHBondContact O-N 3.34Å
701	N	95.4	Very high	97.1	Very high	57 Å²	57	48.9 Å²	48.9	31%	0.305	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-29.6	179.7	-83	-20.1	0	0	0	112.1	R688 P705 R723 K912	R688-N701 PolarHBondContact NH2-OD1 2.93Å; N701-P705 WeakPolarHBondContact O-CA 3.46Å; N701-R723 VanDerWaalsContact OD1-CZ 3.23Å; N701-R723 PolarHBondContact OD1-NH1 3.25Å; N701-R723 PolarHBondContact OD1-NH2 3.45Å; N701-K912 PolarHBondContact ND2-O 3.32Å; N701-K912 PolarHBondContact OD1-O 3.1Å; N701-K912 VanDerWaalsContact OD1-O 3.13Å
702	E	95.7	Very high	97	Very high	157 Å²	157	49.3 Å²	49.3	73%	0.734	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-48.8	-176.7	-62.2	63.3	-141.7	0	0	110.2	S700	S700-E702 PolarHBondContact O-N 3.48Å
703	A	97.1	Very high	97	Very high	36 Å²	36	48.7 Å²	48.7	30%	0.298	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-33.7	179.7	0	0	0	0	0	113.2	D698 S700 K710	D698-A703 HydrophobicContact CB-CB 3.78Å; D698-A703 WeakPolarHBondContact OD2-CB 3.39Å; S700-A703 WeakPolarHBondContact OG-CB 2.98Å; S700-A703 PolarHBondContact OG-N 3.26Å; S700-A703 VanDerWaalsContact OG-N 3.07Å; A703-K710 WeakPolarHBondContact O-CE 3.19Å; A703-K710 PolarHBondContact O-NZ 2.7Å
704	F	97.8	Very high	97	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.237	C	C	.	.	S	Bend	trans	-127.6	75.8	179.5	-148.4	-40	0	0	0	111.4	L699 S700 T708 K710 A721 R723 W732	L699-F704 HydrophobicContact CD2-CD2 3.78Å; L699-F704 HydrophobicContact CD2-CE2 4.28Å; S700-F704 CarbonylContact O-C 3.6Å; S700-F704 PolarHBondContact O-N 3.34Å; F704-T708 WeakPolarHBondContact CD1-OG1 3.29Å; F704-K710 HydrophobicContact CD2-CD 3.96Å; F704-K710 HydrophobicContact CD2-CG 4.47Å; F704-K710 HydrophobicContact CE1-CG 4.5Å; F704-K710 HydrophobicContact CE2-CB 4.09Å; F704-K710 HydrophobicContact CE2-CD 3.85Å; F704-K710 HydrophobicContact CE2-CG 3.96Å; F704-K710 HydrophobicContact CZ-CB 4.12Å; F704-K710 HydrophobicContact CZ-CD 4.34Å; F704-K710 HydrophobicContact CZ-CG 3.97Å; F704-A721 HydrophobicContact CE2-CB 4.19Å; F704-A721 HydrophobicContact CZ-CB 4.1Å; F704-A721 WeakPolarHBondContact CZ-O 3.41Å; F704-R723 HydrophobicContact CD1-CB 3.79Å; F704-R723 HydrophobicContact CE1-CB 3.74Å; F704-R723 WeakPolarHBondContact O-CD 3.32Å; F704-R723 PolarHBondContact O-NH1 3.27Å; F704-W732 AromaticContact CD1-NE1 3.71Å; F704-W732 AromaticContact CD2-NE1 3.73Å; F704-W732 AromaticContact CE1-NE1 3.73Å; F704-W732 AromaticContact CE2-NE1 3.73Å; F704-W732 AromaticContact CG-NE1 3.73Å; F704-W732 AromaticContact CZ-CD1 3.88Å; F704-W732 AromaticContact CZ-NE1 3.74Å
705	P	96.8	Very high	96.9	Very high	56 Å²	56	45.1 Å²	45.1	36%	0.364	25%	0.252	S	S	.	.			trans	-61.3	153.6	179.5	-23	34.5	0	0	0	113.1	N701 T708	N701-P705 WeakPolarHBondContact O-CA 3.46Å; P705-T708 HydrophobicContact CB-CG2 4.19Å; P705-T708 PolarHBondContact O-OG1 3.25Å
706	F	97.1	Very high	96.7	Very high	71 Å²	71	48 Å²	48	31%	0.311	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	147	171.4	-179	-96.8	0	0	0	111.3	L724 V911	F706-L724 HydrophobicContact CZ-CD2 4.36Å; F706-V911 HydrophobicContact CD2-CB 4.29Å; F706-V911 HydrophobicContact CE2-CB 3.87Å; F706-V911 HydrophobicContact CE2-CG2 4.18Å; F706-V911 HydrophobicContact CZ-CB 4.41Å; F706-V911 HydrophobicContact CZ-CG2 4.33Å
707	S	96.9	Very high	96.7	Very high	37 Å²	37	48 Å²	48	26%	0.259	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.3	33.6	-176.8	-138.9	0	0	0	0	114.1	T602 R723	T602-S707 PolarHBondContact N-O 2.96Å; T602-S707 PolarHBondContact O-OG 2.84Å; S707-R723 PolarHBondContact N-O 3.37Å
708	T	98.1	Very high	96.7	Very high	20 Å²	20	50.8 Å²	50.8	12%	0.123	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-129	166.3	172	68.7	0	0	0	0	111.1	G600 F704 P705 R723	G600-T708 CarbonylContact O-C 3.36Å; G600-T708 VanDerWaalsContact O-CA 3.26Å; G600-T708 WeakPolarHBondContact O-CA 3.45Å; G600-T708 WeakPolarHBondContact O-CB 3.27Å; F704-T708 WeakPolarHBondContact CD1-OG1 3.29Å; P705-T708 HydrophobicContact CB-CG2 4.19Å; P705-T708 PolarHBondContact O-OG1 3.25Å; T708-R723 PolarHBondContact O-N 3.27Å
709	H	97.9	Very high	96.7	Very high	12 Å²	12	46.7 Å²	46.7	6%	0.056	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	161.2	172.6	74.3	18.4	0	0	0	111.9	G600 S621 R720 A721 M722	G600-H709 WeakPolarHBondContact CA-ND1 3.34Å; G600-H709 PolarHBondContact O-N 3.44Å; S621-H709 WeakPolarHBondContact CB-CD2 3.09Å; S621-H709 VanDerWaalsContact CB-NE2 3.32Å; S621-H709 WeakPolarHBondContact CB-NE2 3.43Å; S621-H709 PolarHBondContact OG-CD2 2.74Å; H709-R720 HydrophobicContact CB-CG 4.45Å; H709-R720 PolarHBondContact CD2-NH1 2.53Å; H709-R720 VanDerWaalsContact CD2-NH1 3.33Å; H709-R720 PolarHBondContact CE1-NH1 2.91Å; H709-R720 PolarHBondContact NE2-NH1 2.69Å; H709-A721 CarbonylContact C-O 3.15Å; H709-A721 WeakPolarHBondContact CA-O 3.45Å; H709-A721 VanDerWaalsContact CB-O 3.25Å; H709-A721 WeakPolarHBondContact CB-O 3.45Å; H709-M722 HydrophobicContact CB-CB 4.19Å; H709-M722 HydrophobicContact CB-CG 3.71Å; H709-M722 HydrophobicContact CB-SD 4.27Å
710	K	96.6	Very high	96.7	Very high	70 Å²	70	47.2 Å²	47.2	30%	0.304	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	152.2	171.5	-62.4	-176.8	-173.1	176.4	0	110.3	A703 F704 V712 R720 A721	A703-K710 WeakPolarHBondContact O-CE 3.19Å; A703-K710 PolarHBondContact O-NZ 2.7Å; F704-K710 HydrophobicContact CD2-CD 3.96Å; F704-K710 HydrophobicContact CD2-CG 4.47Å; F704-K710 HydrophobicContact CE1-CG 4.5Å; F704-K710 HydrophobicContact CE2-CB 4.09Å; F704-K710 HydrophobicContact CE2-CD 3.85Å; F704-K710 HydrophobicContact CE2-CG 3.96Å; F704-K710 HydrophobicContact CZ-CB 4.12Å; F704-K710 HydrophobicContact CZ-CD 4.34Å; F704-K710 HydrophobicContact CZ-CG 3.97Å; K710-V712 HydrophobicContact CB-CG1 3.75Å; K710-R720 WeakPolarHBondContact O-CA 3.31Å; K710-A721 PolarHBondContact N-O 3.44Å; K710-A721 PolarHBondContact O-N 3.03Å
711	L	95.4	Very high	96.8	Very high	71 Å²	71	45.9 Å²	45.9	37%	0.372	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	127.7	156.8	-63.9	-177.7	0	0	0	107.5	L632 A633 V719 R720	L632-L711 HydrophobicContact CB-CD2 4.08Å; L632-L711 HydrophobicContact CD1-CD2 4.28Å; A633-L711 HydrophobicContact CB-CD1 4.32Å; L711-V719 WeakPolarHBondContact CA-O 3.45Å; L711-R720 HydrophobicContact CD2-CB 3.76Å; L711-R720 HydrophobicContact CD2-CG 4.28Å
712	V	96.6	Very high	96.9	Very high	9 Å²	9	43.1 Å²	43.1	6%	0.055	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	162.7	-175.6	-59.5	0	0	0	0	108.5	L695 A697 K710 Q718 V719 A721	L695-V712 HydrophobicContact CD2-CG2 4.1Å; A697-V712 HydrophobicContact CB-CB 4.29Å; A697-V712 HydrophobicContact CB-CG1 3.6Å; K710-V712 HydrophobicContact CB-CG1 3.75Å; V712-Q718 WeakPolarHBondContact O-CA 3.45Å; V712-V719 HydrophobicContact CG2-CG2 3.67Å; V712-V719 PolarHBondContact N-O 2.96Å; V712-V719 PolarHBondContact O-N 3.27Å; V712-A721 HydrophobicContact CG2-CB 3.82Å
713	N	97.6	Very high	97	Very high	65 Å²	65	35.8 Å²	35.8	35%	0.348	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	128.8	169.2	-58	-65.1	0	0	0	110.3	L695 D696 Y717	L695-N713 WeakPolarHBondContact CA-O 3.38Å; D696-N713 HydrophobicContact CB-CB 4.45Å; D696-N713 PolarHBondContact N-O 2.8Å; D696-N713 PolarHBondContact OD1-N 3.28Å; D696-N713 WeakPolarHBondContact OD2-CB 3.27Å; D696-N713 PolarHBondContact OD2-ND2 3.23Å; N713-Y717 CarbonylContact C-O 3.59Å; N713-Y717 VanDerWaalsContact CA-O 3.31Å; N713-Y717 WeakPolarHBondContact CA-O 3.43Å
714	A	97.6	Very high	97	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	117.6	169.3	0	0	0	0	0	108.6	V694 L695 G716 Y717 V719 V744	V694-A714 HydrophobicContact CG1-CB 4.24Å; V694-A714 WeakPolarHBondContact O-CA 3.47Å; L695-A714 HydrophobicContact CD2-CB 3.48Å; L695-A714 VanDerWaalsContact CD2-CB 3.48Å; A714-G716 PolarHBondContact O-N 3.24Å; A714-G716 VanDerWaalsContact O-N 3.08Å; A714-Y717 PolarHBondContact N-O 3.01Å; A714-Y717 PolarHBondContact O-N 2.98Å; A714-V719 HydrophobicContact CB-CB 4.46Å; A714-V719 HydrophobicContact CB-CG1 3.79Å; A714-V719 HydrophobicContact CB-CG2 3.75Å; A714-V744 HydrophobicContact CB-CG1 3.81Å; A714-V744 HydrophobicContact CB-CG2 3.96Å
715	A	94.8	Very high	96.9	Very high	49 Å²	49	35.3 Å²	35.3	41%	0.405	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.8	35.3	-179.4	0	0	0	0	0	114.7	V694 Y717 A747	V694-A715 PolarHBondContact O-N 2.9Å; A715-Y717 WeakPolarHBondContact O-CD2 3.4Å; A715-A747 HydrophobicContact CB-CB 3.55Å
716	G	95.1	Very high	96.8	Very high	69 Å²	69	35.1 Å²	35.1	71%	0.711	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.1	-1.4	-178.2	0	0	0	0	0	116	A714	A714-G716 PolarHBondContact O-N 3.24Å; A714-G716 VanDerWaalsContact O-N 3.08Å
717	Y	96.7	Very high	96.9	Very high	99 Å²	99	32 Å²	32	39%	0.388	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	136.4	178.8	-59.2	-86.2	0	0	0	111.4	N713 A714 A715 V719 S740 P743 V744	N713-Y717 CarbonylContact C-O 3.59Å; N713-Y717 VanDerWaalsContact CA-O 3.31Å; N713-Y717 WeakPolarHBondContact CA-O 3.43Å; A714-Y717 PolarHBondContact N-O 3.01Å; A714-Y717 PolarHBondContact O-N 2.98Å; A715-Y717 WeakPolarHBondContact O-CD2 3.4Å; Y717-V719 PolarHBondContact O-N 3.45Å; Y717-S740 WeakPolarHBondContact CD1-OG 3.46Å; Y717-P743 HydrophobicContact CD2-CB 4.14Å; Y717-P743 HydrophobicContact CE2-CB 3.48Å; Y717-P743 VanDerWaalsContact CE2-CB 3.48Å; Y717-P743 HydrophobicContact CE2-CG 4.18Å; Y717-V744 HydrophobicContact CD2-CG2 4.18Å; Y717-V744 HydrophobicContact CG-CG2 4.47Å
718	Q	96.1	Very high	96.9	Very high	75 Å²	75	30.2 Å²	30.2	35%	0.35	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	132.9	175.9	-169.6	178	93.9	0	0	111	L632 V712 P737	L632-Q718 HydrophobicContact CD1-CB 4.33Å; L632-Q718 HydrophobicContact CD1-CG 3.94Å; L632-Q718 WeakPolarHBondContact CD1-O 3.31Å; V712-Q718 WeakPolarHBondContact O-CA 3.45Å; Q718-P737 WeakPolarHBondContact O-CD 3.31Å
719	V	97.1	Very high	96.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	158.9	176.8	-54.5	0	0	0	0	110.3	L695 L711 V712 A714 Y717 L734 I736 V744	L695-V719 HydrophobicContact CD2-CG2 4.42Å; L711-V719 WeakPolarHBondContact CA-O 3.45Å; V712-V719 HydrophobicContact CG2-CG2 3.67Å; V712-V719 PolarHBondContact N-O 2.96Å; V712-V719 PolarHBondContact O-N 3.27Å; A714-V719 HydrophobicContact CB-CB 4.46Å; A714-V719 HydrophobicContact CB-CG1 3.79Å; A714-V719 HydrophobicContact CB-CG2 3.75Å; Y717-V719 PolarHBondContact O-N 3.45Å; V719-L734 HydrophobicContact CG2-CD2 4.41Å; V719-I736 HydrophobicContact CB-CG1 4.33Å; V719-I736 HydrophobicContact CG1-CB 4.27Å; V719-I736 HydrophobicContact CG1-CG1 3.84Å; V719-I736 HydrophobicContact CG1-CG2 4Å; V719-V744 HydrophobicContact CG1-CG2 4.19Å
720	R	97.4	Very high	96.9	Very high	10 Å²	10	28.7 Å²	28.7	4%	0.038	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	107.5	165.3	-179.7	179.3	-62.8	-73.7	-3.6	108.7	L632 H709 K710 L711 M722 H735	L632-R720 HydrophobicContact CD2-CB 3.98Å; L632-R720 PolarHBondContact O-NH2 2.95Å; H709-R720 HydrophobicContact CB-CG 4.45Å; H709-R720 PolarHBondContact CD2-NH1 2.53Å; H709-R720 VanDerWaalsContact CD2-NH1 3.33Å; H709-R720 PolarHBondContact CE1-NH1 2.91Å; H709-R720 PolarHBondContact NE2-NH1 2.69Å; K710-R720 WeakPolarHBondContact O-CA 3.31Å; L711-R720 HydrophobicContact CD2-CB 3.76Å; L711-R720 HydrophobicContact CD2-CG 4.28Å; R720-M722 HydrophobicContact CG-CE 4.32Å; R720-M722 HydrophobicContact CG-CG 4.4Å; R720-H735 HydrophobicContact CB-CB 4.24Å; R720-H735 PolarHBondContact N-O 3.09Å; R720-H735 PolarHBondContact O-N 3.33Å
721	A	98.4	Very high	97	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	131.8	171.5	0	0	0	0	0	109.7	L695 F704 H709 K710 V712 E733 L734	L695-A721 HydrophobicContact CD1-CB 4.46Å; F704-A721 HydrophobicContact CE2-CB 4.19Å; F704-A721 HydrophobicContact CZ-CB 4.1Å; F704-A721 WeakPolarHBondContact CZ-O 3.41Å; H709-A721 CarbonylContact C-O 3.15Å; H709-A721 WeakPolarHBondContact CA-O 3.45Å; H709-A721 VanDerWaalsContact CB-O 3.25Å; H709-A721 WeakPolarHBondContact CB-O 3.45Å; K710-A721 PolarHBondContact N-O 3.44Å; K710-A721 PolarHBondContact O-N 3.03Å; V712-A721 HydrophobicContact CG2-CB 3.82Å; A721-E733 CarbonylContact C-O 3.47Å; A721-E733 WeakPolarHBondContact CA-O 3.45Å; A721-L734 HydrophobicContact CB-CD2 3.64Å
722	M	98.4	Very high	97.1	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	131.8	174	-53.4	-148.3	-164.3	0	0	110.5	T602 Y642 H709 R720 L724 W732 E733	T602-M722 HydrophobicContact CG2-SD 4.18Å; Y642-M722 HydrophobicContact CD1-CE 3.39Å; Y642-M722 HydrophobicContact CE1-CE 3.36Å; H709-M722 HydrophobicContact CB-CB 4.19Å; H709-M722 HydrophobicContact CB-CG 3.71Å; H709-M722 HydrophobicContact CB-SD 4.27Å; R720-M722 HydrophobicContact CG-CE 4.32Å; R720-M722 HydrophobicContact CG-CG 4.4Å; M722-L724 HydrophobicContact CB-CD1 4.37Å; M722-L724 PolarHBondContact O-N 3.37Å; M722-L724 HydrophobicContact SD-CD1 4.36Å; M722-W732 CarbonylContact O-C 3.49Å; M722-W732 WeakPolarHBondContact O-CA 3.35Å; M722-W732 WeakPolarHBondContact O-CB 3.46Å; M722-E733 HydrophobicContact CB-CB 4.4Å; M722-E733 PolarHBondContact N-O 3.18Å; M722-E733 PolarHBondContact O-N 3.32Å
723	R	98.2	Very high	97.2	Very high	3 Å²	3	22.2 Å²	22.2	1%	0.011	13%	0.131	C	C	.	.			trans	-91.7	86.7	177.9	-166.6	179.5	166.2	-170.8	-3.3	111.1	N701 F704 S707 T708 L730 W732 K912	N701-R723 VanDerWaalsContact OD1-CZ 3.23Å; N701-R723 PolarHBondContact OD1-NH1 3.25Å; N701-R723 PolarHBondContact OD1-NH2 3.45Å; F704-R723 HydrophobicContact CD1-CB 3.79Å; F704-R723 HydrophobicContact CE1-CB 3.74Å; F704-R723 WeakPolarHBondContact O-CD 3.32Å; F704-R723 PolarHBondContact O-NH1 3.27Å; S707-R723 PolarHBondContact N-O 3.37Å; T708-R723 PolarHBondContact O-N 3.27Å; R723-L730 VanDerWaalsContact NH2-CD1 3.29Å; R723-W732 HydrophobicContact CB-CG 4.42Å; R723-W732 HydrophobicContact CG-CD2 4.25Å; R723-W732 HydrophobicContact CG-CG 4.47Å; R723-W732 HydrophobicContact CG-CZ2 4.12Å; R723-K912 VanDerWaalsContact NH2-C 3.33Å; R723-K912 PolarHBondContact NH2-O 2.9Å
724	L	96.3	Very high	97.3	Very high	15 Å²	15	19.1 Å²	19.1	8%	0.079	11%	0.114	C	C	.	.			trans	-139.9	167.8	-178.3	-69.6	173.5	0	0	0	110.6	T602 T619 Q683 F706 M722	T602-L724 HydrophobicContact CG2-CD1 3.81Å; T619-L724 HydrophobicContact CG2-CD1 3.91Å; Q683-L724 PolarHBondContact NE2-O 3.23Å; F706-L724 HydrophobicContact CZ-CD2 4.36Å; M722-L724 HydrophobicContact CB-CD1 4.37Å; M722-L724 PolarHBondContact O-N 3.37Å; M722-L724 HydrophobicContact SD-CD1 4.36Å
725	S	96	Very high	97.3	Very high	11 Å²	11	19.1 Å²	19.1	8%	0.077	11%	0.114	C	C	.	.			trans	-153.7	129.4	173	-171	0	0	0	0	111.2	Q683 V727 G728 E729 Y774	Q683-S725 PolarHBondContact OE1-OG 2.86Å; S725-V727 WeakPolarHBondContact OG-CG2 3.3Å; S725-V727 PolarHBondContact OG-N 3.42Å; S725-G728 PolarHBondContact OG-N 3.3Å; S725-G728 VanDerWaalsContact OG-N 3.08Å; S725-E729 WeakPolarHBondContact CB-O 3.23Å; S725-E729 PolarHBondContact OG-N 3.34Å; S725-E729 VanDerWaalsContact OG-N 3.13Å; S725-E729 PolarHBondContact OG-O 3.48Å; S725-E729 VanDerWaalsContact OG-O 3.12Å; S725-Y774 WeakPolarHBondContact O-CE2 3.42Å
726	F	95.5	Very high	97.4	Very high	52 Å²	52	16.8 Å²	16.8	23%	0.228	10%	0.095	C	C	.	.	S	Bend	trans	-99.4	-5.5	168.6	-166.2	-110.5	0	0	0	112.9	I765 S769 Y774 H776	F726-I765 HydrophobicContact CD1-CG2 3.64Å; F726-I765 HydrophobicContact CE1-CG2 4Å; F726-S769 WeakPolarHBondContact O-CB 3.29Å; F726-Y774 HydrophobicContact CD2-CD2 4.1Å; F726-Y774 WeakPolarHBondContact O-CD2 3.09Å; F726-H776 AromaticContact CE1-CE1 3.69Å; F726-H776 AromaticContact CE1-NE2 3.39Å; F726-H776 WeakPolarHBondContact CE1-NE2 3.45Å; F726-H776 AromaticContact CZ-CD2 3.65Å; F726-H776 AromaticContact CZ-NE2 3.54Å
727	V	97.5	Very high	97.5	Very high	4 Å²	4	14.7 Å²	14.7	2%	0.024	7%	0.069	C	C	.	.	S	Bend	trans	-100.9	-8.1	175.4	-63.7	0	0	0	0	113.1	R562 F568 Q683 S725 E729 I765 L768	R562-V727 PolarHBondContact NH1-O 2.85Å; R562-V727 PolarHBondContact NH2-O 2.89Å; F568-V727 HydrophobicContact CE2-CG1 4.14Å; F568-V727 HydrophobicContact CZ-CG1 4.07Å; Q683-V727 HydrophobicContact CB-CG2 3.5Å; Q683-V727 VanDerWaalsContact CB-CG2 3.5Å; Q683-V727 HydrophobicContact CG-CG2 3.65Å; S725-V727 WeakPolarHBondContact OG-CG2 3.3Å; S725-V727 PolarHBondContact OG-N 3.42Å; V727-E729 HydrophobicContact CG2-CB 4.39Å; V727-I765 HydrophobicContact CG1-CG1 4.31Å; V727-I765 HydrophobicContact CG1-CG2 4.43Å; V727-L768 HydrophobicContact CB-CB 3.79Å; V727-L768 HydrophobicContact CB-CD1 3.93Å; V727-L768 HydrophobicContact CB-CG 4.44Å; V727-L768 HydrophobicContact CG1-CB 3.92Å; V727-L768 HydrophobicContact CG1-CD1 3.78Å
728	G	96.7	Very high	97.5	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.071	C	C	.	.	S	Bend	trans	89.7	13.4	174.8	0	0	0	0	0	115.7	S725 R910 V911	S725-G728 PolarHBondContact OG-N 3.3Å; S725-G728 VanDerWaalsContact OG-N 3.08Å; G728-R910 WeakPolarHBondContact O-CB 3.32Å; G728-V911 VanDerWaalsContact C-CG1 3.46Å; G728-V911 WeakPolarHBondContact O-CG1 3.33Å
729	E	98	Very high	97.4	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.092	C	C	.	.	S	Bend	trans	-110	172.7	-179.3	-64.1	-55.8	149.2	0	0	112.8	R562 Q683 S725 V727 R910 V911 Y915	R562-E729 WeakPolarHBondContact CD-OE1 3.2Å; R562-E729 IonicContact CZ-OE1 2.87Å; R562-E729 IonicContact NE-OE1 2.69Å; R562-E729 IonicContact NH1-OE1 2.84Å; R562-E729 PolarHBondContact NH1-OE1 3.05Å; Q683-E729 PolarHBondContact OE1-O 3.02Å; S725-E729 WeakPolarHBondContact CB-O 3.23Å; S725-E729 PolarHBondContact OG-N 3.34Å; S725-E729 VanDerWaalsContact OG-N 3.13Å; S725-E729 PolarHBondContact OG-O 3.48Å; S725-E729 VanDerWaalsContact OG-O 3.12Å; V727-E729 HydrophobicContact CG2-CB 4.39Å; E729-R910 VanDerWaalsContact CD-NH1 3.26Å; E729-R910 IonicContact OE1-CZ 3.33Å; E729-R910 IonicContact OE1-NH1 2.89Å; E729-R910 PolarHBondContact OE1-NH1 3.43Å; E729-R910 IonicContact OE2-CZ 2.8Å; E729-R910 IonicContact OE2-NH1 2.8Å; E729-R910 PolarHBondContact OE2-NH1 3.06Å; E729-R910 VanDerWaalsContact OE2-NH1 3.09Å; E729-V911 WeakPolarHBondContact O-CA 3.33Å; E729-Y915 WeakPolarHBondContact OE2-CE1 3.24Å; E729-Y915 PolarHBondContact OE2-OH 3.17Å
730	L	98.4	Very high	97.5	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.005	10%	0.098	C	C	.	.	S	Bend	trans	-64.1	131.5	163.9	177.7	66	0	0	0	109.8	G684 S687 R688 R723 W732 R910 Y915	G684-L730 CarbonylContact C-O 3.59Å; G684-L730 PolarHBondContact N-O 3.24Å; S687-L730 PolarHBondContact OG-O 2.86Å; R688-L730 HydrophobicContact CB-CD2 4.07Å; R723-L730 VanDerWaalsContact NH2-CD1 3.29Å; L730-W732 HydrophobicContact CD1-CH2 4.15Å; L730-W732 HydrophobicContact CD1-CZ3 4.15Å; L730-W732 HydrophobicContact CG-CZ3 4.18Å; L730-R910 PolarHBondContact N-O 2.8Å; L730-Y915 HydrophobicContact CB-CE2 4.45Å; L730-Y915 VanDerWaalsContact CB-OH 3.26Å; L730-Y915 WeakPolarHBondContact CB-OH 3.33Å; L730-Y915 PolarHBondContact N-OH 2.66Å
731	G	98.2	Very high	97.5	Very high	2 Å²	2	18.7 Å²	18.7	2%	0.021	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.5	-179.5	175.1	0	0	0	0	0	114.7	I682	I682-G731 CarbonylContact O-C 3.59Å; I682-G731 WeakPolarHBondContact O-CA 3.26Å
732	W	98.7	Very high	97.5	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	146.4	175.5	-69.7	-108.1	0	0	0	111	I682 R688 L691 L699 F704 M722 R723 L730	I682-W732 PolarHBondContact N-O 2.77Å; I682-W732 PolarHBondContact O-N 2.95Å; R688-W732 HydrophobicContact CB-CH2 3.86Å; R688-W732 HydrophobicContact CB-CZ3 3.81Å; R688-W732 HydrophobicContact CG-CH2 3.91Å; R688-W732 HydrophobicContact CG-CZ3 4.33Å; L691-W732 HydrophobicContact CD1-CB 3.79Å; L691-W732 HydrophobicContact CD1-CD2 4Å; L691-W732 HydrophobicContact CD1-CE3 3.64Å; L691-W732 HydrophobicContact CD1-CG 4.11Å; L699-W732 HydrophobicContact CB-CH2 4.02Å; L699-W732 HydrophobicContact CB-CZ2 3.8Å; L699-W732 HydrophobicContact CD2-CZ2 4.32Å; L699-W732 HydrophobicContact CG-CZ2 4.45Å; F704-W732 AromaticContact CD1-NE1 3.71Å; F704-W732 AromaticContact CD2-NE1 3.73Å; F704-W732 AromaticContact CE1-NE1 3.73Å; F704-W732 AromaticContact CE2-NE1 3.73Å; F704-W732 AromaticContact CG-NE1 3.73Å; F704-W732 AromaticContact CZ-CD1 3.88Å; F704-W732 AromaticContact CZ-NE1 3.74Å; M722-W732 CarbonylContact O-C 3.49Å; M722-W732 WeakPolarHBondContact O-CA 3.35Å; M722-W732 WeakPolarHBondContact O-CB 3.46Å; R723-W732 HydrophobicContact CB-CG 4.42Å; R723-W732 HydrophobicContact CG-CD2 4.25Å; R723-W732 HydrophobicContact CG-CG 4.47Å; R723-W732 HydrophobicContact CG-CZ2 4.12Å; L730-W732 HydrophobicContact CD1-CH2 4.15Å; L730-W732 HydrophobicContact CD1-CZ3 4.15Å; L730-W732 HydrophobicContact CG-CZ3 4.18Å
733	E	98.6	Very high	97.5	Very high	12 Å²	12	22.6 Å²	22.6	6%	0.056	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	127.9	165.2	-72	163.2	-176.9	0	0	108.6	M679 I680 S681 A721 M722	M679-E733 HydrophobicContact CE-CB 3.99Å; M679-E733 VanDerWaalsContact CE-CD 3.42Å; M679-E733 HydrophobicContact CE-CG 3.75Å; M679-E733 WeakPolarHBondContact CE-OE2 3.16Å; I680-E733 CarbonylContact O-C 3.6Å; I680-E733 WeakPolarHBondContact O-CA 3.08Å; S681-E733 VanDerWaalsContact OG-CG 3.27Å; S681-E733 WeakPolarHBondContact OG-CG 3.48Å; A721-E733 CarbonylContact C-O 3.47Å; A721-E733 WeakPolarHBondContact CA-O 3.45Å; M722-E733 HydrophobicContact CB-CB 4.4Å; M722-E733 PolarHBondContact N-O 3.18Å; M722-E733 PolarHBondContact O-N 3.32Å
734	L	98.6	Very high	97.5	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	115.1	173.3	-55.2	-175.4	0	0	0	108.3	M679 I680 I682 L691 L695 V719 A721 I736 V744 V748	M679-L734 WeakPolarHBondContact CA-O 3.44Å; I680-L734 HydrophobicContact CD1-CD1 4.48Å; I680-L734 HydrophobicContact CG1-CB 4.07Å; I680-L734 PolarHBondContact N-O 3.47Å; I680-L734 PolarHBondContact O-N 3.13Å; I682-L734 HydrophobicContact CD1-CD1 3.89Å; I682-L734 HydrophobicContact CD1-CG 3.85Å; L691-L734 HydrophobicContact CD2-CD1 4.05Å; L695-L734 HydrophobicContact CD1-CD2 4.24Å; L695-L734 HydrophobicContact CD2-CD1 4.45Å; L695-L734 HydrophobicContact CD2-CD2 4.36Å; V719-L734 HydrophobicContact CG2-CD2 4.41Å; A721-L734 HydrophobicContact CB-CD2 3.64Å; L734-I736 HydrophobicContact CB-CD1 4.04Å; L734-I736 HydrophobicContact CB-CG1 3.98Å; L734-V744 HydrophobicContact CD1-CG1 4.22Å; L734-V748 HydrophobicContact CD1-CG2 4.38Å
735	H	98.2	Very high	97.6	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	121	170.4	-57.7	-123	0	0	0	107	L632 Y642 M679 R720	L632-H735 WeakPolarHBondContact CD2-O 3.22Å; Y642-H735 AromaticContact CE1-CE1 3.79Å; Y642-H735 AromaticContact CE1-ND1 3.65Å; Y642-H735 AromaticContact CZ-ND1 3.7Å; Y642-H735 PolarHBondContact OH-ND1 2.76Å; M679-H735 VanDerWaalsContact SD-CE1 3.58Å; R720-H735 HydrophobicContact CB-CB 4.24Å; R720-H735 PolarHBondContact N-O 3.09Å; R720-H735 PolarHBondContact O-N 3.33Å
736	I	98.1	Very high	97.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	130	-161.2	-53.5	161.6	0	0	0	108.2	F485 M677 G678 I680 V719 L734 K738 C741 V744	F485-I736 HydrophobicContact CZ-CD1 4.21Å; M677-I736 CarbonylContact C-O 3.6Å; M677-I736 WeakPolarHBondContact CA-O 3.34Å; G678-I736 PolarHBondContact N-O 2.93Å; G678-I736 PolarHBondContact O-N 2.96Å; I680-I736 HydrophobicContact CD1-CD1 3.95Å; I680-I736 HydrophobicContact CG1-CD1 3.81Å; V719-I736 HydrophobicContact CB-CG1 4.33Å; V719-I736 HydrophobicContact CG1-CB 4.27Å; V719-I736 HydrophobicContact CG1-CG1 3.84Å; V719-I736 HydrophobicContact CG1-CG2 4Å; L734-I736 HydrophobicContact CB-CD1 4.04Å; L734-I736 HydrophobicContact CB-CG1 3.98Å; I736-K738 PolarHBondContact O-N 3.15Å; I736-C741 HydrophobicContact CG2-CB 4.45Å; I736-C741 PolarHBondContact O-SG 2.73Å; I736-C741 VanDerWaalsContact O-SG 3.37Å; I736-V744 HydrophobicContact CD1-CB 4.06Å; I736-V744 HydrophobicContact CD1-CG1 3.62Å; I736-V744 HydrophobicContact CG1-CG1 4.28Å; I736-V744 HydrophobicContact CG2-CB 4.37Å; I736-V744 HydrophobicContact CG2-CG2 4.17Å
737	P	96.8	Very high	97.9	Very high	25 Å²	25	27.4 Å²	27.4	16%	0.162	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.8	140.6	171.7	-24.3	34.8	0	0	0	111.2	L632 Q718 D739 S740 C741	L632-P737 HydrophobicContact CD1-CG 3.86Å; L632-P737 HydrophobicContact CD2-CG 4.4Å; L632-P737 HydrophobicContact CG-CG 3.9Å; Q718-P737 WeakPolarHBondContact O-CD 3.31Å; P737-D739 VanDerWaalsContact C-N 3.31Å; P737-D739 PolarHBondContact O-N 2.72Å; P737-D739 VanDerWaalsContact O-N 3.12Å; P737-S740 WeakPolarHBondContact O-CA 3.34Å; P737-S740 WeakPolarHBondContact O-CB 3.33Å; P737-S740 PolarHBondContact O-N 2.73Å; P737-C741 PolarHBondContact O-N 3.49Å; P737-C741 PolarHBondContact O-SG 2.96Å
738	K	96	Very high	98	Very high	103 Å²	103	27.2 Å²	27.2	45%	0.448	14%	0.14	S	C	.	.	G	3₁₀ helix	trans	-40	-53.3	-175.5	-176.6	165.5	-164.2	158.4	0	114.3	P484 E675 D676 I736 S740 C741	P484-K738 HydrophobicContact CG-CB 4.5Å; P484-K738 HydrophobicContact CG-CG 3.96Å; E675-K738 PolarHBondContact O-NZ 2.95Å; D676-K738 WeakPolarHBondContact O-CB 3.4Å; D676-K738 PolarHBondContact O-N 3.23Å; I736-K738 PolarHBondContact O-N 3.15Å; K738-S740 PolarHBondContact O-N 2.78Å; K738-C741 VanDerWaalsContact O-CB 3.31Å; K738-C741 WeakPolarHBondContact O-CB 3.06Å; K738-C741 PolarHBondContact O-N 3.16Å; K738-C741 PolarHBondContact O-SG 3.26Å
739	D	95.3	Very high	98.1	Very high	147 Å²	147	28.6 Å²	28.6	79%	0.786	15%	0.147	S	C	*	.	G	3₁₀ helix	trans	-68.8	-22.2	-175.4	-54.3	-26.9	0	0	0	113.6	P737	P737-D739 VanDerWaalsContact C-N 3.31Å; P737-D739 PolarHBondContact O-N 2.72Å; P737-D739 VanDerWaalsContact O-N 3.12Å
740	S	97.2	Very high	98.1	Very high	18 Å²	18	32 Å²	32	13%	0.126	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-92.9	-8.2	-179.7	-54.5	0	0	0	0	113.5	Y717 P737 K738 P743 V744	Y717-S740 WeakPolarHBondContact CD1-OG 3.46Å; P737-S740 WeakPolarHBondContact O-CA 3.34Å; P737-S740 WeakPolarHBondContact O-CB 3.33Å; P737-S740 PolarHBondContact O-N 2.73Å; K738-S740 PolarHBondContact O-N 2.78Å; S740-P743 WeakPolarHBondContact O-CD 3.22Å; S740-V744 WeakPolarHBondContact O-CB 3.4Å; S740-V744 VanDerWaalsContact O-CG2 3.29Å; S740-V744 WeakPolarHBondContact O-CG2 3.16Å; S740-V744 PolarHBondContact O-N 2.93Å; S740-V744 VanDerWaalsContact O-N 3.15Å
741	C	98.3	Very high	98.1	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-59.3	-60.9	-171.2	-74	0	0	0	0	113.2	P484 F485 G678 I736 P737 K738 V744 Y745	P484-C741 HydrophobicContact CB-CB 3.54Å; P484-C741 HydrophobicContact CG-CB 4.18Å; F485-C741 HydrophobicContact CD1-CB 4.36Å; F485-C741 HydrophobicContact CE1-CB 3.6Å; F485-C741 WeakPolarHBondContact CE1-O 3.25Å; F485-C741 HydrophobicContact CE2-CB 4.32Å; F485-C741 HydrophobicContact CZ-CB 3.57Å; G678-C741 VanDerWaalsContact CA-SG 3.59Å; G678-C741 PolarHBondContact N-SG 3.38Å; G678-C741 VanDerWaalsContact N-SG 3.44Å; I736-C741 HydrophobicContact CG2-CB 4.45Å; I736-C741 PolarHBondContact O-SG 2.73Å; I736-C741 VanDerWaalsContact O-SG 3.37Å; P737-C741 PolarHBondContact O-N 3.49Å; P737-C741 PolarHBondContact O-SG 2.96Å; K738-C741 VanDerWaalsContact O-CB 3.31Å; K738-C741 WeakPolarHBondContact O-CB 3.06Å; K738-C741 PolarHBondContact O-N 3.16Å; K738-C741 PolarHBondContact O-SG 3.26Å; C741-V744 PolarHBondContact O-N 2.73Å; C741-Y745 WeakPolarHBondContact O-CB 3.45Å; C741-Y745 PolarHBondContact O-N 3.2Å
742	V	98.6	Very high	98.1	Very high	36 Å²	36	32.6 Å²	32.6	22%	0.218	18%	0.179	C	C	.	.	H	α-helix	trans	-62	-42.2	-175.9	178.1	0	0	0	0	112.8	P484 Y745 R746	P484-V742 WeakPolarHBondContact O-CG2 3.41Å; V742-Y745 PolarHBondContact O-N 3.32Å; V742-R746 HydrophobicContact CG1-CG 4.33Å; V742-R746 WeakPolarHBondContact O-CB 3.37Å; V742-R746 WeakPolarHBondContact O-CG 3.4Å; V742-R746 PolarHBondContact O-N 3.12Å
743	P	98.6	Very high	98.1	Very high	46 Å²	46	35.9 Å²	35.9	30%	0.299	21%	0.207	S	C	.	.	H	α-helix	trans	-55.5	-49.6	171.3	-28.2	35.5	0	0	0	114	Y717 S740 R746 A747	Y717-P743 HydrophobicContact CD2-CB 4.14Å; Y717-P743 HydrophobicContact CE2-CB 3.48Å; Y717-P743 VanDerWaalsContact CE2-CB 3.48Å; Y717-P743 HydrophobicContact CE2-CG 4.18Å; S740-P743 WeakPolarHBondContact O-CD 3.22Å; P743-R746 PolarHBondContact O-N 2.65Å; P743-A747 PolarHBondContact O-N 3.24Å
744	V	98.7	Very high	98	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-63.7	-44.4	179.9	171.2	0	0	0	0	111.2	A714 Y717 V719 L734 I736 S740 C741 R746 A747 V748	A714-V744 HydrophobicContact CB-CG1 3.81Å; A714-V744 HydrophobicContact CB-CG2 3.96Å; Y717-V744 HydrophobicContact CD2-CG2 4.18Å; Y717-V744 HydrophobicContact CG-CG2 4.47Å; V719-V744 HydrophobicContact CG1-CG2 4.19Å; L734-V744 HydrophobicContact CD1-CG1 4.22Å; I736-V744 HydrophobicContact CD1-CB 4.06Å; I736-V744 HydrophobicContact CD1-CG1 3.62Å; I736-V744 HydrophobicContact CG1-CG1 4.28Å; I736-V744 HydrophobicContact CG2-CB 4.37Å; I736-V744 HydrophobicContact CG2-CG2 4.17Å; S740-V744 WeakPolarHBondContact O-CB 3.4Å; S740-V744 VanDerWaalsContact O-CG2 3.29Å; S740-V744 WeakPolarHBondContact O-CG2 3.16Å; S740-V744 PolarHBondContact O-N 2.93Å; S740-V744 VanDerWaalsContact O-N 3.15Å; C741-V744 PolarHBondContact O-N 2.73Å; V744-R746 PolarHBondContact O-N 3.25Å; V744-A747 PolarHBondContact O-N 3.3Å; V744-V748 WeakPolarHBondContact O-CG2 3.27Å; V744-V748 PolarHBondContact O-N 3.12Å
745	Y	98.8	Very high	97.9	Very high	4 Å²	4	43.3 Å²	43.3	2%	0.016	24%	0.239	C	C	.	.	H	α-helix	trans	-59.2	-46.2	175.8	167.3	-97.9	0	0	0	112.3	F485 V488 L489 V567 C741 V742 A747 V748 M749 N759	F485-Y745 HydrophobicContact CD1-CD2 4.45Å; F485-Y745 HydrophobicContact CD1-CG 4.1Å; F485-Y745 HydrophobicContact CE1-CG 4.28Å; V488-Y745 HydrophobicContact CG1-CD1 4.09Å; V488-Y745 HydrophobicContact CG1-CE1 3.94Å; V488-Y745 HydrophobicContact CG2-CD1 4.41Å; V488-Y745 HydrophobicContact CG2-CE1 3.82Å; L489-Y745 HydrophobicContact CD2-CE2 4.32Å; V567-Y745 HydrophobicContact CG1-CD2 4.47Å; V567-Y745 HydrophobicContact CG1-CE2 4.35Å; C741-Y745 WeakPolarHBondContact O-CB 3.45Å; C741-Y745 PolarHBondContact O-N 3.2Å; V742-Y745 PolarHBondContact O-N 3.32Å; Y745-A747 VanDerWaalsContact C-N 3.31Å; Y745-A747 PolarHBondContact O-N 3.26Å; Y745-V748 PolarHBondContact O-N 3.22Å; Y745-M749 HydrophobicContact CD1-CG 4.44Å; Y745-M749 HydrophobicContact CD2-CG 4.13Å; Y745-M749 HydrophobicContact CE1-CG 3.99Å; Y745-M749 HydrophobicContact CE2-CG 3.65Å; Y745-M749 HydrophobicContact CE2-SD 4Å; Y745-M749 HydrophobicContact CG-CG 4.5Å; Y745-M749 WeakPolarHBondContact O-CG 3.34Å; Y745-M749 PolarHBondContact O-N 3.13Å; Y745-N759 WeakPolarHBondContact CE2-OD1 3.29Å; Y745-N759 VanDerWaalsContact OH-CG 3.24Å; Y745-N759 PolarHBondContact OH-ND2 2.81Å; Y745-N759 PolarHBondContact OH-OD1 2.83Å
746	R	98.7	Very high	97.8	Very high	150 Å²	150	45.1 Å²	45.1	57%	0.566	26%	0.258	S	S	*	.	H	α-helix	trans	-61.5	-38.6	177.5	-75.2	176.1	176	169	0.1	111.9	V742 P743 V744 A750	V742-R746 HydrophobicContact CG1-CG 4.33Å; V742-R746 WeakPolarHBondContact O-CB 3.37Å; V742-R746 WeakPolarHBondContact O-CG 3.4Å; V742-R746 PolarHBondContact O-N 3.12Å; P743-R746 PolarHBondContact O-N 2.65Å; V744-R746 PolarHBondContact O-N 3.25Å; R746-A750 VanDerWaalsContact O-CB 3.28Å; R746-A750 WeakPolarHBondContact O-CB 3.16Å; R746-A750 PolarHBondContact O-N 3.08Å
747	A	98.7	Very high	97.9	Very high	28 Å²	28	46 Å²	46	23%	0.231	26%	0.262	C	S	.	.	H	α-helix	trans	-65	-43.9	175.4	0	0	0	0	0	112.7	V694 A715 P743 V744 Y745 A750 A751	V694-A747 HydrophobicContact CG1-CB 4.16Å; A715-A747 HydrophobicContact CB-CB 3.55Å; P743-A747 PolarHBondContact O-N 3.24Å; V744-A747 PolarHBondContact O-N 3.3Å; Y745-A747 VanDerWaalsContact C-N 3.31Å; Y745-A747 PolarHBondContact O-N 3.26Å; A747-A750 PolarHBondContact O-N 2.59Å; A747-A751 WeakPolarHBondContact O-CB 3.12Å; A747-A751 PolarHBondContact O-N 3.46Å
748	V	98.8	Very high	97.9	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-59.5	-48.4	174.4	170	0	0	0	0	111.5	V567 I682 V690 L691 V694 L734 V744 Y745 A750 A751 G752 I757	V567-V748 HydrophobicContact CG2-CG1 4.04Å; I682-V748 HydrophobicContact CG1-CG1 3.81Å; V690-V748 HydrophobicContact CG1-CG1 4.46Å; L691-V748 HydrophobicContact CD2-CG2 4.19Å; V694-V748 HydrophobicContact CG1-CG2 4.11Å; V694-V748 HydrophobicContact CG2-CG2 4.43Å; L734-V748 HydrophobicContact CD1-CG2 4.38Å; V744-V748 WeakPolarHBondContact O-CG2 3.27Å; V744-V748 PolarHBondContact O-N 3.12Å; Y745-V748 PolarHBondContact O-N 3.22Å; V748-A750 VanDerWaalsContact C-N 3.34Å; V748-A750 PolarHBondContact O-N 2.93Å; V748-A751 PolarHBondContact O-N 3.44Å; V748-G752 PolarHBondContact O-N 2.96Å; V748-I757 HydrophobicContact CG1-CD1 4.01Å
749	M	98.7	Very high	98	Very high	29 Å²	29	42.8 Å²	42.8	14%	0.143	25%	0.248	C	C	.	.	H	α-helix	trans	-65.3	-37.5	179.5	-65.8	-58.1	-70.7	0	0	112.1	V567 Y745 A753 I757	V567-M749 HydrophobicContact CB-SD 4.31Å; V567-M749 HydrophobicContact CG2-SD 3.78Å; Y745-M749 HydrophobicContact CD1-CG 4.44Å; Y745-M749 HydrophobicContact CD2-CG 4.13Å; Y745-M749 HydrophobicContact CE1-CG 3.99Å; Y745-M749 HydrophobicContact CE2-CG 3.65Å; Y745-M749 HydrophobicContact CE2-SD 4Å; Y745-M749 HydrophobicContact CG-CG 4.5Å; Y745-M749 WeakPolarHBondContact O-CG 3.34Å; Y745-M749 PolarHBondContact O-N 3.13Å; M749-A753 PolarHBondContact O-N 3.16Å; M749-A753 VanDerWaalsContact O-N 3.08Å; M749-I757 HydrophobicContact CE-CG2 4.06Å; M749-I757 HydrophobicContact SD-CD1 4.35Å; M749-I757 HydrophobicContact SD-CG1 4.24Å; M749-I757 HydrophobicContact SD-CG2 4.18Å
750	A	98.6	Very high	98.2	Very high	72 Å²	72	35.9 Å²	35.9	60%	0.595	21%	0.211	S	C	*	.	H	α-helix	trans	-66.1	-47.8	176.7	0	0	0	0	0	112.4	R746 A747 V748 G752 A753	R746-A750 VanDerWaalsContact O-CB 3.28Å; R746-A750 WeakPolarHBondContact O-CB 3.16Å; R746-A750 PolarHBondContact O-N 3.08Å; A747-A750 PolarHBondContact O-N 2.59Å; V748-A750 VanDerWaalsContact C-N 3.34Å; V748-A750 PolarHBondContact O-N 2.93Å; A750-G752 VanDerWaalsContact C-N 3.32Å; A750-G752 PolarHBondContact O-N 3.01Å; A750-A753 WeakPolarHBondContact O-CB 3.45Å; A750-A753 PolarHBondContact O-N 3.32Å
751	A	98.4	Very high	98.2	Very high	14 Å²	14	35 Å²	35	12%	0.116	21%	0.206	C	C	.	.	H	α-helix	trans	-62.4	-40.3	176	0	0	0	0	0	111.7	V690 E693 V694 A747 V748 A753	V690-A751 HydrophobicContact CG1-CB 4.12Å; E693-A751 HydrophobicContact CB-CB 4.16Å; V694-A751 HydrophobicContact CG2-CB 3.76Å; A747-A751 WeakPolarHBondContact O-CB 3.12Å; A747-A751 PolarHBondContact O-N 3.46Å; V748-A751 PolarHBondContact O-N 3.44Å; A751-A753 VanDerWaalsContact C-N 3.34Å; A751-A753 PolarHBondContact O-N 2.89Å
752	G	98.3	Very high	98.1	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-75.8	-13.2	-179.2	0	0	0	0	0	115.6	V748 A750 K754 H755 G756 I757	V748-G752 PolarHBondContact O-N 2.96Å; A750-G752 VanDerWaalsContact C-N 3.32Å; A750-G752 PolarHBondContact O-N 3.01Å; G752-K754 VanDerWaalsContact C-N 3.31Å; G752-K754 PolarHBondContact O-N 2.93Å; G752-H755 CarbonylContact O-C 3.18Å; G752-H755 WeakPolarHBondContact O-CA 3.4Å; G752-H755 WeakPolarHBondContact O-CB 3.44Å; G752-H755 PolarHBondContact O-N 3.39Å; G752-G756 PolarHBondContact O-N 3Å; G752-I757 WeakPolarHBondContact O-CB 3.45Å; G752-I757 WeakPolarHBondContact O-CG2 3.48Å; G752-I757 PolarHBondContact O-N 3.31Å; G752-I757 VanDerWaalsContact O-N 3.12Å
753	A	98	Very high	98	Very high	70 Å²	70	34.1 Å²	34.1	58%	0.579	20%	0.199	S	C	*	.	G	3₁₀ helix	trans	-55.9	-43.3	-175.2	0	0	0	0	0	112.8	M749 A750 A751 H755 G756	M749-A753 PolarHBondContact O-N 3.16Å; M749-A753 VanDerWaalsContact O-N 3.08Å; A750-A753 WeakPolarHBondContact O-CB 3.45Å; A750-A753 PolarHBondContact O-N 3.32Å; A751-A753 VanDerWaalsContact C-N 3.34Å; A751-A753 PolarHBondContact O-N 2.89Å; A753-H755 PolarHBondContact O-N 3.02Å; A753-G756 PolarHBondContact O-N 3.17Å
754	K	96.9	Very high	98	Very high	139 Å²	139	32 Å²	32	60%	0.604	18%	0.184	S	C	*	.	G	3₁₀ helix	trans	-71	-12	176.2	73.1	-163.5	-177.6	-168.2	0	114.2	E693 G752	E693-K754 WeakPolarHBondContact OE1-CE 3.34Å; E693-K754 IonicContact OE1-NZ 2.73Å; E693-K754 PolarHBondContact OE1-NZ 3.14Å; E693-K754 IonicContact OE2-NZ 3.44Å; E693-K754 PolarHBondContact OE2-NZ 3.29Å; G752-K754 VanDerWaalsContact C-N 3.31Å; G752-K754 PolarHBondContact O-N 2.93Å
755	H	97.4	Very high	97.9	Very high	28 Å²	28	32.1 Å²	32.1	13%	0.13	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-100.1	-4.5	179.2	-67.3	-83.2	0	0	0	113.3	V565 K686 Q689 V690 G752 A753	V565-H755 HydrophobicContact CG1-CB 4.22Å; K686-H755 HydrophobicContact CB-CB 4.42Å; K686-H755 HydrophobicContact CD-CB 3.97Å; K686-H755 WeakPolarHBondContact CD-O 3.33Å; K686-H755 PolarHBondContact NZ-O 3.22Å; Q689-H755 PolarHBondContact OE1-CE1 2.77Å; Q689-H755 VanDerWaalsContact OE1-CE1 3.29Å; Q689-H755 PolarHBondContact OE1-ND1 2.81Å; V690-H755 HydrophobicContact CG2-CB 3.98Å; G752-H755 CarbonylContact O-C 3.18Å; G752-H755 WeakPolarHBondContact O-CA 3.4Å; G752-H755 WeakPolarHBondContact O-CB 3.44Å; G752-H755 PolarHBondContact O-N 3.39Å; A753-H755 PolarHBondContact O-N 3.02Å
756	G	96	Very high	97.8	Very high	39 Å²	39	33.4 Å²	33.4	40%	0.402	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.4	26	-176.4	0	0	0	0	0	114	G752 A753	G752-G756 PolarHBondContact O-N 3Å; A753-G756 PolarHBondContact O-N 3.17Å
757	I	98.4	Very high	97.7	Very high	17 Å²	17	26.3 Å²	26.3	9%	0.087	17%	0.166	C	C	.	.			trans	-61.9	137.8	-178.6	-158.1	160.4	0	0	0	112.3	V565 V567 V690 V748 M749 G752	V565-I757 HydrophobicContact CG1-CB 3.91Å; V565-I757 HydrophobicContact CG1-CD1 4.27Å; V565-I757 HydrophobicContact CG1-CG1 3.96Å; V565-I757 HydrophobicContact CG2-CD1 4.03Å; V565-I757 HydrophobicContact CG2-CG1 4.2Å; V567-I757 HydrophobicContact CG2-CD1 3.52Å; V567-I757 HydrophobicContact CG2-CG1 3.76Å; V690-I757 HydrophobicContact CG1-CD1 4.11Å; V748-I757 HydrophobicContact CG1-CD1 4.01Å; M749-I757 HydrophobicContact CE-CG2 4.06Å; M749-I757 HydrophobicContact SD-CD1 4.35Å; M749-I757 HydrophobicContact SD-CG1 4.24Å; M749-I757 HydrophobicContact SD-CG2 4.18Å; G752-I757 WeakPolarHBondContact O-CB 3.45Å; G752-I757 WeakPolarHBondContact O-CG2 3.48Å; G752-I757 PolarHBondContact O-N 3.31Å; G752-I757 VanDerWaalsContact O-N 3.12Å
758	I	98.1	Very high	97.6	Very high	51 Å²	51	25 Å²	25	26%	0.262	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	160.9	172.9	62.1	165.2	0	0	0	110.8	E557 S560 A566 V567	E557-I758 HydrophobicContact CG-CD1 4.33Å; S560-I758 VanDerWaalsContact CB-CD1 3.47Å; S560-I758 WeakPolarHBondContact OG-CD1 3.32Å; A566-I758 WeakPolarHBondContact CA-O 3.45Å; A566-I758 HydrophobicContact CB-CG1 4.48Å; V567-I758 PolarHBondContact N-O 3.13Å
759	N	98.5	Very high	97.6	Very high	11 Å²	11	25 Å²	25	6%	0.059	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	149.4	159.7	-58.7	-69.1	0	0	0	109.6	Q492 F508 V567 Y745	Q492-N759 PolarHBondContact OE1-ND2 3.16Å; F508-N759 HydrophobicContact CD1-CB 3.99Å; F508-N759 HydrophobicContact CD2-CB 3.94Å; F508-N759 HydrophobicContact CE1-CB 3.6Å; F508-N759 HydrophobicContact CE2-CB 3.56Å; F508-N759 HydrophobicContact CG-CB 4.16Å; F508-N759 HydrophobicContact CZ-CB 3.39Å; V567-N759 CarbonylContact O-C 3.6Å; V567-N759 WeakPolarHBondContact O-CA 3.26Å; Y745-N759 WeakPolarHBondContact CE2-OD1 3.29Å; Y745-N759 VanDerWaalsContact OH-CG 3.24Å; Y745-N759 PolarHBondContact OH-ND2 2.81Å; Y745-N759 PolarHBondContact OH-OD1 2.83Å
760	S	98.5	Very high	97.4	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.007	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	146.1	173.4	-63.5	0	0	0	0	110.3	E557 V567 F568	E557-S760 WeakPolarHBondContact CB-OG 3.24Å; E557-S760 WeakPolarHBondContact OE2-CA 3.29Å; V567-S760 PolarHBondContact O-N 2.82Å; F568-S760 VanDerWaalsContact CD1-O 3.26Å; F568-S760 WeakPolarHBondContact CD1-O 3.5Å
761	G	97.8	Very high	97.3	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.01	12%	0.12	C	C	.	.			trans	-101.2	179.2	-173.1	0	0	0	0	0	114.1	P505 G506 E557 R763 A764 I765	P505-G761 CarbonylContact O-C 3.56Å; P505-G761 WeakPolarHBondContact O-CA 3.35Å; G506-G761 CarbonylContact O-C 3.59Å; G506-G761 VanDerWaalsContact O-CA 3.31Å; G506-G761 WeakPolarHBondContact O-CA 3.32Å; E557-G761 PolarHBondContact OE2-N 2.99Å; G761-R763 PolarHBondContact O-N 2.9Å; G761-A764 WeakPolarHBondContact O-CB 3.49Å; G761-A764 PolarHBondContact O-N 3Å; G761-A764 VanDerWaalsContact O-N 3.07Å; G761-I765 PolarHBondContact O-N 2.68Å
762	Y	96.6	Very high	97.2	Very high	10 Å²	10	20 Å²	20	4%	0.039	12%	0.116	C	C	.	.	H	α-helix	trans	-60.3	-30.3	179.5	-88.4	-85.7	0	0	0	113.1	R504 P505 G506 N569 M570 Y572 A764 I765 D766	R504-Y762 HydrophobicContact CB-CD2 4.13Å; R504-Y762 HydrophobicContact CB-CE2 4.11Å; R504-Y762 HydrophobicContact CG-CD2 3.97Å; R504-Y762 HydrophobicContact CG-CE2 4.36Å; P505-Y762 WeakPolarHBondContact O-CD2 3.31Å; P505-Y762 PolarHBondContact O-N 2.86Å; G506-Y762 PolarHBondContact O-N 2.89Å; N569-Y762 WeakPolarHBondContact O-CE2 3.31Å; M570-Y762 WeakPolarHBondContact CA-OH 3.3Å; M570-Y762 WeakPolarHBondContact CG-OH 3.45Å; Y572-Y762 HydrophobicContact CD1-CE2 4.34Å; Y572-Y762 AromaticContact CE1-CE1 3.93Å; Y572-Y762 HydrophobicContact CE1-CE1 3.93Å; Y572-Y762 HydrophobicContact CE1-CE2 4.11Å; Y572-Y762 AromaticContact CE1-CZ 3.5Å; Y572-Y762 VanDerWaalsContact CE1-CZ 3.5Å; Y572-Y762 VanDerWaalsContact CE1-OH 3.25Å; Y572-Y762 WeakPolarHBondContact CE1-OH 3.17Å; Y762-A764 VanDerWaalsContact C-N 3.25Å; Y762-A764 PolarHBondContact O-N 3Å; Y762-I765 HydrophobicContact CD1-CB 4.49Å; Y762-I765 HydrophobicContact CD1-CD1 3.86Å; Y762-I765 HydrophobicContact CD2-CD1 4.5Å; Y762-I765 HydrophobicContact CE1-CD1 3.77Å; Y762-I765 HydrophobicContact CE2-CD1 4.43Å; Y762-I765 HydrophobicContact CG-CD1 4.2Å; Y762-I765 CarbonylContact O-C 3.59Å; Y762-I765 WeakPolarHBondContact O-CA 3.16Å; Y762-I765 WeakPolarHBondContact O-CB 3.39Å; Y762-I765 PolarHBondContact O-N 2.79Å; Y762-D766 PolarHBondContact O-N 3.07Å
763	R	96.3	Very high	97.1	Very high	7 Å²	7	20 Å²	20	3%	0.026	12%	0.116	C	C	.	.	H	α-helix	trans	-64.3	-31.4	176	-62.8	-60.8	-57.9	-72.7	-8.8	112.6	F471 G506 E542 I554 G761	F471-R763 VanDerWaalsContact CE1-CZ 3.45Å; F471-R763 VanDerWaalsContact CE1-NH2 3.29Å; G506-R763 WeakPolarHBondContact O-CB 3.37Å; G506-R763 WeakPolarHBondContact O-CG 3.2Å; G506-R763 PolarHBondContact O-N 2.88Å; E542-R763 IonicContact OE2-NH1 2.81Å; E542-R763 PolarHBondContact OE2-NH1 3.15Å; E542-R763 VanDerWaalsContact OE2-NH1 3.15Å; I554-R763 HydrophobicContact CD1-CB 3.64Å; I554-R763 HydrophobicContact CD1-CG 4.3Å; I554-R763 HydrophobicContact CG1-CB 3.92Å; I554-R763 HydrophobicContact CG2-CB 4.31Å; G761-R763 PolarHBondContact O-N 2.9Å
764	A	98.1	Very high	97	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-75.4	-36.3	170.5	0	0	0	0	0	111.9	I554 E557 C558 F568 G761 Y762 D766 L768	I554-A764 HydrophobicContact CG2-CB 4.3Å; E557-A764 HydrophobicContact CB-CB 3.63Å; C558-A764 VanDerWaalsContact SG-CA 3.55Å; F568-A764 HydrophobicContact CE1-CB 4.19Å; G761-A764 WeakPolarHBondContact O-CB 3.49Å; G761-A764 PolarHBondContact O-N 3Å; G761-A764 VanDerWaalsContact O-N 3.07Å; Y762-A764 VanDerWaalsContact C-N 3.25Å; Y762-A764 PolarHBondContact O-N 3Å; A764-D766 VanDerWaalsContact C-N 3.33Å; A764-D766 PolarHBondContact O-N 3.25Å; A764-L768 WeakPolarHBondContact O-CB 3.49Å; A764-L768 WeakPolarHBondContact O-CD1 3.02Å; A764-L768 WeakPolarHBondContact O-CG 3.43Å; A764-L768 PolarHBondContact O-N 2.81Å
765	I	97.1	Very high	96.9	Very high	4 Å²	4	14.7 Å²	14.7	2%	0.021	8%	0.078	C	C	.	.	H	α-helix	trans	-60.4	-42.6	173.4	-60.3	177	0	0	0	111.1	F568 F726 V727 G761 Y762 S767 L768 S769	F568-I765 HydrophobicContact CB-CD1 4.08Å; F568-I765 HydrophobicContact CD1-CD1 3.63Å; F568-I765 HydrophobicContact CD1-CG1 3.33Å; F568-I765 HydrophobicContact CE1-CD1 4.33Å; F568-I765 HydrophobicContact CE1-CG1 3.52Å; F568-I765 HydrophobicContact CG-CD1 4.04Å; F568-I765 HydrophobicContact CG-CG1 4.07Å; F568-I765 HydrophobicContact CZ-CG1 4.41Å; F726-I765 HydrophobicContact CD1-CG2 3.64Å; F726-I765 HydrophobicContact CE1-CG2 4Å; V727-I765 HydrophobicContact CG1-CG1 4.31Å; V727-I765 HydrophobicContact CG1-CG2 4.43Å; G761-I765 PolarHBondContact O-N 2.68Å; Y762-I765 HydrophobicContact CD1-CB 4.49Å; Y762-I765 HydrophobicContact CD1-CD1 3.86Å; Y762-I765 HydrophobicContact CD2-CD1 4.5Å; Y762-I765 HydrophobicContact CE1-CD1 3.77Å; Y762-I765 HydrophobicContact CE2-CD1 4.43Å; Y762-I765 HydrophobicContact CG-CD1 4.2Å; Y762-I765 CarbonylContact O-C 3.59Å; Y762-I765 WeakPolarHBondContact O-CA 3.16Å; Y762-I765 WeakPolarHBondContact O-CB 3.39Å; Y762-I765 PolarHBondContact O-N 2.79Å; I765-S767 PolarHBondContact O-N 3.16Å; I765-L768 PolarHBondContact O-N 2.68Å; I765-S769 WeakPolarHBondContact O-CB 3.42Å; I765-S769 PolarHBondContact O-N 3.45Å; I765-S769 PolarHBondContact O-OG 2.97Å
766	D	95.3	Very high	96.6	Very high	31 Å²	31	14.2 Å²	14.2	17%	0.166	8%	0.076	C	C	.	.	H	α-helix	trans	-60.7	-48.9	-177.7	-65.2	-29.1	0	0	0	110.8	Y762 A764 S769 I770 H776 R851	Y762-D766 PolarHBondContact O-N 3.07Å; A764-D766 VanDerWaalsContact C-N 3.33Å; A764-D766 PolarHBondContact O-N 3.25Å; D766-S769 PolarHBondContact O-OG 3.39Å; D766-I770 WeakPolarHBondContact O-CG2 3.26Å; D766-I770 PolarHBondContact O-N 2.79Å; D766-H776 IonicContact OD1-CE1 2.71Å; D766-H776 PolarHBondContact OD1-CE1 3.01Å; D766-H776 VanDerWaalsContact OD1-CE1 3.23Å; D766-H776 IonicContact OD1-NE2 2.94Å; D766-R851 PolarHBondContact O-NH1 2.87Å; D766-R851 VanDerWaalsContact O-NH1 3.14Å
767	S	96.8	Very high	96.3	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-62.1	-49.1	172.8	175.2	0	0	0	0	113.2	I765 S769 I770 E771 D853 Y854 F856	I765-S767 PolarHBondContact O-N 3.16Å; S767-S769 VanDerWaalsContact C-N 3.33Å; S767-S769 PolarHBondContact O-N 2.63Å; S767-I770 VanDerWaalsContact O-CG2 3.26Å; S767-I770 WeakPolarHBondContact O-CG2 3.24Å; S767-I770 PolarHBondContact O-N 2.9Å; S767-E771 WeakPolarHBondContact O-CG 3.44Å; S767-E771 PolarHBondContact O-N 2.95Å; S767-D853 PolarHBondContact N-OD2 2.68Å; S767-Y854 PolarHBondContact OG-O 2.64Å; S767-F856 VanDerWaalsContact OG-CD2 3.26Å; S767-F856 WeakPolarHBondContact OG-CD2 3.43Å
768	L	98.2	Very high	95.2	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-66.3	-35.1	-177.8	-67.1	165.2	0	0	0	112.6	C558 C561 R562 F568 V727 A764 I765 K772	C558-L768 HydrophobicContact CB-CD2 3.88Å; C558-L768 HydrophobicContact CB-CG 4.15Å; C561-L768 HydrophobicContact CB-CD1 3.85Å; R562-L768 HydrophobicContact CG-CD2 3.77Å; R562-L768 PolarHBondContact NH2-O 3.46Å; F568-L768 HydrophobicContact CE1-CD1 4.44Å; F568-L768 HydrophobicContact CZ-CD1 3.81Å; V727-L768 HydrophobicContact CB-CB 3.79Å; V727-L768 HydrophobicContact CB-CD1 3.93Å; V727-L768 HydrophobicContact CB-CG 4.44Å; V727-L768 HydrophobicContact CG1-CB 3.92Å; V727-L768 HydrophobicContact CG1-CD1 3.78Å; A764-L768 WeakPolarHBondContact O-CB 3.49Å; A764-L768 WeakPolarHBondContact O-CD1 3.02Å; A764-L768 WeakPolarHBondContact O-CG 3.43Å; A764-L768 PolarHBondContact O-N 2.81Å; I765-L768 PolarHBondContact O-N 2.68Å; L768-K772 PolarHBondContact O-N 2.98Å
769	S	96.8	Very high	94.7	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-76.7	-35.8	179	64.6	0	0	0	0	112.3	F726 I765 D766 S767 K772 G773 Y774 H776 R851	F726-S769 WeakPolarHBondContact O-CB 3.29Å; I765-S769 WeakPolarHBondContact O-CB 3.42Å; I765-S769 PolarHBondContact O-N 3.45Å; I765-S769 PolarHBondContact O-OG 2.97Å; D766-S769 PolarHBondContact O-OG 3.39Å; S767-S769 VanDerWaalsContact C-N 3.33Å; S767-S769 PolarHBondContact O-N 2.63Å; S769-K772 CarbonylContact O-C 3.56Å; S769-K772 PolarHBondContact O-N 3.43Å; S769-G773 PolarHBondContact O-N 3.36Å; S769-Y774 PolarHBondContact O-N 3.47Å; S769-H776 PolarHBondContact OG-NE2 3.31Å; S769-R851 PolarHBondContact OG-NH1 2.89Å
770	I	95.9	Very high	94.4	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-69.8	-39.2	173.9	-159.4	173.6	0	0	0	111.1	D766 S767 K772 G773 R851 D853 L862 Y864	D766-I770 WeakPolarHBondContact O-CG2 3.26Å; D766-I770 PolarHBondContact O-N 2.79Å; S767-I770 VanDerWaalsContact O-CG2 3.26Å; S767-I770 WeakPolarHBondContact O-CG2 3.24Å; S767-I770 PolarHBondContact O-N 2.9Å; I770-K772 VanDerWaalsContact C-N 3.28Å; I770-K772 PolarHBondContact O-N 2.94Å; I770-G773 PolarHBondContact O-N 3.31Å; I770-R851 HydrophobicContact CD1-CG 4.23Å; I770-D853 HydrophobicContact CG2-CB 3.82Å; I770-L862 HydrophobicContact CB-CD1 4.48Å; I770-L862 HydrophobicContact CD1-CG 4.29Å; I770-L862 HydrophobicContact CG1-CD1 4.08Å; I770-L862 HydrophobicContact CG1-CG 4.16Å; I770-L862 HydrophobicContact CG2-CD1 4.12Å; I770-L862 HydrophobicContact CG2-CD2 4.03Å; I770-L862 HydrophobicContact CG2-CG 4.04Å; I770-L862 WeakPolarHBondContact O-CD1 3.3Å; I770-Y864 HydrophobicContact CD1-CD2 4.09Å; I770-Y864 HydrophobicContact CG1-CD2 3.56Å; I770-Y864 HydrophobicContact CG1-CE2 3.81Å; I770-Y864 WeakPolarHBondContact O-CE2 3.17Å
771	E	96.6	Very high	94.2	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.005	7%	0.07	C	C	.	.	H	α-helix	trans	-53.9	-49.5	169.9	-79	-170.6	146.6	0	0	110.1	R562 S767 G773 G855 F856 F857 I858 S902 F904	R562-E771 IonicContact CZ-OE2 3.85Å; R562-E771 VanDerWaalsContact CZ-OE2 3.22Å; R562-E771 IonicContact NE-OE2 3.78Å; R562-E771 PolarHBondContact NE-OE2 3.45Å; R562-E771 IonicContact NH2-OE2 3.43Å; R562-E771 PolarHBondContact NH2-OE2 3.36Å; S767-E771 WeakPolarHBondContact O-CG 3.44Å; S767-E771 PolarHBondContact O-N 2.95Å; E771-G773 PolarHBondContact O-N 3.08Å; E771-G855 WeakPolarHBondContact OE1-CA 3.26Å; E771-F856 PolarHBondContact OE1-N 2.89Å; E771-F857 WeakPolarHBondContact OE1-CA 3.34Å; E771-F857 WeakPolarHBondContact OE1-CB 3.47Å; E771-F857 PolarHBondContact OE1-N 3.05Å; E771-I858 HydrophobicContact CG-CD1 4.4Å; E771-I858 HydrophobicContact CG-CG1 4.3Å; E771-I858 PolarHBondContact OE1-N 3.25Å; E771-S902 WeakPolarHBondContact O-CB 3.29Å; E771-S902 PolarHBondContact O-OG 3.18Å; E771-F904 HydrophobicContact CB-CB 4.39Å; E771-F904 HydrophobicContact CB-CD1 4.45Å; E771-F904 HydrophobicContact CB-CG 4.45Å
772	K	96.6	Very high	94	Very high	9 Å²	9	15.4 Å²	15.4	4%	0.039	7%	0.071	C	C	.	.	H	α-helix	trans	-69.3	-14.9	179.1	-166.6	57.3	-177.7	169.2	0	113.9	L768 S769 I770 Y774 S902 F904 D905 N908	L768-K772 PolarHBondContact O-N 2.98Å; S769-K772 CarbonylContact O-C 3.56Å; S769-K772 PolarHBondContact O-N 3.43Å; I770-K772 VanDerWaalsContact C-N 3.28Å; I770-K772 PolarHBondContact O-N 2.94Å; K772-Y774 VanDerWaalsContact C-N 3.28Å; K772-Y774 HydrophobicContact CB-CD2 4.19Å; K772-Y774 HydrophobicContact CB-CE2 4.31Å; K772-Y774 HydrophobicContact CB-CG 4.36Å; K772-Y774 HydrophobicContact CG-CD1 3.97Å; K772-Y774 HydrophobicContact CG-CD2 3.81Å; K772-Y774 HydrophobicContact CG-CE1 3.66Å; K772-Y774 HydrophobicContact CG-CE2 3.49Å; K772-Y774 VanDerWaalsContact CG-CE2 3.49Å; K772-Y774 HydrophobicContact CG-CG 4.04Å; K772-Y774 VanDerWaalsContact CG-CZ 3.42Å; K772-S902 WeakPolarHBondContact O-CB 3.2Å; K772-F904 HydrophobicContact CB-CD1 4.39Å; K772-F904 HydrophobicContact CD-CD1 3.84Å; K772-F904 HydrophobicContact CD-CE1 4Å; K772-D905 PolarHBondContact NZ-O 2.65Å; K772-D905 IonicContact NZ-OD2 2.63Å; K772-D905 PolarHBondContact NZ-OD2 3.32Å; K772-N908 WeakPolarHBondContact CE-OD1 3.41Å; K772-N908 PolarHBondContact NZ-OD1 2.97Å
773	G	95.6	Very high	93.9	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.01	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.1	26.6	-174.4	0	0	0	0	0	113	S769 I770 E771 R775 Y864	S769-G773 PolarHBondContact O-N 3.36Å; I770-G773 PolarHBondContact O-N 3.31Å; E771-G773 PolarHBondContact O-N 3.08Å; G773-R775 WeakPolarHBondContact O-CD 3.48Å; G773-R775 PolarHBondContact O-NH1 2.86Å; G773-Y864 WeakPolarHBondContact CA-OH 3.45Å
774	Y	95.6	Very high	93.8	Very high	53 Å²	53	17.3 Å²	17.3	21%	0.208	8%	0.083	C	C	.	.			trans	-76.5	141.3	168.4	-64.4	-24.7	0	0	0	109.8	S725 F726 S769 K772 R851	S725-Y774 WeakPolarHBondContact O-CE2 3.42Å; F726-Y774 HydrophobicContact CD2-CD2 4.1Å; F726-Y774 WeakPolarHBondContact O-CD2 3.09Å; S769-Y774 PolarHBondContact O-N 3.47Å; K772-Y774 VanDerWaalsContact C-N 3.28Å; K772-Y774 HydrophobicContact CB-CD2 4.19Å; K772-Y774 HydrophobicContact CB-CE2 4.31Å; K772-Y774 HydrophobicContact CB-CG 4.36Å; K772-Y774 HydrophobicContact CG-CD1 3.97Å; K772-Y774 HydrophobicContact CG-CD2 3.81Å; K772-Y774 HydrophobicContact CG-CE1 3.66Å; K772-Y774 HydrophobicContact CG-CE2 3.49Å; K772-Y774 VanDerWaalsContact CG-CE2 3.49Å; K772-Y774 HydrophobicContact CG-CG 4.04Å; K772-Y774 VanDerWaalsContact CG-CZ 3.42Å; Y774-R851 PolarHBondContact O-NH2 2.78Å
775	R	94.6	Very high	93.7	Very high	44 Å²	44	17.3 Å²	17.3	17%	0.166	8%	0.083	C	C	.	.			trans	-86.4	145.9	-172.7	-78.7	57.3	167.7	178.6	1.2	109.4	G773 D780 L781 A790 L792	G773-R775 WeakPolarHBondContact O-CD 3.48Å; G773-R775 PolarHBondContact O-NH1 2.86Å; R775-D780 WeakPolarHBondContact CA-OD2 3.41Å; R775-D780 HydrophobicContact CB-CB 3.9Å; R775-D780 HydrophobicContact CG-CB 3.85Å; R775-L781 HydrophobicContact CB-CD1 4.24Å; R775-L781 HydrophobicContact CB-CD2 4.26Å; R775-L781 HydrophobicContact CB-CG 3.98Å; R775-L781 HydrophobicContact CG-CD2 4.12Å; R775-L781 HydrophobicContact CG-CG 4.36Å; R775-A790 PolarHBondContact NE-O 3.34Å; R775-A790 PolarHBondContact NH2-O 3.06Å; R775-L792 HydrophobicContact CB-CD1 4.47Å; R775-L792 HydrophobicContact CG-CD1 4.4Å; R775-L792 HydrophobicContact CG-CD2 4.41Å; R775-L792 HydrophobicContact CG-CG 4.48Å
776	H	91.3	Very high	93.8	Very high	19 Å²	19	17.6 Å²	17.6	9%	0.088	9%	0.085	C	C	.	.			trans	-106.5	132.7	167.6	-76.7	-121.8	0	0	0	110.6	F726 D766 S769 H778 A779 D780 L781 R851	F726-H776 AromaticContact CE1-CE1 3.69Å; F726-H776 AromaticContact CE1-NE2 3.39Å; F726-H776 WeakPolarHBondContact CE1-NE2 3.45Å; F726-H776 AromaticContact CZ-CD2 3.65Å; F726-H776 AromaticContact CZ-NE2 3.54Å; D766-H776 IonicContact OD1-CE1 2.71Å; D766-H776 PolarHBondContact OD1-CE1 3.01Å; D766-H776 VanDerWaalsContact OD1-CE1 3.23Å; D766-H776 IonicContact OD1-NE2 2.94Å; S769-H776 PolarHBondContact OG-NE2 3.31Å; H776-H778 VanDerWaalsContact C-N 3.26Å; H776-H778 AromaticContact ND1-CE1 3.73Å; H776-H778 PolarHBondContact O-N 2.87Å; H776-A779 HydrophobicContact CB-CB 4.4Å; H776-A779 PolarHBondContact O-N 2.95Å; H776-D780 PolarHBondContact N-OD2 3.12Å; H776-D780 PolarHBondContact O-N 3.29Å; H776-L781 PolarHBondContact O-N 2.84Å; H776-L781 VanDerWaalsContact O-N 3.11Å; H776-R851 PolarHBondContact CD2-NH1 2.85Å; H776-R851 PolarHBondContact CD2-NH2 2.8Å; H776-R851 PolarHBondContact NE2-NH1 2.84Å
777	W	89.6	Confident	93.9	Very high	10 Å²	10	16.1 Å²	16.1	4%	0.038	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-26.4	-176.5	-170.4	79.4	0	0	0	116.1	Y435 A614 E615 A616 D617 V649 H652 L781 P783	Y435-W777 AromaticContact CD1-CZ3 3.94Å; Y435-W777 HydrophobicContact CD1-CZ3 3.94Å; Y435-W777 AromaticContact CD2-CH2 3.97Å; Y435-W777 HydrophobicContact CD2-CH2 3.97Å; Y435-W777 AromaticContact CD2-CZ3 3.86Å; Y435-W777 HydrophobicContact CD2-CZ3 3.86Å; Y435-W777 HydrophobicContact CE1-CZ3 4.27Å; Y435-W777 HydrophobicContact CE2-CZ3 4.19Å; Y435-W777 AromaticContact CG-CH2 4Å; Y435-W777 HydrophobicContact CG-CH2 4Å; Y435-W777 AromaticContact CG-CZ3 3.75Å; Y435-W777 HydrophobicContact CG-CZ3 3.75Å; A614-W777 PolarHBondContact O-NE1 2.92Å; E615-W777 VanDerWaalsContact C-CE2 3.5Å; E615-W777 WeakPolarHBondContact O-CZ2 3.25Å; E615-W777 PolarHBondContact O-NE1 2.82Å; A616-W777 VanDerWaalsContact CA-CD1 3.43Å; D617-W777 WeakPolarHBondContact OD1-CB 3.47Å; V649-W777 HydrophobicContact CB-CE3 4.04Å; V649-W777 HydrophobicContact CB-CZ3 4.31Å; V649-W777 HydrophobicContact CG1-CD2 4.08Å; V649-W777 HydrophobicContact CG1-CE3 3.25Å; V649-W777 HydrophobicContact CG1-CZ3 3.69Å; H652-W777 AromaticContact CD2-CH2 3.43Å; H652-W777 VanDerWaalsContact CD2-CH2 3.43Å; H652-W777 WeakPolarHBondContact CD2-CH2 3.48Å; H652-W777 AromaticContact CD2-CZ2 3.76Å; H652-W777 AromaticContact NE2-CH2 3.69Å; H652-W777 AromaticContact NE2-CZ2 3.8Å; W777-L781 CarbonylContact C-O 3.54Å; W777-L781 VanDerWaalsContact C-O 3.31Å; W777-L781 CarbonylContact O-C 3.44Å; W777-P783 HydrophobicContact CH2-CG 3.8Å; W777-P783 HydrophobicContact CZ2-CG 3.64Å
778	H	75.3	Confident	93.9	Very high	110 Å²	110	16.9 Å²	16.9	51%	0.509	8%	0.081	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	11.5	-176.8	66.2	-79.8	0	0	0	112.6	H776	H776-H778 VanDerWaalsContact C-N 3.26Å; H776-H778 AromaticContact ND1-CE1 3.73Å; H776-H778 PolarHBondContact O-N 2.87Å
779	A	87.1	Confident	93.9	Very high	17 Å²	17	17.9 Å²	17.9	14%	0.14	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-148	-65.1	-176.1	0	0	0	0	0	112.5	H776 L781 R850 R851	H776-A779 HydrophobicContact CB-CB 4.4Å; H776-A779 PolarHBondContact O-N 2.95Å; A779-L781 CarbonylContact C-O 3.09Å; A779-L781 PolarHBondContact N-O 3.15Å; A779-R850 WeakPolarHBondContact O-CB 3.48Å; A779-R850 VanDerWaalsContact O-CD 3.24Å; A779-R850 WeakPolarHBondContact O-CD 3.49Å; A779-R851 HydrophobicContact CB-CB 4.35Å
780	D	93	Very high	93.9	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.005	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-27.8	-176.4	-56.8	-53.6	0	0	0	112.8	R775 H776 I822 R851 Y866	R775-D780 WeakPolarHBondContact CA-OD2 3.41Å; R775-D780 HydrophobicContact CB-CB 3.9Å; R775-D780 HydrophobicContact CG-CB 3.85Å; H776-D780 PolarHBondContact N-OD2 3.12Å; H776-D780 PolarHBondContact O-N 3.29Å; D780-I822 HydrophobicContact CB-CD1 4Å; D780-R851 WeakPolarHBondContact OD1-CB 3.38Å; D780-R851 IonicContact OD1-NE 2.93Å; D780-R851 PolarHBondContact OD1-NE 2.88Å; D780-R851 IonicContact OD2-CZ 2.74Å; D780-R851 VanDerWaalsContact OD2-CZ 3.24Å; D780-R851 IonicContact OD2-NE 3.69Å; D780-R851 PolarHBondContact OD2-NE 3.31Å; D780-R851 IonicContact OD2-NH2 3.39Å; D780-R851 PolarHBondContact OD2-NH2 2.93Å; D780-Y866 VanDerWaalsContact O-CE2 3.24Å; D780-Y866 WeakPolarHBondContact O-CE2 3.25Å; D780-Y866 PolarHBondContact O-OH 3.2Å
781	L	93.8	Very high	93.9	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.101	C	C	.	.			trans	-111.1	163.6	163.7	-46.6	169.6	0	0	0	107.8	A614 D617 R775 H776 W777 A779 A790 L792	A614-L781 HydrophobicContact CB-CB 4.35Å; A614-L781 HydrophobicContact CB-CD1 4.42Å; D617-L781 HydrophobicContact CB-CD1 3.77Å; R775-L781 HydrophobicContact CB-CD1 4.24Å; R775-L781 HydrophobicContact CB-CD2 4.26Å; R775-L781 HydrophobicContact CB-CG 3.98Å; R775-L781 HydrophobicContact CG-CD2 4.12Å; R775-L781 HydrophobicContact CG-CG 4.36Å; H776-L781 PolarHBondContact O-N 2.84Å; H776-L781 VanDerWaalsContact O-N 3.11Å; W777-L781 CarbonylContact C-O 3.54Å; W777-L781 VanDerWaalsContact C-O 3.31Å; W777-L781 CarbonylContact O-C 3.44Å; A779-L781 CarbonylContact C-O 3.09Å; A779-L781 PolarHBondContact N-O 3.15Å; L781-A790 HydrophobicContact CD2-CB 3.26Å; L781-L792 HydrophobicContact CD1-CD1 3.83Å; L781-L792 HydrophobicContact CD2-CD1 3.75Å; L781-L792 HydrophobicContact CG-CD1 4.37Å
782	R	93.9	Very high	93.9	Very high	7 Å²	7	19.5 Å²	19.5	3%	0.026	10%	0.102	C	C	.	.			trans	-156.8	166.3	170	-66.2	174.5	-60.5	132.8	26.8	108.5	D117 D433 A614 D784 D785	D117-R782 IonicContact OD2-NH1 2.82Å; D433-R782 HydrophobicContact CB-CB 4.1Å; D433-R782 HydrophobicContact CB-CG 4.45Å; D433-R782 WeakPolarHBondContact OD2-CD 3.31Å; D433-R782 WeakPolarHBondContact OD2-CG 3.34Å; A614-R782 CarbonylContact O-C 3.54Å; R782-D784 VanDerWaalsContact CB-OD1 3.25Å; R782-D784 WeakPolarHBondContact CB-OD1 3.48Å; R782-D784 IonicContact CZ-OD1 2.71Å; R782-D784 IonicContact CZ-OD2 2.62Å; R782-D784 IonicContact NE-OD1 3.43Å; R782-D784 IonicContact NH1-OD1 3.87Å; R782-D784 IonicContact NH1-OD2 3.65Å; R782-D784 IonicContact NH2-OD1 3.36Å; R782-D784 PolarHBondContact NH2-OD1 3.5Å; R782-D784 IonicContact NH2-OD2 3.89Å; R782-D784 PolarHBondContact NH2-OD2 3.05Å; R782-D784 PolarHBondContact O-N 3.49Å; R782-D785 IonicContact CZ-OD1 3.35Å; R782-D785 IonicContact CZ-OD2 2.63Å; R782-D785 IonicContact NE-OD2 2.68Å; R782-D785 PolarHBondContact NE-OD2 3.09Å; R782-D785 VanDerWaalsContact NH2-CG 3.28Å; R782-D785 IonicContact NH2-OD1 3.61Å; R782-D785 PolarHBondContact NH2-OD1 2.88Å; R782-D785 IonicContact NH2-OD2 3.11Å; R782-D785 PolarHBondContact NH2-OD2 2.73Å; R782-D785 PolarHBondContact O-N 2.79Å
783	P	94.2	Very high	93.9	Very high	16 Å²	16	21.4 Å²	21.4	10%	0.104	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-19.6	175.6	-27.2	33.1	0	0	0	116.7	D433 N609 A614 W777	D433-P783 WeakPolarHBondContact OD1-CD 3.32Å; N609-P783 PolarHBondContact ND2-O 3.31Å; A614-P783 WeakPolarHBondContact O-CA 3.48Å; W777-P783 HydrophobicContact CH2-CG 3.8Å; W777-P783 HydrophobicContact CZ2-CG 3.64Å
784	D	94.7	Very high	93.9	Very high	41 Å²	41	28.6 Å²	28.6	22%	0.219	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-2.2	177.5	71.3	-42.6	0	0	0	114.1	R782 R820	R782-D784 VanDerWaalsContact CB-OD1 3.25Å; R782-D784 WeakPolarHBondContact CB-OD1 3.48Å; R782-D784 IonicContact CZ-OD1 2.71Å; R782-D784 IonicContact CZ-OD2 2.62Å; R782-D784 IonicContact NE-OD1 3.43Å; R782-D784 IonicContact NH1-OD1 3.87Å; R782-D784 IonicContact NH1-OD2 3.65Å; R782-D784 IonicContact NH2-OD1 3.36Å; R782-D784 PolarHBondContact NH2-OD1 3.5Å; R782-D784 IonicContact NH2-OD2 3.89Å; R782-D784 PolarHBondContact NH2-OD2 3.05Å; R782-D784 PolarHBondContact O-N 3.49Å; D784-R820 IonicContact OD2-NH1 3.61Å
785	D	96.4	Very high	93.9	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.141	C	C	.	.	S	Bend	trans	-103.8	130.2	-179.4	-63.3	-32.8	0	0	0	111	G613 A614 R782 R820	G613-D785 CarbonylContact C-O 3.36Å; G613-D785 WeakPolarHBondContact CA-O 3.31Å; A614-D785 PolarHBondContact N-O 3.45Å; R782-D785 IonicContact CZ-OD1 3.35Å; R782-D785 IonicContact CZ-OD2 2.63Å; R782-D785 IonicContact NE-OD2 2.68Å; R782-D785 PolarHBondContact NE-OD2 3.09Å; R782-D785 VanDerWaalsContact NH2-CG 3.28Å; R782-D785 IonicContact NH2-OD1 3.61Å; R782-D785 PolarHBondContact NH2-OD1 2.88Å; R782-D785 IonicContact NH2-OD2 3.11Å; R782-D785 PolarHBondContact NH2-OD2 2.73Å; R782-D785 PolarHBondContact O-N 2.79Å; D785-R820 IonicContact OD1-CZ 3.29Å; D785-R820 IonicContact OD1-NE 3.56Å; D785-R820 IonicContact OD1-NH1 2.93Å; D785-R820 PolarHBondContact OD1-NH1 3.47Å; D785-R820 IonicContact OD1-NH2 3.99Å; D785-R820 PolarHBondContact OD1-NH2 2.84Å; D785-R820 IonicContact OD2-NH2 2.87Å
786	T	97.6	Very high	94.1	Very high	9 Å²	9	24.7 Å²	24.7	6%	0.055	14%	0.138	C	C	.	.			trans	-89.1	154.6	-179	88.5	0	0	0	0	113	L788 E789 A790 L810 Q813	T786-L788 PolarHBondContact O-N 2.89Å; T786-L788 VanDerWaalsContact O-N 3.12Å; T786-L788 PolarHBondContact OG1-N 2.73Å; T786-E789 PolarHBondContact O-N 3.26Å; T786-E789 PolarHBondContact OG1-N 3.46Å; T786-A790 VanDerWaalsContact O-CB 3.3Å; T786-A790 WeakPolarHBondContact O-CB 3.41Å; T786-A790 PolarHBondContact O-N 3.07Å; T786-L810 HydrophobicContact CG2-CD2 4.27Å; T786-Q813 PolarHBondContact OG1-NE2 2.79Å; T786-Q813 PolarHBondContact OG1-OE1 3.01Å
787	P	97.9	Very high	94.4	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-27.6	172.6	-26.9	34.5	0	0	0	114.3	C606 L608 G612 G791 L792 A793 L810	C606-P787 HydrophobicContact CB-CG 4.47Å; L608-P787 HydrophobicContact CD1-CG 4.18Å; L608-P787 HydrophobicContact CD2-CG 3.46Å; L608-P787 VanDerWaalsContact CD2-CG 3.46Å; L608-P787 HydrophobicContact CG-CG 4.47Å; G612-P787 WeakPolarHBondContact O-CD 3.27Å; P787-G791 PolarHBondContact O-N 3.38Å; P787-L792 HydrophobicContact CB-CB 4.15Å; P787-L792 CarbonylContact O-C 3.52Å; P787-L792 WeakPolarHBondContact O-CA 3.42Å; P787-L792 PolarHBondContact O-N 2.99Å; P787-A793 PolarHBondContact O-N 3Å; P787-L810 HydrophobicContact CG-CD1 4.33Å
788	L	97.6	Very high	94.7	Very high	16 Å²	16	25.6 Å²	25.6	8%	0.084	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-45.5	178.9	-54.8	-173.2	0	0	0	111.1	T786 A790 G791 A793 L798 L810 Q813 K814 L818	T786-L788 PolarHBondContact O-N 2.89Å; T786-L788 VanDerWaalsContact O-N 3.12Å; T786-L788 PolarHBondContact OG1-N 2.73Å; L788-A790 VanDerWaalsContact C-N 3.32Å; L788-G791 PolarHBondContact O-N 3.23Å; L788-A793 HydrophobicContact CD2-CB 3.44Å; L788-A793 VanDerWaalsContact CD2-CB 3.44Å; L788-L798 HydrophobicContact CD2-CD1 4.43Å; L788-L810 HydrophobicContact CD1-CB 4.15Å; L788-L810 VanDerWaalsContact CD1-O 3.29Å; L788-L810 WeakPolarHBondContact CD1-O 3.27Å; L788-L810 HydrophobicContact CG-CB 4.48Å; L788-L810 HydrophobicContact CG-CD2 4.32Å; L788-Q813 HydrophobicContact CD1-CB 4.37Å; L788-K814 HydrophobicContact CD1-CB 3.93Å; L788-L818 HydrophobicContact CB-CD2 3.74Å; L788-L818 WeakPolarHBondContact O-CD1 3.2Å
789	E	97.3	Very high	95.7	Very high	21 Å²	21	30.9 Å²	30.9	10%	0.098	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-38.7	176.5	-60	-179.1	143	0	0	111.5	T786 G791 Q813 L818 R820 I822 Y866	T786-E789 PolarHBondContact O-N 3.26Å; T786-E789 PolarHBondContact OG1-N 3.46Å; E789-G791 PolarHBondContact O-N 2.92Å; E789-Q813 VanDerWaalsContact CG-NE2 3.33Å; E789-Q813 PolarHBondContact OE1-NE2 2.93Å; E789-Q813 VanDerWaalsContact OE1-NE2 3.13Å; E789-L818 HydrophobicContact CG-CD2 4.24Å; E789-R820 WeakPolarHBondContact CG-O 3.36Å; E789-I822 PolarHBondContact O-N 3.16Å; E789-Y866 HydrophobicContact CB-CE1 3.99Å
790	A	96.9	Very high	96.1	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-8.1	176.1	0	0	0	0	0	114.3	R775 L781 T786 L788 L792 I822 Y866	R775-A790 PolarHBondContact NE-O 3.34Å; R775-A790 PolarHBondContact NH2-O 3.06Å; L781-A790 HydrophobicContact CD2-CB 3.26Å; T786-A790 VanDerWaalsContact O-CB 3.3Å; T786-A790 WeakPolarHBondContact O-CB 3.41Å; T786-A790 PolarHBondContact O-N 3.07Å; L788-A790 VanDerWaalsContact C-N 3.32Å; A790-L792 VanDerWaalsContact C-N 3.3Å; A790-L792 HydrophobicContact CB-CG 4.25Å; A790-L792 PolarHBondContact O-N 3.37Å; A790-I822 VanDerWaalsContact C-CG2 3.47Å; A790-I822 WeakPolarHBondContact O-CG2 3.23Å; A790-Y866 WeakPolarHBondContact CB-OH 3.33Å
791	G	95.6	Very high	96.2	Very high	32 Å²	32	37.4 Å²	37.4	33%	0.33	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.6	19.4	-176.3	0	0	0	0	0	114.8	P787 L788 E789	P787-G791 PolarHBondContact O-N 3.38Å; L788-G791 PolarHBondContact O-N 3.23Å; E789-G791 PolarHBondContact O-N 2.92Å
792	L	97.1	Very high	96.3	Very high	4 Å²	4	39.5 Å²	39.5	2%	0.021	22%	0.22	C	C	.	.			trans	-96.3	14.7	176	-62.3	-174.1	0	0	0	113.5	Y604 R775 L781 P787 A790 F794 T795	Y604-L792 HydrophobicContact CE1-CD2 4.35Å; R775-L792 HydrophobicContact CB-CD1 4.47Å; R775-L792 HydrophobicContact CG-CD1 4.4Å; R775-L792 HydrophobicContact CG-CD2 4.41Å; R775-L792 HydrophobicContact CG-CG 4.48Å; L781-L792 HydrophobicContact CD1-CD1 3.83Å; L781-L792 HydrophobicContact CD2-CD1 3.75Å; L781-L792 HydrophobicContact CG-CD1 4.37Å; P787-L792 HydrophobicContact CB-CB 4.15Å; P787-L792 CarbonylContact O-C 3.52Å; P787-L792 WeakPolarHBondContact O-CA 3.42Å; P787-L792 PolarHBondContact O-N 2.99Å; A790-L792 VanDerWaalsContact C-N 3.3Å; A790-L792 HydrophobicContact CB-CG 4.25Å; A790-L792 PolarHBondContact O-N 3.37Å; L792-F794 HydrophobicContact CD2-CE1 3.76Å; L792-F794 HydrophobicContact CD2-CZ 4.11Å; L792-F794 PolarHBondContact O-N 2.94Å; L792-T795 HydrophobicContact CB-CG2 4.42Å; L792-T795 PolarHBondContact O-N 2.82Å; L792-T795 PolarHBondContact O-OG1 3.23Å
793	A	96.3	Very high	96.4	Very high	48 Å²	48	42.8 Å²	42.8	40%	0.397	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-50.6	-19.4	-178.8	0	0	0	0	0	115.9	P787 L788 T795 C796	P787-A793 PolarHBondContact O-N 3Å; L788-A793 HydrophobicContact CD2-CB 3.44Å; L788-A793 VanDerWaalsContact CD2-CB 3.44Å; A793-T795 VanDerWaalsContact C-N 3.27Å; A793-T795 PolarHBondContact O-N 2.82Å; A793-C796 PolarHBondContact O-N 2.83Å
794	F	95.6	Very high	96.6	Very high	152 Å²	152	42.2 Å²	42.2	67%	0.667	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-70.1	-19.2	173.7	71.2	-90.1	0	0	0	113.8	Y604 L792 C796	Y604-F794 AromaticContact CD1-CE2 3.99Å; Y604-F794 HydrophobicContact CD1-CE2 3.99Å; Y604-F794 HydrophobicContact CD1-CZ 4.08Å; Y604-F794 HydrophobicContact CE1-CE2 4.38Å; Y604-F794 HydrophobicContact CE1-CZ 4.02Å; L792-F794 HydrophobicContact CD2-CE1 3.76Å; L792-F794 HydrophobicContact CD2-CZ 4.11Å; L792-F794 PolarHBondContact O-N 2.94Å; F794-C796 VanDerWaalsContact C-N 3.26Å
795	T	96.7	Very high	96.8	Very high	2 Å²	2	41 Å²	41	1%	0.012	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-82.9	2.3	174.1	70.7	0	0	0	0	112.7	S592 A593 Y604 L792 A793	S592-T795 CarbonylContact C-O 3.59Å; S592-T795 WeakPolarHBondContact CB-O 3.28Å; S592-T795 PolarHBondContact OG-O 2.85Å; A593-T795 WeakPolarHBondContact CA-O 3.41Å; A593-T795 WeakPolarHBondContact CB-O 3.42Å; A593-T795 PolarHBondContact N-O 2.96Å; Y604-T795 HydrophobicContact CD1-CG2 3.58Å; Y604-T795 HydrophobicContact CE1-CG2 3.65Å; L792-T795 HydrophobicContact CB-CG2 4.42Å; L792-T795 PolarHBondContact O-N 2.82Å; L792-T795 PolarHBondContact O-OG1 3.23Å; A793-T795 VanDerWaalsContact C-N 3.27Å; A793-T795 PolarHBondContact O-N 2.82Å
796	C	98	Very high	96.8	Very high	14 Å²	14	41.5 Å²	41.5	10%	0.095	24%	0.236	C	C	.	.			trans	-110.9	121.2	-175.9	-50.6	0	0	0	0	111.7	S592 A793 F794 L798 F804	S592-C796 CarbonylContact O-C 3.54Å; S592-C796 WeakPolarHBondContact O-CA 3.13Å; A793-C796 PolarHBondContact O-N 2.83Å; F794-C796 VanDerWaalsContact C-N 3.26Å; C796-L798 HydrophobicContact CB-CD1 4.07Å; C796-L798 HydrophobicContact CB-CG 3.85Å; C796-L798 PolarHBondContact O-N 3.36Å; C796-F804 HydrophobicContact CB-CZ 4.39Å
797	K	97.3	Very high	96.8	Very high	16 Å²	16	42.9 Å²	42.9	7%	0.07	24%	0.24	C	C	.	.			trans	-75.5	32.6	-178.1	69.3	-162.9	161.9	-158.9	0	114.8	D588 F591 S592 A593 D594 K799 S800 I802 F804	D588-K797 WeakPolarHBondContact O-CE 3.39Å; D588-K797 PolarHBondContact O-NZ 2.99Å; D588-K797 IonicContact OD1-NZ 2.79Å; F591-K797 WeakPolarHBondContact O-CE 3.48Å; F591-K797 PolarHBondContact O-NZ 3.1Å; S592-K797 VanDerWaalsContact O-CG 3.28Å; S592-K797 WeakPolarHBondContact O-CG 3.29Å; S592-K797 PolarHBondContact O-N 3.22Å; A593-K797 PolarHBondContact O-NZ 2.68Å; D594-K797 HydrophobicContact CB-CB 4.45Å; D594-K797 HydrophobicContact CB-CD 4.3Å; K797-K799 PolarHBondContact O-N 3.15Å; K797-S800 WeakPolarHBondContact O-CB 3.41Å; K797-S800 PolarHBondContact O-N 2.83Å; K797-S800 PolarHBondContact O-OG 3.14Å; K797-I802 HydrophobicContact CD-CB 3.95Å; K797-I802 HydrophobicContact CD-CG2 3.96Å; K797-I802 HydrophobicContact CG-CB 4.47Å; K797-F804 HydrophobicContact CD-CD1 4.32Å; K797-F804 HydrophobicContact CG-CD1 3.72Å; K797-F804 HydrophobicContact CG-CE1 3.91Å
798	L	96.9	Very high	96.8	Very high	31 Å²	31	50.4 Å²	50.4	16%	0.162	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-16.1	-179.5	-62.8	176.8	0	0	0	114.5	L788 C796 F804 R807 L810 E811	L788-L798 HydrophobicContact CD2-CD1 4.43Å; C796-L798 HydrophobicContact CB-CD1 4.07Å; C796-L798 HydrophobicContact CB-CG 3.85Å; C796-L798 PolarHBondContact O-N 3.36Å; L798-F804 HydrophobicContact CD2-CE1 4.05Å; L798-F804 HydrophobicContact CD2-CZ 3.69Å; L798-F804 HydrophobicContact CG-CZ 4.39Å; L798-R807 HydrophobicContact CD2-CG 4.14Å; L798-L810 HydrophobicContact CD2-CB 4.42Å; L798-E811 HydrophobicContact CD2-CG 3.73Å
799	K	95.9	Very high	96.8	Very high	222 Å²	222	51.1 Å²	51.1	97%	0.965	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-6.8	174	-63	-174.2	-179	-177.2	0	114	K797	K797-K799 PolarHBondContact O-N 3.15Å
800	S	95.8	Very high	96.8	Very high	40 Å²	40	50.1 Å²	50.1	28%	0.28	28%	0.275	S	S	.	.	S	Bend	trans	-108.4	169	177.2	75	0	0	0	0	110.5	K797 I802 R807	K797-S800 WeakPolarHBondContact O-CB 3.41Å; K797-S800 PolarHBondContact O-N 2.83Å; K797-S800 PolarHBondContact O-OG 3.14Å; S800-I802 VanDerWaalsContact C-N 3.33Å; S800-I802 PolarHBondContact OG-N 2.69Å; S800-R807 VanDerWaalsContact O-CZ 3.26Å; S800-R807 PolarHBondContact O-NH1 2.9Å; S800-R807 PolarHBondContact O-NH2 2.98Å
801	S	94.6	Very high	96.8	Very high	115 Å²	115	53 Å²	53	80%	0.804	29%	0.289	S	S	*	.	S	Bend	trans	-86.3	1	169.1	51.9	0	0	0	0	113.9	P803	S801-P803 WeakPolarHBondContact O-CD 3.26Å
802	I	96.3	Very high	96.9	Very high	44 Å²	44	57.6 Å²	57.6	23%	0.226	30%	0.297	C	S	.	.			trans	-67.5	121.5	-176.6	-55.5	175.4	0	0	0	109.1	D588 K797 S800 R807	D588-I802 HydrophobicContact CB-CG2 3.89Å; D588-I802 WeakPolarHBondContact OD1-CG2 3.36Å; K797-I802 HydrophobicContact CD-CB 3.95Å; K797-I802 HydrophobicContact CD-CG2 3.96Å; K797-I802 HydrophobicContact CG-CB 4.47Å; S800-I802 VanDerWaalsContact C-N 3.33Å; S800-I802 PolarHBondContact OG-N 2.69Å; I802-R807 PolarHBondContact O-NH1 2.95Å
803	P	96.8	Very high	96.9	Very high	76 Å²	76	58.6 Å²	58.6	49%	0.494	30%	0.301	S	S	.	.			trans	-70.1	150.6	178.2	30.7	-35.2	0	0	0	110.6	W589 S801	W589-P803 HydrophobicContact CE3-CB 4.25Å; W589-P803 HydrophobicContact CZ3-CB 4.15Å; S801-P803 WeakPolarHBondContact O-CD 3.26Å
804	F	98.1	Very high	96.9	Very high	4 Å²	4	63 Å²	63	2%	0.018	31%	0.311	C	S	.	.			trans	-153.1	157.4	169	63.1	-86.7	0	0	0	109.4	W589 L608 C796 K797 L798 G806 R807 L810	W589-F804 WeakPolarHBondContact O-CA 3.38Å; L608-F804 HydrophobicContact CD1-CD2 4.12Å; L608-F804 HydrophobicContact CD1-CE2 3.78Å; C796-F804 HydrophobicContact CB-CZ 4.39Å; K797-F804 HydrophobicContact CD-CD1 4.32Å; K797-F804 HydrophobicContact CG-CD1 3.72Å; K797-F804 HydrophobicContact CG-CE1 3.91Å; L798-F804 HydrophobicContact CD2-CE1 4.05Å; L798-F804 HydrophobicContact CD2-CZ 3.69Å; L798-F804 HydrophobicContact CG-CZ 4.39Å; F804-G806 PolarHBondContact O-N 3.18Å; F804-R807 HydrophobicContact CD1-CB 3.96Å; F804-R807 HydrophobicContact CD1-CG 4.16Å; F804-R807 HydrophobicContact CD2-CB 4.08Å; F804-R807 HydrophobicContact CE1-CB 3.74Å; F804-R807 HydrophobicContact CE1-CG 3.63Å; F804-R807 HydrophobicContact CE2-CB 3.86Å; F804-R807 HydrophobicContact CE2-CG 4.49Å; F804-R807 HydrophobicContact CG-CB 4.13Å; F804-R807 HydrophobicContact CZ-CB 3.69Å; F804-R807 HydrophobicContact CZ-CG 3.82Å; F804-R807 WeakPolarHBondContact O-CB 3.4Å; F804-R807 PolarHBondContact O-N 3.33Å; F804-L810 HydrophobicContact CE2-CD1 4.21Å; F804-L810 HydrophobicContact CZ-CD1 4.48Å
805	Q	97.8	Very high	97	Very high	16 Å²	16	63.8 Å²	63.8	8%	0.075	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	133.8	-177.1	-169.5	162.5	-27.7	0	0	111.8	W589 L608 K610 R807	W589-Q805 HydrophobicContact CD2-CB 4.47Å; W589-Q805 HydrophobicContact CZ2-CB 3.95Å; W589-Q805 HydrophobicContact CZ2-CG 4.15Å; W589-Q805 PolarHBondContact O-N 3.37Å; L608-Q805 WeakPolarHBondContact CB-O 3.42Å; L608-Q805 VanDerWaalsContact O-CG 3.27Å; L608-Q805 WeakPolarHBondContact O-CG 3.44Å; K610-Q805 HydrophobicContact CG-CG 4.43Å; Q805-R807 VanDerWaalsContact C-N 3.26Å; Q805-R807 PolarHBondContact O-N 3.26Å
806	G	97	Very high	96.9	Very high	10 Å²	10	69.1 Å²	69.1	10%	0.103	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.5	-0.5	179.5	0	0	0	0	0	116	N609 F804 E808 T809 L810	N609-G806 VanDerWaalsContact O-CA 3.31Å; N609-G806 WeakPolarHBondContact O-CA 3.42Å; F804-G806 PolarHBondContact O-N 3.18Å; G806-E808 PolarHBondContact O-N 3.36Å; G806-T809 PolarHBondContact O-N 2.97Å; G806-T809 VanDerWaalsContact O-N 3.15Å; G806-L810 PolarHBondContact O-N 3.42Å
807	R	98	Very high	96.8	Very high	37 Å²	37	69.4 Å²	69.4	14%	0.14	35%	0.347	C	S	.	.	H	α-helix	trans	-47.8	-54	-178.8	176.1	178.5	176.8	131.7	9.1	114	L798 S800 I802 F804 Q805 T809 L810 E811	L798-R807 HydrophobicContact CD2-CG 4.14Å; S800-R807 VanDerWaalsContact O-CZ 3.26Å; S800-R807 PolarHBondContact O-NH1 2.9Å; S800-R807 PolarHBondContact O-NH2 2.98Å; I802-R807 PolarHBondContact O-NH1 2.95Å; F804-R807 HydrophobicContact CD1-CB 3.96Å; F804-R807 HydrophobicContact CD1-CG 4.16Å; F804-R807 HydrophobicContact CD2-CB 4.08Å; F804-R807 HydrophobicContact CE1-CB 3.74Å; F804-R807 HydrophobicContact CE1-CG 3.63Å; F804-R807 HydrophobicContact CE2-CB 3.86Å; F804-R807 HydrophobicContact CE2-CG 4.49Å; F804-R807 HydrophobicContact CG-CB 4.13Å; F804-R807 HydrophobicContact CZ-CB 3.69Å; F804-R807 HydrophobicContact CZ-CG 3.82Å; F804-R807 WeakPolarHBondContact O-CB 3.4Å; F804-R807 PolarHBondContact O-N 3.33Å; Q805-R807 VanDerWaalsContact C-N 3.26Å; Q805-R807 PolarHBondContact O-N 3.26Å; R807-T809 PolarHBondContact O-N 3.33Å; R807-L810 WeakPolarHBondContact O-CA 3.37Å; R807-L810 WeakPolarHBondContact O-CB 3.37Å; R807-L810 PolarHBondContact O-N 3.48Å; R807-E811 HydrophobicContact CG-CG 4.35Å; R807-E811 IonicContact CZ-OE1 2.65Å; R807-E811 IonicContact NE-OE1 3.9Å; R807-E811 PolarHBondContact NE-OE1 2.96Å; R807-E811 IonicContact NE-OE2 3.32Å; R807-E811 PolarHBondContact NE-OE2 2.87Å; R807-E811 IonicContact NH2-OE1 3.94Å; R807-E811 PolarHBondContact NH2-OE1 2.85Å; R807-E811 PolarHBondContact O-N 2.95Å
808	E	97.5	Very high	96.8	Very high	158 Å²	158	70 Å²	70	74%	0.738	35%	0.351	S	S	*	.	H	α-helix	trans	-57.7	-35.8	-176.2	-63.2	172.9	-179.5	0	0	112.4	G806 E811 R812	G806-E808 PolarHBondContact O-N 3.36Å; E808-E811 PolarHBondContact O-N 3.49Å; E808-R812 PolarHBondContact O-N 3Å
809	T	96.8	Very high	96.8	Very high	31 Å²	31	74 Å²	74	19%	0.19	36%	0.364	C	S	.	.	H	α-helix	trans	-68.6	-36.6	176.7	-63.3	0	0	0	0	111.4	R611 G806 R807 Q813	R611-T809 VanDerWaalsContact O-CG2 3.25Å; R611-T809 WeakPolarHBondContact O-CG2 3.45Å; G806-T809 PolarHBondContact O-N 2.97Å; G806-T809 VanDerWaalsContact O-N 3.15Å; R807-T809 PolarHBondContact O-N 3.33Å; T809-Q813 WeakPolarHBondContact O-CB 3.26Å; T809-Q813 PolarHBondContact O-N 2.86Å
810	L	98.1	Very high	96.8	Very high	0 Å²	0	64 Å²	64	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-71.9	-34.8	175.2	-57.8	-167.6	0	0	0	112.3	L608 T786 P787 L788 L798 F804 G806 R807 K814	L608-L810 HydrophobicContact CD1-CD1 3.74Å; T786-L810 HydrophobicContact CG2-CD2 4.27Å; P787-L810 HydrophobicContact CG-CD1 4.33Å; L788-L810 HydrophobicContact CD1-CB 4.15Å; L788-L810 VanDerWaalsContact CD1-O 3.29Å; L788-L810 WeakPolarHBondContact CD1-O 3.27Å; L788-L810 HydrophobicContact CG-CB 4.48Å; L788-L810 HydrophobicContact CG-CD2 4.32Å; L798-L810 HydrophobicContact CD2-CB 4.42Å; F804-L810 HydrophobicContact CE2-CD1 4.21Å; F804-L810 HydrophobicContact CZ-CD1 4.48Å; G806-L810 PolarHBondContact O-N 3.42Å; R807-L810 WeakPolarHBondContact O-CA 3.37Å; R807-L810 WeakPolarHBondContact O-CB 3.37Å; R807-L810 PolarHBondContact O-N 3.48Å; L810-K814 VanDerWaalsContact O-CB 3.24Å; L810-K814 WeakPolarHBondContact O-CB 3.36Å; L810-K814 PolarHBondContact O-N 2.97Å
811	E	97.8	Very high	96.9	Very high	61 Å²	61	65 Å²	65	29%	0.285	32%	0.318	S	S	.	.	H	α-helix	trans	-63.8	-51	175	-70.6	175.4	146.5	0	0	110.3	L798 R807 E808 Q813 K814 E815	L798-E811 HydrophobicContact CD2-CG 3.73Å; R807-E811 HydrophobicContact CG-CG 4.35Å; R807-E811 IonicContact CZ-OE1 2.65Å; R807-E811 IonicContact NE-OE1 3.9Å; R807-E811 PolarHBondContact NE-OE1 2.96Å; R807-E811 IonicContact NE-OE2 3.32Å; R807-E811 PolarHBondContact NE-OE2 2.87Å; R807-E811 IonicContact NH2-OE1 3.94Å; R807-E811 PolarHBondContact NH2-OE1 2.85Å; R807-E811 PolarHBondContact O-N 2.95Å; E808-E811 PolarHBondContact O-N 3.49Å; E811-Q813 PolarHBondContact O-N 3.04Å; E811-K814 WeakPolarHBondContact O-CB 3.36Å; E811-K814 PolarHBondContact O-N 2.81Å; E811-E815 PolarHBondContact O-N 3.24Å
812	R	97.4	Very high	97	Very high	129 Å²	129	60 Å²	60	49%	0.487	28%	0.282	S	S	.	.	H	α-helix	trans	-58.9	-47.2	173.8	-174.2	-179.3	68.4	-130.5	-8.4	112.7	E808 K814 E815 E816	E808-R812 PolarHBondContact O-N 3Å; R812-K814 PolarHBondContact O-N 2.91Å; R812-E815 PolarHBondContact O-N 3.27Å; R812-E815 VanDerWaalsContact O-N 3.07Å; R812-E816 VanDerWaalsContact CD-OE1 3.26Å; R812-E816 WeakPolarHBondContact CD-OE1 3.38Å; R812-E816 HydrophobicContact CG-CG 4.12Å; R812-E816 VanDerWaalsContact CG-OE1 3.24Å; R812-E816 WeakPolarHBondContact CG-OE1 3.43Å; R812-E816 IonicContact NE-OE1 2.64Å; R812-E816 WeakPolarHBondContact O-CG 3.34Å; R812-E816 PolarHBondContact O-N 3.48Å
813	Q	96.9	Very high	97.1	Very high	24 Å²	24	58 Å²	58	11%	0.112	27%	0.272	C	S	.	.	H	α-helix	trans	-62.1	-31.8	-179.9	-174.1	-174.4	47.1	0	0	112.5	T786 L788 E789 T809 E811 G817 L818	T786-Q813 PolarHBondContact OG1-NE2 2.79Å; T786-Q813 PolarHBondContact OG1-OE1 3.01Å; L788-Q813 HydrophobicContact CD1-CB 4.37Å; E789-Q813 VanDerWaalsContact CG-NE2 3.33Å; E789-Q813 PolarHBondContact OE1-NE2 2.93Å; E789-Q813 VanDerWaalsContact OE1-NE2 3.13Å; T809-Q813 WeakPolarHBondContact O-CB 3.26Å; T809-Q813 PolarHBondContact O-N 2.86Å; E811-Q813 PolarHBondContact O-N 3.04Å; Q813-G817 PolarHBondContact O-N 3.37Å; Q813-G817 VanDerWaalsContact O-N 3.09Å; Q813-L818 HydrophobicContact CG-CD2 3.9Å
814	K	96.1	Very high	97.1	Very high	142 Å²	142	54.4 Å²	54.4	62%	0.617	25%	0.248	S	C	*	.	H	α-helix	trans	-70.7	-34.8	175.1	-177.8	-172.1	168.8	-154	0	112.2	L788 L810 E811 R812	L788-K814 HydrophobicContact CD1-CB 3.93Å; L810-K814 VanDerWaalsContact O-CB 3.24Å; L810-K814 WeakPolarHBondContact O-CB 3.36Å; L810-K814 PolarHBondContact O-N 2.97Å; E811-K814 WeakPolarHBondContact O-CB 3.36Å; E811-K814 PolarHBondContact O-N 2.81Å; R812-K814 PolarHBondContact O-N 2.91Å
815	E	96.3	Very high	97.2	Very high	167 Å²	167	54.2 Å²	54.2	78%	0.78	25%	0.248	S	C	*	.	H	α-helix	trans	-74.6	-45.2	176.2	-68.7	172.1	178.5	0	0	111.9	E811 R812 G817	E811-E815 PolarHBondContact O-N 3.24Å; R812-E815 PolarHBondContact O-N 3.27Å; R812-E815 VanDerWaalsContact O-N 3.07Å; E815-G817 VanDerWaalsContact C-N 3.32Å; E815-G817 PolarHBondContact O-N 3.01Å
816	E	96	Very high	97.2	Very high	114 Å²	114	53.7 Å²	53.7	53%	0.533	25%	0.246	S	C	.	.	H	α-helix	trans	-71.2	-24.6	-179.7	-69.6	173.2	169.9	0	0	113.8	R812 R819	R812-E816 VanDerWaalsContact CD-OE1 3.26Å; R812-E816 WeakPolarHBondContact CD-OE1 3.38Å; R812-E816 HydrophobicContact CG-CG 4.12Å; R812-E816 VanDerWaalsContact CG-OE1 3.24Å; R812-E816 WeakPolarHBondContact CG-OE1 3.43Å; R812-E816 IonicContact NE-OE1 2.64Å; R812-E816 WeakPolarHBondContact O-CG 3.34Å; R812-E816 PolarHBondContact O-N 3.48Å; E816-R819 PolarHBondContact O-NH1 3.02Å
817	G	96.4	Very high	97.2	Very high	21 Å²	21	53.3 Å²	53.3	22%	0.216	24%	0.241	C	C	.	.			trans	83.6	140.4	-177.3	0	0	0	0	0	114.1	Q813 E815 R819	Q813-G817 PolarHBondContact O-N 3.37Å; Q813-G817 VanDerWaalsContact O-N 3.09Å; E815-G817 VanDerWaalsContact C-N 3.32Å; E815-G817 PolarHBondContact O-N 3.01Å; G817-R819 PolarHBondContact O-N 3.39Å; G817-R819 PolarHBondContact O-NH1 3.44Å
818	L	97.2	Very high	97.1	Very high	29 Å²	29	57.3 Å²	57.3	15%	0.152	27%	0.266	C	S	.	.			trans	-63.2	118.6	-172.4	-51.8	-178.1	0	0	0	112.4	L788 E789 Q813 R821 V874 V875	L788-L818 HydrophobicContact CB-CD2 3.74Å; L788-L818 WeakPolarHBondContact O-CD1 3.2Å; E789-L818 HydrophobicContact CG-CD2 4.24Å; Q813-L818 HydrophobicContact CG-CD2 3.9Å; L818-R821 HydrophobicContact CD1-CG 4.42Å; L818-V874 CarbonylContact O-C 2.98Å; L818-V874 WeakPolarHBondContact O-CA 3.27Å; L818-V875 PolarHBondContact O-N 2.89Å
819	R	96.5	Very high	97	Very high	113 Å²	113	55.2 Å²	55.2	43%	0.426	26%	0.256	S	S	.	.	S	Bend	trans	-84.4	-12.7	173.6	-64.2	-55.1	-166.5	-79.7	4.9	113.8	E816 G817 G872 G873 V875	E816-R819 PolarHBondContact O-NH1 3.02Å; G817-R819 PolarHBondContact O-N 3.39Å; G817-R819 PolarHBondContact O-NH1 3.44Å; R819-G872 WeakPolarHBondContact CD-O 3.36Å; R819-G872 PolarHBondContact NE-O 3.33Å; R819-G873 WeakPolarHBondContact CD-O 3.39Å; R819-V875 WeakPolarHBondContact O-CG2 3.41Å
820	R	95.9	Very high	97	Very high	14 Å²	14	58.1 Å²	58.1	5%	0.053	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	143.9	177.4	-177.5	-168.7	169.6	174.1	-3.8	107.8	D784 D785 E789 Y866 I867 R868	D784-R820 IonicContact OD2-NH1 3.61Å; D785-R820 IonicContact OD1-CZ 3.29Å; D785-R820 IonicContact OD1-NE 3.56Å; D785-R820 IonicContact OD1-NH1 2.93Å; D785-R820 PolarHBondContact OD1-NH1 3.47Å; D785-R820 IonicContact OD1-NH2 3.99Å; D785-R820 PolarHBondContact OD1-NH2 2.84Å; D785-R820 IonicContact OD2-NH2 2.87Å; E789-R820 WeakPolarHBondContact CG-O 3.36Å; R820-Y866 HydrophobicContact CG-CD1 3.85Å; R820-Y866 HydrophobicContact CG-CG 4.24Å; R820-Y866 VanDerWaalsContact NE-CD1 3.3Å; R820-I867 WeakPolarHBondContact CA-O 3.31Å; R820-R868 HydrophobicContact CB-CG 4.11Å; R820-R868 HydrophobicContact CG-CG 4.08Å
821	R	96.5	Very high	96.8	Very high	59 Å²	59	59.3 Å²	59.3	22%	0.223	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	139.2	178	-169.7	-180	176.4	166	3.1	111.9	L818 Y866 I867 V875	L818-R821 HydrophobicContact CD1-CG 4.42Å; R821-Y866 WeakPolarHBondContact O-CA 3.45Å; R821-I867 PolarHBondContact N-O 3.48Å; R821-I867 PolarHBondContact O-N 2.94Å; R821-V875 HydrophobicContact CB-CB 4.2Å; R821-V875 HydrophobicContact CB-CG1 3.8Å
822	I	97.4	Very high	96.7	Very high	10 Å²	10	56.6 Å²	56.6	5%	0.051	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	134.4	171.5	-151.2	175.6	0	0	0	110.5	D780 E789 A790 Y864 G865 Y866	D780-I822 HydrophobicContact CB-CD1 4Å; E789-I822 PolarHBondContact O-N 3.16Å; A790-I822 VanDerWaalsContact C-CG2 3.47Å; A790-I822 WeakPolarHBondContact O-CG2 3.23Å; I822-Y864 HydrophobicContact CD1-CD1 4.25Å; I822-Y864 HydrophobicContact CG1-CD1 4.31Å; I822-G865 WeakPolarHBondContact CA-O 3.32Å; I822-Y866 HydrophobicContact CB-CD1 3.89Å; I822-Y866 HydrophobicContact CB-CD2 4.37Å; I822-Y866 HydrophobicContact CB-CE1 3.72Å; I822-Y866 HydrophobicContact CB-CE2 4.21Å; I822-Y866 HydrophobicContact CB-CG 4.22Å; I822-Y866 HydrophobicContact CD1-CD2 4.38Å; I822-Y866 HydrophobicContact CD1-CE2 3.84Å; I822-Y866 HydrophobicContact CG1-CD1 4.5Å; I822-Y866 HydrophobicContact CG1-CD2 4.11Å; I822-Y866 HydrophobicContact CG1-CE1 4.42Å; I822-Y866 HydrophobicContact CG1-CE2 4Å; I822-Y866 HydrophobicContact CG1-CG 4.35Å; I822-Y866 VanDerWaalsContact N-CD1 3.35Å
823	V	98.1	Very high	96.6	Very high	2 Å²	2	50.6 Å²	50.6	1%	0.012	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	141.3	-178.6	179.5	0	0	0	0	108.6	F825 Y864 G865 I867 I880 A898	V823-F825 HydrophobicContact CB-CE2 3.72Å; V823-F825 HydrophobicContact CB-CZ 3.71Å; V823-F825 HydrophobicContact CG1-CE1 3.97Å; V823-F825 HydrophobicContact CG1-CE2 3.89Å; V823-F825 HydrophobicContact CG1-CZ 3.59Å; V823-F825 WeakPolarHBondContact O-CD2 3.35Å; V823-F825 WeakPolarHBondContact O-CE2 3.39Å; V823-Y864 WeakPolarHBondContact O-CA 3.12Å; V823-G865 PolarHBondContact N-O 2.81Å; V823-G865 PolarHBondContact O-N 3.27Å; V823-G865 VanDerWaalsContact O-N 3.14Å; V823-I867 HydrophobicContact CG2-CD1 4.01Å; V823-I867 HydrophobicContact CG2-CG1 4.08Å; V823-I880 HydrophobicContact CG1-CG2 4.24Å; V823-I880 HydrophobicContact CG2-CD1 3.58Å; V823-I880 HydrophobicContact CG2-CG1 4.2Å; V823-A898 HydrophobicContact CG1-CB 3.92Å
824	C	98.2	Very high	96.4	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.007	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	135.4	171.9	179.6	0	0	0	0	109.1	G863 Y864 A898 H899	C824-G863 CarbonylContact C-O 3.52Å; C824-Y864 HydrophobicContact CB-CD1 4.17Å; C824-Y864 HydrophobicContact CB-CE1 3.56Å; C824-Y864 HydrophobicContact CB-CE2 4.04Å; C824-Y864 VanDerWaalsContact CB-CZ 3.48Å; C824-A898 CarbonylContact O-C 3.52Å; C824-A898 WeakPolarHBondContact O-CA 3.46Å; C824-H899 HydrophobicContact CB-CB 4.15Å; C824-H899 PolarHBondContact N-O 2.66Å; C824-H899 PolarHBondContact O-N 3.28Å
825	F	98.5	Very high	96.3	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	137.1	174.8	-61.5	-82.5	0	0	0	109.3	V823 I839 L849 L862 G863 I867 F885 L887 A896 K897 A898	V823-F825 HydrophobicContact CB-CE2 3.72Å; V823-F825 HydrophobicContact CB-CZ 3.71Å; V823-F825 HydrophobicContact CG1-CE1 3.97Å; V823-F825 HydrophobicContact CG1-CE2 3.89Å; V823-F825 HydrophobicContact CG1-CZ 3.59Å; V823-F825 WeakPolarHBondContact O-CD2 3.35Å; V823-F825 WeakPolarHBondContact O-CE2 3.39Å; F825-I839 HydrophobicContact CD2-CD1 4.42Å; F825-I839 HydrophobicContact CE1-CG2 4.15Å; F825-I839 HydrophobicContact CE2-CD1 3.78Å; F825-I839 HydrophobicContact CE2-CG1 4.44Å; F825-I839 HydrophobicContact CE2-CG2 4.27Å; F825-I839 HydrophobicContact CZ-CD1 4.33Å; F825-I839 HydrophobicContact CZ-CG2 3.82Å; F825-L849 HydrophobicContact CD2-CD2 3.96Å; F825-L862 CarbonylContact O-C 3.59Å; F825-L862 WeakPolarHBondContact O-CA 3.23Å; F825-L862 WeakPolarHBondContact O-CB 3.23Å; F825-G863 PolarHBondContact N-O 2.83Å; F825-G863 PolarHBondContact O-N 2.82Å; F825-I867 HydrophobicContact CE2-CG2 4.3Å; F825-I867 HydrophobicContact CZ-CG2 3.85Å; F825-F885 HydrophobicContact CD1-CB 4.37Å; F825-F885 HydrophobicContact CD1-CG 4.48Å; F825-F885 HydrophobicContact CE1-CB 4.14Å; F825-F885 AromaticContact CE1-CD1 3.55Å; F825-F885 HydrophobicContact CE1-CD1 3.55Å; F825-F885 HydrophobicContact CE1-CD2 4.47Å; F825-F885 HydrophobicContact CE1-CE1 4.01Å; F825-F885 AromaticContact CE1-CG 3.79Å; F825-F885 HydrophobicContact CE1-CG 3.79Å; F825-F885 HydrophobicContact CZ-CD1 4.15Å; F825-F885 HydrophobicContact CZ-CE1 4.27Å; F825-L887 HydrophobicContact CB-CD1 3.85Å; F825-L887 HydrophobicContact CG-CD2 4.38Å; F825-A896 HydrophobicContact CB-CB 4.37Å; F825-A896 HydrophobicContact CD1-CB 4.39Å; F825-K897 WeakPolarHBondContact CA-O 3.48Å; F825-A898 HydrophobicContact CD1-CB 4.08Å; F825-A898 HydrophobicContact CE1-CB 3.81Å
826	T	98.4	Very high	96.3	Very high	5 Å²	5	38.7 Å²	38.7	3%	0.031	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	141.4	170.6	61.3	0	0	0	0	111	K860 T861 L862 A896 K897 H899 P903	T826-K860 HydrophobicContact CG2-CD 4.39Å; T826-T861 WeakPolarHBondContact CA-O 3.34Å; T826-L862 HydrophobicContact CG2-CB 4.06Å; T826-A896 WeakPolarHBondContact O-CA 3.47Å; T826-K897 PolarHBondContact N-O 3.48Å; T826-K897 PolarHBondContact O-N 2.72Å; T826-H899 WeakPolarHBondContact CG2-NE2 3.44Å; T826-H899 PolarHBondContact OG1-NE2 2.9Å; T826-P903 HydrophobicContact CG2-CG 4.11Å
827	I	98.3	Very high	96.3	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.01	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	139.7	167.8	-65.4	160.8	0	0	0	107.5	E829 M833 K860 T861 L887 Y894 A896	I827-E829 HydrophobicContact CG2-CB 3.94Å; I827-M833 HydrophobicContact CD1-CE 3.36Å; I827-M833 HydrophobicContact CD1-SD 3.84Å; I827-K860 WeakPolarHBondContact O-CB 3.24Å; I827-T861 HydrophobicContact CD1-CG2 4.44Å; I827-T861 PolarHBondContact N-O 3.02Å; I827-T861 PolarHBondContact O-N 2.78Å; I827-L887 HydrophobicContact CD1-CB 4.23Å; I827-L887 HydrophobicContact CD1-CD1 3.76Å; I827-L887 HydrophobicContact CD1-CG 4.49Å; I827-L887 HydrophobicContact CG1-CD1 4.23Å; I827-Y894 HydrophobicContact CD1-CG 4.45Å; I827-A896 HydrophobicContact CG1-CB 4.17Å
828	D	96	Very high	96.4	Very high	122 Å²	122	32.4 Å²	32.4	65%	0.652	15%	0.151	S	C	*	.	S	Bend	trans	-79	-21.9	-179.1	-65.6	-40.4	0	0	0	112.9	K860	D828-K860 IonicContact OD1-NZ 3.18Å; D828-K860 PolarHBondContact OD1-NZ 2.92Å
829	E	94.8	Very high	96.5	Very high	113 Å²	113	31 Å²	31	53%	0.528	14%	0.144	S	C	.	.	S	Bend	trans	-80.5	149.1	172.7	-63.6	166.9	-126.4	0	0	112.2	I827 I831 T861	I827-E829 HydrophobicContact CG2-CB 3.94Å; E829-I831 VanDerWaalsContact C-N 3.3Å; E829-I831 HydrophobicContact CB-CD1 4.33Å; E829-I831 HydrophobicContact CB-CG1 3.88Å; E829-I831 PolarHBondContact O-N 2.83Å; E829-T861 PolarHBondContact O-OG1 3.46Å
830	K	95.4	Very high	96.6	Very high	92 Å²	92	26.8 Å²	26.8	40%	0.4	13%	0.128	S	C	.	.			trans	-77.3	80	174.8	-177.8	165.7	-177.9	-170.6	0	111.9	F547 Y854	F547-K830 HydrophobicContact CD2-CG 4.3Å; F547-K830 HydrophobicContact CE2-CD 4.25Å; F547-K830 HydrophobicContact CE2-CG 3.48Å; F547-K830 VanDerWaalsContact CE2-CG 3.48Å; F547-K830 HydrophobicContact CZ-CG 3.84Å; K830-Y854 HydrophobicContact CB-CE2 3.83Å; K830-Y854 HydrophobicContact CD-CE1 4.43Å; K830-Y854 HydrophobicContact CD-CE2 4Å; K830-Y854 HydrophobicContact CG-CD2 4.04Å; K830-Y854 HydrophobicContact CG-CE2 3.54Å
831	I	95.8	Very high	96.7	Very high	25 Å²	25	28 Å²	28	13%	0.128	13%	0.133	C	C	.	.			trans	-84.7	108.6	176.5	-15.5	-83.8	0	0	0	119	E829 M833 T861 R889 Y894	E829-I831 VanDerWaalsContact C-N 3.3Å; E829-I831 HydrophobicContact CB-CD1 4.33Å; E829-I831 HydrophobicContact CB-CG1 3.88Å; E829-I831 PolarHBondContact O-N 2.83Å; I831-M833 PolarHBondContact O-N 2.97Å; I831-T861 VanDerWaalsContact C-OG1 3.32Å; I831-T861 WeakPolarHBondContact CA-OG1 3.18Å; I831-T861 PolarHBondContact N-OG1 3.34Å; I831-T861 WeakPolarHBondContact O-CB 3.44Å; I831-T861 WeakPolarHBondContact O-CG2 3.38Å; I831-T861 PolarHBondContact O-OG1 3.5Å; I831-R889 VanDerWaalsContact CG2-CD 3.47Å; I831-Y894 HydrophobicContact CB-CE1 4.44Å; I831-Y894 HydrophobicContact CD1-CD1 4.45Å; I831-Y894 HydrophobicContact CD1-CE1 3.74Å; I831-Y894 HydrophobicContact CG1-CD1 3.88Å; I831-Y894 HydrophobicContact CG1-CE1 3.62Å; I831-Y894 HydrophobicContact CG2-CE1 4.26Å; I831-Y894 HydrophobicContact CG2-CE2 4.32Å
832	P	95.1	Very high	96.7	Very high	4 Å²	4	29.7 Å²	29.7	3%	0.026	15%	0.146	C	C	.	.			trans	-74.9	114.9	172.6	9	-0.3	0	0	0	110.7	D546 F547 F834 R889	D546-P832 WeakPolarHBondContact OD1-CG 3.2Å; F547-P832 HydrophobicContact CD1-CB 4.13Å; F547-P832 HydrophobicContact CD2-CB 4.01Å; F547-P832 HydrophobicContact CD2-CG 3.63Å; F547-P832 HydrophobicContact CE1-CB 3.94Å; F547-P832 HydrophobicContact CE2-CB 3.81Å; F547-P832 VanDerWaalsContact CE2-CD 3.46Å; F547-P832 HydrophobicContact CE2-CG 3.52Å; F547-P832 HydrophobicContact CG-CB 4.18Å; F547-P832 HydrophobicContact CG-CG 4.21Å; F547-P832 HydrophobicContact CZ-CB 3.8Å; F547-P832 HydrophobicContact CZ-CG 4.04Å; P832-F834 HydrophobicContact CB-CE2 4.41Å; P832-F834 HydrophobicContact CB-CZ 3.98Å; P832-R889 WeakPolarHBondContact O-CD 3.33Å; P832-R889 PolarHBondContact O-NE 3.37Å
833	M	95.4	Very high	96.6	Very high	4 Å²	4	32.1 Å²	32.1	2%	0.02	17%	0.173	C	C	.	.			trans	-130.1	149.5	176.2	-69	-175.8	173.1	0	0	109.1	I827 I831 E837 L849 A852 T861 L887 R889 Y894	I827-M833 HydrophobicContact CD1-CE 3.36Å; I827-M833 HydrophobicContact CD1-SD 3.84Å; I831-M833 PolarHBondContact O-N 2.97Å; M833-E837 HydrophobicContact CB-CG 4.43Å; M833-E837 HydrophobicContact CG-CG 4.18Å; M833-E837 HydrophobicContact SD-CG 4.46Å; M833-L849 HydrophobicContact SD-CD1 4Å; M833-A852 HydrophobicContact CB-CB 3.63Å; M833-A852 CarbonylContact O-C 3.59Å; M833-T861 HydrophobicContact CB-CG2 4.29Å; M833-T861 HydrophobicContact CG-CG2 4.13Å; M833-T861 HydrophobicContact SD-CG2 4.02Å; M833-L887 HydrophobicContact CE-CB 3.89Å; M833-L887 HydrophobicContact CE-CD1 4.49Å; M833-L887 HydrophobicContact SD-CB 4.34Å; M833-L887 HydrophobicContact SD-CD1 4.05Å; M833-R889 HydrophobicContact CE-CB 4.04Å; M833-Y894 HydrophobicContact CE-CD2 4.11Å
834	F	92.3	Very high	96.6	Very high	37 Å²	37	35.4 Å²	35.4	16%	0.162	19%	0.194	C	C	.	.			trans	-132.4	-15.1	-170.4	-52	-70.5	0	0	0	114.5	P470 F471 F545 P832 E837	P470-F834 HydrophobicContact CB-CB 4.22Å; P470-F834 HydrophobicContact CB-CD1 3.85Å; P470-F834 HydrophobicContact CB-CE1 4.38Å; P470-F834 HydrophobicContact CB-CG 3.95Å; P470-F834 HydrophobicContact CG-CB 4.05Å; P470-F834 HydrophobicContact CG-CD1 3.77Å; P470-F834 HydrophobicContact CG-CD2 3.66Å; P470-F834 HydrophobicContact CG-CE1 4.11Å; P470-F834 HydrophobicContact CG-CE2 4Å; P470-F834 HydrophobicContact CG-CG 3.53Å; P470-F834 HydrophobicContact CG-CZ 4.21Å; F471-F834 HydrophobicContact CE1-CD1 4.48Å; F471-F834 HydrophobicContact CE2-CD1 4.07Å; F471-F834 AromaticContact CE2-CE1 3.6Å; F471-F834 HydrophobicContact CE2-CE1 3.6Å; F471-F834 AromaticContact CZ-CD1 3.61Å; F471-F834 HydrophobicContact CZ-CD1 3.61Å; F471-F834 AromaticContact CZ-CE1 3.59Å; F471-F834 HydrophobicContact CZ-CE1 3.59Å; F545-F834 HydrophobicContact CB-CE2 4.42Å; F545-F834 WeakPolarHBondContact O-CE2 3.38Å; P832-F834 HydrophobicContact CB-CE2 4.41Å; P832-F834 HydrophobicContact CB-CZ 3.98Å; F834-E837 PolarHBondContact N-OE1 2.71Å; F834-E837 PolarHBondContact N-OE2 2.92Å
835	G	94.1	Very high	96.5	Very high	6 Å²	6	37.7 Å²	37.7	6%	0.062	21%	0.208	C	C	.	.	S	Bend	trans	122.2	157.4	-165.9	0	0	0	0	0	111.3	R164 E837	R164-G835 PolarHBondContact NH2-O 3.03Å; G835-E837 WeakPolarHBondContact CA-OE2 3.42Å; G835-E837 PolarHBondContact N-OE2 2.92Å; G835-E837 PolarHBondContact O-N 3.08Å; G835-E837 VanDerWaalsContact O-OE2 3.09Å
836	L	95.6	Very high	96.5	Very high	39 Å²	39	38.2 Å²	38.2	20%	0.204	21%	0.211	C	C	.	.			trans	65.9	-0.1	-173.7	-52.9	174.1	0	0	0	115.6	D117 L168 A838 L849	D117-L836 HydrophobicContact CB-CD2 4.06Å; L168-L836 HydrophobicContact CD1-CB 4.29Å; L168-L836 HydrophobicContact CD1-CD2 4.15Å; L168-L836 HydrophobicContact CD2-CD1 4.21Å; L168-L836 HydrophobicContact CD2-CD2 4.38Å; L836-A838 PolarHBondContact O-N 3.02Å; L836-L849 PolarHBondContact N-O 2.63Å
837	E	97.4	Very high	96.4	Very high	4 Å²	4	38.5 Å²	38.5	2%	0.019	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-61.2	135.8	167.4	-64.9	81.3	-166.8	0	0	110.8	R164 M833 F834 G835 H848 L849 E888 R889	R164-E837 IonicContact CZ-OE1 2.81Å; R164-E837 IonicContact NH1-OE1 3.77Å; R164-E837 PolarHBondContact NH1-OE1 3.46Å; R164-E837 IonicContact NH2-OE1 2.96Å; M833-E837 HydrophobicContact CB-CG 4.43Å; M833-E837 HydrophobicContact CG-CG 4.18Å; M833-E837 HydrophobicContact SD-CG 4.46Å; F834-E837 PolarHBondContact N-OE1 2.71Å; F834-E837 PolarHBondContact N-OE2 2.92Å; G835-E837 WeakPolarHBondContact CA-OE2 3.42Å; G835-E837 PolarHBondContact N-OE2 2.92Å; G835-E837 PolarHBondContact O-N 3.08Å; G835-E837 VanDerWaalsContact O-OE2 3.09Å; E837-H848 CarbonylContact O-C 3.55Å; E837-H848 VanDerWaalsContact O-CA 3.23Å; E837-H848 WeakPolarHBondContact O-CA 3.28Å; E837-H848 WeakPolarHBondContact O-CB 3.21Å; E837-L849 HydrophobicContact CB-CD1 4.04Å; E837-L849 HydrophobicContact CB-CG 4.37Å; E837-L849 PolarHBondContact O-N 3.06Å; E837-E888 WeakPolarHBondContact CB-O 3.44Å; E837-R889 HydrophobicContact CG-CB 4.31Å
838	A	97.8	Very high	96.4	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	135.2	-173.8	0	0	0	0	0	111.8	V171 L836 F840 L887 E888	V171-A838 HydrophobicContact CG2-CB 3.42Å; V171-A838 VanDerWaalsContact CG2-CB 3.42Å; L836-A838 PolarHBondContact O-N 3.02Å; A838-F840 HydrophobicContact CB-CD2 4.29Å; A838-F840 HydrophobicContact CB-CE2 3.62Å; A838-F840 HydrophobicContact CB-CZ 4.36Å; A838-L887 WeakPolarHBondContact O-CA 3.34Å; A838-E888 HydrophobicContact CB-CB 4.3Å; A838-E888 PolarHBondContact N-O 3.01Å; A838-E888 PolarHBondContact O-N 3.08Å
839	I	98.6	Very high	96.5	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	122.7	175.5	-51.9	164.5	0	0	0	108.2	F825 V846 G847 H848 L849 I867 F885 L887	F825-I839 HydrophobicContact CD2-CD1 4.42Å; F825-I839 HydrophobicContact CE1-CG2 4.15Å; F825-I839 HydrophobicContact CE2-CD1 3.78Å; F825-I839 HydrophobicContact CE2-CG1 4.44Å; F825-I839 HydrophobicContact CE2-CG2 4.27Å; F825-I839 HydrophobicContact CZ-CD1 4.33Å; F825-I839 HydrophobicContact CZ-CG2 3.82Å; I839-V846 HydrophobicContact CB-CG2 4.19Å; I839-V846 HydrophobicContact CG2-CG2 3.76Å; I839-V846 WeakPolarHBondContact O-CG2 3.09Å; I839-V846 PolarHBondContact O-N 3.48Å; I839-G847 PolarHBondContact N-O 3.46Å; I839-G847 PolarHBondContact O-N 3.4Å; I839-H848 VanDerWaalsContact CD1-C 3.4Å; I839-H848 WeakPolarHBondContact CD1-O 3.43Å; I839-L849 HydrophobicContact CD1-CD2 4.12Å; I839-L849 HydrophobicContact CG1-CD2 4.12Å; I839-L849 HydrophobicContact CG1-CG 4.4Å; I839-I867 HydrophobicContact CB-CG2 4.49Å; I839-I867 HydrophobicContact CD1-CG2 3.94Å; I839-I867 HydrophobicContact CG2-CG2 3.93Å; I839-F885 HydrophobicContact CG2-CD1 4.01Å; I839-F885 HydrophobicContact CG2-CE1 4.5Å; I839-L887 HydrophobicContact CB-CD2 4.2Å; I839-L887 HydrophobicContact CG1-CD2 3.67Å; I839-L887 HydrophobicContact CG2-CD2 4.22Å
840	F	98.5	Very high	96.5	Very high	23 Å²	23	29.5 Å²	29.5	10%	0.101	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	145.7	173.1	-65.2	-104.5	0	0	0	110.7	K170 A838 V844 P845 F885 T886 E888	K170-F840 HydrophobicContact CD-CZ 4.33Å; A838-F840 HydrophobicContact CB-CD2 4.29Å; A838-F840 HydrophobicContact CB-CE2 3.62Å; A838-F840 HydrophobicContact CB-CZ 4.36Å; F840-V844 CarbonylContact C-O 3.52Å; F840-V844 VanDerWaalsContact CA-O 3.24Å; F840-V844 WeakPolarHBondContact CA-O 3.44Å; F840-P845 HydrophobicContact CD1-CB 4.48Å; F840-P845 HydrophobicContact CD1-CG 4.01Å; F840-P845 HydrophobicContact CE1-CB 4.35Å; F840-P845 HydrophobicContact CE1-CG 3.59Å; F840-P845 HydrophobicContact CZ-CG 4.25Å; F840-F885 WeakPolarHBondContact O-CA 3.47Å; F840-F885 WeakPolarHBondContact O-CD1 3.37Å; F840-T886 PolarHBondContact N-O 2.97Å; F840-T886 PolarHBondContact O-N 2.88Å; F840-T886 VanDerWaalsContact O-N 3.14Å; F840-E888 HydrophobicContact CD2-CB 4.29Å; F840-E888 HydrophobicContact CE2-CB 3.69Å
841	R	98.1	Very high	96.5	Very high	41 Å²	41	26.2 Å²	26.2	16%	0.155	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	121.4	167.1	-173.8	-174.8	176.8	-76.4	-1.5	108	G843 V844 V846 F879 T882 E884 F885	R841-G843 PolarHBondContact O-N 3.17Å; R841-V844 PolarHBondContact N-O 2.86Å; R841-V844 PolarHBondContact O-N 3.01Å; R841-V846 HydrophobicContact CB-CB 4.5Å; R841-V846 HydrophobicContact CB-CG1 3.65Å; R841-V846 HydrophobicContact CB-CG2 4.01Å; R841-F879 PolarHBondContact NE-O 2.94Å; R841-F879 PolarHBondContact NH2-O 3.43Å; R841-T882 PolarHBondContact NH2-OG1 2.93Å; R841-E884 CarbonylContact C-O 3.43Å; R841-E884 WeakPolarHBondContact CA-O 3.42Å; R841-F885 HydrophobicContact CB-CD1 4.14Å; R841-F885 HydrophobicContact CB-CE1 3.8Å; R841-F885 HydrophobicContact CB-CZ 4.24Å; R841-F885 HydrophobicContact CG-CD1 4.46Å; R841-F885 HydrophobicContact CG-CE1 3.95Å; R841-F885 HydrophobicContact CG-CE2 4.3Å; R841-F885 HydrophobicContact CG-CZ 3.86Å
842	N	97.3	Very high	96.5	Very high	93 Å²	93	25.4 Å²	25.4	50%	0.497	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	39.5	-178.7	-54.5	6.5	0	0	0	112.8	V844 E884	N842-V844 VanDerWaalsContact C-N 3.33Å; N842-V844 PolarHBondContact O-N 3.12Å; N842-E884 PolarHBondContact N-O 2.89Å; N842-E884 PolarHBondContact OD1-N 3.48Å
843	G	96	Very high	96.5	Very high	61 Å²	61	26.2 Å²	26.2	63%	0.629	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.2	-3.4	-178.5	0	0	0	0	0	116.3	R841	R841-G843 PolarHBondContact O-N 3.17Å
844	V	96.4	Very high	96.6	Very high	72 Å²	72	26.4 Å²	26.4	44%	0.436	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	133.2	178.8	-176.1	0	0	0	0	110.5	F840 R841 N842 V846 P870	F840-V844 CarbonylContact C-O 3.52Å; F840-V844 VanDerWaalsContact CA-O 3.24Å; F840-V844 WeakPolarHBondContact CA-O 3.44Å; R841-V844 PolarHBondContact N-O 2.86Å; R841-V844 PolarHBondContact O-N 3.01Å; N842-V844 VanDerWaalsContact C-N 3.33Å; N842-V844 PolarHBondContact O-N 3.12Å; V844-V846 PolarHBondContact O-N 3.36Å; V844-P870 HydrophobicContact CG1-CB 4.38Å; V844-P870 HydrophobicContact CG1-CG 3.87Å
845	P	96.9	Very high	96.8	Very high	48 Å²	48	24.7 Å²	24.7	31%	0.312	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	130.4	172.1	-19.9	29.4	0	0	0	111.5	F840	F840-P845 HydrophobicContact CD1-CB 4.48Å; F840-P845 HydrophobicContact CD1-CG 4.01Å; F840-P845 HydrophobicContact CE1-CB 4.35Å; F840-P845 HydrophobicContact CE1-CG 3.59Å; F840-P845 HydrophobicContact CZ-CG 4.25Å
846	V	97.9	Very high	97	Very high	11 Å²	11	24.8 Å²	24.8	7%	0.067	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	-7.9	177.7	-66.5	0	0	0	0	113.7	I839 R841 V844 I867 R868 P870 F885	I839-V846 HydrophobicContact CB-CG2 4.19Å; I839-V846 HydrophobicContact CG2-CG2 3.76Å; I839-V846 WeakPolarHBondContact O-CG2 3.09Å; I839-V846 PolarHBondContact O-N 3.48Å; R841-V846 HydrophobicContact CB-CB 4.5Å; R841-V846 HydrophobicContact CB-CG1 3.65Å; R841-V846 HydrophobicContact CB-CG2 4.01Å; V844-V846 PolarHBondContact O-N 3.36Å; V846-I867 HydrophobicContact CB-CB 4.22Å; V846-I867 HydrophobicContact CG2-CB 3.99Å; V846-I867 HydrophobicContact CG2-CG2 3.78Å; V846-I867 CarbonylContact O-C 3.54Å; V846-I867 VanDerWaalsContact O-CA 3.32Å; V846-I867 WeakPolarHBondContact O-CA 3.33Å; V846-R868 PolarHBondContact O-N 2.85Å; V846-P870 HydrophobicContact CG1-CG 3.93Å; V846-F885 HydrophobicContact CG2-CE1 4.31Å
847	G	97.3	Very high	97	Very high	11 Å²	11	26.3 Å²	26.3	11%	0.113	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	164.9	-160.8	178.4	0	0	0	0	0	112.2	I839	I839-G847 PolarHBondContact N-O 3.46Å; I839-G847 PolarHBondContact O-N 3.4Å
848	H	97.5	Very high	97	Very high	10 Å²	10	27.8 Å²	27.8	5%	0.046	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	160.3	172.9	56.6	-112.1	0	0	0	110.6	D117 V171 Y172 E837 I839 R850 G865	D117-H848 IonicContact OD2-CE1 3.68Å; D117-H848 IonicContact OD2-NE2 3.09Å; V171-H848 HydrophobicContact CG2-CB 4.49Å; Y172-H848 AromaticContact CE2-ND1 3.94Å; E837-H848 CarbonylContact O-C 3.55Å; E837-H848 VanDerWaalsContact O-CA 3.23Å; E837-H848 WeakPolarHBondContact O-CA 3.28Å; E837-H848 WeakPolarHBondContact O-CB 3.21Å; I839-H848 VanDerWaalsContact CD1-C 3.4Å; I839-H848 WeakPolarHBondContact CD1-O 3.43Å; H848-R850 PolarHBondContact CE1-NH2 2.96Å; H848-R850 PolarHBondContact NE2-NH2 3.23Å; H848-G865 WeakPolarHBondContact O-CA 3.39Å
849	L	97.7	Very high	96.9	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	131.9	171	-63.2	-178.2	0	0	0	110.2	F825 M833 L836 E837 I839 A852 L887	F825-L849 HydrophobicContact CD2-CD2 3.96Å; M833-L849 HydrophobicContact SD-CD1 4Å; L836-L849 PolarHBondContact N-O 2.63Å; E837-L849 HydrophobicContact CB-CD1 4.04Å; E837-L849 HydrophobicContact CB-CG 4.37Å; E837-L849 PolarHBondContact O-N 3.06Å; I839-L849 HydrophobicContact CD1-CD2 4.12Å; I839-L849 HydrophobicContact CG1-CD2 4.12Å; I839-L849 HydrophobicContact CG1-CG 4.4Å; L849-A852 HydrophobicContact CD1-CB 3.98Å; L849-L887 HydrophobicContact CD1-CD1 4.07Å; L849-L887 HydrophobicContact CD1-CD2 4.22Å; L849-L887 HydrophobicContact CD2-CD1 4.44Å; L849-L887 HydrophobicContact CD2-CD2 3.85Å; L849-L887 HydrophobicContact CG-CD2 4.05Å
850	R	95.3	Very high	96.8	Very high	38 Å²	38	34.8 Å²	34.8	14%	0.143	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	-44	170.8	-77	-72.8	157.8	-161.7	-6.5	111.3	D117 A779 H848 Y864 Y866	D117-R850 IonicContact OD1-NH1 2.98Å; D117-R850 PolarHBondContact OD1-NH1 2.78Å; D117-R850 IonicContact OD2-CZ 4Å; D117-R850 IonicContact OD2-NH1 3.76Å; D117-R850 PolarHBondContact OD2-NH1 2.91Å; D117-R850 IonicContact OD2-NH2 2.72Å; D117-R850 PolarHBondContact OD2-NH2 2.61Å; A779-R850 WeakPolarHBondContact O-CB 3.48Å; A779-R850 VanDerWaalsContact O-CD 3.24Å; A779-R850 WeakPolarHBondContact O-CD 3.49Å; H848-R850 PolarHBondContact CE1-NH2 2.96Å; H848-R850 PolarHBondContact NE2-NH2 3.23Å; R850-Y864 PolarHBondContact N-O 3.13Å; R850-Y866 HydrophobicContact CG-CD2 3.78Å; R850-Y866 HydrophobicContact CG-CE2 4.08Å
851	R	95.2	Very high	96.8	Very high	23 Å²	23	33.8 Å²	33.8	9%	0.087	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	143.1	179	-171.2	169.9	59.9	120.5	-4.8	109.3	D766 S769 I770 Y774 H776 A779 D780 G863 Y864	D766-R851 PolarHBondContact O-NH1 2.87Å; D766-R851 VanDerWaalsContact O-NH1 3.14Å; S769-R851 PolarHBondContact OG-NH1 2.89Å; I770-R851 HydrophobicContact CD1-CG 4.23Å; Y774-R851 PolarHBondContact O-NH2 2.78Å; H776-R851 PolarHBondContact CD2-NH1 2.85Å; H776-R851 PolarHBondContact CD2-NH2 2.8Å; H776-R851 PolarHBondContact NE2-NH1 2.84Å; A779-R851 HydrophobicContact CB-CB 4.35Å; D780-R851 WeakPolarHBondContact OD1-CB 3.38Å; D780-R851 IonicContact OD1-NE 2.93Å; D780-R851 PolarHBondContact OD1-NE 2.88Å; D780-R851 IonicContact OD2-CZ 2.74Å; D780-R851 VanDerWaalsContact OD2-CZ 3.24Å; D780-R851 IonicContact OD2-NE 3.69Å; D780-R851 PolarHBondContact OD2-NE 3.31Å; D780-R851 IonicContact OD2-NH2 3.39Å; D780-R851 PolarHBondContact OD2-NH2 2.93Å; R851-G863 CarbonylContact O-C 3.47Å; R851-G863 WeakPolarHBondContact O-CA 3.25Å; R851-Y864 PolarHBondContact N-O 3.24Å; R851-Y864 PolarHBondContact O-N 3.03Å
852	A	96.3	Very high	96.8	Very high	9 Å²	9	31.9 Å²	31.9	7%	0.074	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	152.4	172.4	0	0	0	0	0	110.5	M833 L849 L862	M833-A852 HydrophobicContact CB-CB 3.63Å; M833-A852 CarbonylContact O-C 3.59Å; L849-A852 HydrophobicContact CD1-CB 3.98Å; A852-L862 VanDerWaalsContact CA-O 3.27Å; A852-L862 WeakPolarHBondContact CA-O 3.49Å; A852-L862 WeakPolarHBondContact CB-O 3.43Å
853	D	95.8	Very high	96.8	Very high	21 Å²	21	27.5 Å²	27.5	11%	0.112	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	-177.8	175.5	-149.5	-27.2	0	0	0	109.5	S767 I770 L862	S767-D853 PolarHBondContact N-OD2 2.68Å; I770-D853 HydrophobicContact CG2-CB 3.82Å; D853-L862 PolarHBondContact N-O 2.79Å; D853-L862 PolarHBondContact O-N 2.82Å; D853-L862 VanDerWaalsContact O-O 3.07Å
854	Y	96.9	Very high	96.9	Very high	8 Å²	8	25 Å²	25	3%	0.031	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	126	166.5	-163.1	-101	0	0	0	110.9	F547 S767 K830 F856 D859 K860	F547-Y854 HydrophobicContact CZ-CD2 4.14Å; F547-Y854 HydrophobicContact CZ-CG 4.48Å; S767-Y854 PolarHBondContact OG-O 2.64Å; K830-Y854 HydrophobicContact CB-CE2 3.83Å; K830-Y854 HydrophobicContact CD-CE1 4.43Å; K830-Y854 HydrophobicContact CD-CE2 4Å; K830-Y854 HydrophobicContact CG-CD2 4.04Å; K830-Y854 HydrophobicContact CG-CE2 3.54Å; Y854-F856 AromaticContact CD1-CD1 3.61Å; Y854-F856 HydrophobicContact CD1-CD1 3.61Å; Y854-F856 AromaticContact CD1-CE1 3.88Å; Y854-F856 HydrophobicContact CD1-CE1 3.88Å; Y854-F856 HydrophobicContact CD1-CG 4.16Å; Y854-F856 HydrophobicContact CE1-CD1 4.13Å; Y854-F856 PolarHBondContact O-N 2.91Å; Y854-D859 WeakPolarHBondContact CE1-OD1 3.45Å; Y854-D859 VanDerWaalsContact OH-CG 3.25Å; Y854-D859 PolarHBondContact OH-OD1 2.94Å; Y854-K860 VanDerWaalsContact CE2-C 3.48Å
855	G	96.9	Very high	96.9	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	98.8	173.2	0	0	0	0	0	109.7	E771 F857 D859 K860	E771-G855 WeakPolarHBondContact OE1-CA 3.26Å; G855-F857 VanDerWaalsContact C-N 3.29Å; G855-F857 PolarHBondContact O-N 3.27Å; G855-D859 VanDerWaalsContact O-CA 3.29Å; G855-D859 WeakPolarHBondContact O-CA 3.22Å; G855-D859 PolarHBondContact O-N 2.8Å; G855-K860 PolarHBondContact N-O 2.83Å; G855-K860 PolarHBondContact O-N 2.71Å
856	F	97.3	Very high	97	Very high	8 Å²	8	19.7 Å²	19.7	4%	0.035	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-23.5	-173.3	-65.7	-74.2	0	0	0	115.1	H551 I554 K555 C558 S767 E771 Y854	H551-F856 AromaticContact CD2-CE1 3.74Å; H551-F856 AromaticContact CD2-CZ 3.9Å; H551-F856 AromaticContact CE1-CE1 3.67Å; H551-F856 AromaticContact CE1-CZ 3.26Å; H551-F856 WeakPolarHBondContact CE1-CZ 3.44Å; H551-F856 AromaticContact ND1-CZ 3.68Å; H551-F856 AromaticContact NE2-CE1 3.28Å; H551-F856 VanDerWaalsContact NE2-CE1 3.28Å; H551-F856 WeakPolarHBondContact NE2-CE1 3.46Å; H551-F856 AromaticContact NE2-CZ 3.42Å; H551-F856 WeakPolarHBondContact NE2-CZ 3.21Å; I554-F856 HydrophobicContact CB-CE2 4.27Å; I554-F856 HydrophobicContact CB-CZ 4.27Å; I554-F856 HydrophobicContact CG2-CE2 3.7Å; I554-F856 HydrophobicContact CG2-CZ 4.18Å; K555-F856 HydrophobicContact CB-CD1 3.51Å; K555-F856 HydrophobicContact CB-CE1 3.46Å; K555-F856 VanDerWaalsContact CB-CE1 3.46Å; K555-F856 HydrophobicContact CB-CG 4.12Å; K555-F856 HydrophobicContact CB-CZ 4.04Å; K555-F856 HydrophobicContact CD-CD1 3.86Å; K555-F856 HydrophobicContact CD-CE1 4.27Å; K555-F856 HydrophobicContact CG-CB 4.33Å; K555-F856 HydrophobicContact CG-CD1 3.49Å; K555-F856 VanDerWaalsContact CG-CD1 3.49Å; K555-F856 HydrophobicContact CG-CE1 3.96Å; K555-F856 HydrophobicContact CG-CG 4.06Å; C558-F856 HydrophobicContact CB-CB 4.24Å; C558-F856 HydrophobicContact CB-CD2 3.8Å; C558-F856 HydrophobicContact CB-CG 4.37Å; C558-F856 VanDerWaalsContact SG-CD2 3.57Å; S767-F856 VanDerWaalsContact OG-CD2 3.26Å; S767-F856 WeakPolarHBondContact OG-CD2 3.43Å; E771-F856 PolarHBondContact OE1-N 2.89Å; Y854-F856 AromaticContact CD1-CD1 3.61Å; Y854-F856 HydrophobicContact CD1-CD1 3.61Å; Y854-F856 AromaticContact CD1-CE1 3.88Å; Y854-F856 HydrophobicContact CD1-CE1 3.88Å; Y854-F856 HydrophobicContact CD1-CG 4.16Å; Y854-F856 HydrophobicContact CE1-CD1 4.13Å; Y854-F856 PolarHBondContact O-N 2.91Å
857	F	96.5	Very high	97	Very high	71 Å²	71	19.1 Å²	19.1	31%	0.311	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-36.5	-179.8	-176.2	-92.4	0	0	0	111.9	L559 R562 H563 E771 G855 D859 F904	L559-F857 HydrophobicContact CD2-CD2 4.44Å; R562-F857 HydrophobicContact CB-CD2 3.61Å; R562-F857 HydrophobicContact CB-CE2 4.1Å; R562-F857 HydrophobicContact CB-CG 4.32Å; R562-F857 HydrophobicContact CG-CB 3.93Å; R562-F857 HydrophobicContact CG-CD2 3.84Å; R562-F857 HydrophobicContact CG-CG 4.04Å; H563-F857 AromaticContact CE1-CE2 3.71Å; E771-F857 WeakPolarHBondContact OE1-CA 3.34Å; E771-F857 WeakPolarHBondContact OE1-CB 3.47Å; E771-F857 PolarHBondContact OE1-N 3.05Å; G855-F857 VanDerWaalsContact C-N 3.29Å; G855-F857 PolarHBondContact O-N 3.27Å; F857-D859 VanDerWaalsContact C-N 3.31Å; F857-F904 AromaticContact CD1-CD2 3.73Å; F857-F904 HydrophobicContact CD1-CD2 3.73Å; F857-F904 AromaticContact CD1-CE2 3.5Å; F857-F904 HydrophobicContact CD1-CE2 3.5Å; F857-F904 HydrophobicContact CE1-CD2 4.06Å; F857-F904 AromaticContact CE1-CE2 3.65Å; F857-F904 HydrophobicContact CE1-CE2 3.65Å; F857-F904 HydrophobicContact CG-CE2 4.35Å
858	I	96	Very high	97	Very high	35 Å²	35	25.3 Å²	25.3	18%	0.179	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-7.2	173	65.5	173.1	0	0	0	113.6	E771 K860 L862 P903 F904	E771-I858 HydrophobicContact CG-CD1 4.4Å; E771-I858 HydrophobicContact CG-CG1 4.3Å; E771-I858 PolarHBondContact OE1-N 3.25Å; I858-K860 HydrophobicContact CD1-CB 4.31Å; I858-K860 HydrophobicContact CG1-CB 4.23Å; I858-L862 HydrophobicContact CD1-CD1 4.24Å; I858-L862 HydrophobicContact CD1-CD2 4.44Å; I858-P903 HydrophobicContact CD1-CG 3.93Å; I858-F904 HydrophobicContact CG2-CB 3.95Å; I858-F904 HydrophobicContact CG2-CD2 4.16Å; I858-F904 HydrophobicContact CG2-CG 4.48Å
859	D	96.7	Very high	96.9	Very high	90 Å²	90	26.1 Å²	26.1	48%	0.481	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	54.3	-178.6	-153.2	38.5	0	0	0	113.3	Y854 G855 F857	Y854-D859 WeakPolarHBondContact CE1-OD1 3.45Å; Y854-D859 VanDerWaalsContact OH-CG 3.25Å; Y854-D859 PolarHBondContact OH-OD1 2.94Å; G855-D859 VanDerWaalsContact O-CA 3.29Å; G855-D859 WeakPolarHBondContact O-CA 3.22Å; G855-D859 PolarHBondContact O-N 2.8Å; F857-D859 VanDerWaalsContact C-N 3.31Å
860	K	97.4	Very high	96.6	Very high	58 Å²	58	29.8 Å²	29.8	25%	0.252	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	147	-177.9	-68	-177	-166.3	-56	0	112.4	T826 I827 D828 Y854 G855 I858	T826-K860 HydrophobicContact CG2-CD 4.39Å; I827-K860 WeakPolarHBondContact O-CB 3.24Å; D828-K860 IonicContact OD1-NZ 3.18Å; D828-K860 PolarHBondContact OD1-NZ 2.92Å; Y854-K860 VanDerWaalsContact CE2-C 3.48Å; G855-K860 PolarHBondContact N-O 2.83Å; G855-K860 PolarHBondContact O-N 2.71Å; I858-K860 HydrophobicContact CD1-CB 4.31Å; I858-K860 HydrophobicContact CG1-CB 4.23Å
861	T	97.8	Very high	96.5	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.006	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	130.9	158.3	-67.3	0	0	0	0	109	T826 I827 E829 I831 M833	T826-T861 WeakPolarHBondContact CA-O 3.34Å; I827-T861 HydrophobicContact CD1-CG2 4.44Å; I827-T861 PolarHBondContact N-O 3.02Å; I827-T861 PolarHBondContact O-N 2.78Å; E829-T861 PolarHBondContact O-OG1 3.46Å; I831-T861 VanDerWaalsContact C-OG1 3.32Å; I831-T861 WeakPolarHBondContact CA-OG1 3.18Å; I831-T861 PolarHBondContact N-OG1 3.34Å; I831-T861 WeakPolarHBondContact O-CB 3.44Å; I831-T861 WeakPolarHBondContact O-CG2 3.38Å; I831-T861 PolarHBondContact O-OG1 3.5Å; M833-T861 HydrophobicContact CB-CG2 4.29Å; M833-T861 HydrophobicContact CG-CG2 4.13Å; M833-T861 HydrophobicContact SD-CG2 4.02Å
862	L	96.8	Very high	96.4	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.01	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	151.4	176.8	72.6	162.1	0	0	0	112.6	I770 F825 T826 A852 D853 I858	I770-L862 HydrophobicContact CB-CD1 4.48Å; I770-L862 HydrophobicContact CD1-CG 4.29Å; I770-L862 HydrophobicContact CG1-CD1 4.08Å; I770-L862 HydrophobicContact CG1-CG 4.16Å; I770-L862 HydrophobicContact CG2-CD1 4.12Å; I770-L862 HydrophobicContact CG2-CD2 4.03Å; I770-L862 HydrophobicContact CG2-CG 4.04Å; I770-L862 WeakPolarHBondContact O-CD1 3.3Å; F825-L862 CarbonylContact O-C 3.59Å; F825-L862 WeakPolarHBondContact O-CA 3.23Å; F825-L862 WeakPolarHBondContact O-CB 3.23Å; T826-L862 HydrophobicContact CG2-CB 4.06Å; A852-L862 VanDerWaalsContact CA-O 3.27Å; A852-L862 WeakPolarHBondContact CA-O 3.49Å; A852-L862 WeakPolarHBondContact CB-O 3.43Å; D853-L862 PolarHBondContact N-O 2.79Å; D853-L862 PolarHBondContact O-N 2.82Å; D853-L862 VanDerWaalsContact O-O 3.07Å; I858-L862 HydrophobicContact CD1-CD1 4.24Å; I858-L862 HydrophobicContact CD1-CD2 4.44Å
863	G	97.4	Very high	96.4	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	153.2	176.7	0	0	0	0	0	112.3	C824 F825 R851	C824-G863 CarbonylContact C-O 3.52Å; F825-G863 PolarHBondContact N-O 2.83Å; F825-G863 PolarHBondContact O-N 2.82Å; R851-G863 CarbonylContact O-C 3.47Å; R851-G863 WeakPolarHBondContact O-CA 3.25Å
864	Y	98.2	Very high	96.5	Very high	8 Å²	8	38.9 Å²	38.9	3%	0.031	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	133.1	170.6	-80.1	-100.9	0	0	0	108.7	I770 G773 I822 V823 C824 R850 R851	I770-Y864 HydrophobicContact CD1-CD2 4.09Å; I770-Y864 HydrophobicContact CG1-CD2 3.56Å; I770-Y864 HydrophobicContact CG1-CE2 3.81Å; I770-Y864 WeakPolarHBondContact O-CE2 3.17Å; G773-Y864 WeakPolarHBondContact CA-OH 3.45Å; I822-Y864 HydrophobicContact CD1-CD1 4.25Å; I822-Y864 HydrophobicContact CG1-CD1 4.31Å; V823-Y864 WeakPolarHBondContact O-CA 3.12Å; C824-Y864 HydrophobicContact CB-CD1 4.17Å; C824-Y864 HydrophobicContact CB-CE1 3.56Å; C824-Y864 HydrophobicContact CB-CE2 4.04Å; C824-Y864 VanDerWaalsContact CB-CZ 3.48Å; R850-Y864 PolarHBondContact N-O 3.13Å; R851-Y864 PolarHBondContact N-O 3.24Å; R851-Y864 PolarHBondContact O-N 3.03Å
865	G	97.7	Very high	96.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	152.4	177.8	0	0	0	0	0	111.5	I822 V823 H848	I822-G865 WeakPolarHBondContact CA-O 3.32Å; V823-G865 PolarHBondContact N-O 2.81Å; V823-G865 PolarHBondContact O-N 3.27Å; V823-G865 VanDerWaalsContact O-N 3.14Å; H848-G865 WeakPolarHBondContact O-CA 3.39Å
866	Y	97.7	Very high	96.4	Very high	9 Å²	9	40.9 Å²	40.9	4%	0.035	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	128.4	175.7	-71	-96.1	0	0	0	109.7	D780 E789 A790 R820 R821 I822 R850	D780-Y866 VanDerWaalsContact O-CE2 3.24Å; D780-Y866 WeakPolarHBondContact O-CE2 3.25Å; D780-Y866 PolarHBondContact O-OH 3.2Å; E789-Y866 HydrophobicContact CB-CE1 3.99Å; A790-Y866 WeakPolarHBondContact CB-OH 3.33Å; R820-Y866 HydrophobicContact CG-CD1 3.85Å; R820-Y866 HydrophobicContact CG-CG 4.24Å; R820-Y866 VanDerWaalsContact NE-CD1 3.3Å; R821-Y866 WeakPolarHBondContact O-CA 3.45Å; I822-Y866 HydrophobicContact CB-CD1 3.89Å; I822-Y866 HydrophobicContact CB-CD2 4.37Å; I822-Y866 HydrophobicContact CB-CE1 3.72Å; I822-Y866 HydrophobicContact CB-CE2 4.21Å; I822-Y866 HydrophobicContact CB-CG 4.22Å; I822-Y866 HydrophobicContact CD1-CD2 4.38Å; I822-Y866 HydrophobicContact CD1-CE2 3.84Å; I822-Y866 HydrophobicContact CG1-CD1 4.5Å; I822-Y866 HydrophobicContact CG1-CD2 4.11Å; I822-Y866 HydrophobicContact CG1-CE1 4.42Å; I822-Y866 HydrophobicContact CG1-CE2 4Å; I822-Y866 HydrophobicContact CG1-CG 4.35Å; I822-Y866 VanDerWaalsContact N-CD1 3.35Å; R850-Y866 HydrophobicContact CG-CD2 3.78Å; R850-Y866 HydrophobicContact CG-CE2 4.08Å
867	I	98.1	Very high	96.3	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	149.7	170.2	71.1	175.6	0	0	0	110.6	R820 R821 V823 F825 I839 V846 V875 F879 I880 F885	R820-I867 WeakPolarHBondContact CA-O 3.31Å; R821-I867 PolarHBondContact N-O 3.48Å; R821-I867 PolarHBondContact O-N 2.94Å; V823-I867 HydrophobicContact CG2-CD1 4.01Å; V823-I867 HydrophobicContact CG2-CG1 4.08Å; F825-I867 HydrophobicContact CE2-CG2 4.3Å; F825-I867 HydrophobicContact CZ-CG2 3.85Å; I839-I867 HydrophobicContact CB-CG2 4.49Å; I839-I867 HydrophobicContact CD1-CG2 3.94Å; I839-I867 HydrophobicContact CG2-CG2 3.93Å; V846-I867 HydrophobicContact CB-CB 4.22Å; V846-I867 HydrophobicContact CG2-CB 3.99Å; V846-I867 HydrophobicContact CG2-CG2 3.78Å; V846-I867 CarbonylContact O-C 3.54Å; V846-I867 VanDerWaalsContact O-CA 3.32Å; V846-I867 WeakPolarHBondContact O-CA 3.33Å; I867-V875 HydrophobicContact CD1-CG1 4Å; I867-V875 HydrophobicContact CG1-CG1 3.75Å; I867-F879 HydrophobicContact CD1-CD1 4.36Å; I867-F879 HydrophobicContact CD1-CE1 4.04Å; I867-I880 HydrophobicContact CD1-CD1 4.48Å; I867-I880 HydrophobicContact CD1-CG1 3.87Å; I867-F885 HydrophobicContact CD1-CE1 3.95Å; I867-F885 HydrophobicContact CD1-CZ 3.97Å
868	R	97.5	Very high	96.3	Very high	141 Å²	141	43 Å²	43	53%	0.532	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	159.5	168.8	-65.2	176.8	-178.7	-103.3	3	109.1	R820 V846	R820-R868 HydrophobicContact CB-CG 4.11Å; R820-R868 HydrophobicContact CG-CG 4.08Å; V846-R868 PolarHBondContact O-N 2.85Å
869	N	96	Very high	96.3	Very high	26 Å²	26	42.6 Å²	42.6	14%	0.139	24%	0.244	C	C	.	.			trans	-84.1	122.4	163	-176.1	-9.9	0	0	0	108.1	D871 G872 G873 V875 F879	N869-D871 PolarHBondContact O-N 2.9Å; N869-D871 PolarHBondContact OD1-N 3.17Å; N869-D871 VanDerWaalsContact OD1-N 3.11Å; N869-G872 PolarHBondContact O-N 3.09Å; N869-G873 WeakPolarHBondContact CB-O 3.45Å; N869-V875 HydrophobicContact CB-CG2 4.39Å; N869-F879 HydrophobicContact CB-CE2 3.94Å; N869-F879 HydrophobicContact CB-CZ 3.91Å
870	P	92.1	Very high	96.3	Very high	77 Å²	77	38.5 Å²	38.5	50%	0.5	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-32.1	177.5	-27.6	36.8	0	0	0	113.6	V844 V846 G872	V844-P870 HydrophobicContact CG1-CB 4.38Å; V844-P870 HydrophobicContact CG1-CG 3.87Å; V846-P870 HydrophobicContact CG1-CG 3.93Å; P870-G872 PolarHBondContact O-N 2.9Å
871	D	92.9	Very high	96.2	Very high	150 Å²	150	42.5 Å²	42.5	80%	0.802	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.8	5.8	178.5	-52.1	-41.8	0	0	0	113.4	N869 G873	N869-D871 PolarHBondContact O-N 2.9Å; N869-D871 PolarHBondContact OD1-N 3.17Å; N869-D871 VanDerWaalsContact OD1-N 3.11Å; D871-G873 PolarHBondContact O-N 3.47Å
872	G	93.3	Very high	96.1	Very high	50 Å²	50	47.1 Å²	47.1	52%	0.515	27%	0.268	S	S	.	.	S	Bend	trans	73	7.7	-177.2	0	0	0	0	0	115.2	R819 N869 P870	R819-G872 WeakPolarHBondContact CD-O 3.36Å; R819-G872 PolarHBondContact NE-O 3.33Å; N869-G872 PolarHBondContact O-N 3.09Å; P870-G872 PolarHBondContact O-N 2.9Å
873	G	95.7	Very high	96	Very high	24 Å²	24	47.7 Å²	47.7	25%	0.247	27%	0.274	C	S	.	.			trans	-76.6	177.2	179	0	0	0	0	0	115.2	R819 N869 D871	R819-G873 WeakPolarHBondContact CD-O 3.39Å; N869-G873 WeakPolarHBondContact CB-O 3.45Å; D871-G873 PolarHBondContact O-N 3.47Å
874	V	97.1	Very high	96.1	Very high	58 Å²	58	54.3 Å²	54.3	35%	0.352	31%	0.305	S	S	.	.			trans	-70.6	134.7	176.2	177.3	0	0	0	0	111.1	L818 S876	L818-V874 CarbonylContact O-C 2.98Å; L818-V874 WeakPolarHBondContact O-CA 3.27Å; V874-S876 VanDerWaalsContact C-N 3.28Å; V874-S876 PolarHBondContact O-N 2.93Å
875	V	97.4	Very high	96.1	Very high	3 Å²	3	54.2 Å²	54.2	2%	0.018	31%	0.305	C	S	.	.			trans	-83	74.5	171.6	-176.1	0	0	0	0	109.1	L818 R819 R821 I867 N869 F879 I880	L818-V875 PolarHBondContact O-N 2.89Å; R819-V875 WeakPolarHBondContact O-CG2 3.41Å; R821-V875 HydrophobicContact CB-CB 4.2Å; R821-V875 HydrophobicContact CB-CG1 3.8Å; I867-V875 HydrophobicContact CD1-CG1 4Å; I867-V875 HydrophobicContact CG1-CG1 3.75Å; N869-V875 HydrophobicContact CB-CG2 4.39Å; V875-F879 HydrophobicContact CG1-CD1 4.04Å; V875-F879 HydrophobicContact CG1-CE1 4.42Å; V875-I880 HydrophobicContact CG1-CD1 4.03Å; V875-I880 HydrophobicContact CG1-CG1 4.23Å
876	S	95.6	Very high	96.1	Very high	47 Å²	47	56.3 Å²	56.3	33%	0.329	32%	0.318	S	S	.	.			trans	-72.8	168.4	-178.7	78.4	0	0	0	0	112.4	V874 D878 F879 I880	V874-S876 VanDerWaalsContact C-N 3.28Å; V874-S876 PolarHBondContact O-N 2.93Å; S876-D878 PolarHBondContact O-N 2.99Å; S876-D878 PolarHBondContact OG-N 2.86Å; S876-F879 PolarHBondContact O-N 2.77Å; S876-F879 PolarHBondContact OG-N 2.74Å; S876-I880 PolarHBondContact O-N 3.01Å
877	A	94.9	Very high	96.1	Very high	34 Å²	34	56 Å²	56	28%	0.281	32%	0.317	S	S	.	.	H	α-helix	trans	-59.8	-34.4	171.8	0	0	0	0	0	111.9	I880 K881 L900	A877-I880 PolarHBondContact O-N 2.68Å; A877-K881 VanDerWaalsContact O-CG 3.31Å; A877-K881 WeakPolarHBondContact O-CG 3.22Å; A877-K881 PolarHBondContact O-N 2.97Å; A877-L900 HydrophobicContact CB-CD1 3.81Å
878	D	95.9	Very high	96.1	Very high	90 Å²	90	56.7 Å²	56.7	48%	0.481	32%	0.32	S	S	.	.	H	α-helix	trans	-84.2	-29.9	-175.9	-55.5	-35.7	0	0	0	111.9	S876 I880 K881 T882	S876-D878 PolarHBondContact O-N 2.99Å; S876-D878 PolarHBondContact OG-N 2.86Å; D878-I880 PolarHBondContact O-N 3.07Å; D878-K881 PolarHBondContact O-N 2.98Å; D878-K881 IonicContact OD1-NZ 3.73Å; D878-K881 PolarHBondContact OD1-NZ 3.05Å; D878-T882 WeakPolarHBondContact O-CB 3.5Å; D878-T882 VanDerWaalsContact O-CG2 3.29Å; D878-T882 WeakPolarHBondContact O-CG2 3.21Å; D878-T882 PolarHBondContact O-N 2.85Å; D878-T882 PolarHBondContact O-OG1 3.41Å
879	F	96.4	Very high	96	Very high	26 Å²	26	51.4 Å²	51.4	11%	0.114	30%	0.3	C	S	.	.	H	α-helix	trans	-54.5	-39.5	166.2	177.2	-94.1	0	0	0	111.5	R841 I867 N869 V875 S876	R841-F879 PolarHBondContact NE-O 2.94Å; R841-F879 PolarHBondContact NH2-O 3.43Å; I867-F879 HydrophobicContact CD1-CD1 4.36Å; I867-F879 HydrophobicContact CD1-CE1 4.04Å; N869-F879 HydrophobicContact CB-CE2 3.94Å; N869-F879 HydrophobicContact CB-CZ 3.91Å; V875-F879 HydrophobicContact CG1-CD1 4.04Å; V875-F879 HydrophobicContact CG1-CE1 4.42Å; S876-F879 PolarHBondContact O-N 2.77Å; S876-F879 PolarHBondContact OG-N 2.74Å
880	I	96.6	Very high	95.8	Very high	5 Å²	5	51.3 Å²	51.3	3%	0.026	30%	0.299	C	S	.	.	H	α-helix	trans	-74.4	-48.4	176.3	-65	163	0	0	0	111.3	V823 I867 V875 S876 A877 D878 T882 G883 F885 A898 L900	V823-I880 HydrophobicContact CG1-CG2 4.24Å; V823-I880 HydrophobicContact CG2-CD1 3.58Å; V823-I880 HydrophobicContact CG2-CG1 4.2Å; I867-I880 HydrophobicContact CD1-CD1 4.48Å; I867-I880 HydrophobicContact CD1-CG1 3.87Å; V875-I880 HydrophobicContact CG1-CD1 4.03Å; V875-I880 HydrophobicContact CG1-CG1 4.23Å; S876-I880 PolarHBondContact O-N 3.01Å; A877-I880 PolarHBondContact O-N 2.68Å; D878-I880 PolarHBondContact O-N 3.07Å; I880-T882 VanDerWaalsContact C-N 3.29Å; I880-T882 PolarHBondContact O-N 3.41Å; I880-G883 PolarHBondContact O-N 3.43Å; I880-F885 WeakPolarHBondContact O-CE2 3.23Å; I880-A898 HydrophobicContact CG2-CB 3.85Å; I880-L900 HydrophobicContact CB-CD2 4.35Å; I880-L900 HydrophobicContact CD1-CD2 3.51Å; I880-L900 HydrophobicContact CG2-CD2 4.16Å
881	K	95.6	Very high	95.9	Very high	141 Å²	141	49.5 Å²	49.5	61%	0.613	30%	0.295	S	S	*	.	H	α-helix	trans	-65.8	-27.8	-177.8	-69.2	170.6	-160.2	156.7	0	114.5	A877 D878	A877-K881 VanDerWaalsContact O-CG 3.31Å; A877-K881 WeakPolarHBondContact O-CG 3.22Å; A877-K881 PolarHBondContact O-N 2.97Å; D878-K881 PolarHBondContact O-N 2.98Å; D878-K881 IonicContact OD1-NZ 3.73Å; D878-K881 PolarHBondContact OD1-NZ 3.05Å
882	T	95.2	Very high	96	Very high	98 Å²	98	46 Å²	46	60%	0.601	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-4.3	-176.1	58	0	0	0	0	113.9	R841 D878 I880	R841-T882 PolarHBondContact NH2-OG1 2.93Å; D878-T882 WeakPolarHBondContact O-CB 3.5Å; D878-T882 VanDerWaalsContact O-CG2 3.29Å; D878-T882 WeakPolarHBondContact O-CG2 3.21Å; D878-T882 PolarHBondContact O-N 2.85Å; D878-T882 PolarHBondContact O-OG1 3.41Å; I880-T882 VanDerWaalsContact C-N 3.29Å; I880-T882 PolarHBondContact O-N 3.41Å
883	G	95.5	Very high	96.2	Very high	14 Å²	14	46.6 Å²	46.6	14%	0.144	28%	0.278	C	S	.	.			trans	-88.6	139.1	178.3	0	0	0	0	0	112.1	I880 F885	I880-G883 PolarHBondContact O-N 3.43Å; G883-F885 VanDerWaalsContact O-CD2 3.29Å; G883-F885 WeakPolarHBondContact O-CD2 3.13Å
884	E	97.9	Very high	96.3	Very high	139 Å²	139	47 Å²	47	65%	0.65	27%	0.273	S	S	*	.			trans	-84.9	123.7	161.7	-62.2	-160.2	125.8	0	0	108.7	R841 N842	R841-E884 CarbonylContact C-O 3.43Å; R841-E884 WeakPolarHBondContact CA-O 3.42Å; N842-E884 PolarHBondContact N-O 2.89Å; N842-E884 PolarHBondContact OD1-N 3.48Å
885	F	98.6	Very high	96.3	Very high	7 Å²	7	52 Å²	52	3%	0.031	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	139.6	-176.4	-70.7	-90.8	0	0	0	112.3	F825 I839 F840 R841 V846 I867 I880 G883 A896 A898	F825-F885 HydrophobicContact CD1-CB 4.37Å; F825-F885 HydrophobicContact CD1-CG 4.48Å; F825-F885 HydrophobicContact CE1-CB 4.14Å; F825-F885 AromaticContact CE1-CD1 3.55Å; F825-F885 HydrophobicContact CE1-CD1 3.55Å; F825-F885 HydrophobicContact CE1-CD2 4.47Å; F825-F885 HydrophobicContact CE1-CE1 4.01Å; F825-F885 AromaticContact CE1-CG 3.79Å; F825-F885 HydrophobicContact CE1-CG 3.79Å; F825-F885 HydrophobicContact CZ-CD1 4.15Å; F825-F885 HydrophobicContact CZ-CE1 4.27Å; I839-F885 HydrophobicContact CG2-CD1 4.01Å; I839-F885 HydrophobicContact CG2-CE1 4.5Å; F840-F885 WeakPolarHBondContact O-CA 3.47Å; F840-F885 WeakPolarHBondContact O-CD1 3.37Å; R841-F885 HydrophobicContact CB-CD1 4.14Å; R841-F885 HydrophobicContact CB-CE1 3.8Å; R841-F885 HydrophobicContact CB-CZ 4.24Å; R841-F885 HydrophobicContact CG-CD1 4.46Å; R841-F885 HydrophobicContact CG-CE1 3.95Å; R841-F885 HydrophobicContact CG-CE2 4.3Å; R841-F885 HydrophobicContact CG-CZ 3.86Å; V846-F885 HydrophobicContact CG2-CE1 4.31Å; I867-F885 HydrophobicContact CD1-CE1 3.95Å; I867-F885 HydrophobicContact CD1-CZ 3.97Å; I880-F885 WeakPolarHBondContact O-CE2 3.23Å; G883-F885 VanDerWaalsContact O-CD2 3.29Å; G883-F885 WeakPolarHBondContact O-CD2 3.13Å; F885-A896 PolarHBondContact O-N 2.99Å; F885-A898 HydrophobicContact CD2-CB 3.84Å; F885-A898 HydrophobicContact CE2-CB 4Å; F885-A898 HydrophobicContact CG-CB 4.41Å
886	T	98.4	Very high	96.4	Very high	44 Å²	44	52.4 Å²	52.4	27%	0.27	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	145.8	168	58	0	0	0	0	110.4	F840 Y894	F840-T886 PolarHBondContact N-O 2.97Å; F840-T886 PolarHBondContact O-N 2.88Å; F840-T886 VanDerWaalsContact O-N 3.14Å; T886-Y894 CarbonylContact C-O 3.53Å; T886-Y894 WeakPolarHBondContact CA-O 3.49Å; T886-Y894 WeakPolarHBondContact CB-O 3.47Å
887	L	98.4	Very high	96.5	Very high	3 Å²	3	56.6 Å²	56.6	2%	0.016	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	126.3	173.2	-63.3	173.7	0	0	0	108.6	F825 I827 M833 A838 I839 L849 Y894 A896	F825-L887 HydrophobicContact CB-CD1 3.85Å; F825-L887 HydrophobicContact CG-CD2 4.38Å; I827-L887 HydrophobicContact CD1-CB 4.23Å; I827-L887 HydrophobicContact CD1-CD1 3.76Å; I827-L887 HydrophobicContact CD1-CG 4.49Å; I827-L887 HydrophobicContact CG1-CD1 4.23Å; M833-L887 HydrophobicContact CE-CB 3.89Å; M833-L887 HydrophobicContact CE-CD1 4.49Å; M833-L887 HydrophobicContact SD-CB 4.34Å; M833-L887 HydrophobicContact SD-CD1 4.05Å; A838-L887 WeakPolarHBondContact O-CA 3.34Å; I839-L887 HydrophobicContact CB-CD2 4.2Å; I839-L887 HydrophobicContact CG1-CD2 3.67Å; I839-L887 HydrophobicContact CG2-CD2 4.22Å; L849-L887 HydrophobicContact CD1-CD1 4.07Å; L849-L887 HydrophobicContact CD1-CD2 4.22Å; L849-L887 HydrophobicContact CD2-CD1 4.44Å; L849-L887 HydrophobicContact CD2-CD2 3.85Å; L849-L887 HydrophobicContact CG-CD2 4.05Å; L887-Y894 PolarHBondContact N-O 2.95Å; L887-Y894 PolarHBondContact O-N 3.41Å; L887-A896 HydrophobicContact CD1-CB 3.89Å; L887-A896 HydrophobicContact CG-CB 3.77Å
888	E	97.4	Very high	96.6	Very high	13 Å²	13	56.3 Å²	56.3	6%	0.061	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	117.5	178.5	-168.4	-171.3	111.5	0	0	111.2	S167 K170 E837 A838 F840 G891 V892	S167-E888 WeakPolarHBondContact CB-OE1 3.09Å; S167-E888 PolarHBondContact OG-OE1 2.71Å; S167-E888 VanDerWaalsContact OG-OE1 3.12Å; K170-E888 IonicContact NZ-OE1 2.88Å; K170-E888 PolarHBondContact NZ-OE1 2.87Å; K170-E888 IonicContact NZ-OE2 3.46Å; K170-E888 PolarHBondContact NZ-OE2 2.87Å; E837-E888 WeakPolarHBondContact CB-O 3.44Å; A838-E888 HydrophobicContact CB-CB 4.3Å; A838-E888 PolarHBondContact N-O 3.01Å; A838-E888 PolarHBondContact O-N 3.08Å; F840-E888 HydrophobicContact CD2-CB 4.29Å; F840-E888 HydrophobicContact CE2-CB 3.69Å; E888-G891 WeakPolarHBondContact OE1-CA 3.33Å; E888-V892 WeakPolarHBondContact CA-O 3.29Å
889	R	94.7	Very high	96.7	Very high	30 Å²	30	53.6 Å²	53.6	11%	0.113	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	113	169.8	172.4	-174.2	-178.2	-102.5	-0.3	108.5	F545 I831 P832 M833 E837 G891 V892 Y894	F545-R889 PolarHBondContact O-NH2 2.76Å; I831-R889 VanDerWaalsContact CG2-CD 3.47Å; P832-R889 WeakPolarHBondContact O-CD 3.33Å; P832-R889 PolarHBondContact O-NE 3.37Å; M833-R889 HydrophobicContact CE-CB 4.04Å; E837-R889 HydrophobicContact CG-CB 4.31Å; R889-G891 VanDerWaalsContact C-N 3.33Å; R889-G891 PolarHBondContact O-N 2.76Å; R889-V892 PolarHBondContact N-O 3.07Å; R889-V892 PolarHBondContact O-N 3.06Å; R889-Y894 HydrophobicContact CB-CD2 4.4Å; R889-Y894 HydrophobicContact CB-CE2 4Å
890	M	93.3	Very high	96.5	Very high	25 Å²	25	55.7 Å²	55.7	12%	0.123	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.2	42.7	173	-62	-174.5	-65.9	0	0	113.7	D160 K163 R164 S167 V892	D160-M890 HydrophobicContact CB-SD 3.56Å; D160-M890 VanDerWaalsContact CB-SD 3.56Å; D160-M890 VanDerWaalsContact O-SD 3.4Å; K163-M890 HydrophobicContact CB-CB 3.6Å; K163-M890 HydrophobicContact CB-CG 3.92Å; K163-M890 HydrophobicContact CD-CB 4.11Å; R164-M890 HydrophobicContact CG-CG 3.6Å; R164-M890 HydrophobicContact CG-SD 4.09Å; S167-M890 PolarHBondContact OG-N 3.27Å; M890-V892 VanDerWaalsContact C-N 3.3Å; M890-V892 PolarHBondContact O-N 2.84Å
891	G	92.3	Very high	96.3	Very high	39 Å²	39	62.5 Å²	62.5	40%	0.402	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.9	-3.1	-177.3	0	0	0	0	0	115.8	S167 E888 R889	S167-G891 PolarHBondContact OG-N 2.76Å; E888-G891 WeakPolarHBondContact OE1-CA 3.33Å; R889-G891 VanDerWaalsContact C-N 3.33Å; R889-G891 PolarHBondContact O-N 2.76Å
892	V	95.8	Very high	96.2	Very high	76 Å²	76	56.6 Å²	56.6	46%	0.461	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	125.1	175	-175	0	0	0	0	109.8	E888 R889 M890 Y894	E888-V892 WeakPolarHBondContact CA-O 3.29Å; R889-V892 PolarHBondContact N-O 3.07Å; R889-V892 PolarHBondContact O-N 3.06Å; M890-V892 VanDerWaalsContact C-N 3.3Å; M890-V892 PolarHBondContact O-N 2.84Å; V892-Y894 HydrophobicContact CB-CE2 3.8Å; V892-Y894 HydrophobicContact CG1-CD2 4.4Å; V892-Y894 HydrophobicContact CG1-CE1 4.39Å; V892-Y894 HydrophobicContact CG1-CE2 3.65Å; V892-Y894 WeakPolarHBondContact O-CD2 3.17Å; V892-Y894 WeakPolarHBondContact O-CE2 3.45Å
893	A	96.8	Very high	96.2	Very high	62 Å²	62	54.4 Å²	54.4	51%	0.512	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	126.8	179.2	0	0	0	0	0	111.8
894	Y	98.1	Very high	96.2	Very high	34 Å²	34	54.2 Å²	54.2	13%	0.133	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	135.6	177.9	-61.8	-93.9	0	0	0	109.9	I827 I831 M833 T886 L887 R889 V892 A896	I827-Y894 HydrophobicContact CD1-CG 4.45Å; I831-Y894 HydrophobicContact CB-CE1 4.44Å; I831-Y894 HydrophobicContact CD1-CD1 4.45Å; I831-Y894 HydrophobicContact CD1-CE1 3.74Å; I831-Y894 HydrophobicContact CG1-CD1 3.88Å; I831-Y894 HydrophobicContact CG1-CE1 3.62Å; I831-Y894 HydrophobicContact CG2-CE1 4.26Å; I831-Y894 HydrophobicContact CG2-CE2 4.32Å; M833-Y894 HydrophobicContact CE-CD2 4.11Å; T886-Y894 CarbonylContact C-O 3.53Å; T886-Y894 WeakPolarHBondContact CA-O 3.49Å; T886-Y894 WeakPolarHBondContact CB-O 3.47Å; L887-Y894 PolarHBondContact N-O 2.95Å; L887-Y894 PolarHBondContact O-N 3.41Å; R889-Y894 HydrophobicContact CB-CD2 4.4Å; R889-Y894 HydrophobicContact CB-CE2 4Å; V892-Y894 HydrophobicContact CB-CE2 3.8Å; V892-Y894 HydrophobicContact CG1-CD2 4.4Å; V892-Y894 HydrophobicContact CG1-CE1 4.39Å; V892-Y894 HydrophobicContact CG1-CE2 3.65Å; V892-Y894 WeakPolarHBondContact O-CD2 3.17Å; V892-Y894 WeakPolarHBondContact O-CE2 3.45Å; Y894-A896 PolarHBondContact O-N 2.64Å
895	K	98.1	Very high	96	Very high	163 Å²	163	48.7 Å²	48.7	71%	0.709	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.1	126.6	177.8	-173.6	171.1	-175	165.1	0	110.2
896	A	98.3	Very high	95.8	Very high	10 Å²	10	51.8 Å²	51.8	8%	0.083	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	141.6	-176.2	0	0	0	0	0	111.7	F825 T826 I827 F885 L887 Y894	F825-A896 HydrophobicContact CB-CB 4.37Å; F825-A896 HydrophobicContact CD1-CB 4.39Å; T826-A896 WeakPolarHBondContact O-CA 3.47Å; I827-A896 HydrophobicContact CG1-CB 4.17Å; F885-A896 PolarHBondContact O-N 2.99Å; L887-A896 HydrophobicContact CD1-CB 3.89Å; L887-A896 HydrophobicContact CG-CB 3.77Å; Y894-A896 PolarHBondContact O-N 2.64Å
897	K	98	Very high	95.5	Very high	136 Å²	136	55.7 Å²	55.7	59%	0.591	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.2	123	172.3	-177.3	175.3	177.2	177.9	0	109.7	F825 T826 H899	F825-K897 WeakPolarHBondContact CA-O 3.48Å; T826-K897 PolarHBondContact N-O 3.48Å; T826-K897 PolarHBondContact O-N 2.72Å; K897-H899 PolarHBondContact O-CD2 3.1Å; K897-H899 PolarHBondContact O-NE2 2.81Å
898	A	98.1	Very high	95.3	Very high	27 Å²	27	59 Å²	59	22%	0.223	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	137.8	176.7	0	0	0	0	0	111.9	V823 C824 F825 I880 F885	V823-A898 HydrophobicContact CG1-CB 3.92Å; C824-A898 CarbonylContact O-C 3.52Å; C824-A898 WeakPolarHBondContact O-CA 3.46Å; F825-A898 HydrophobicContact CD1-CB 4.08Å; F825-A898 HydrophobicContact CE1-CB 3.81Å; I880-A898 HydrophobicContact CG2-CB 3.85Å; F885-A898 HydrophobicContact CD2-CB 3.84Å; F885-A898 HydrophobicContact CE2-CB 4Å; F885-A898 HydrophobicContact CG-CB 4.41Å
899	H	96.7	Very high	95.2	Very high	34 Å²	34	62.1 Å²	62.1	16%	0.157	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	137.1	178.9	-45	-102.9	0	0	0	111.7	C824 T826 K897 K901	C824-H899 HydrophobicContact CB-CB 4.15Å; C824-H899 PolarHBondContact N-O 2.66Å; C824-H899 PolarHBondContact O-N 3.28Å; T826-H899 WeakPolarHBondContact CG2-NE2 3.44Å; T826-H899 PolarHBondContact OG1-NE2 2.9Å; K897-H899 PolarHBondContact O-CD2 3.1Å; K897-H899 PolarHBondContact O-NE2 2.81Å; H899-K901 WeakPolarHBondContact CB-O 3.45Å
900	L	92.2	Very high	95.3	Very high	69 Å²	69	62.6 Å²	62.6	36%	0.361	33%	0.332	S	S	.	.	S	Bend	trans	-85.8	-13.1	177.4	-65.8	174	0	0	0	113.8	A877 I880	A877-L900 HydrophobicContact CB-CD1 3.81Å; I880-L900 HydrophobicContact CB-CD2 4.35Å; I880-L900 HydrophobicContact CD1-CD2 3.51Å; I880-L900 HydrophobicContact CG2-CD2 4.16Å
901	K	92.1	Very high	95.4	Very high	148 Å²	148	61.6 Å²	61.6	64%	0.643	33%	0.327	S	S	*	.	S	Bend	trans	-131.8	162.7	172.1	-68.6	-174.1	175.6	-173.5	0	107.3	H899	H899-K901 WeakPolarHBondContact CB-O 3.45Å
902	S	94.1	Very high	95.5	Very high	17 Å²	17	64.4 Å²	64.4	12%	0.119	33%	0.328	C	S	.	.			trans	-58.1	143.8	168.2	157.8	0	0	0	0	110.4	E771 K772 F904	E771-S902 WeakPolarHBondContact O-CB 3.29Å; E771-S902 PolarHBondContact O-OG 3.18Å; K772-S902 WeakPolarHBondContact O-CB 3.2Å; S902-F904 PolarHBondContact OG-N 3.39Å; S902-F904 PolarHBondContact OG-O 2.8Å; S902-F904 VanDerWaalsContact OG-O 3.12Å
903	P	94.6	Very high	95.4	Very high	52 Å²	52	61.9 Å²	61.9	34%	0.338	32%	0.317	S	S	.	.	S	Bend	trans	-73.6	-11.5	170.5	32.4	-36.3	0	0	0	113.6	T826 I858	T826-P903 HydrophobicContact CG2-CG 4.11Å; I858-P903 HydrophobicContact CD1-CG 3.93Å
904	F	96	Very high	95.2	Very high	10 Å²	10	62.4 Å²	62.4	4%	0.044	31%	0.31	C	S	.	.	S	Bend	trans	-105.2	125.3	-179.6	172.7	-100.2	0	0	0	111.9	R562 E771 K772 F857 I858 S902	R562-F904 VanDerWaalsContact CZ-CZ 3.43Å; E771-F904 HydrophobicContact CB-CB 4.39Å; E771-F904 HydrophobicContact CB-CD1 4.45Å; E771-F904 HydrophobicContact CB-CG 4.45Å; K772-F904 HydrophobicContact CB-CD1 4.39Å; K772-F904 HydrophobicContact CD-CD1 3.84Å; K772-F904 HydrophobicContact CD-CE1 4Å; F857-F904 AromaticContact CD1-CD2 3.73Å; F857-F904 HydrophobicContact CD1-CD2 3.73Å; F857-F904 AromaticContact CD1-CE2 3.5Å; F857-F904 HydrophobicContact CD1-CE2 3.5Å; F857-F904 HydrophobicContact CE1-CD2 4.06Å; F857-F904 AromaticContact CE1-CE2 3.65Å; F857-F904 HydrophobicContact CE1-CE2 3.65Å; F857-F904 HydrophobicContact CG-CE2 4.35Å; I858-F904 HydrophobicContact CG2-CB 3.95Å; I858-F904 HydrophobicContact CG2-CD2 4.16Å; I858-F904 HydrophobicContact CG2-CG 4.48Å; S902-F904 PolarHBondContact OG-N 3.39Å; S902-F904 PolarHBondContact OG-O 2.8Å; S902-F904 VanDerWaalsContact OG-O 3.12Å
905	D	95.1	Very high	94.9	Very high	24 Å²	24	64.7 Å²	64.7	13%	0.128	32%	0.319	C	S	.	.			trans	40.5	60.3	-178.4	179.3	31.5	0	0	0	113.2	K772 E907 N908 K909 R910	K772-D905 PolarHBondContact NZ-O 2.65Å; K772-D905 IonicContact NZ-OD2 2.63Å; K772-D905 PolarHBondContact NZ-OD2 3.32Å; D905-E907 PolarHBondContact O-N 2.95Å; D905-N908 PolarHBondContact O-N 2.86Å; D905-N908 VanDerWaalsContact O-N 3.16Å; D905-N908 PolarHBondContact OD1-N 3.04Å; D905-N908 VanDerWaalsContact OD2-CA 3.32Å; D905-N908 WeakPolarHBondContact OD2-CA 3.23Å; D905-K909 PolarHBondContact OD1-N 2.92Å; D905-K909 PolarHBondContact OD2-N 3.39Å; D905-R910 HydrophobicContact CB-CG 4.46Å; D905-R910 PolarHBondContact OD2-N 2.98Å; D905-R910 VanDerWaalsContact OD2-N 3.15Å
906	P	93.2	Very high	93.7	Very high	72 Å²	72	68 Å²	68	47%	0.468	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-5.4	-174.3	27.8	-36.4	0	0	0	114.4
907	E	93.3	Very high	93.4	Very high	126 Å²	126	70.9 Å²	70.9	59%	0.589	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.3	-4.5	-179.6	-60.9	-173	154.1	0	0	113.4	D905 K909	D905-E907 PolarHBondContact O-N 2.95Å; E907-K909 HydrophobicContact CB-CD 4.39Å; E907-K909 HydrophobicContact CB-CG 4.22Å; E907-K909 WeakPolarHBondContact OE2-CE 3.47Å; E907-K909 IonicContact OE2-NZ 3.35Å; E907-K909 PolarHBondContact OE2-NZ 3.18Å
908	N	93.7	Very high	93.2	Very high	71 Å²	71	67.5 Å²	67.5	38%	0.38	34%	0.337	S	S	.	.			trans	55.4	47	-174.6	-63.1	-32.6	0	0	0	112.6	K772 D905 V911 K912	K772-N908 WeakPolarHBondContact CE-OD1 3.41Å; K772-N908 PolarHBondContact NZ-OD1 2.97Å; D905-N908 PolarHBondContact O-N 2.86Å; D905-N908 VanDerWaalsContact O-N 3.16Å; D905-N908 PolarHBondContact OD1-N 3.04Å; D905-N908 VanDerWaalsContact OD2-CA 3.32Å; D905-N908 WeakPolarHBondContact OD2-CA 3.23Å; N908-V911 HydrophobicContact CB-CG2 4.01Å; N908-K912 WeakPolarHBondContact O-CD 3.46Å; N908-K912 WeakPolarHBondContact O-CE 3.35Å
909	K	95.6	Very high	92.9	Very high	80 Å²	80	69.7 Å²	69.7	35%	0.348	34%	0.344	S	S	.	.			trans	-79.5	-44.8	175.4	-83	173.1	165.9	163.1	0	111.7	D905 E907 V911 K912 G913 I914	D905-K909 PolarHBondContact OD1-N 2.92Å; D905-K909 PolarHBondContact OD2-N 3.39Å; E907-K909 HydrophobicContact CB-CD 4.39Å; E907-K909 HydrophobicContact CB-CG 4.22Å; E907-K909 WeakPolarHBondContact OE2-CE 3.47Å; E907-K909 IonicContact OE2-NZ 3.35Å; E907-K909 PolarHBondContact OE2-NZ 3.18Å; K909-V911 PolarHBondContact O-N 2.83Å; K909-K912 WeakPolarHBondContact O-CA 3.46Å; K909-K912 WeakPolarHBondContact O-CB 2.94Å; K909-K912 PolarHBondContact O-N 3.39Å; K909-G913 PolarHBondContact O-N 3.02Å; K909-I914 CarbonylContact C-O 3.52Å; K909-I914 HydrophobicContact CB-CB 4Å; K909-I914 HydrophobicContact CB-CG2 4.2Å; K909-I914 HydrophobicContact CD-CG2 4.3Å; K909-I914 HydrophobicContact CG-CB 4.34Å; K909-I914 HydrophobicContact CG-CG2 4.17Å; K909-I914 PolarHBondContact O-N 3.21Å
910	R	96.5	Very high	92.7	Very high	40 Å²	40	71.8 Å²	71.8	15%	0.151	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-61.2	-43.2	-174.1	-74.4	-172.5	153.2	-129.8	-5.7	113	R562 G728 E729 L730 D905 K912 G913 I914 Y915	R562-R910 PolarHBondContact O-NH1 2.89Å; G728-R910 WeakPolarHBondContact O-CB 3.32Å; E729-R910 VanDerWaalsContact CD-NH1 3.26Å; E729-R910 IonicContact OE1-CZ 3.33Å; E729-R910 IonicContact OE1-NH1 2.89Å; E729-R910 PolarHBondContact OE1-NH1 3.43Å; E729-R910 IonicContact OE2-CZ 2.8Å; E729-R910 IonicContact OE2-NH1 2.8Å; E729-R910 PolarHBondContact OE2-NH1 3.06Å; E729-R910 VanDerWaalsContact OE2-NH1 3.09Å; L730-R910 PolarHBondContact N-O 2.8Å; D905-R910 HydrophobicContact CB-CG 4.46Å; D905-R910 PolarHBondContact OD2-N 2.98Å; D905-R910 VanDerWaalsContact OD2-N 3.15Å; R910-K912 PolarHBondContact O-N 3.12Å; R910-K912 VanDerWaalsContact O-N 3.14Å; R910-G913 WeakPolarHBondContact O-CA 3.48Å; R910-G913 PolarHBondContact O-N 2.79Å; R910-I914 WeakPolarHBondContact CA-O 3.5Å; R910-I914 PolarHBondContact N-O 2.67Å; R910-Y915 HydrophobicContact CB-CE1 4Å; R910-Y915 HydrophobicContact CG-CD1 3.81Å; R910-Y915 HydrophobicContact CG-CE1 3.68Å
911	V	95.7	Very high	92.7	Very high	3 Å²	3	72 Å²	72	2%	0.018	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-60.7	-23.6	175.4	-58.9	0	0	0	0	114.1	F706 G728 E729 N908 K909 G913	F706-V911 HydrophobicContact CD2-CB 4.29Å; F706-V911 HydrophobicContact CE2-CB 3.87Å; F706-V911 HydrophobicContact CE2-CG2 4.18Å; F706-V911 HydrophobicContact CZ-CB 4.41Å; F706-V911 HydrophobicContact CZ-CG2 4.33Å; G728-V911 VanDerWaalsContact C-CG1 3.46Å; G728-V911 WeakPolarHBondContact O-CG1 3.33Å; E729-V911 WeakPolarHBondContact O-CA 3.33Å; N908-V911 HydrophobicContact CB-CG2 4.01Å; K909-V911 PolarHBondContact O-N 2.83Å; V911-G913 VanDerWaalsContact C-N 3.33Å
912	K	93.5	Very high	92.8	Very high	99 Å²	99	66.9 Å²	66.9	43%	0.43	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-87.1	-5.1	174.1	-60.9	173.6	-173.5	166.3	0	112.6	N701 R723 N908 K909 R910 I914	N701-K912 PolarHBondContact ND2-O 3.32Å; N701-K912 PolarHBondContact OD1-O 3.1Å; N701-K912 VanDerWaalsContact OD1-O 3.13Å; R723-K912 VanDerWaalsContact NH2-C 3.33Å; R723-K912 PolarHBondContact NH2-O 2.9Å; N908-K912 WeakPolarHBondContact O-CD 3.46Å; N908-K912 WeakPolarHBondContact O-CE 3.35Å; K909-K912 WeakPolarHBondContact O-CA 3.46Å; K909-K912 WeakPolarHBondContact O-CB 2.94Å; K909-K912 PolarHBondContact O-N 3.39Å; R910-K912 PolarHBondContact O-N 3.12Å; R910-K912 VanDerWaalsContact O-N 3.14Å; K912-I914 HydrophobicContact CB-CD1 4.24Å; K912-I914 HydrophobicContact CB-CG1 4.36Å
913	G	93.1	Very high	92.7	Very high	22 Å²	22	70.5 Å²	70.5	23%	0.227	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.8	22.4	-174.3	0	0	0	0	0	113.8	K909 R910 V911	K909-G913 PolarHBondContact O-N 3.02Å; R910-G913 WeakPolarHBondContact O-CA 3.48Å; R910-G913 PolarHBondContact O-N 2.79Å; V911-G913 VanDerWaalsContact C-N 3.33Å
914	I	93.8	Very high	92.5	Very high	73 Å²	73	71.9 Å²	71.9	37%	0.374	35%	0.351	S	S	.	.			trans	-102.9	119.7	176.4	-57	168.4	0	0	0	107.4	K909 R910 K912	K909-I914 CarbonylContact C-O 3.52Å; K909-I914 HydrophobicContact CB-CB 4Å; K909-I914 HydrophobicContact CB-CG2 4.2Å; K909-I914 HydrophobicContact CD-CG2 4.3Å; K909-I914 HydrophobicContact CG-CB 4.34Å; K909-I914 HydrophobicContact CG-CG2 4.17Å; K909-I914 PolarHBondContact O-N 3.21Å; R910-I914 WeakPolarHBondContact CA-O 3.5Å; R910-I914 PolarHBondContact N-O 2.67Å; K912-I914 HydrophobicContact CB-CD1 4.24Å; K912-I914 HydrophobicContact CB-CG1 4.36Å
915	Y	90.4	Very high	92.2	Very high	82 Å²	82	77.1 Å²	77.1	32%	0.322	38%	0.377	S	S	.	.			trans	-121.3	2.3	-174.9	-67.9	-87.3	0	0	0	113.5	P685 E729 L730 R910	P685-Y915 WeakPolarHBondContact CA-OH 3.49Å; P685-Y915 HydrophobicContact CB-CE1 3.94Å; P685-Y915 HydrophobicContact CB-CE2 3.93Å; E729-Y915 WeakPolarHBondContact OE2-CE1 3.24Å; E729-Y915 PolarHBondContact OE2-OH 3.17Å; L730-Y915 HydrophobicContact CB-CE2 4.45Å; L730-Y915 VanDerWaalsContact CB-OH 3.26Å; L730-Y915 WeakPolarHBondContact CB-OH 3.33Å; L730-Y915 PolarHBondContact N-OH 2.66Å; R910-Y915 HydrophobicContact CB-CE1 4Å; R910-Y915 HydrophobicContact CG-CD1 3.81Å; R910-Y915 HydrophobicContact CG-CE1 3.68Å
916	E	73.1	Confident	92	Very high	233 Å²	233	81.9 Å²	81.9	100%	1.089	40%	0.4	S	S	*	.			trans	-83.5	0	175.2	-61.6	176.6	-179.6	0	0	112.6

Retrieved 916 of 916 residues in 183.8 ms (Link to these results)

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