A0A087Y3F8_POEFO Loading...

Ubiquitin specific peptidase like 1

AlphaFold DB , UniProt , Accession A0A087Y3F8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,021 aa.

						>A0A087Y3F8_POEFO|A0A087Y3F8
MSRAAVISSERQRAAVEPRSNSCLPMSGESIGLEALASLQAGYLGKVQERAASLEDCPWCNSKGLTFALRSYRINLQESITLCTNPQCLFPLVTRPLEDVLASLAPVDPTVGNKRKNALAVEDVIESPLKRQRLSEHGDLRPQSVSYVPVSSLENCSLNSVINGHKGNPNTGSEIGNGYHKESPDFKTADWDDGEVQDRDDPAPPACSSSVGSSSDVLLACNGAEPPSPSPHLVYPDAAKQNNVPPLNTCSRSTSSPAIYPDYIKTSSPLCNEPTTKESLEADVSPCRDVNGFRSESRDSLDKFVSVPKQLLWRNSNNLCWLDSLLAVLVNCKSLRKLRPERQPQRSSVWQLLRKHEDICAAVQEHQQTDKDGVPRVPSHVLQNAHVDLQSLRMSVFKLLQPKLQCKLGQRETPVFAMPLLLKLDSWVERLFQATFLWEFKCSACKVVTKERVEKTLPTFTNIVSDWTPLNAAHLAPCNACSKKNERRTMSLESVPPVFALHFVEGLPHNNVRNYAFSFQGKRYSVTAIIQYSQRLNHFITWMYNEDGSWLEYDDLKNACETHQHLQIPTQEIHVVFWEEEEETQPSFCSLSSVLLEPLPAEIEAVPSLKDLSTEEVSTQQAEDPSSPMRTENVVSSLPDSSVPAAGGNLCHNTDAQSAPSSSSSESESSNNLVSDPTFVPNAKKRQSRPPNLRKTVGRRKGKKAASSKDPPPEPSELPEPSEAPEPLELPESVCPVQSNTAAVTEQTSAVSSINLSPPLLTQKDRWSYILSRHPVNKAHKNISHPPPTQNGVTSEVKPSHPDPVKKPPIPARVPKPPLSTEERTGLPPKAAEMYGGYGAKKPNPVIPPPTSPAIPSDHHAPVTWTSGTSPLLTEISSFKKTRSSKISSGLSDTETLRYKLLKKLKAKKKKLAKLNQLLGTGGGAHFRPDSTNLNSPSTVSSSTYDGYASSDLLSPAMTASSLSPDSTGFLEMLVSGQDGANQLDCVVSGAGAVTPTNCQTTQHEGHNFLEEFEFFSHFLS
					

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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	29.3	Very low	26.3	Very low	239 Å²	239	157.5 Å²	157.5	100%	1.177	85%	0.852	S	S	*	*				0	146.6	0	-69.9	164	155.8	0	0	108.6
2	S	27.1	Very low	26.4	Very low	103 Å²	103	159.3 Å²	159.3	72%	0.72	85%	0.851	S	S	*	*			cis	-169.6	123.3	-21.8	-86.6	0	0	0	0	109.6
3	R	26.1	Very low	26.4	Very low	255 Å²	255	166.5 Å²	166.5	96%	0.962	86%	0.859	S	S	*	*			trans	62.5	160.6	162.3	-74.2	-179.8	164.7	171.8	-6.3	116.7
4	A	26	Very low	26.2	Very low	93 Å²	93	161.3 Å²	161.3	77%	0.769	85%	0.853	S	S	*	*			cis	-155.2	166.3	-23.7	0	0	0	0	0	108.6
5	A	23.8	Very low	26	Very low	87 Å²	87	157 Å²	157	72%	0.719	85%	0.849	S	S	*	*			trans	-108.1	171.1	174.9	0	0	0	0	0	111.6
6	V	25.4	Very low	26	Very low	128 Å²	128	155.9 Å²	155.9	78%	0.776	85%	0.849	S	S	*	*			trans	69.7	127.1	161.9	178.2	0	0	0	0	117.2
7	I	25	Very low	26.3	Very low	170 Å²	170	154.9 Å²	154.9	87%	0.872	84%	0.837	S	S	*	*				-155.4	143.2	122	-98.3	153.9	0	0	0	108
8	S	25.3	Very low	26.4	Very low	104 Å²	104	153.2 Å²	153.2	73%	0.727	84%	0.835	S	S	*	*			trans	-106	159.1	-178	50.5	0	0	0	0	111.9
9	S	26.6	Very low	26.4	Very low	124 Å²	124	155.5 Å²	155.5	87%	0.867	83%	0.831	S	S	*	*			trans	-162.1	140.7	151.3	-130.6	0	0	0	0	112.2
10	E	28.5	Very low	26.3	Very low	183 Å²	183	153.4 Å²	153.4	86%	0.855	83%	0.828	S	S	*	*			trans	-86.7	146.8	166.5	-58.8	159.7	91.9	0	0	109.9
11	R	26.5	Very low	26.2	Very low	246 Å²	246	153 Å²	153	93%	0.928	83%	0.826	S	S	*	*			trans	-164.9	144	130.5	-118.2	171.4	-179.9	164	2.7	114.5
12	Q	27.2	Very low	26	Very low	180 Å²	180	147 Å²	147	84%	0.841	81%	0.808	S	S	*	*			trans	-73.5	147	165.9	-53.2	135.6	-41.4	0	0	110.3
13	R	26.7	Very low	25.8	Very low	253 Å²	253	147.1 Å²	147.1	96%	0.955	81%	0.807	S	S	*	*			trans	-157.2	152.4	133.2	-113.5	171.3	-165.5	172.3	4.7	110.8
14	A	23.2	Very low	25.9	Very low	93 Å²	93	140.9 Å²	140.9	77%	0.769	79%	0.792	S	S	*	*			trans	-114.3	167.6	-171.5	0	0	0	0	0	112.2
15	A	23.9	Very low	25.9	Very low	97 Å²	97	142.6 Å²	142.6	80%	0.802	80%	0.796	S	S	*	*			trans	61.1	110.8	154.9	0	0	0	0	0	119.4
16	V	25.5	Very low	26	Very low	140 Å²	140	146 Å²	146	85%	0.848	80%	0.799	S	S	*	*			trans	-136.7	109	130.2	179.5	0	0	0	0	108.4
17	E	30.7	Very low	26.1	Very low	138 Å²	138	145 Å²	145	65%	0.645	80%	0.798	S	S	*	*			trans	-81.5	152.7	154	-92.7	-159.2	136.8	0	0	108.9	R19	E17-R19 WeakPolarHBondContact OE2-CG 3.21Å; E17-R19 IonicContact OE2-CZ 2.79Å; E17-R19 IonicContact OE2-NE 2.91Å; E17-R19 PolarHBondContact OE2-NE 2.91Å; E17-R19 IonicContact OE2-NH2 3.73Å
18	P	29.3	Very low	26.2	Very low	124 Å²	124	140.8 Å²	140.8	81%	0.805	80%	0.795	S	S	*	*			trans	-118.3	112.7	138.9	2.5	18.4	0	0	0	110.8
19	R	26.4	Very low	26.3	Very low	198 Å²	198	144.9 Å²	144.9	75%	0.747	80%	0.803	S	S	*	*			trans	-77.2	147	168.4	-59.4	174.8	176	-172	-9.5	110.6	E17	E17-R19 WeakPolarHBondContact OE2-CG 3.21Å; E17-R19 IonicContact OE2-CZ 2.79Å; E17-R19 IonicContact OE2-NE 2.91Å; E17-R19 PolarHBondContact OE2-NE 2.91Å; E17-R19 IonicContact OE2-NH2 3.73Å
20	S	24.4	Very low	26.4	Very low	112 Å²	112	144.4 Å²	144.4	78%	0.783	80%	0.8	S	S	*	*				177.1	104.4	119.3	36.4	0	0	0	0	115.1
21	N	23.3	Very low	26.3	Very low	146 Å²	146	144.1 Å²	144.1	78%	0.781	80%	0.803	S	S	*	*				51.3	141.5	129.8	-59.4	1.7	0	0	0	123.9
22	S	24.4	Very low	26.4	Very low	113 Å²	113	135.5 Å²	135.5	79%	0.79	79%	0.79	S	S	*	*			trans	82.3	140.6	151.3	79.1	0	0	0	0	118
23	C	24.4	Very low	26.4	Very low	106 Å²	106	134.8 Å²	134.8	72%	0.716	79%	0.791	S	S	*	*			cis	-156.9	140	-1	-130.6	0	0	0	0	114.1
24	L	26.5	Very low	26.5	Very low	123 Å²	123	131 Å²	131	64%	0.644	78%	0.784	S	S	*	*			trans	66.5	157.1	157	-59	171.5	0	0	0	116.8	M26	L24-M26 HydrophobicContact CD1-CE 4.19Å; L24-M26 HydrophobicContact CD1-CG 4.06Å; L24-M26 HydrophobicContact CD2-CG 4.18Å
25	P	27.6	Very low	26.8	Very low	129 Å²	129	131 Å²	131	84%	0.838	78%	0.784	S	S	*	*	P	Polyproline II helix		-96	166.3	60.5	33.1	-38.3	0	0	0	115.9
26	M	24.6	Very low	27.4	Very low	159 Å²	159	135 Å²	135	78%	0.783	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-84.7	158.7	-179.6	-82.4	-168	172.1	0	0	114.3	L24	L24-M26 HydrophobicContact CD1-CE 4.19Å; L24-M26 HydrophobicContact CD1-CG 4.06Å; L24-M26 HydrophobicContact CD2-CG 4.18Å
27	S	29	Very low	27.6	Very low	108 Å²	108	132 Å²	132	76%	0.755	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-65.4	156.4	165.1	44.2	0	0	0	0	113.7
28	G	25.3	Very low	27.6	Very low	80 Å²	80	130.4 Å²	130.4	83%	0.825	79%	0.785	S	S	*	*			trans	-124.9	127.2	151.5	0	0	0	0	0	107.8
29	E	28.1	Very low	27.7	Very low	190 Å²	190	132.4 Å²	132.4	89%	0.888	79%	0.788	S	S	*	*			trans	-81	165	-171.3	-75.1	178.9	104.5	0	0	114.1
30	S	28.1	Very low	28.3	Very low	114 Å²	114	130.9 Å²	130.9	80%	0.797	79%	0.79	S	S	*	*			trans	-83.2	147.1	-174	52.7	0	0	0	0	113.9
31	I	27.1	Very low	28.8	Very low	178 Å²	178	129.5 Å²	129.5	91%	0.913	79%	0.785	S	S	*	*			trans	-130.3	136.8	148	-58.1	-179.1	0	0	0	106
32	G	28.8	Very low	29.4	Very low	65 Å²	65	124.5 Å²	124.5	67%	0.67	77%	0.768	S	S	*	*			trans	-140.3	152.3	-172	0	0	0	0	0	114.5
33	L	27.3	Very low	30.2	Very low	165 Å²	165	125 Å²	125	86%	0.864	75%	0.753	S	S	*	*			trans	-138.9	92.8	165.3	-71.8	173.7	0	0	0	106.1
34	E	29.1	Very low	31.2	Very low	172 Å²	172	124 Å²	124	80%	0.804	74%	0.74	S	S	*	*				64.3	82.5	89.7	-166.6	166.6	-137.7	0	0	112.9
35	A	29.6	Very low	32.3	Very low	93 Å²	93	120.4 Å²	120.4	77%	0.769	73%	0.733	S	S	*	*			trans	-80.1	128.2	173.3	0	0	0	0	0	111.4	A37	A35-A37 PolarHBondContact O-N 3.28Å
36	L	36.3	Very low	33.4	Very low	182 Å²	182	121.2 Å²	121.2	95%	0.953	72%	0.723	S	S	*	*			trans	-76.1	84.8	175.8	-70.9	175.2	0	0	0	111.8
37	A	28.5	Very low	35	Very low	76 Å²	76	114.1 Å²	114.1	63%	0.628	69%	0.689	S	S	*	*			trans	-115.3	150.6	166.9	0	0	0	0	0	111.1	A35	A35-A37 PolarHBondContact O-N 3.28Å
38	S	30.5	Very low	36.5	Very low	105 Å²	105	110.4 Å²	110.4	73%	0.734	66%	0.66	S	S	*	*			trans	-60.2	140.4	-171.4	-57.7	0	0	0	0	113.8	Q40 A41	S38-Q40 PolarHBondContact O-N 3.44Å; S38-A41 PolarHBondContact O-N 2.86Å
39	L	33.4	Very low	38.1	Very low	167 Å²	167	114 Å²	114	87%	0.874	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.7	6.9	-156.9	-145.3	77.5	0	0	0	118.4
40	Q	38.5	Very low	39.8	Very low	166 Å²	166	111.1 Å²	111.1	78%	0.776	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.7	-33.5	178.6	-77.8	176.2	-62.4	0	0	113.8	S38	S38-Q40 PolarHBondContact O-N 3.44Å
41	A	35.4	Very low	41.4	Very low	82 Å²	82	105.7 Å²	105.7	68%	0.678	60%	0.598	S	S	*	*	H	α-helix	trans	-73.9	-38.1	179.9	0	0	0	0	0	112.5	S38 Y43	S38-A41 PolarHBondContact O-N 2.86Å; A41-Y43 PolarHBondContact O-N 2.7Å; A41-Y43 VanDerWaalsContact O-N 3.09Å
42	G	35.2	Very low	43.1	Very low	41 Å²	41	100.6 Å²	100.6	42%	0.423	58%	0.583	S	S	.	*	H	α-helix	trans	-69.8	-2.1	-179.4	0	0	0	0	0	115.5
43	Y	40.5	Very low	45	Very low	124 Å²	124	102.1 Å²	102.1	49%	0.486	58%	0.583	S	S	.	*	H	α-helix	trans	-86.6	-44.7	179.4	-119.8	-86.8	0	0	0	112.3	A41 G45 K46 V47 P96	A41-Y43 PolarHBondContact O-N 2.7Å; A41-Y43 VanDerWaalsContact O-N 3.09Å; Y43-G45 PolarHBondContact O-N 2.74Å; Y43-K46 PolarHBondContact O-N 3.2Å; Y43-V47 HydrophobicContact CD1-CG2 4.46Å; Y43-V47 PolarHBondContact O-N 2.71Å; Y43-P96 HydrophobicContact CE1-CB 3.93Å; Y43-P96 HydrophobicContact CE1-CG 3.91Å
44	L	45.6	Very low	47.2	Very low	85 Å²	85	97.1 Å²	97.1	45%	0.445	56%	0.557	S	S	.	*	H	α-helix	trans	-60.2	-43.8	-177.8	-86.6	164.4	0	0	0	112.3	K46 V47 Q48 P91	L44-K46 PolarHBondContact O-N 2.9Å; L44-V47 PolarHBondContact O-N 3.25Å; L44-Q48 WeakPolarHBondContact O-CB 2.98Å; L44-Q48 PolarHBondContact O-N 3.47Å; L44-P91 HydrophobicContact CD2-CG 4.22Å
45	G	48.9	Very low	49.5	Very low	48 Å²	48	97.4 Å²	97.4	50%	0.495	56%	0.558	S	S	.	*	H	α-helix	trans	-59.5	-40.6	-179.3	0	0	0	0	0	114.1	Y43 Q48 E49	Y43-G45 PolarHBondContact O-N 2.74Å; G45-Q48 PolarHBondContact O-N 3.27Å; G45-E49 PolarHBondContact O-N 2.87Å
46	K	51.6	Low	52.1	Low	145 Å²	145	96.1 Å²	96.1	63%	0.63	54%	0.538	S	S	*	.	H	α-helix	trans	-72.4	-38.2	178.7	-67.1	-177.4	178.6	-179	0	112.5	Y43 L44 Q48 R50	Y43-K46 PolarHBondContact O-N 3.2Å; L44-K46 PolarHBondContact O-N 2.9Å; K46-Q48 VanDerWaalsContact C-N 3.35Å; K46-R50 WeakPolarHBondContact O-CG 3.42Å; K46-R50 PolarHBondContact O-N 2.96Å
47	V	57.4	Low	54.6	Low	11 Å²	11	87.5 Å²	87.5	7%	0.067	49%	0.493	C	S	.	.	H	α-helix	trans	-67.4	-39.1	173.3	175.1	0	0	0	0	110.3	Y43 L44 R50 A51 F90 P91 L97	Y43-V47 HydrophobicContact CD1-CG2 4.46Å; Y43-V47 PolarHBondContact O-N 2.71Å; L44-V47 PolarHBondContact O-N 3.25Å; V47-R50 PolarHBondContact O-N 2.87Å; V47-A51 WeakPolarHBondContact O-CB 3.05Å; V47-A51 PolarHBondContact O-N 2.91Å; V47-F90 HydrophobicContact CG1-CE2 4.43Å; V47-F90 HydrophobicContact CG1-CZ 4.24Å; V47-P91 HydrophobicContact CG1-CB 3.71Å; V47-L97 HydrophobicContact CG1-CB 4.29Å; V47-L97 HydrophobicContact CG2-CB 4.17Å
48	Q	60.6	Low	57.1	Low	29 Å²	29	84.1 Å²	84.1	14%	0.136	47%	0.465	C	S	.	.	H	α-helix	trans	-63.5	-47.5	179.6	179.9	60.4	17.2	0	0	112.5	L44 G45 K46 R50 A51 A52 S79 T81	L44-Q48 WeakPolarHBondContact O-CB 2.98Å; L44-Q48 PolarHBondContact O-N 3.47Å; G45-Q48 PolarHBondContact O-N 3.27Å; K46-Q48 VanDerWaalsContact C-N 3.35Å; Q48-R50 VanDerWaalsContact C-N 3.34Å; Q48-R50 PolarHBondContact O-N 3.07Å; Q48-A51 PolarHBondContact O-N 2.96Å; Q48-A52 WeakPolarHBondContact O-CB 3.42Å; Q48-A52 PolarHBondContact O-N 2.76Å; Q48-S79 VanDerWaalsContact CD-O 3.28Å; Q48-S79 PolarHBondContact NE2-O 3.19Å; Q48-S79 VanDerWaalsContact NE2-O 3.11Å; Q48-S79 PolarHBondContact NE2-OG 3.27Å; Q48-T81 VanDerWaalsContact NE2-N 3.2Å; Q48-T81 PolarHBondContact NE2-OG1 3.04Å
49	E	60	Low	59.4	Low	155 Å²	155	81.8 Å²	81.8	72%	0.724	44%	0.44	S	S	*	.	H	α-helix	trans	-61.7	-40.9	177.7	-173.9	175.3	-144.3	0	0	112	G45	G45-E49 PolarHBondContact O-N 2.87Å
50	R	64.2	Low	61.9	Low	131 Å²	131	74 Å²	74	49%	0.494	40%	0.399	S	S	.	.	H	α-helix	trans	-73.8	-41.9	177.3	-69.5	175.1	175.1	-163.8	-10.8	112.5	K46 V47 Q48 A52 S53 L97 E98	K46-R50 WeakPolarHBondContact O-CG 3.42Å; K46-R50 PolarHBondContact O-N 2.96Å; V47-R50 PolarHBondContact O-N 2.87Å; Q48-R50 VanDerWaalsContact C-N 3.34Å; Q48-R50 PolarHBondContact O-N 3.07Å; R50-A52 VanDerWaalsContact C-N 3.27Å; R50-A52 PolarHBondContact O-N 3.46Å; R50-S53 PolarHBondContact O-N 2.75Å; R50-S53 PolarHBondContact O-OG 3.43Å; R50-L97 HydrophobicContact CB-CD2 3.46Å; R50-L97 VanDerWaalsContact CB-CD2 3.46Å; R50-E98 IonicContact CZ-OE1 3.9Å; R50-E98 IonicContact NE-OE1 2.86Å; R50-E98 IonicContact NH1-OE1 2.71Å; R50-E98 PolarHBondContact NH1-OE1 2.95Å
51	A	61.8	Low	64	Low	0 Å²	0	69.8 Å²	69.8	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-64.7	-30.7	176.7	0	0	0	0	0	112.3	V47 Q48 S53 L54 L69 T81 F90	V47-A51 WeakPolarHBondContact O-CB 3.05Å; V47-A51 PolarHBondContact O-N 2.91Å; Q48-A51 PolarHBondContact O-N 2.96Å; A51-S53 PolarHBondContact O-N 2.85Å; A51-L54 PolarHBondContact O-N 2.9Å; A51-L54 VanDerWaalsContact O-N 3.16Å; A51-L69 HydrophobicContact CB-CD1 4.15Å; A51-L69 WeakPolarHBondContact O-CD1 3.48Å; A51-T81 HydrophobicContact CB-CG2 4.25Å; A51-F90 HydrophobicContact CB-CE1 3.97Å; A51-F90 HydrophobicContact CB-CZ 3.96Å
52	A	62	Low	66	Low	71 Å²	71	68.4 Å²	68.4	59%	0.587	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-11.5	173.1	0	0	0	0	0	114.2	Q48 R50	Q48-A52 WeakPolarHBondContact O-CB 3.42Å; Q48-A52 PolarHBondContact O-N 2.76Å; R50-A52 VanDerWaalsContact C-N 3.27Å; R50-A52 PolarHBondContact O-N 3.46Å
53	S	67.9	Low	68.1	Low	97 Å²	97	73.3 Å²	73.3	68%	0.678	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	0.6	173.5	74.3	0	0	0	0	114.3	R50 A51	R50-S53 PolarHBondContact O-N 2.75Å; R50-S53 PolarHBondContact O-OG 3.43Å; A51-S53 PolarHBondContact O-N 2.85Å
54	L	73.2	Confident	70.1	Confident	60 Å²	60	70.7 Å²	70.7	31%	0.314	39%	0.388	S	S	.	.			trans	-107.2	127.9	178.5	-65.5	175.2	0	0	0	109.9	A51 P58 L69 L97	A51-L54 PolarHBondContact O-N 2.9Å; A51-L54 VanDerWaalsContact O-N 3.16Å; L54-P58 HydrophobicContact CD1-CB 4.46Å; L54-P58 HydrophobicContact CD1-CG 4Å; L54-L69 HydrophobicContact CB-CD1 3.92Å; L54-L97 HydrophobicContact CD1-CD1 4.38Å
55	E	77.4	Confident	71.8	Confident	178 Å²	178	70.3 Å²	70.3	83%	0.832	39%	0.386	S	S	*	.	S	Bend	trans	-74	-41.7	174.6	-60.9	-174	150.5	0	0	111.3	A68 L69	E55-A68 CarbonylContact O-C 3.13Å; E55-A68 VanDerWaalsContact O-CA 3.24Å; E55-A68 WeakPolarHBondContact O-CA 3.38Å; E55-L69 PolarHBondContact O-N 3.4Å
56	D	85.1	Confident	73.7	Confident	65 Å²	65	73.1 Å²	73.1	35%	0.348	39%	0.394	S	S	.	.	B	Isolated β-bridge	trans	-102	148.2	179.6	-97.1	-50	0	0	0	113.3	P58 F67	D56-P58 WeakPolarHBondContact O-CD 3.34Å; D56-F67 VanDerWaalsContact OD1-C 3.23Å; D56-F67 PolarHBondContact OD1-N 3.4Å
57	C	88.1	Confident	75.4	Confident	1 Å²	1	69.6 Å²	69.6	1%	0.007	38%	0.378	C	S	.	.			trans	-71.7	118.4	177.9	177.2	0	0	0	0	111.6	W59 C60 N61 F67 L69 C83	C57-W59 VanDerWaalsContact C-N 3.27Å; C57-W59 PolarHBondContact O-N 3.12Å; C57-C60 HydrophobicContact CB-CB 4.08Å; C57-C60 PolarHBondContact O-N 3.24Å; C57-C60 VanDerWaalsContact O-N 3.11Å; C57-N61 WeakPolarHBondContact O-CB 3.18Å; C57-N61 PolarHBondContact O-N 3.36Å; C57-F67 WeakPolarHBondContact CB-O 3.32Å; C57-F67 PolarHBondContact N-O 3.41Å; C57-L69 HydrophobicContact CB-CD2 3.65Å; C57-L69 HydrophobicContact CB-CG 4.12Å; C57-C83 HydrophobicContact CB-CB 4.09Å; C57-C83 WeakPolarHBondContact CB-SG 3.31Å
58	P	81.1	Confident	77	Confident	5 Å²	5	71.4 Å²	71.4	3%	0.032	40%	0.395	C	S	.	.	H	α-helix	trans	-66.8	-27.2	-176.7	26.3	-33.6	0	0	0	112.9	L54 D56 S62 F90 L97 V100 L104	L54-P58 HydrophobicContact CD1-CB 4.46Å; L54-P58 HydrophobicContact CD1-CG 4Å; D56-P58 WeakPolarHBondContact O-CD 3.34Å; P58-S62 WeakPolarHBondContact O-CB 3.47Å; P58-S62 PolarHBondContact O-N 2.85Å; P58-S62 PolarHBondContact O-OG 2.99Å; P58-F90 HydrophobicContact CG-CD2 4.45Å; P58-F90 HydrophobicContact CG-CE2 3.79Å; P58-F90 HydrophobicContact CG-CZ 3.87Å; P58-L97 HydrophobicContact CB-CD1 4.11Å; P58-L97 HydrophobicContact CG-CD1 3.49Å; P58-L97 VanDerWaalsContact CG-CD1 3.49Å; P58-V100 HydrophobicContact CB-CG1 4.05Å; P58-L104 HydrophobicContact CB-CD1 4.41Å
59	W	80.4	Confident	78.3	Confident	56 Å²	56	71.1 Å²	71.1	21%	0.212	39%	0.394	C	S	.	.	H	α-helix	trans	-73.1	-32.5	175.2	-159.3	-61.3	0	0	0	112.6	C57 S62 F90 V93 R95 V100	C57-W59 VanDerWaalsContact C-N 3.27Å; C57-W59 PolarHBondContact O-N 3.12Å; W59-S62 WeakPolarHBondContact CA-OG 3.24Å; W59-S62 PolarHBondContact O-OG 3.3Å; W59-S62 VanDerWaalsContact O-OG 3.13Å; W59-F90 HydrophobicContact CB-CB 4.11Å; W59-F90 HydrophobicContact CB-CD2 4.18Å; W59-F90 HydrophobicContact CB-CG 4.44Å; W59-F90 HydrophobicContact CE3-CD2 4.34Å; W59-V93 HydrophobicContact CH2-CB 3.73Å; W59-V93 HydrophobicContact CH2-CG1 3.57Å; W59-V93 HydrophobicContact CZ2-CB 4.46Å; W59-V93 HydrophobicContact CZ2-CG1 4.26Å; W59-V93 HydrophobicContact CZ3-CB 4.01Å; W59-V93 HydrophobicContact CZ3-CG1 4.28Å; W59-R95 HydrophobicContact CH2-CB 4.34Å; W59-R95 HydrophobicContact CH2-CG 4.42Å; W59-R95 HydrophobicContact CZ3-CB 4.1Å; W59-V100 HydrophobicContact CE3-CG2 4.39Å
60	C	84.6	Confident	79.6	Confident	3 Å²	3	70.9 Å²	70.9	2%	0.02	39%	0.387	C	S	.	.	H	α-helix	trans	-76	-41.7	170.9	-75	0	0	0	0	110.8	C57 S62 K63 G64 L65 F67	C57-C60 HydrophobicContact CB-CB 4.08Å; C57-C60 PolarHBondContact O-N 3.24Å; C57-C60 VanDerWaalsContact O-N 3.11Å; C60-S62 VanDerWaalsContact C-N 3.34Å; C60-S62 PolarHBondContact O-N 2.85Å; C60-K63 CarbonylContact O-C 3.52Å; C60-K63 WeakPolarHBondContact O-CA 3.24Å; C60-K63 WeakPolarHBondContact O-CB 3.32Å; C60-K63 PolarHBondContact O-N 3.45Å; C60-G64 PolarHBondContact O-N 2.81Å; C60-L65 CarbonylContact C-O 3.5Å; C60-L65 HydrophobicContact CB-CB 4.07Å; C60-L65 WeakPolarHBondContact CB-O 3.27Å; C60-L65 PolarHBondContact O-N 3.24Å; C60-L65 VanDerWaalsContact O-O 3.12Å; C60-F67 HydrophobicContact CB-CB 4.09Å; C60-F67 HydrophobicContact CB-CD2 4.06Å
61	N	82.7	Confident	80.6	Confident	79 Å²	79	67.8 Å²	67.8	42%	0.422	39%	0.385	S	S	.	.	H	α-helix	trans	-61.9	-39.5	-179.3	-162.7	15.7	0	0	0	112.2	C57 K63 G64 L65	C57-N61 WeakPolarHBondContact O-CB 3.18Å; C57-N61 PolarHBondContact O-N 3.36Å; N61-K63 PolarHBondContact O-N 2.73Å; N61-K63 VanDerWaalsContact O-N 3.12Å; N61-G64 PolarHBondContact O-N 2.76Å; N61-L65 PolarHBondContact N-O 3.25Å
62	S	77.6	Confident	81.6	Confident	53 Å²	53	72.9 Å²	72.9	37%	0.371	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-8.1	171.1	50.2	0	0	0	0	115.1	P58 W59 C60	P58-S62 WeakPolarHBondContact O-CB 3.47Å; P58-S62 PolarHBondContact O-N 2.85Å; P58-S62 PolarHBondContact O-OG 2.99Å; W59-S62 WeakPolarHBondContact CA-OG 3.24Å; W59-S62 PolarHBondContact O-OG 3.3Å; W59-S62 VanDerWaalsContact O-OG 3.13Å; C60-S62 VanDerWaalsContact C-N 3.34Å; C60-S62 PolarHBondContact O-N 2.85Å
63	K	80.5	Confident	82.3	Confident	144 Å²	144	79.9 Å²	79.9	63%	0.626	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.6	9.2	168.7	-63.6	-176.3	175.2	-172.5	0	113	C60 N61 L65	C60-K63 CarbonylContact O-C 3.52Å; C60-K63 WeakPolarHBondContact O-CA 3.24Å; C60-K63 WeakPolarHBondContact O-CB 3.32Å; C60-K63 PolarHBondContact O-N 3.45Å; N61-K63 PolarHBondContact O-N 2.73Å; N61-K63 VanDerWaalsContact O-N 3.12Å; K63-L65 VanDerWaalsContact C-N 3.32Å; K63-L65 HydrophobicContact CB-CD1 4.38Å; K63-L65 HydrophobicContact CB-CG 4.43Å
64	G	81.5	Confident	82.8	Confident	69 Å²	69	80.6 Å²	80.6	71%	0.711	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	72	22	-175.4	0	0	0	0	0	114.3	C60 N61	C60-G64 PolarHBondContact O-N 2.81Å; N61-G64 PolarHBondContact O-N 2.76Å
65	L	82.1	Confident	83	Confident	77 Å²	77	81 Å²	81	40%	0.403	41%	0.413	S	S	.	.			trans	-114.8	121.2	-178	-60.6	174.6	0	0	0	110.5	C60 N61 K63 F67	C60-L65 CarbonylContact C-O 3.5Å; C60-L65 HydrophobicContact CB-CB 4.07Å; C60-L65 WeakPolarHBondContact CB-O 3.27Å; C60-L65 PolarHBondContact O-N 3.24Å; C60-L65 VanDerWaalsContact O-O 3.12Å; N61-L65 PolarHBondContact N-O 3.25Å; K63-L65 VanDerWaalsContact C-N 3.32Å; K63-L65 HydrophobicContact CB-CD1 4.38Å; K63-L65 HydrophobicContact CB-CG 4.43Å; L65-F67 HydrophobicContact CB-CD2 3.87Å; L65-F67 HydrophobicContact CB-CE2 3.97Å; L65-F67 HydrophobicContact CD1-CE2 4.37Å
66	T	88.1	Confident	82.4	Confident	107 Å²	107	80.6 Å²	80.6	66%	0.656	42%	0.416	S	S	*	.			trans	-83.8	122.7	171.6	46.4	0	0	0	0	110.1
67	F	87.7	Confident	81.3	Confident	70 Å²	70	86.1 Å²	86.1	31%	0.307	44%	0.44	S	S	.	.			trans	-153.9	115.7	179.6	-82.9	-82	0	0	0	108.1	D56 C57 C60 L65 N85	D56-F67 VanDerWaalsContact OD1-C 3.23Å; D56-F67 PolarHBondContact OD1-N 3.4Å; C57-F67 WeakPolarHBondContact CB-O 3.32Å; C57-F67 PolarHBondContact N-O 3.41Å; C60-F67 HydrophobicContact CB-CB 4.09Å; C60-F67 HydrophobicContact CB-CD2 4.06Å; L65-F67 HydrophobicContact CB-CD2 3.87Å; L65-F67 HydrophobicContact CB-CE2 3.97Å; L65-F67 HydrophobicContact CD1-CE2 4.37Å; F67-N85 HydrophobicContact CB-CB 4.2Å; F67-N85 HydrophobicContact CD1-CB 3.59Å; F67-N85 HydrophobicContact CD2-CB 3.89Å; F67-N85 HydrophobicContact CE1-CB 3.79Å; F67-N85 HydrophobicContact CE2-CB 4.09Å; F67-N85 WeakPolarHBondContact CE2-ND2 3.5Å; F67-N85 HydrophobicContact CG-CB 3.64Å; F67-N85 HydrophobicContact CZ-CB 4.04Å; F67-N85 WeakPolarHBondContact CZ-ND2 3.38Å
68	A	89.8	Confident	80.7	Confident	49 Å²	49	91.5 Å²	91.5	41%	0.405	47%	0.465	S	S	.	.	B	Isolated β-bridge	trans	-58.9	150.7	-177.2	0	0	0	0	0	112.6	E55 T84	E55-A68 CarbonylContact O-C 3.13Å; E55-A68 VanDerWaalsContact O-CA 3.24Å; E55-A68 WeakPolarHBondContact O-CA 3.38Å; A68-T84 HydrophobicContact CB-CG2 4.43Å; A68-T84 PolarHBondContact N-OG1 3.1Å; A68-T84 WeakPolarHBondContact O-CB 3.45Å; A68-T84 VanDerWaalsContact O-CG2 3.26Å; A68-T84 WeakPolarHBondContact O-CG2 3.46Å; A68-T84 PolarHBondContact O-N 3.24Å; A68-T84 PolarHBondContact O-OG1 2.99Å
69	L	88.4	Confident	80.7	Confident	24 Å²	24	93.5 Å²	93.5	13%	0.126	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	142.3	164.9	-69.9	178.4	0	0	0	110.3	A51 L54 E55 C57 T81 L82 C83 F90	A51-L69 HydrophobicContact CB-CD1 4.15Å; A51-L69 WeakPolarHBondContact O-CD1 3.48Å; L54-L69 HydrophobicContact CB-CD1 3.92Å; E55-L69 PolarHBondContact O-N 3.4Å; C57-L69 HydrophobicContact CB-CD2 3.65Å; C57-L69 HydrophobicContact CB-CG 4.12Å; L69-T81 HydrophobicContact CB-CG2 3.7Å; L69-T81 HydrophobicContact CD1-CG2 4.15Å; L69-T81 HydrophobicContact CD2-CG2 4.38Å; L69-T81 HydrophobicContact CG-CG2 4.29Å; L69-L82 WeakPolarHBondContact CA-O 3.29Å; L69-C83 HydrophobicContact CD2-CB 4.49Å; L69-F90 HydrophobicContact CD1-CE1 4.02Å; L69-F90 HydrophobicContact CD2-CD1 3.58Å; L69-F90 HydrophobicContact CD2-CE1 3.6Å
70	R	87.5	Confident	80.9	Confident	150 Å²	150	92.8 Å²	92.8	57%	0.566	48%	0.479	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.5	128.4	175	177.5	169.9	-82.7	-176.8	-5.2	110.2	Y72 T81 L82 T84	R70-Y72 HydrophobicContact CB-CE2 3.83Å; R70-Y72 WeakPolarHBondContact CD-OH 3.23Å; R70-Y72 HydrophobicContact CG-CD2 4.24Å; R70-Y72 HydrophobicContact CG-CE2 3.63Å; R70-Y72 VanDerWaalsContact O-CD2 3.22Å; R70-Y72 WeakPolarHBondContact O-CD2 3.08Å; R70-Y72 WeakPolarHBondContact O-CE2 3.19Å; R70-T81 CarbonylContact O-C 2.94Å; R70-T81 WeakPolarHBondContact O-CA 3.27Å; R70-L82 PolarHBondContact N-O 2.88Å; R70-L82 PolarHBondContact O-N 3.3Å; R70-T84 HydrophobicContact CB-CG2 4.16Å
71	S	85.3	Confident	80.9	Confident	66 Å²	66	92.9 Å²	92.9	46%	0.462	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	129.5	176.6	-153.4	0	0	0	0	111.6	T81	S71-T81 WeakPolarHBondContact CB-OG1 3.42Å; S71-T81 PolarHBondContact OG-OG1 2.84Å
72	Y	81.9	Confident	81.1	Confident	107 Å²	107	91.4 Å²	91.4	42%	0.42	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	125.4	178.5	-62.4	-99.6	0	0	0	108	R70 S79 I80 L82	R70-Y72 HydrophobicContact CB-CE2 3.83Å; R70-Y72 WeakPolarHBondContact CD-OH 3.23Å; R70-Y72 HydrophobicContact CG-CD2 4.24Å; R70-Y72 HydrophobicContact CG-CE2 3.63Å; R70-Y72 VanDerWaalsContact O-CD2 3.22Å; R70-Y72 WeakPolarHBondContact O-CD2 3.08Å; R70-Y72 WeakPolarHBondContact O-CE2 3.19Å; Y72-S79 CarbonylContact O-C 3.59Å; Y72-S79 WeakPolarHBondContact O-CA 3.46Å; Y72-S79 WeakPolarHBondContact O-CB 3.29Å; Y72-I80 PolarHBondContact N-O 2.94Å; Y72-I80 PolarHBondContact O-N 3.48Å; Y72-L82 HydrophobicContact CD2-CB 4.31Å; Y72-L82 HydrophobicContact CD2-CD1 4.15Å; Y72-L82 HydrophobicContact CD2-CG 4.26Å; Y72-L82 HydrophobicContact CE2-CB 4.08Å; Y72-L82 HydrophobicContact CE2-CD1 4.26Å; Y72-L82 HydrophobicContact CE2-CG 4.45Å
73	R	78.1	Confident	81.7	Confident	217 Å²	217	89.5 Å²	89.5	82%	0.819	46%	0.458	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.2	131.3	176.7	-67.9	-173.5	-179.8	-174.3	-0.8	110.1
74	I	78.8	Confident	82.1	Confident	112 Å²	112	85.5 Å²	85.5	57%	0.574	45%	0.445	S	S	*	.	S	Bend	trans	-90.4	-39.5	173.7	-59.2	176.7	0	0	0	109.2	E78 I80	I74-E78 HydrophobicContact CB-CB 4.49Å; I74-E78 PolarHBondContact N-O 3.47Å; I74-I80 HydrophobicContact CD1-CB 4.06Å; I74-I80 HydrophobicContact CD1-CG2 3.98Å; I74-I80 HydrophobicContact CG1-CG2 4.09Å
75	N	76.9	Confident	82.5	Confident	68 Å²	68	83.2 Å²	83.2	36%	0.364	42%	0.417	S	S	.	.	S	Bend	trans	-153.5	-161.8	175.2	57.1	58.8	0	0	0	110.1	Q77 E78	N75-Q77 VanDerWaalsContact C-N 3.31Å; N75-Q77 PolarHBondContact O-N 3.48Å; N75-Q77 WeakPolarHBondContact OD1-CA 3.09Å; N75-Q77 PolarHBondContact OD1-N 2.88Å; N75-E78 PolarHBondContact N-O 2.94Å; N75-E78 PolarHBondContact ND2-OE2 2.8Å; N75-E78 PolarHBondContact OD1-N 3.03Å
76	L	65.5	Low	82.4	Confident	170 Å²	170	85.1 Å²	85.1	89%	0.89	43%	0.434	S	S	*	.	S	Bend	trans	-70.9	-23.6	179.8	-67	173.3	0	0	0	113.9
77	Q	60.1	Low	82.1	Confident	181 Å²	181	88.1 Å²	88.1	85%	0.846	44%	0.441	S	S	*	.	S	Bend	trans	-106.7	-26.7	-173.3	-157.5	79.8	12.6	0	0	112.3	N75	N75-Q77 VanDerWaalsContact C-N 3.31Å; N75-Q77 PolarHBondContact O-N 3.48Å; N75-Q77 WeakPolarHBondContact OD1-CA 3.09Å; N75-Q77 PolarHBondContact OD1-N 2.88Å
78	E	75.6	Confident	81.9	Confident	115 Å²	115	85.5 Å²	85.5	54%	0.537	43%	0.431	S	S	.	.			trans	-124.1	142.9	-168.1	-61.6	176.1	138.2	0	0	113.4	I74 N75	I74-E78 HydrophobicContact CB-CB 4.49Å; I74-E78 PolarHBondContact N-O 3.47Å; N75-E78 PolarHBondContact N-O 2.94Å; N75-E78 PolarHBondContact ND2-OE2 2.8Å; N75-E78 PolarHBondContact OD1-N 3.03Å
79	S	82	Confident	81.5	Confident	47 Å²	47	88.5 Å²	88.5	33%	0.329	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	157.5	171.9	59.6	0	0	0	0	110.6	Q48 Y72	Q48-S79 VanDerWaalsContact CD-O 3.28Å; Q48-S79 PolarHBondContact NE2-O 3.19Å; Q48-S79 VanDerWaalsContact NE2-O 3.11Å; Q48-S79 PolarHBondContact NE2-OG 3.27Å; Y72-S79 CarbonylContact O-C 3.59Å; Y72-S79 WeakPolarHBondContact O-CA 3.46Å; Y72-S79 WeakPolarHBondContact O-CB 3.29Å
80	I	84.4	Confident	81	Confident	41 Å²	41	87.6 Å²	87.6	21%	0.21	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	130.7	172.6	-171.6	168.7	0	0	0	109.8	Y72 I74 L82 L92	Y72-I80 PolarHBondContact N-O 2.94Å; Y72-I80 PolarHBondContact O-N 3.48Å; I74-I80 HydrophobicContact CD1-CB 4.06Å; I74-I80 HydrophobicContact CD1-CG2 3.98Å; I74-I80 HydrophobicContact CG1-CG2 4.09Å; I80-L82 HydrophobicContact CD1-CD2 3.85Å; I80-L82 HydrophobicContact CG1-CD2 3.85Å; I80-L82 HydrophobicContact CG1-CG 4.28Å; I80-L82 HydrophobicContact CG2-CG 4.5Å; I80-L92 HydrophobicContact CD1-CD2 3.97Å
81	T	85	Confident	80.3	Confident	4 Å²	4	81.2 Å²	81.2	3%	0.025	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	106	-176.9	-66.6	0	0	0	0	109.3	Q48 A51 L69 R70 S71 P91	Q48-T81 VanDerWaalsContact NE2-N 3.2Å; Q48-T81 PolarHBondContact NE2-OG1 3.04Å; A51-T81 HydrophobicContact CB-CG2 4.25Å; L69-T81 HydrophobicContact CB-CG2 3.7Å; L69-T81 HydrophobicContact CD1-CG2 4.15Å; L69-T81 HydrophobicContact CD2-CG2 4.38Å; L69-T81 HydrophobicContact CG-CG2 4.29Å; R70-T81 CarbonylContact O-C 2.94Å; R70-T81 WeakPolarHBondContact O-CA 3.27Å; S71-T81 WeakPolarHBondContact CB-OG1 3.42Å; S71-T81 PolarHBondContact OG-OG1 2.84Å; T81-P91 WeakPolarHBondContact O-CD 3.45Å
82	L	87.5	Confident	79.5	Confident	49 Å²	49	83.2 Å²	83.2	26%	0.257	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	157.1	-174.8	-59.4	177.5	0	0	0	111.1	L69 R70 Y72 I80 L92	L69-L82 WeakPolarHBondContact CA-O 3.29Å; R70-L82 PolarHBondContact N-O 2.88Å; R70-L82 PolarHBondContact O-N 3.3Å; Y72-L82 HydrophobicContact CD2-CB 4.31Å; Y72-L82 HydrophobicContact CD2-CD1 4.15Å; Y72-L82 HydrophobicContact CD2-CG 4.26Å; Y72-L82 HydrophobicContact CE2-CB 4.08Å; Y72-L82 HydrophobicContact CE2-CD1 4.26Å; Y72-L82 HydrophobicContact CE2-CG 4.45Å; I80-L82 HydrophobicContact CD1-CD2 3.85Å; I80-L82 HydrophobicContact CG1-CD2 3.85Å; I80-L82 HydrophobicContact CG1-CG 4.28Å; I80-L82 HydrophobicContact CG2-CG 4.5Å; L82-L92 HydrophobicContact CD2-CG 4.49Å
83	C	89.9	Confident	78.4	Confident	12 Å²	12	80.7 Å²	80.7	8%	0.081	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	141.8	169.3	-170.5	0	0	0	0	111.5	C57 L69 N85 C88 F90	C57-C83 HydrophobicContact CB-CB 4.09Å; C57-C83 WeakPolarHBondContact CB-SG 3.31Å; L69-C83 HydrophobicContact CD2-CB 4.49Å; C83-N85 PolarHBondContact O-N 2.95Å; C83-N85 PolarHBondContact SG-N 3.38Å; C83-N85 VanDerWaalsContact SG-N 3.37Å; C83-C88 HydrophobicContact CB-CB 3.74Å; C83-F90 HydrophobicContact CB-CB 4.42Å; C83-F90 PolarHBondContact N-O 3.19Å
84	T	89.1	Confident	76.8	Confident	60 Å²	60	77 Å²	77	37%	0.368	42%	0.415	S	S	.	.	S	Bend	trans	-72.2	-11.2	171.7	48.8	0	0	0	0	114.1	A68 R70 P86	A68-T84 HydrophobicContact CB-CG2 4.43Å; A68-T84 PolarHBondContact N-OG1 3.1Å; A68-T84 WeakPolarHBondContact O-CB 3.45Å; A68-T84 VanDerWaalsContact O-CG2 3.26Å; A68-T84 WeakPolarHBondContact O-CG2 3.46Å; A68-T84 PolarHBondContact O-N 3.24Å; A68-T84 PolarHBondContact O-OG1 2.99Å; R70-T84 HydrophobicContact CB-CG2 4.16Å; T84-P86 WeakPolarHBondContact O-CD 3.35Å
85	N	88.4	Confident	75.9	Confident	22 Å²	22	79.9 Å²	79.9	12%	0.118	42%	0.419	C	S	.	.	S	Bend	trans	-80.8	117.4	170.7	-174.4	-25.8	0	0	0	110.4	F67 C83 Q87 C88	F67-N85 HydrophobicContact CB-CB 4.2Å; F67-N85 HydrophobicContact CD1-CB 3.59Å; F67-N85 HydrophobicContact CD2-CB 3.89Å; F67-N85 HydrophobicContact CE1-CB 3.79Å; F67-N85 HydrophobicContact CE2-CB 4.09Å; F67-N85 WeakPolarHBondContact CE2-ND2 3.5Å; F67-N85 HydrophobicContact CG-CB 3.64Å; F67-N85 HydrophobicContact CZ-CB 4.04Å; F67-N85 WeakPolarHBondContact CZ-ND2 3.38Å; C83-N85 PolarHBondContact O-N 2.95Å; C83-N85 PolarHBondContact SG-N 3.38Å; C83-N85 VanDerWaalsContact SG-N 3.37Å; N85-Q87 PolarHBondContact O-N 2.97Å; N85-Q87 VanDerWaalsContact O-N 3.14Å; N85-Q87 WeakPolarHBondContact OD1-CB 3.29Å; N85-Q87 PolarHBondContact OD1-N 3.37Å; N85-C88 HydrophobicContact CB-CB 3.79Å; N85-C88 WeakPolarHBondContact O-CB 3.44Å; N85-C88 PolarHBondContact O-N 3.34Å
86	P	81.4	Confident	75.1	Confident	117 Å²	117	77.6 Å²	77.6	76%	0.76	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-16.5	-178.9	27.9	-35.6	0	0	0	113.9	T84 C88	T84-P86 WeakPolarHBondContact O-CD 3.35Å; P86-C88 VanDerWaalsContact C-N 3.35Å
87	Q	81.3	Confident	74.8	Confident	169 Å²	169	69.6 Å²	69.6	79%	0.79	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	5.5	174	-56.9	-63.2	-28.5	0	0	112.7	N85	N85-Q87 PolarHBondContact O-N 2.97Å; N85-Q87 VanDerWaalsContact O-N 3.14Å; N85-Q87 WeakPolarHBondContact OD1-CB 3.29Å; N85-Q87 PolarHBondContact OD1-N 3.37Å
88	C	83.9	Confident	75.1	Confident	16 Å²	16	64 Å²	64	11%	0.108	34%	0.339	C	S	.	.			trans	-111.8	102.1	-179.7	-174.3	0	0	0	0	111.5	C83 N85 P86 F90	C83-C88 HydrophobicContact CB-CB 3.74Å; N85-C88 HydrophobicContact CB-CB 3.79Å; N85-C88 WeakPolarHBondContact O-CB 3.44Å; N85-C88 PolarHBondContact O-N 3.34Å; P86-C88 VanDerWaalsContact C-N 3.35Å; C88-F90 PolarHBondContact O-N 3.39Å
89	L	79.8	Confident	74.5	Confident	111 Å²	111	63.1 Å²	63.1	58%	0.581	34%	0.338	S	S	*	.			trans	-74.7	28.5	177.7	-59.8	175.7	0	0	0	113.8	L92 V93	L89-L92 WeakPolarHBondContact O-CA 3.34Å; L89-L92 WeakPolarHBondContact O-CB 3.44Å; L89-L92 PolarHBondContact O-N 3.04Å; L89-V93 HydrophobicContact CB-CG2 3.5Å; L89-V93 VanDerWaalsContact CB-CG2 3.5Å; L89-V93 HydrophobicContact CD1-CG2 4.17Å; L89-V93 HydrophobicContact CG-CG2 4.5Å; L89-V93 PolarHBondContact O-N 3.06Å
90	F	79.5	Confident	73.6	Confident	6 Å²	6	61.4 Å²	61.4	3%	0.026	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	130.6	174.3	176.7	-89.8	0	0	0	110.1	V47 A51 P58 W59 L69 C83 C88 L97	V47-F90 HydrophobicContact CG1-CE2 4.43Å; V47-F90 HydrophobicContact CG1-CZ 4.24Å; A51-F90 HydrophobicContact CB-CE1 3.97Å; A51-F90 HydrophobicContact CB-CZ 3.96Å; P58-F90 HydrophobicContact CG-CD2 4.45Å; P58-F90 HydrophobicContact CG-CE2 3.79Å; P58-F90 HydrophobicContact CG-CZ 3.87Å; W59-F90 HydrophobicContact CB-CB 4.11Å; W59-F90 HydrophobicContact CB-CD2 4.18Å; W59-F90 HydrophobicContact CB-CG 4.44Å; W59-F90 HydrophobicContact CE3-CD2 4.34Å; L69-F90 HydrophobicContact CD1-CE1 4.02Å; L69-F90 HydrophobicContact CD2-CD1 3.58Å; L69-F90 HydrophobicContact CD2-CE1 3.6Å; C83-F90 HydrophobicContact CB-CB 4.42Å; C83-F90 PolarHBondContact N-O 3.19Å; C88-F90 PolarHBondContact O-N 3.39Å; F90-L97 HydrophobicContact CE2-CD1 4.29Å; F90-L97 HydrophobicContact CZ-CD1 4.45Å
91	P	70.9	Confident	72.4	Confident	16 Å²	16	63.3 Å²	63.3	10%	0.104	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	cis	-103.4	22.7	6.4	39.8	-31.5	0	0	0	113.2	L44 V47 T81 V93	L44-P91 HydrophobicContact CD2-CG 4.22Å; V47-P91 HydrophobicContact CG1-CB 3.71Å; T81-P91 WeakPolarHBondContact O-CD 3.45Å; P91-V93 VanDerWaalsContact C-N 3.28Å; P91-V93 PolarHBondContact O-N 3.09Å
92	L	69.3	Low	71.2	Confident	107 Å²	107	66.5 Å²	66.5	56%	0.56	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-7.1	-171.6	-54.6	176.2	0	0	0	114.4	I80 L82 L89	I80-L92 HydrophobicContact CD1-CD2 3.97Å; L82-L92 HydrophobicContact CD2-CG 4.49Å; L89-L92 WeakPolarHBondContact O-CA 3.34Å; L89-L92 WeakPolarHBondContact O-CB 3.44Å; L89-L92 PolarHBondContact O-N 3.04Å
93	V	58.7	Low	69.7	Low	54 Å²	54	68.3 Å²	68.3	33%	0.327	38%	0.379	S	S	.	.	S	Bend	trans	-99.2	141.3	179	-174.6	0	0	0	0	110.8	W59 L89 P91 R95	W59-V93 HydrophobicContact CH2-CB 3.73Å; W59-V93 HydrophobicContact CH2-CG1 3.57Å; W59-V93 HydrophobicContact CZ2-CB 4.46Å; W59-V93 HydrophobicContact CZ2-CG1 4.26Å; W59-V93 HydrophobicContact CZ3-CB 4.01Å; W59-V93 HydrophobicContact CZ3-CG1 4.28Å; L89-V93 HydrophobicContact CB-CG2 3.5Å; L89-V93 VanDerWaalsContact CB-CG2 3.5Å; L89-V93 HydrophobicContact CD1-CG2 4.17Å; L89-V93 HydrophobicContact CG-CG2 4.5Å; L89-V93 PolarHBondContact O-N 3.06Å; P91-V93 VanDerWaalsContact C-N 3.28Å; P91-V93 PolarHBondContact O-N 3.09Å; V93-R95 PolarHBondContact O-N 2.97Å
94	T	45.3	Very low	67.8	Low	139 Å²	139	70.7 Å²	70.7	85%	0.853	39%	0.391	S	S	*	.	S	Bend	trans	-72.5	40.7	-165.3	51.3	0	0	0	0	116.6
95	R	58.7	Low	65.7	Low	174 Å²	174	70.8 Å²	70.8	66%	0.657	40%	0.398	S	S	*	.	S	Bend	trans	-113.5	137.8	169.2	-71.7	-168	175.9	-167.5	-1.5	111.7	W59 V93	W59-R95 HydrophobicContact CH2-CB 4.34Å; W59-R95 HydrophobicContact CH2-CG 4.42Å; W59-R95 HydrophobicContact CZ3-CB 4.1Å; V93-R95 PolarHBondContact O-N 2.97Å
96	P	59.6	Low	63.4	Low	19 Å²	19	75.9 Å²	75.9	12%	0.123	43%	0.432	C	S	.	.			trans	-55.5	145.9	169.7	-20.4	31.1	0	0	0	111.6	Y43 E98 D99 V100	Y43-P96 HydrophobicContact CE1-CB 3.93Å; Y43-P96 HydrophobicContact CE1-CG 3.91Å; P96-E98 HydrophobicContact CB-CB 4.24Å; P96-E98 VanDerWaalsContact CB-OE2 3.28Å; P96-E98 WeakPolarHBondContact CB-OE2 3.29Å; P96-E98 PolarHBondContact O-N 2.82Å; P96-D99 HydrophobicContact CB-CB 4.28Å; P96-D99 WeakPolarHBondContact CD-OD2 3.49Å; P96-D99 HydrophobicContact CG-CB 4.42Å; P96-D99 PolarHBondContact O-N 3.19Å; P96-V100 PolarHBondContact O-N 3.03Å
97	L	61	Low	61.3	Low	3 Å²	3	76.7 Å²	76.7	2%	0.016	44%	0.435	C	S	.	.	H	α-helix	trans	-63.5	-31.1	170.2	173	59.4	0	0	0	110.4	V47 R50 L54 P58 F90 V100 L101	V47-L97 HydrophobicContact CG1-CB 4.29Å; V47-L97 HydrophobicContact CG2-CB 4.17Å; R50-L97 HydrophobicContact CB-CD2 3.46Å; R50-L97 VanDerWaalsContact CB-CD2 3.46Å; L54-L97 HydrophobicContact CD1-CD1 4.38Å; P58-L97 HydrophobicContact CB-CD1 4.11Å; P58-L97 HydrophobicContact CG-CD1 3.49Å; P58-L97 VanDerWaalsContact CG-CD1 3.49Å; F90-L97 HydrophobicContact CE2-CD1 4.29Å; F90-L97 HydrophobicContact CZ-CD1 4.45Å; L97-V100 PolarHBondContact O-N 3.07Å; L97-L101 HydrophobicContact CD1-CD1 4.2Å; L97-L101 HydrophobicContact CD1-CG 4.11Å; L97-L101 HydrophobicContact CG-CD1 3.92Å; L97-L101 HydrophobicContact CG-CG 4.29Å; L97-L101 WeakPolarHBondContact O-CG 3.38Å; L97-L101 PolarHBondContact O-N 2.84Å
98	E	65.4	Low	59.1	Low	63 Å²	63	76.1 Å²	76.1	29%	0.294	44%	0.437	S	S	.	.	H	α-helix	trans	-62.4	-42	178.8	-61.4	64.9	-144.8	0	0	111.3	R50 P96 L101 A102	R50-E98 IonicContact CZ-OE1 3.9Å; R50-E98 IonicContact NE-OE1 2.86Å; R50-E98 IonicContact NH1-OE1 2.71Å; R50-E98 PolarHBondContact NH1-OE1 2.95Å; P96-E98 HydrophobicContact CB-CB 4.24Å; P96-E98 VanDerWaalsContact CB-OE2 3.28Å; P96-E98 WeakPolarHBondContact CB-OE2 3.29Å; P96-E98 PolarHBondContact O-N 2.82Å; E98-L101 PolarHBondContact O-N 2.89Å; E98-A102 VanDerWaalsContact O-CB 3.27Å; E98-A102 WeakPolarHBondContact O-CB 3.23Å; E98-A102 PolarHBondContact O-N 2.65Å
99	D	63.8	Low	57.2	Low	97 Å²	97	80.5 Å²	80.5	52%	0.519	47%	0.465	S	S	.	.	H	α-helix	trans	-67.4	-36.2	175.6	-70.1	8.3	0	0	0	111.4	P96 S103	P96-D99 HydrophobicContact CB-CB 4.28Å; P96-D99 WeakPolarHBondContact CD-OD2 3.49Å; P96-D99 HydrophobicContact CG-CB 4.42Å; P96-D99 PolarHBondContact O-N 3.19Å; D99-S103 PolarHBondContact O-N 3.44Å
100	V	61.6	Low	54.7	Low	11 Å²	11	81.6 Å²	81.6	7%	0.067	48%	0.477	C	S	.	.	H	α-helix	trans	-69.1	-45.7	176.2	-179.5	0	0	0	0	110.4	P58 W59 P96 L97 A102 S103 L104	P58-V100 HydrophobicContact CB-CG1 4.05Å; W59-V100 HydrophobicContact CE3-CG2 4.39Å; P96-V100 PolarHBondContact O-N 3.03Å; L97-V100 PolarHBondContact O-N 3.07Å; V100-A102 PolarHBondContact O-N 2.77Å; V100-S103 PolarHBondContact O-N 3.47Å; V100-S103 VanDerWaalsContact O-N 3.15Å; V100-S103 PolarHBondContact O-OG 3.33Å; V100-L104 HydrophobicContact CG1-CD1 4.26Å; V100-L104 WeakPolarHBondContact O-CG 3.44Å; V100-L104 PolarHBondContact O-N 3.16Å
101	L	60.7	Low	52.6	Low	81 Å²	81	87.6 Å²	87.6	42%	0.424	51%	0.514	S	S	.	.	H	α-helix	trans	-64.7	-37.6	176.1	-68.5	172.4	0	0	0	112.1	L97 E98 S103 L104 A105	L97-L101 HydrophobicContact CD1-CD1 4.2Å; L97-L101 HydrophobicContact CD1-CG 4.11Å; L97-L101 HydrophobicContact CG-CD1 3.92Å; L97-L101 HydrophobicContact CG-CG 4.29Å; L97-L101 WeakPolarHBondContact O-CG 3.38Å; L97-L101 PolarHBondContact O-N 2.84Å; E98-L101 PolarHBondContact O-N 2.89Å; L101-S103 VanDerWaalsContact C-N 3.29Å; L101-S103 PolarHBondContact O-N 3.11Å; L101-L104 HydrophobicContact CD2-CD1 4.45Å; L101-L104 PolarHBondContact O-N 3.11Å; L101-L104 VanDerWaalsContact O-N 3.11Å; L101-A105 PolarHBondContact O-N 3.48Å
102	A	58.5	Low	50.6	Low	71 Å²	71	89.7 Å²	89.7	59%	0.587	54%	0.538	S	S	*	.	H	α-helix	trans	-63.5	-34.3	172.6	0	0	0	0	0	112.3	E98 V100 L104	E98-A102 VanDerWaalsContact O-CB 3.27Å; E98-A102 WeakPolarHBondContact O-CB 3.23Å; E98-A102 PolarHBondContact O-N 2.65Å; V100-A102 PolarHBondContact O-N 2.77Å; A102-L104 PolarHBondContact O-N 3.45Å
103	S	57.7	Low	48.8	Very low	86 Å²	86	91.8 Å²	91.8	60%	0.601	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-9.3	174.1	75.3	0	0	0	0	114.7	D99 V100 L101	D99-S103 PolarHBondContact O-N 3.44Å; V100-S103 PolarHBondContact O-N 3.47Å; V100-S103 VanDerWaalsContact O-N 3.15Å; V100-S103 PolarHBondContact O-OG 3.33Å; L101-S103 VanDerWaalsContact C-N 3.29Å; L101-S103 PolarHBondContact O-N 3.11Å
104	L	50.1	Low	47.4	Very low	62 Å²	62	97.9 Å²	97.9	33%	0.325	57%	0.572	S	S	.	*	T	Hydrogen-bonded Turn	trans	-101.1	-8.5	179.9	-76.6	167.5	0	0	0	113.7	P58 V100 L101 A102 P106	P58-L104 HydrophobicContact CB-CD1 4.41Å; V100-L104 HydrophobicContact CG1-CD1 4.26Å; V100-L104 WeakPolarHBondContact O-CG 3.44Å; V100-L104 PolarHBondContact O-N 3.16Å; L101-L104 HydrophobicContact CD2-CD1 4.45Å; L101-L104 PolarHBondContact O-N 3.11Å; L101-L104 VanDerWaalsContact O-N 3.11Å; A102-L104 PolarHBondContact O-N 3.45Å; L104-P106 WeakPolarHBondContact O-CD 3.41Å
105	A	43.8	Very low	46.8	Very low	63 Å²	63	102.3 Å²	102.3	52%	0.521	57%	0.573	S	S	.	*	S	Bend	trans	-75	123	-179	0	0	0	0	0	111.5	L101 V107	L101-A105 PolarHBondContact O-N 3.48Å; A105-V107 PolarHBondContact O-N 2.69Å
106	P	40.9	Very low	45.6	Very low	129 Å²	129	102.7 Å²	102.7	84%	0.838	58%	0.579	S	S	*	*			trans	-64.6	132.7	173.5	-20.6	33.5	0	0	0	111.4	L104	L104-P106 WeakPolarHBondContact O-CD 3.41Å
107	V	36.7	Very low	44	Very low	133 Å²	133	108.3 Å²	108.3	81%	0.806	61%	0.608	S	S	*	*			trans	-98.2	107.9	173.3	179.1	0	0	0	0	109	A105 P109	A105-V107 PolarHBondContact O-N 2.69Å; V107-P109 WeakPolarHBondContact O-CD 3.39Å
108	D	34.5	Very low	42.3	Very low	158 Å²	158	112.5 Å²	112.5	85%	0.845	64%	0.643	S	S	*	*			trans	-69.1	127.1	172.5	-97.5	-39.6	0	0	0	111.2
109	P	43.9	Very low	40.5	Very low	108 Å²	108	117.3 Å²	117.3	70%	0.701	67%	0.67	S	S	*	*			trans	-98.2	118.7	-173.5	34.8	-32.4	0	0	0	114	V107	V107-P109 WeakPolarHBondContact O-CD 3.39Å
110	T	29	Very low	38.8	Very low	133 Å²	133	116.4 Å²	116.4	82%	0.816	68%	0.676	S	S	*	*			trans	-142.9	106.5	155.7	17.3	0	0	0	0	108.3
111	V	33.5	Very low	37.2	Very low	133 Å²	133	121.7 Å²	121.7	81%	0.806	71%	0.708	S	S	*	*				57.9	118.8	80	-179.1	0	0	0	0	112.4
112	G	29.8	Very low	35.7	Very low	59 Å²	59	125.8 Å²	125.8	61%	0.608	73%	0.725	S	S	*	*			cis	140	152.7	-8.3	0	0	0	0	0	114.5
113	N	31.3	Very low	34.3	Very low	151 Å²	151	129 Å²	129	81%	0.807	73%	0.733	S	S	*	*			trans	73.5	160.6	174.6	-50.7	-69.5	0	0	0	115.3
114	K	28.6	Very low	33.1	Very low	183 Å²	183	130.5 Å²	130.5	80%	0.796	74%	0.737	S	S	*	*			cis	-172.7	166	38	-143.2	151.5	-170.9	169	0	112.1
115	R	34.1	Very low	32.2	Very low	232 Å²	232	134.7 Å²	134.7	88%	0.875	76%	0.759	S	S	*	*			trans	83	152.6	159.9	-63	168.1	179.8	175.3	0.1	118.8
116	K	32.2	Very low	31.6	Very low	181 Å²	181	139.7 Å²	139.7	79%	0.787	77%	0.771	S	S	*	*			cis	-175.2	162.9	-22.3	-168.2	-176.7	177.8	-169.3	0	110.7
117	N	26.3	Very low	31	Very low	138 Å²	138	138.5 Å²	138.5	74%	0.738	77%	0.766	S	S	*	*			trans	110.4	123.6	165.1	-58.5	-12	0	0	0	113.8
118	A	26	Very low	30.9	Very low	90 Å²	90	136.5 Å²	136.5	74%	0.744	76%	0.756	S	S	*	*				84	141.7	77.2	0	0	0	0	0	112.8
119	L	26.8	Very low	30.5	Very low	164 Å²	164	136 Å²	136	86%	0.859	75%	0.753	S	S	*	*			cis	-162.2	161.4	17.8	-129.9	160.1	0	0	0	111.2
120	A	27.8	Very low	30	Very low	78 Å²	78	138.5 Å²	138.5	65%	0.645	75%	0.752	S	S	*	*			trans	68.3	129.4	149.3	0	0	0	0	0	125.3
121	V	29.2	Very low	30.2	Very low	122 Å²	122	142.9 Å²	142.9	74%	0.739	75%	0.754	S	S	*	*				69.3	121.8	128.9	176	0	0	0	0	122.7
122	E	28.9	Very low	30.2	Very low	168 Å²	168	143 Å²	143	79%	0.785	75%	0.746	S	S	*	*			trans	45	142.4	145.6	-69.5	169.4	-156.1	0	0	122.3
123	D	30.1	Very low	30.4	Very low	139 Å²	139	151 Å²	151	74%	0.743	76%	0.758	S	S	*	*			cis	-160.5	151.1	-13.4	-130.2	11.6	0	0	0	114
124	V	32.6	Very low	30.5	Very low	116 Å²	116	149.8 Å²	149.8	70%	0.703	75%	0.75	S	S	*	*			trans	34.2	150.7	157.4	-152.9	0	0	0	0	122.9
125	I	29.5	Very low	31	Very low	151 Å²	151	145.1 Å²	145.1	77%	0.774	74%	0.741	S	S	*	*			trans	80	123	169.4	-49.6	-173.4	0	0	0	114.5
126	E	31.1	Very low	31.2	Very low	168 Å²	168	141.8 Å²	141.8	79%	0.785	74%	0.735	S	S	*	*			cis	-155.1	167.8	-11	-130.3	-174.5	172.6	0	0	111.7
127	S	29	Very low	31.3	Very low	103 Å²	103	141.7 Å²	141.7	72%	0.72	74%	0.737	S	S	*	*			trans	-116.6	132	152.6	69.4	0	0	0	0	109.4
128	P	34.4	Very low	31.4	Very low	92 Å²	92	138.6 Å²	138.6	60%	0.597	74%	0.737	S	S	*	*				-142.4	148.7	127.4	29.8	-13.5	0	0	0	113	K130	P128-K130 WeakPolarHBondContact CB-O 3.36Å
129	L	26.7	Very low	31.5	Very low	148 Å²	148	141.6 Å²	141.6	78%	0.775	74%	0.741	S	S	*	*			cis	41.9	110.2	4.4	-93.5	-175.1	0	0	0	118.3
130	K	32.2	Very low	31.5	Very low	159 Å²	159	140.8 Å²	140.8	69%	0.691	74%	0.737	S	S	*	*			trans	70.2	148.9	171.1	-54.4	172.8	-177.1	174.4	0	111.2	P128	P128-K130 WeakPolarHBondContact CB-O 3.36Å
131	R	33.2	Very low	31.5	Very low	226 Å²	226	147.9 Å²	147.9	85%	0.853	75%	0.747	S	S	*	*			cis	-132.8	142.4	39.7	-74	177.7	177.1	145.4	2.3	111.8
132	Q	34.7	Very low	32	Very low	136 Å²	136	145.9 Å²	145.9	64%	0.636	74%	0.737	S	S	*	*			cis	68.3	106.9	43.9	-172.6	-160.8	13.8	0	0	112.8
133	R	33.6	Very low	31.9	Very low	227 Å²	227	146.5 Å²	146.5	86%	0.857	74%	0.739	S	S	*	*			trans	164.2	151.8	145.2	-94.8	-170.6	179.5	157	1.3	107.5
134	L	34.4	Very low	31.8	Very low	124 Å²	124	144.3 Å²	144.3	65%	0.649	74%	0.735	S	S	*	*			cis	-172.3	165.8	-22	-162.5	71.1	0	0	0	105.9
135	S	38.7	Very low	31.4	Very low	86 Å²	86	144.9 Å²	144.9	60%	0.601	74%	0.738	S	S	*	*			trans	57.3	140.6	144.9	54.2	0	0	0	0	119.5
136	E	37	Very low	31.2	Very low	161 Å²	161	142 Å²	142	75%	0.752	73%	0.732	S	S	*	*			cis	-157.6	-162.6	4.4	-132.9	141.3	-138.4	0	0	113
137	H	35.3	Very low	30.9	Very low	180 Å²	180	144 Å²	144	83%	0.833	73%	0.733	S	S	*	*			trans	-60.7	163	-170.9	-47.7	-36	0	0	0	115.4
138	G	28.2	Very low	30.9	Very low	72 Å²	72	144.9 Å²	144.9	74%	0.742	74%	0.735	S	S	*	*			cis	165.6	-154.5	-2.4	0	0	0	0	0	114
139	D	28.4	Very low	31.2	Very low	154 Å²	154	145.9 Å²	145.9	82%	0.824	74%	0.741	S	S	*	*			trans	75.1	129.2	165.2	-87.3	-22.1	0	0	0	124.2
140	L	27.2	Very low	31.3	Very low	146 Å²	146	145.4 Å²	145.4	76%	0.764	74%	0.744	S	S	*	*			trans	74	105.7	138.2	-66.5	171.6	0	0	0	124.5
141	R	26.3	Very low	31	Very low	227 Å²	227	142.9 Å²	142.9	86%	0.857	75%	0.746	S	S	*	*				82.8	171.2	126	-120.5	-157.3	166.6	-173.9	-4.4	118
142	P	40.8	Very low	30.7	Very low	81 Å²	81	137.5 Å²	137.5	53%	0.526	74%	0.743	S	S	.	*				-136.1	176.1	-95.6	45.2	-29.7	0	0	0	117.6
143	Q	27.6	Very low	30.3	Very low	180 Å²	180	138.2 Å²	138.2	84%	0.841	75%	0.751	S	S	*	*			trans	65.5	170.5	143.6	-86.2	165.5	-9.3	0	0	117
144	S	26.4	Very low	30.1	Very low	94 Å²	94	134.5 Å²	134.5	66%	0.657	74%	0.743	S	S	*	*			cis	-167	147.9	-10	40.1	0	0	0	0	112.8
145	V	25.4	Very low	29.9	Very low	127 Å²	127	135.3 Å²	135.3	77%	0.77	75%	0.748	S	S	*	*			trans	55.2	105.4	130.4	-175.2	0	0	0	0	121.3
146	S	24.5	Very low	29.3	Very low	91 Å²	91	137.1 Å²	137.1	64%	0.636	76%	0.759	S	S	*	*				89.2	162.1	128.5	81.3	0	0	0	0	125.5
147	Y	25.2	Very low	28.9	Very low	209 Å²	209	135.6 Å²	135.6	82%	0.82	77%	0.766	S	S	*	*			trans	49.5	113.5	158.3	-69.3	-71.1	0	0	0	119.6
148	V	29.2	Very low	28.6	Very low	123 Å²	123	135.1 Å²	135.1	75%	0.745	77%	0.769	S	S	*	*				48.2	131.2	73.5	-173.9	0	0	0	0	112.8
149	P	39.3	Very low	28.7	Very low	112 Å²	112	138.7 Å²	138.7	73%	0.727	77%	0.771	S	S	*	*			cis	-115.6	169.5	16.3	11.2	15.5	0	0	0	114
150	V	29.7	Very low	28.8	Very low	138 Å²	138	136.3 Å²	136.3	84%	0.836	77%	0.767	S	S	*	*				61.3	94	63.1	-169	0	0	0	0	116.1
151	S	25.5	Very low	28.9	Very low	106 Å²	106	135.2 Å²	135.2	74%	0.741	77%	0.766	S	S	*	*			trans	-171.7	120.9	133.2	61.3	0	0	0	0	114.1
152	S	27.2	Very low	29.3	Very low	114 Å²	114	131.4 Å²	131.4	80%	0.797	76%	0.761	S	S	*	*			trans	26.7	136.8	140.6	-46	0	0	0	0	124.5
153	L	26.6	Very low	29	Very low	150 Å²	150	135.3 Å²	135.3	79%	0.785	78%	0.777	S	S	*	*			trans	96.1	116.2	135.7	-128.4	71.1	0	0	0	121.9
154	E	28.5	Very low	29.2	Very low	150 Å²	150	130.1 Å²	130.1	70%	0.701	77%	0.773	S	S	*	*			trans	59.7	102.9	139.6	-73.7	179.9	140.5	0	0	124.6
155	N	30.1	Very low	29.6	Very low	140 Å²	140	134.1 Å²	134.1	75%	0.749	78%	0.781	S	S	*	*				79.2	145.6	111.5	-76.9	-14.8	0	0	0	124.5
156	C	26.3	Very low	30	Very low	124 Å²	124	137.7 Å²	137.7	84%	0.838	79%	0.786	S	S	*	*			trans	67.9	100.4	155.5	-67.9	0	0	0	0	119.6
157	S	30.3	Very low	30.1	Very low	129 Å²	129	136.8 Å²	136.8	90%	0.902	79%	0.791	S	S	*	*			trans	-78.6	144	153.7	-51.7	0	0	0	0	111.2
158	L	27	Very low	30.3	Very low	170 Å²	170	134.4 Å²	134.4	89%	0.89	79%	0.792	S	S	*	*			trans	-133.2	137	171.4	-131.1	177.1	0	0	0	108.7
159	N	30.4	Very low	31.4	Very low	147 Å²	147	132.9 Å²	132.9	79%	0.786	79%	0.785	S	S	*	*			trans	-105.2	121.3	-179.3	-95.5	-24.5	0	0	0	112.1
160	S	31.7	Very low	30.9	Very low	105 Å²	105	133.7 Å²	133.7	73%	0.734	78%	0.783	S	S	*	*			trans	74.1	145.6	143.3	-55.2	0	0	0	0	121.8
161	V	29.8	Very low	31	Very low	123 Å²	123	133.2 Å²	133.2	75%	0.745	78%	0.78	S	S	*	*			trans	95.5	86.4	157.2	-162	0	0	0	0	119.5
162	I	34.2	Very low	31	Very low	146 Å²	146	131.5 Å²	131.5	75%	0.749	78%	0.779	S	S	*	*			trans	82.8	114.8	138.2	-61.6	173.5	0	0	0	121.4
163	N	34.1	Very low	31.1	Very low	163 Å²	163	130.9 Å²	130.9	87%	0.872	78%	0.775	S	S	*	*			trans	42.3	136.4	147.1	-62	-8.5	0	0	0	123.3
164	G	31.1	Very low	31.2	Very low	72 Å²	72	131.3 Å²	131.3	74%	0.742	77%	0.773	S	S	*	*			trans	-156.6	-34.1	176.7	0	0	0	0	0	121.8
165	H	35.6	Very low	31.3	Very low	178 Å²	178	132 Å²	132	82%	0.824	78%	0.78	S	S	*	*			trans	66	138.2	176.6	-98.3	-79.2	0	0	0	121.4
166	K	33	Very low	31.2	Very low	202 Å²	202	128.2 Å²	128.2	88%	0.878	77%	0.774	S	S	*	*			trans	59.3	137.1	156.2	-64.9	-178.1	175.3	-177.5	0	119.6
167	G	27.5	Very low	31.3	Very low	72 Å²	72	130.5 Å²	130.5	74%	0.742	78%	0.778	S	S	*	*			cis	155	117	2.1	0	0	0	0	0	115.6
168	N	29	Very low	31.1	Very low	158 Å²	158	127.7 Å²	127.7	85%	0.845	77%	0.77	S	S	*	*			trans	74.7	176.8	142.5	-135.6	26.7	0	0	0	119.5
169	P	52.3	Low	31.2	Very low	91 Å²	91	130.2 Å²	130.2	59%	0.591	77%	0.769	S	S	*	*				-107.3	-160.2	-99.4	37.3	-19.5	0	0	0	113
170	N	30.1	Very low	31.1	Very low	129 Å²	129	131.4 Å²	131.4	69%	0.69	77%	0.769	S	S	*	*			cis	179.4	157.7	40.4	-148.2	17	0	0	0	113.9
171	T	29.8	Very low	31.1	Very low	128 Å²	128	133.7 Å²	133.7	79%	0.785	77%	0.766	S	S	*	*			trans	55.1	157.1	152.3	46.7	0	0	0	0	121.5
172	G	26.4	Very low	30.8	Very low	70 Å²	70	135.4 Å²	135.4	72%	0.722	77%	0.766	S	S	*	*			cis	165.9	164.4	-6.2	0	0	0	0	0	114
173	S	29.3	Very low	30.6	Very low	101 Å²	101	134 Å²	134	71%	0.706	77%	0.769	S	S	*	*			trans	52.9	122.1	158.9	-81.9	0	0	0	0	125.5
174	E	28.6	Very low	31.2	Very low	160 Å²	160	131.2 Å²	131.2	75%	0.748	76%	0.76	S	S	*	*				69.3	145.9	117.8	-65.9	171.8	106.9	0	0	126
175	I	31.8	Very low	31.1	Very low	163 Å²	163	134.2 Å²	134.2	84%	0.836	76%	0.759	S	S	*	*			trans	70.2	136.7	156.7	-64.4	150.6	0	0	0	117.5
176	G	27.5	Very low	30.7	Very low	61 Å²	61	134.6 Å²	134.6	63%	0.629	76%	0.759	S	S	*	*			cis	164.3	174.9	-7.9	0	0	0	0	0	114.2
177	N	28.2	Very low	30.7	Very low	172 Å²	172	133.3 Å²	133.3	92%	0.92	75%	0.753	S	S	*	*			trans	69	146.6	175.3	-55.2	-25.1	0	0	0	117.2
178	G	26.3	Very low	30.8	Very low	71 Å²	71	135.6 Å²	135.6	73%	0.732	75%	0.753	S	S	*	*			cis	-158.6	176.4	0.4	0	0	0	0	0	113.4
179	Y	29.5	Very low	30.9	Very low	222 Å²	222	132.4 Å²	132.4	87%	0.871	75%	0.749	S	S	*	*			trans	-113.8	179.7	-171	-81.4	-92.7	0	0	0	113.3
180	H	27.6	Very low	29.8	Very low	172 Å²	172	134 Å²	134	80%	0.796	75%	0.752	S	S	*	*			trans	82.5	154	165.9	-68.9	-102.2	0	0	0	118.3
181	K	30.4	Very low	29.8	Very low	154 Å²	154	137.8 Å²	137.8	67%	0.67	76%	0.757	S	S	*	*			cis	-174.1	167.9	-35.1	-149.6	-177.8	165.3	-155.1	0	109
182	E	24.5	Very low	29.8	Very low	158 Å²	158	137.6 Å²	137.6	74%	0.738	75%	0.751	S	S	*	*			trans	75.1	177	153.9	-84.8	154.3	-158.2	0	0	120.1
183	S	30.1	Very low	30	Very low	116 Å²	116	141.7 Å²	141.7	81%	0.811	76%	0.756	S	S	*	*			trans	-122.9	-157	-160.7	-135.1	0	0	0	0	109.7
184	P	45.7	Very low	30	Very low	105 Å²	105	140.3 Å²	140.3	68%	0.682	76%	0.758	S	S	*	*			cis	-141.8	-171.6	12.6	44.4	-23.1	0	0	0	117.8
185	D	29.8	Very low	30.1	Very low	136 Å²	136	141.6 Å²	141.6	73%	0.727	76%	0.764	S	S	*	*			trans	-11.1	146.7	159.8	-54.6	-66.8	0	0	0	122.3
186	F	27.4	Very low	30.2	Very low	186 Å²	186	139.3 Å²	139.3	82%	0.816	76%	0.757	S	S	*	*				-179.8	135.1	97.2	-112.8	-95.6	0	0	0	116.5
187	K	32.3	Very low	30.5	Very low	174 Å²	174	144.6 Å²	144.6	76%	0.757	77%	0.766	S	S	*	*			trans	-3.9	154.5	134.6	-105.7	175.8	-174.4	172.4	0	119.2
188	T	31.2	Very low	30.7	Very low	120 Å²	120	141.7 Å²	141.7	74%	0.736	75%	0.75	S	S	*	*			cis	-166.6	168.3	16.6	-25.5	0	0	0	0	111.9
189	A	30.8	Very low	31.1	Very low	92 Å²	92	147 Å²	147	76%	0.76	75%	0.748	S	S	*	*			trans	72	166.8	143.1	0	0	0	0	0	120.7
190	D	28.5	Very low	31.2	Very low	124 Å²	124	141.6 Å²	141.6	66%	0.663	73%	0.734	S	S	*	*			cis	179.7	156.3	-35.1	-164.4	12.2	0	0	0	108.4
191	W	29.9	Very low	31.2	Very low	209 Å²	209	140.4 Å²	140.4	79%	0.792	73%	0.734	S	S	*	*			trans	63.6	157.3	176.8	-53.9	87	0	0	0	117.8
192	D	30.3	Very low	31.7	Very low	123 Å²	123	138.1 Å²	138.1	66%	0.658	74%	0.735	S	S	*	*			cis	-167.8	-174.1	-33.4	-159.5	-1.4	0	0	0	108.9
193	D	31.1	Very low	31.9	Very low	157 Å²	157	135.1 Å²	135.1	84%	0.84	74%	0.737	S	S	*	*			trans	73.9	152.2	158	-96	-44.4	0	0	0	120.9
194	G	29.4	Very low	33.4	Very low	72 Å²	72	135.3 Å²	135.3	74%	0.742	74%	0.735	S	S	*	*			trans	137.8	60.7	161.4	0	0	0	0	0	118.9
195	E	29.2	Very low	33.5	Very low	187 Å²	187	135.8 Å²	135.8	87%	0.874	74%	0.739	S	S	*	*			trans	-66.7	159.8	153	-70.7	-170	116.2	0	0	111.1
196	V	34.4	Very low	33.2	Very low	114 Å²	114	133.5 Å²	133.5	69%	0.691	74%	0.739	S	S	*	*				163.7	124.8	120.9	155.7	0	0	0	0	112.4
197	Q	33.3	Very low	33	Very low	172 Å²	172	130 Å²	130	80%	0.804	74%	0.736	S	S	*	*			trans	49.8	131.6	151.8	-65.5	162.7	-9	0	0	120.2
198	D	33.8	Very low	32.8	Very low	112 Å²	112	127.2 Å²	127.2	60%	0.599	74%	0.739	S	S	*	*			cis	81.6	142.3	40.9	-164.2	32	0	0	0	113.6
199	R	33.6	Very low	32.5	Very low	182 Å²	182	126.8 Å²	126.8	69%	0.687	74%	0.741	S	S	*	*			trans	73.5	147	171.5	-49.3	-65.7	156.2	179.7	-10.3	118.9
200	D	31.2	Very low	32.2	Very low	108 Å²	108	127.8 Å²	127.8	58%	0.578	74%	0.742	S	S	*	*			cis	-166.4	145.6	-24.4	-111.2	-2.9	0	0	0	110.3
201	D	28.1	Very low	32.2	Very low	147 Å²	147	129.2 Å²	129.2	79%	0.786	76%	0.755	S	S	*	*			trans	56	-179.2	145	-91.1	-15.2	0	0	0	122.1
202	P	41.9	Very low	32	Very low	106 Å²	106	123 Å²	123	69%	0.688	76%	0.755	S	S	*	*			cis	-136.8	141.6	-44.2	34.9	-18.6	0	0	0	116.6
203	A	28.3	Very low	32.3	Very low	96 Å²	96	123.4 Å²	123.4	79%	0.793	77%	0.768	S	S	*	*			trans	60	-157.4	133.1	0	0	0	0	0	120.1
204	P	60.8	Low	32	Very low	119 Å²	119	120.6 Å²	120.6	77%	0.773	76%	0.761	S	S	*	*			trans	-129.4	-153.1	-130.6	41.5	-17.3	0	0	0	112.7
205	P	47.5	Very low	32.2	Very low	115 Å²	115	121.6 Å²	121.6	75%	0.747	76%	0.756	S	S	*	*			cis	-132.9	-160.7	-10.1	42.3	-22.5	0	0	0	114
206	A	24.3	Very low	32.4	Very low	88 Å²	88	119.6 Å²	119.6	73%	0.727	75%	0.751	S	S	*	*			trans	46.3	144.6	147.5	0	0	0	0	0	121.5
207	C	22.5	Very low	32.1	Very low	113 Å²	113	119.6 Å²	119.6	76%	0.764	75%	0.751	S	S	*	*			cis	-164	157.7	-2.7	-110.7	0	0	0	0	110.5
208	S	28.5	Very low	31.9	Very low	116 Å²	116	119.3 Å²	119.3	81%	0.811	76%	0.755	S	S	*	*			trans	29.8	98.1	152.7	-52.9	0	0	0	0	121.9
209	S	25.5	Very low	31.7	Very low	111 Å²	111	121.1 Å²	121.1	78%	0.776	76%	0.763	S	S	*	*			trans	-176.8	136.6	137.7	35.6	0	0	0	0	109.4
210	S	25	Very low	31.3	Very low	112 Å²	112	117.2 Å²	117.2	78%	0.783	77%	0.77	S	S	*	*			cis	101	69	25.4	80.6	0	0	0	0	115.3
211	V	27.7	Very low	31	Very low	155 Å²	155	116.5 Å²	116.5	94%	0.939	77%	0.772	S	S	*	*			trans	-147.5	140.4	156	-98.6	0	0	0	0	108.1
212	G	25.1	Very low	30.9	Very low	78 Å²	78	117.6 Å²	117.6	80%	0.804	78%	0.778	S	S	*	*			cis	154.2	74.6	-2.1	0	0	0	0	0	112
213	S	37.1	Very low	30.2	Very low	131 Å²	131	116.3 Å²	116.3	92%	0.916	79%	0.785	S	S	*	*			trans	-146.3	146.5	173.8	-165.3	0	0	0	0	109.5
214	S	25.9	Very low	30.1	Very low	99 Å²	99	116.4 Å²	116.4	69%	0.692	79%	0.785	S	S	*	*			trans	-139.2	152.6	-150.4	-179.4	0	0	0	0	114.1
215	S	32.8	Very low	28.5	Very low	92 Å²	92	119.4 Å²	119.4	64%	0.643	79%	0.789	S	S	*	*			trans	66	144.7	156.5	37.1	0	0	0	0	117.7
216	D	32.6	Very low	28.4	Very low	145 Å²	145	118.7 Å²	118.7	78%	0.775	78%	0.784	S	S	*	*			cis	-160	155.2	-11.3	-111.6	-21.7	0	0	0	113.5
217	V	29.8	Very low	29.5	Very low	114 Å²	114	119.4 Å²	119.4	69%	0.691	78%	0.782	S	S	*	*			trans	40.1	118.5	139.8	-179.5	0	0	0	0	119.7
218	L	27.9	Very low	29.7	Very low	167 Å²	167	119.3 Å²	119.3	87%	0.874	78%	0.782	S	S	*	*				-158.5	142.7	107.1	-107	-179.9	0	0	0	114.1
219	L	29.3	Very low	30.2	Very low	149 Å²	149	119.4 Å²	119.4	78%	0.78	78%	0.78	S	S	*	*			trans	-106.2	156.4	170.1	-96.1	157.4	0	0	0	109.4
220	A	26.6	Very low	30.4	Very low	101 Å²	101	119.3 Å²	119.3	84%	0.835	78%	0.78	S	S	*	*			trans	-141.2	121.5	157.5	0	0	0	0	0	109.9
221	C	23.5	Very low	31.2	Very low	92 Å²	92	119.9 Å²	119.9	62%	0.622	78%	0.78	S	S	*	*			trans	-124	174.6	173.6	-64.9	0	0	0	0	109.5
222	N	27.3	Very low	31.1	Very low	170 Å²	170	120.8 Å²	120.8	91%	0.909	77%	0.774	S	S	*	*			trans	86.4	133.4	164.1	-45.7	-32.5	0	0	0	116.8
223	G	25.8	Very low	31.2	Very low	80 Å²	80	124.6 Å²	124.6	83%	0.825	78%	0.775	S	S	*	*			trans	161.5	90.5	177.2	0	0	0	0	0	111.7
224	A	27.8	Very low	30.6	Very low	97 Å²	97	124.1 Å²	124.1	80%	0.802	77%	0.766	S	S	*	*			trans	-81.8	176.6	175	0	0	0	0	0	110.9
225	E	26.8	Very low	30.7	Very low	182 Å²	182	128.8 Å²	128.8	85%	0.85	77%	0.77	S	S	*	*			cis	-151.7	-174.7	21.5	-114.7	-145.3	104.1	0	0	111.4
226	P	45.3	Very low	30.9	Very low	100 Å²	100	130.6 Å²	130.6	65%	0.649	78%	0.78	S	S	*	*			trans	-109.3	-139.5	-164.4	46.7	-38.9	0	0	0	112.6
227	P	47.2	Very low	30.6	Very low	104 Å²	104	130.5 Å²	130.5	68%	0.675	78%	0.779	S	S	*	*			cis	-135.4	157.6	-25.7	37.9	-20.9	0	0	0	117.2
228	S	25.4	Very low	30.7	Very low	110 Å²	110	129.1 Å²	129.1	77%	0.769	78%	0.78	S	S	*	*			trans	49.2	-169.4	142.1	81.6	0	0	0	0	120.5
229	P	39	Very low	30.8	Very low	118 Å²	118	124.7 Å²	124.7	77%	0.766	77%	0.767	S	S	*	*			cis	-124.9	-177.4	-30.8	36.9	-20.3	0	0	0	114.3
230	S	30.2	Very low	30.9	Very low	110 Å²	110	126.1 Å²	126.1	77%	0.769	77%	0.767	S	S	*	*			trans	-69.9	169.9	165.3	-36.1	0	0	0	0	112.7
231	P	42.4	Very low	31	Very low	123 Å²	123	130.1 Å²	130.1	80%	0.799	77%	0.768	S	S	*	*				-157.6	-164.7	81.4	43.5	-21.9	0	0	0	117.2
232	H	25.8	Very low	31.2	Very low	174 Å²	174	132 Å²	132	81%	0.806	77%	0.772	S	S	*	*			trans	-64	161.3	179.3	-58.3	-109.5	0	0	0	116.6
233	L	26.3	Very low	31.1	Very low	159 Å²	159	131 Å²	131	83%	0.832	77%	0.767	S	S	*	*				161.5	122.1	118.6	-83	174.3	0	0	0	110.1
234	V	24	Very low	31.3	Very low	120 Å²	120	133.8 Å²	133.8	73%	0.727	77%	0.768	S	S	*	*				71	122.3	91.5	172.1	0	0	0	0	115.5
235	Y	30	Very low	32.7	Very low	198 Å²	198	134.6 Å²	134.6	78%	0.776	77%	0.765	S	S	*	*			trans	21.3	147.2	156.9	-83.7	-87.7	0	0	0	121.8	D237	Y235-D237 HydrophobicContact CD1-CB 4.21Å
236	P	35.4	Very low	33.6	Very low	130 Å²	130	130.9 Å²	130.9	84%	0.844	76%	0.756	S	S	*	*				-123.3	162	105.4	36.6	-34.8	0	0	0	114.4
237	D	26.8	Very low	32.8	Very low	142 Å²	142	132.9 Å²	132.9	76%	0.759	76%	0.761	S	S	*	*			trans	-127.4	162.1	-177.6	-179.9	27.8	0	0	0	110.6	Y235	Y235-D237 HydrophobicContact CD1-CB 4.21Å
238	A	31.3	Very low	31.8	Very low	85 Å²	85	134.4 Å²	134.4	70%	0.702	76%	0.763	S	S	*	*			trans	67.3	167.3	172.7	0	0	0	0	0	116.2
239	A	29.9	Very low	31.8	Very low	74 Å²	74	135.5 Å²	135.5	61%	0.612	77%	0.766	S	S	*	*			cis	-156.6	148.3	9	0	0	0	0	0	114.9
240	K	32	Very low	31.2	Very low	180 Å²	180	135.3 Å²	135.3	78%	0.783	77%	0.766	S	S	*	*			trans	54.6	127.4	139.7	-61.5	163.3	-176.9	172.7	0	121.7
241	Q	29.2	Very low	31.1	Very low	184 Å²	184	136.2 Å²	136.2	86%	0.86	77%	0.772	S	S	*	*				161.1	156	116.4	-89.5	166.9	87.2	0	0	109.7
242	N	26.8	Very low	30.6	Very low	131 Å²	131	141.3 Å²	141.3	70%	0.701	78%	0.775	S	S	*	*			cis	173.3	145.8	-32.1	-113	6.9	0	0	0	105.7
243	N	25.9	Very low	30.7	Very low	151 Å²	151	137.4 Å²	137.4	81%	0.807	77%	0.768	S	S	*	*			trans	75.9	123.3	159.1	-55.5	-17.8	0	0	0	121.6
244	V	30.4	Very low	30.8	Very low	138 Å²	138	136 Å²	136	84%	0.836	77%	0.766	S	S	*	*			trans	-104.1	-171.8	159.8	-111.5	0	0	0	0	108.4
245	P	56.3	Low	30.9	Very low	114 Å²	114	135.1 Å²	135.1	74%	0.74	77%	0.765	S	S	*	*			cis	-118.1	-125.7	-2.2	23.2	5	0	0	0	109.1
246	P	46.6	Very low	30.9	Very low	103 Å²	103	131.2 Å²	131.2	67%	0.669	77%	0.767	S	S	*	*			cis	-146	-174.3	-15.3	47.3	-28.3	0	0	0	118.5
247	L	27.1	Very low	31.1	Very low	142 Å²	142	131 Å²	131	74%	0.743	77%	0.766	S	S	*	*			trans	75.1	108.1	151.6	-73.5	168.4	0	0	0	123.3
248	N	27.1	Very low	31.3	Very low	136 Å²	136	128.7 Å²	128.7	73%	0.727	77%	0.766	S	S	*	*			trans	70.1	148.8	136.3	-64.2	-1.9	0	0	0	120
249	T	25.5	Very low	31.1	Very low	134 Å²	134	132.5 Å²	132.5	82%	0.822	77%	0.773	S	S	*	*			cis	-143.4	159.8	29.2	-50.7	0	0	0	0	113.4
250	C	26.4	Very low	31.1	Very low	113 Å²	113	139.6 Å²	139.6	76%	0.764	79%	0.785	S	S	*	*			trans	-97.5	161.8	-173.4	-59.5	0	0	0	0	116.5
251	S	27.6	Very low	31.5	Very low	129 Å²	129	136.8 Å²	136.8	90%	0.902	79%	0.786	S	S	*	*			trans	-154.4	169.3	148.1	-83.3	0	0	0	0	110.6
252	R	31.3	Very low	31.5	Very low	230 Å²	230	135.6 Å²	135.6	87%	0.868	79%	0.785	S	S	*	*			trans	-150.1	146.4	-136.2	-167.5	-162.2	-176.8	-166.8	1.1	115.7
253	S	29.6	Very low	31.8	Very low	92 Å²	92	140 Å²	140	64%	0.643	79%	0.794	S	S	*	*			trans	67.5	152.3	156.5	37.8	0	0	0	0	118.6
254	T	26.7	Very low	32	Very low	130 Å²	130	140.3 Å²	140.3	80%	0.798	79%	0.793	S	S	*	*			cis	-163	156.9	3.3	6.3	0	0	0	0	114.6
255	S	27.2	Very low	31.9	Very low	101 Å²	101	143.5 Å²	143.5	71%	0.706	80%	0.796	S	S	*	*			trans	60.4	111.9	144.5	64.4	0	0	0	0	125.6
256	S	28.9	Very low	30.3	Very low	117 Å²	117	144.3 Å²	144.3	82%	0.818	80%	0.799	S	S	*	*				34.6	161.3	114.3	-62.7	0	0	0	0	124.6
257	P	41.7	Very low	29.3	Very low	126 Å²	126	144.7 Å²	144.7	82%	0.818	80%	0.804	S	S	*	*			cis	-143.5	-176.7	-29	40.1	-20.3	0	0	0	117.2
258	A	29.2	Very low	29.3	Very low	92 Å²	92	143.2 Å²	143.2	76%	0.76	81%	0.806	S	S	*	*			trans	-29.5	167.5	171.9	0	0	0	0	0	124.2
259	I	28	Very low	30.1	Very low	166 Å²	166	142.5 Å²	142.5	85%	0.851	81%	0.808	S	S	*	*			trans	-157.4	143.4	142.3	-102	156	0	0	0	110.9
260	Y	29.9	Very low	30	Very low	222 Å²	222	143 Å²	143	87%	0.871	81%	0.805	S	S	*	*			trans	-116.8	153	168.4	-106.4	-97.6	0	0	0	109.4
261	P	41.2	Very low	29.8	Very low	122 Å²	122	143.7 Å²	143.7	79%	0.792	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-93.9	138.8	173.5	35	-31.6	0	0	0	113.2
262	D	28.1	Very low	29.7	Very low	158 Å²	158	144.2 Å²	144.2	85%	0.845	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-94.8	166.8	-171.7	-120.6	-43.7	0	0	0	115.3
263	Y	32.3	Very low	29.4	Very low	225 Å²	225	141.4 Å²	141.4	88%	0.882	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-74.2	148.7	168.4	-95.5	-103.2	0	0	0	112
264	I	31.1	Very low	29.6	Very low	157 Å²	157	142.2 Å²	142.2	81%	0.805	80%	0.803	S	S	*	*			trans	-126.2	140.3	167.1	-65.5	-177.4	0	0	0	110.8
265	K	27.4	Very low	29.5	Very low	204 Å²	204	141.9 Å²	141.9	89%	0.887	80%	0.8	S	S	*	*			trans	-137.3	144.9	-177.6	-173.1	178.9	-176.4	-179.5	0	108.6
266	T	22.6	Very low	29.3	Very low	132 Å²	132	144 Å²	144	81%	0.81	81%	0.809	S	S	*	*			trans	-152.5	141.2	178	-40.1	0	0	0	0	111.2
267	S	26.9	Very low	29.3	Very low	111 Å²	111	147.2 Å²	147.2	78%	0.776	81%	0.809	S	S	*	*			trans	-80	-172	-175.1	-42.7	0	0	0	0	112.4
268	S	26	Very low	28.5	Very low	111 Å²	111	150.7 Å²	150.7	78%	0.776	81%	0.814	S	S	*	*			cis	-161	-170.7	21.1	-125.6	0	0	0	0	108.9
269	P	43.5	Very low	28.3	Very low	120 Å²	120	150.8 Å²	150.8	78%	0.779	81%	0.809	S	S	*	*			cis	-138.9	-141.9	20.7	45.9	-24.8	0	0	0	115.3
270	L	23.3	Very low	28.3	Very low	144 Å²	144	151.4 Å²	151.4	75%	0.754	81%	0.813	S	S	*	*			trans	-69.9	151.9	-175.4	-97.1	60	0	0	0	117.8
271	C	22.9	Very low	28.1	Very low	129 Å²	129	150.1 Å²	150.1	87%	0.872	82%	0.815	S	S	*	*				-152.2	163.5	115.6	-104	0	0	0	0	110.3
272	N	25.7	Very low	27.5	Very low	140 Å²	140	149.2 Å²	149.2	75%	0.749	82%	0.818	S	S	*	*			trans	-88	175.4	-175.1	-45	-36.7	0	0	0	110.8
273	E	25	Very low	27.4	Very low	170 Å²	170	149.3 Å²	149.3	79%	0.794	82%	0.818	S	S	*	*			cis	-161.7	-159	15.9	-150.4	-168	162.8	0	0	109.3
274	P	34.4	Very low	27.4	Very low	110 Å²	110	144.7 Å²	144.7	71%	0.714	81%	0.813	S	S	*	*				-91.4	175.2	-87	21.7	-1.4	0	0	0	115.2
275	T	23.9	Very low	27.4	Very low	122 Å²	122	143 Å²	143	75%	0.748	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-103.8	137.9	178.4	-46.3	0	0	0	0	112.5	K277	T275-K277 HydrophobicContact CG2-CG 4.11Å
276	T	23.7	Very low	27.9	Very low	145 Å²	145	139 Å²	139	89%	0.89	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-98.9	126.6	151.9	8	0	0	0	0	109.3
277	K	28	Very low	28.1	Very low	185 Å²	185	139.2 Å²	139.2	80%	0.804	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-101.2	149.6	175.8	-56.6	176.3	-177.7	179.3	0	109.2	T275	T275-K277 HydrophobicContact CG2-CG 4.11Å
278	E	24.3	Very low	28.6	Very low	199 Å²	199	144.6 Å²	144.6	93%	0.93	82%	0.819	S	S	*	*			trans	-138.3	151.6	141.4	-162.3	151.3	-134.7	0	0	108.7
279	S	25.7	Very low	28.9	Very low	94 Å²	94	146.4 Å²	146.4	66%	0.657	82%	0.82	S	S	*	*			trans	-145	141.7	-159.7	53.3	0	0	0	0	111.4
280	L	27.8	Very low	28.5	Very low	180 Å²	180	147.5 Å²	147.5	94%	0.942	82%	0.824	S	S	*	*			trans	-133.2	127.2	156.9	-73.5	176.9	0	0	0	109.4
281	E	26.3	Very low	29.1	Very low	195 Å²	195	148.5 Å²	148.5	91%	0.911	83%	0.83	S	S	*	*			trans	-101.2	139.2	171.4	-64.3	-179.6	125.1	0	0	109.6
282	A	27.9	Very low	29.5	Very low	102 Å²	102	145.7 Å²	145.7	84%	0.843	82%	0.823	S	S	*	*			trans	-179.5	138.6	157.5	0	0	0	0	0	107.6
283	D	26.7	Very low	30.1	Very low	161 Å²	161	149.5 Å²	149.5	86%	0.861	83%	0.833	S	S	*	*			cis	-152.1	166.8	-12.7	-157.4	-14.7	0	0	0	108
284	V	33.2	Very low	30.4	Very low	128 Å²	128	152.2 Å²	152.2	78%	0.776	84%	0.836	S	S	*	*			trans	-118.1	122.2	-174.2	178.5	0	0	0	0	112.2
285	S	29.5	Very low	30.5	Very low	120 Å²	120	152.2 Å²	152.2	84%	0.839	84%	0.839	S	S	*	*			trans	-155.8	154.1	155.6	-87	0	0	0	0	112.9
286	P	39	Very low	30.9	Very low	121 Å²	121	155.7 Å²	155.7	79%	0.786	85%	0.847	S	S	*	*			trans	-115.3	149.6	-158.5	39.1	-28.1	0	0	0	115.1
287	C	27.1	Very low	31.5	Very low	137 Å²	137	152.4 Å²	152.4	93%	0.926	83%	0.83	S	S	*	*			trans	-135.3	147.4	162.3	-85.8	0	0	0	0	110.5
288	R	36.2	Very low	32.2	Very low	223 Å²	223	154.9 Å²	154.9	84%	0.842	83%	0.834	S	S	*	*			trans	-101	144.1	174.8	-79.7	-177.9	172.9	167.7	-4.3	111.6
289	D	32.4	Very low	33.2	Very low	149 Å²	149	151.8 Å²	151.8	80%	0.797	82%	0.824	S	S	*	*			trans	28.1	100.9	141.4	-45.4	-42.4	0	0	0	118.7
290	V	35.4	Very low	34.2	Very low	143 Å²	143	152.7 Å²	152.7	87%	0.867	83%	0.83	S	S	*	*			trans	-133.9	129.9	144.7	-178.5	0	0	0	0	108.1	G292	V290-G292 PolarHBondContact O-N 3.07Å
291	N	36.9	Very low	35.3	Very low	165 Å²	165	150.7 Å²	150.7	88%	0.882	82%	0.819	S	S	*	*			trans	-63.2	122.4	179.2	-81.2	-26.2	0	0	0	111.7
292	G	30	Very low	37	Very low	70 Å²	70	145.6 Å²	145.6	72%	0.722	80%	0.798	S	S	*	*			trans	-134.7	107.4	165.9	0	0	0	0	0	109.9	V290 R294	V290-G292 PolarHBondContact O-N 3.07Å; G292-R294 PolarHBondContact O-N 3.39Å
293	F	37.8	Very low	39.7	Very low	220 Å²	220	148.2 Å²	148.2	97%	0.965	79%	0.791	S	S	*	*			trans	-65.4	103	171.4	-83.2	-89.7	0	0	0	109.4
294	R	33.2	Very low	42.6	Very low	227 Å²	227	144 Å²	144	86%	0.857	77%	0.765	S	S	*	*			trans	-122.7	119.9	161.2	-157.4	174.4	-160.8	-122.9	2.5	106.5	G292 E296	G292-R294 PolarHBondContact O-N 3.39Å; R294-E296 PolarHBondContact O-N 3.05Å
295	S	34.9	Very low	45.2	Very low	111 Å²	111	139.7 Å²	139.7	78%	0.776	74%	0.739	S	S	*	*			trans	-52.3	132.4	173.7	-49.8	0	0	0	0	109	S297	S295-S297 PolarHBondContact O-N 2.95Å
296	E	32.7	Very low	47.9	Very low	194 Å²	194	137.1 Å²	137.1	91%	0.907	72%	0.721	S	S	*	*			trans	-56.5	112.9	163.3	-67.1	-177	132.7	0	0	106.6	R294	R294-E296 PolarHBondContact O-N 3.05Å
297	S	36.2	Very low	50	Low	76 Å²	76	132.5 Å²	132.5	53%	0.531	69%	0.691	S	S	.	*			trans	-70.6	148.6	-177.1	59.8	0	0	0	0	109.2	S295 D299	S295-S297 PolarHBondContact O-N 2.95Å; S297-D299 WeakPolarHBondContact CB-OD2 3.41Å; S297-D299 PolarHBondContact O-N 2.88Å; S297-D299 VanDerWaalsContact OG-CG 3.27Å; S297-D299 PolarHBondContact OG-OD2 3.22Å
298	R	43.3	Very low	52.5	Low	238 Å²	238	128 Å²	128	90%	0.898	66%	0.659	S	S	*	*			trans	-80.6	29.1	-168.2	-153.9	170.6	176.8	-174.3	-3	111.7	S300	R298-S300 PolarHBondContact O-N 3.33Å; R298-S300 VanDerWaalsContact O-N 3.11Å
299	D	44.7	Very low	54.2	Low	134 Å²	134	125.5 Å²	125.5	72%	0.717	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.6	57.2	-157.2	-55.7	-16.8	0	0	0	111.1	S297	S297-D299 WeakPolarHBondContact CB-OD2 3.41Å; S297-D299 PolarHBondContact O-N 2.88Å; S297-D299 VanDerWaalsContact OG-CG 3.27Å; S297-D299 PolarHBondContact OG-OD2 3.22Å
300	S	47.9	Very low	56.3	Low	113 Å²	113	120.5 Å²	120.5	79%	0.79	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-139.6	9.4	176.9	-164.5	0	0	0	0	112.8	R298	R298-S300 PolarHBondContact O-N 3.33Å; R298-S300 VanDerWaalsContact O-N 3.11Å
301	L	49.6	Very low	58.5	Low	137 Å²	137	114.2 Å²	114.2	72%	0.717	59%	0.588	S	S	*	*	S	Bend	trans	-82.2	-38.9	-170.9	-156.9	66.2	0	0	0	113.2	K303	L301-K303 PolarHBondContact O-N 3.15Å
302	D	61.7	Low	60.5	Low	88 Å²	88	107.2 Å²	107.2	47%	0.471	55%	0.55	S	S	.	*			trans	-102.2	64.4	-175.1	-64.5	-56.4	0	0	0	112.6	F304 H380	D302-F304 HydrophobicContact CB-CE2 4.09Å; D302-F304 WeakPolarHBondContact O-CD2 3.24Å; D302-F304 PolarHBondContact O-N 3Å; D302-F304 VanDerWaalsContact O-N 3.09Å; D302-H380 IonicContact OD1-CE1 2.89Å; D302-H380 PolarHBondContact OD1-CE1 3.29Å; D302-H380 IonicContact OD1-ND1 3.86Å; D302-H380 PolarHBondContact OD1-ND1 2.89Å
303	K	85.7	Confident	63.3	Low	157 Å²	157	104.5 Å²	104.5	68%	0.683	52%	0.518	S	S	*	.			trans	-68	105	160.2	-177.3	174.6	-179.2	176.2	0	108.7	L301 S379	L301-K303 PolarHBondContact O-N 3.15Å; K303-S379 WeakPolarHBondContact O-CB 3.36Å; K303-S379 PolarHBondContact O-N 3.02Å
304	F	86.9	Confident	65.4	Low	74 Å²	74	101.3 Å²	101.3	33%	0.325	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	141.9	171.1	-76.5	-95.1	0	0	0	111.3	D302 Q368 R376 V377 P378	D302-F304 HydrophobicContact CB-CE2 4.09Å; D302-F304 WeakPolarHBondContact O-CD2 3.24Å; D302-F304 PolarHBondContact O-N 3Å; D302-F304 VanDerWaalsContact O-N 3.09Å; F304-Q368 HydrophobicContact CE1-CB 4.47Å; F304-Q368 HydrophobicContact CE1-CG 4.17Å; F304-R376 HydrophobicContact CB-CB 4.29Å; F304-R376 HydrophobicContact CD1-CB 4.3Å; F304-V377 CarbonylContact C-O 3.56Å; F304-V377 WeakPolarHBondContact CA-O 3.49Å; F304-P378 HydrophobicContact CE1-CG 3.87Å; F304-P378 HydrophobicContact CZ-CG 4.04Å
305	V	88.4	Confident	67.6	Low	36 Å²	36	92.9 Å²	92.9	22%	0.218	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	143.6	179.1	-66.2	0	0	0	0	109.6	V307 R376 V377 L382	V305-V307 PolarHBondContact O-N 3.23Å; V305-R376 CarbonylContact O-C 3.5Å; V305-R376 WeakPolarHBondContact O-CA 3.18Å; V305-R376 WeakPolarHBondContact O-CB 3.2Å; V305-V377 HydrophobicContact CG2-CG2 4.19Å; V305-V377 PolarHBondContact N-O 3.18Å; V305-V377 PolarHBondContact O-N 3.09Å; V305-L382 HydrophobicContact CG2-CB 4.18Å; V305-L382 HydrophobicContact CG2-CD2 3.72Å
306	S	86.3	Confident	69.9	Low	67 Å²	67	89.6 Å²	89.6	47%	0.469	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	134.6	177.9	-50.8	0	0	0	0	111.3	P308 P375	S306-P308 WeakPolarHBondContact O-CD 3.41Å; S306-P375 CarbonylContact C-O 3.54Å; S306-P375 WeakPolarHBondContact CA-O 3.27Å
307	V	82.8	Confident	72.4	Confident	24 Å²	24	83.7 Å²	83.7	15%	0.145	42%	0.424	C	S	.	.	P	Polyproline II helix	trans	-70.2	124.6	173.9	-178.8	0	0	0	0	108.6	V305 V363 Q367 P375 V377	V305-V307 PolarHBondContact O-N 3.23Å; V307-V363 HydrophobicContact CG1-CG1 3.89Å; V307-V363 HydrophobicContact CG2-CG1 4.35Å; V307-Q367 HydrophobicContact CG2-CG 4.15Å; V307-P375 HydrophobicContact CB-CB 4.21Å; V307-P375 HydrophobicContact CB-CG 4.25Å; V307-P375 HydrophobicContact CG2-CB 4.25Å; V307-P375 PolarHBondContact N-O 3.46Å; V307-V377 HydrophobicContact CG2-CB 4.2Å; V307-V377 HydrophobicContact CG2-CG1 3.52Å; V307-V377 HydrophobicContact CG2-CG2 3.9Å
308	P	79.3	Confident	74.9	Confident	41 Å²	41	84 Å²	84	27%	0.266	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-60.6	137.5	169.5	-21.7	34.3	0	0	0	110.1	S306 Q310 L382	S306-P308 WeakPolarHBondContact O-CD 3.41Å; P308-Q310 WeakPolarHBondContact CB-O 3.44Å; P308-Q310 PolarHBondContact O-N 3.18Å; P308-L382 HydrophobicContact CG-CD1 4.37Å; P308-L382 HydrophobicContact CG-CD2 4.44Å
309	K	72.2	Confident	77.3	Confident	171 Å²	171	72.6 Å²	72.6	74%	0.743	38%	0.376	S	S	*	.	S	Bend	trans	-48	-33.7	179.2	-70.9	-171.3	-178	-176.4	0	113.2	T562	K309-T562 PolarHBondContact NZ-OG1 3.28Å
310	Q	76.1	Confident	79.7	Confident	45 Å²	45	66.6 Å²	66.6	21%	0.21	35%	0.345	C	S	.	.	S	Bend	trans	-142.6	146	169.3	-161.3	128.7	9.7	0	0	109.2	P308 N331 L551 Y553	P308-Q310 WeakPolarHBondContact CB-O 3.44Å; P308-Q310 PolarHBondContact O-N 3.18Å; Q310-N331 PolarHBondContact NE2-OD1 3.3Å; Q310-L551 HydrophobicContact CB-CD2 4.45Å; Q310-Y553 HydrophobicContact CG-CE1 4.2Å; Q310-Y553 PolarHBondContact NE2-OH 3.48Å; Q310-Y553 VanDerWaalsContact NE2-OH 3.15Å; Q310-Y553 PolarHBondContact OE1-OH 2.91Å
311	L	82.2	Confident	82	Confident	10 Å²	10	61.3 Å²	61.3	5%	0.052	31%	0.307	C	S	.	.			trans	-76	131.3	177.4	-57.4	175	0	0	0	109.9	I359 V363 L382 A385 L389	L311-I359 HydrophobicContact CD1-CG2 3.86Å; L311-V363 HydrophobicContact CD1-CG2 4.05Å; L311-V363 HydrophobicContact CD2-CG2 4.47Å; L311-L382 HydrophobicContact CD2-CD1 3.82Å; L311-A385 HydrophobicContact CD1-CB 4.36Å; L311-L389 HydrophobicContact CB-CD1 3.68Å; L311-L389 HydrophobicContact CD1-CD1 4.37Å
312	L	78.6	Confident	84.2	Confident	18 Å²	18	54.8 Å²	54.8	9%	0.094	27%	0.273	C	S	.	.			trans	-106.2	139.4	-178.2	-79.3	172.8	0	0	0	111.9	Y553 C560	L312-Y553 HydrophobicContact CD2-CD1 3.66Å; L312-Y553 HydrophobicContact CD2-CE1 4.41Å; L312-Y553 HydrophobicContact CD2-CG 4.32Å; L312-C560 VanDerWaalsContact CD2-SG 3.55Å; L312-C560 VanDerWaalsContact CG-SG 3.53Å
313	W	88.4	Confident	85.8	Confident	13 Å²	13	51 Å²	51	5%	0.049	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-69.4	131.1	152.5	-68.3	-80.5	0	0	0	109.1	D323 L326 V330 L352 H356 L389	W313-D323 HydrophobicContact CB-CB 4.13Å; W313-D323 WeakPolarHBondContact CB-OD1 3.24Å; W313-L326 HydrophobicContact CD2-CB 4.38Å; W313-L326 HydrophobicContact CD2-CD1 4.36Å; W313-L326 HydrophobicContact CE3-CB 4.05Å; W313-L326 HydrophobicContact CH2-CB 3.67Å; W313-L326 HydrophobicContact CZ2-CB 4Å; W313-L326 HydrophobicContact CZ2-CD1 4.05Å; W313-L326 HydrophobicContact CZ3-CB 3.69Å; W313-V330 HydrophobicContact CH2-CG1 3.94Å; W313-V330 HydrophobicContact CH2-CG2 4.01Å; W313-V330 HydrophobicContact CZ3-CG2 4.15Å; W313-L352 HydrophobicContact CZ2-CD1 4.5Å; W313-H356 AromaticContact CH2-CD2 3.71Å; W313-L389 HydrophobicContact CH2-CD2 4.42Å; W313-L389 HydrophobicContact CZ2-CD2 3.71Å; W313-L389 PolarHBondContact NE1-O 2.92Å
314	R	83.3	Confident	86.3	Confident	154 Å²	154	43.7 Å²	43.7	58%	0.581	22%	0.221	S	C	*	.	P	Polyproline II helix	trans	-92.4	140.8	179.2	-58.1	-175	-172.8	-176.4	4.2	110.6	S316 H386 R393	R314-S316 PolarHBondContact O-N 3.5Å; R314-S316 PolarHBondContact O-OG 3.37Å; R314-H386 PolarHBondContact NE-CD2 2.91Å; R314-H386 PolarHBondContact NE-NE2 3.15Å; R314-H386 VanDerWaalsContact NE-NE2 3.15Å; R314-H386 PolarHBondContact NH2-CD2 2.9Å; R314-H386 VanDerWaalsContact NH2-CD2 3.34Å; R314-H386 PolarHBondContact NH2-CE1 3.06Å; R314-H386 VanDerWaalsContact NH2-CE1 3.33Å; R314-H386 PolarHBondContact NH2-NE2 3.39Å; R314-R393 PolarHBondContact O-NH1 2.89Å
315	N	78.9	Confident	86.8	Confident	49 Å²	49	40.1 Å²	40.1	26%	0.262	21%	0.206	S	C	.	.	P	Polyproline II helix	trans	-55.8	119.8	177.3	-160	-49.3	0	0	0	110	D555 L556	N315-D555 VanDerWaalsContact CA-OD2 3.25Å; N315-D555 WeakPolarHBondContact CA-OD2 3.47Å; N315-D555 HydrophobicContact CB-CB 4.12Å; N315-D555 WeakPolarHBondContact CB-O 3.39Å; N315-D555 VanDerWaalsContact CB-OD1 3.28Å; N315-D555 WeakPolarHBondContact CB-OD1 3.39Å; N315-D555 VanDerWaalsContact CB-OD2 3.32Å; N315-D555 WeakPolarHBondContact CB-OD2 3.38Å; N315-D555 VanDerWaalsContact CG-OD2 3.27Å; N315-D555 PolarHBondContact N-O 2.97Å; N315-D555 VanDerWaalsContact ND2-CG 3.29Å; N315-D555 PolarHBondContact ND2-OD1 3.05Å; N315-D555 PolarHBondContact ND2-OD2 2.86Å; N315-D555 VanDerWaalsContact ND2-OD2 3.16Å; N315-L556 HydrophobicContact CB-CD2 3.86Å; N315-L556 WeakPolarHBondContact ND2-CD2 3.44Å
316	S	82.9	Confident	87.2	Confident	43 Å²	43	38.4 Å²	38.4	30%	0.301	20%	0.196	S	C	.	.			trans	-162	138.4	174.5	33.6	0	0	0	0	108.9	R314 N318 R393	R314-S316 PolarHBondContact O-N 3.5Å; R314-S316 PolarHBondContact O-OG 3.37Å; S316-N318 PolarHBondContact O-N 3.35Å; S316-R393 PolarHBondContact OG-NH2 3.33Å
317	N	85.6	Confident	87.6	Confident	70 Å²	70	35.3 Å²	35.3	37%	0.374	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	26.7	-174.1	-35.8	-78.8	0	0	0	114.3	L319 L408 G409	N317-L319 VanDerWaalsContact C-N 3.26Å; N317-L319 HydrophobicContact CB-CD1 4.33Å; N317-L319 HydrophobicContact CB-CG 4.2Å; N317-L319 PolarHBondContact O-N 2.89Å; N317-L408 HydrophobicContact CB-CD1 3.45Å; N317-L408 VanDerWaalsContact CB-CD1 3.45Å; N317-L408 HydrophobicContact CB-CG 3.81Å; N317-G409 WeakPolarHBondContact O-CA 3.47Å; N317-G409 PolarHBondContact O-N 3.13Å; N317-G409 VanDerWaalsContact O-N 3.16Å
318	N	88	Confident	88.2	Confident	81 Å²	81	34.3 Å²	34.3	43%	0.433	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	30.3	-179.8	-56.4	-35.3	0	0	0	114.3	S316 C320 W321 G409	S316-N318 PolarHBondContact O-N 3.35Å; N318-C320 PolarHBondContact O-N 2.81Å; N318-W321 PolarHBondContact O-NE1 3.01Å; N318-G409 PolarHBondContact ND2-O 2.79Å
319	L	93.9	Very high	89.1	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.156	C	C	.	.			trans	-85.1	8.7	-172.5	-69.4	178.9	0	0	0	115.6	N317 W321 L322 D323 R393 M394 F397 L408	N317-L319 VanDerWaalsContact C-N 3.26Å; N317-L319 HydrophobicContact CB-CD1 4.33Å; N317-L319 HydrophobicContact CB-CG 4.2Å; N317-L319 PolarHBondContact O-N 2.89Å; L319-W321 HydrophobicContact CD2-CZ2 3.66Å; L319-W321 PolarHBondContact O-N 3.03Å; L319-L322 CarbonylContact O-C 3.58Å; L319-L322 WeakPolarHBondContact O-CA 3.37Å; L319-L322 WeakPolarHBondContact O-CB 3.45Å; L319-L322 PolarHBondContact O-N 3.06Å; L319-D323 PolarHBondContact O-N 2.73Å; L319-R393 HydrophobicContact CD1-CG 4.39Å; L319-M394 HydrophobicContact CD1-SD 4.01Å; L319-F397 HydrophobicContact CD2-CD2 3.7Å; L319-F397 HydrophobicContact CD2-CE2 3.93Å; L319-L408 HydrophobicContact CD1-CD1 3.92Å; L319-L408 HydrophobicContact CD2-CD1 4.24Å; L319-L408 HydrophobicContact CG-CD1 4.29Å
320	C	94.6	Very high	90.1	Very high	8 Å²	8	24.4 Å²	24.4	5%	0.054	12%	0.121	C	C	.	.	H	α-helix	trans	-47.9	-29.5	-178.8	59.8	0	0	0	0	116.1	N318 D323 S324 H538 D555	N318-C320 PolarHBondContact O-N 2.81Å; C320-D323 PolarHBondContact N-OD2 2.85Å; C320-S324 VanDerWaalsContact O-CB 3.23Å; C320-S324 WeakPolarHBondContact O-CB 3.42Å; C320-S324 PolarHBondContact O-N 3.33Å; C320-S324 PolarHBondContact O-OG 3Å; C320-H538 WeakPolarHBondContact CB-ND1 3.36Å; C320-H538 PolarHBondContact SG-ND1 3.43Å; C320-D555 VanDerWaalsContact CA-OD2 3.26Å; C320-D555 WeakPolarHBondContact CA-OD2 3.46Å; C320-D555 VanDerWaalsContact CB-OD2 3.22Å; C320-D555 WeakPolarHBondContact CB-OD2 3.28Å
321	W	95.7	Very high	91	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.008	12%	0.116	C	C	.	.	H	α-helix	trans	-65.8	-35.3	172.9	59.9	-92.9	0	0	0	113.4	N318 L319 L325 F397 L400 L404 E412 P414 A417 F539	N318-W321 PolarHBondContact O-NE1 3.01Å; L319-W321 HydrophobicContact CD2-CZ2 3.66Å; L319-W321 PolarHBondContact O-N 3.03Å; W321-L325 WeakPolarHBondContact O-CB 3.45Å; W321-F397 HydrophobicContact CH2-CD2 4.02Å; W321-F397 HydrophobicContact CH2-CE2 4.27Å; W321-F397 AromaticContact CZ2-CD2 3.97Å; W321-F397 HydrophobicContact CZ2-CD2 3.97Å; W321-F397 AromaticContact CZ2-CE2 3.96Å; W321-F397 HydrophobicContact CZ2-CE2 3.96Å; W321-L400 HydrophobicContact CZ3-CD1 4.37Å; W321-L404 HydrophobicContact CH2-CD1 4.01Å; W321-L404 HydrophobicContact CZ3-CD1 4.04Å; W321-E412 VanDerWaalsContact CB-O 3.28Å; W321-E412 WeakPolarHBondContact CB-O 3.43Å; W321-E412 HydrophobicContact CD2-CB 3.7Å; W321-E412 HydrophobicContact CE3-CB 4.04Å; W321-E412 HydrophobicContact CG-CB 4.11Å; W321-E412 HydrophobicContact CH2-CB 4.37Å; W321-E412 HydrophobicContact CZ2-CB 4.04Å; W321-E412 HydrophobicContact CZ2-CG 4.25Å; W321-E412 HydrophobicContact CZ3-CB 4.37Å; W321-P414 HydrophobicContact CB-CG 4.4Å; W321-P414 WeakPolarHBondContact O-CG 3.18Å; W321-A417 HydrophobicContact CE3-CB 3.87Å; W321-A417 HydrophobicContact CZ3-CB 3.66Å; W321-F539 HydrophobicContact CB-CD2 3.66Å; W321-F539 HydrophobicContact CB-CE2 3.77Å
322	L	96.4	Very high	91.6	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-81.3	-43.4	173.1	-177	57.8	0	0	0	109.9	L319 S324 L325 L326 R393 V396 F397 L400	L319-L322 CarbonylContact O-C 3.58Å; L319-L322 WeakPolarHBondContact O-CA 3.37Å; L319-L322 WeakPolarHBondContact O-CB 3.45Å; L319-L322 PolarHBondContact O-N 3.06Å; L322-S324 VanDerWaalsContact C-N 3.33Å; L322-S324 PolarHBondContact O-N 3.38Å; L322-L325 PolarHBondContact O-N 2.84Å; L322-L325 VanDerWaalsContact O-N 3.12Å; L322-L326 HydrophobicContact CD1-CD1 4.28Å; L322-L326 HydrophobicContact CD1-CD2 4.2Å; L322-L326 HydrophobicContact CD1-CG 3.99Å; L322-L326 HydrophobicContact CG-CD1 3.98Å; L322-L326 HydrophobicContact CG-CG 4.13Å; L322-L326 WeakPolarHBondContact O-CB 3.21Å; L322-L326 VanDerWaalsContact O-CG 3.27Å; L322-L326 WeakPolarHBondContact O-CG 3.45Å; L322-L326 PolarHBondContact O-N 2.83Å; L322-R393 HydrophobicContact CD2-CG 3.7Å; L322-R393 HydrophobicContact CG-CG 4.2Å; L322-V396 HydrophobicContact CD1-CG1 4.03Å; L322-F397 HydrophobicContact CD2-CB 3.79Å; L322-F397 HydrophobicContact CD2-CD2 4.37Å; L322-L400 HydrophobicContact CD1-CD1 4.1Å
323	D	95.1	Very high	92.3	Very high	7 Å²	7	26.2 Å²	26.2	4%	0.037	13%	0.128	C	C	.	.	H	α-helix	trans	-58.4	-44.8	179	-60.8	-52.3	0	0	0	111.7	W313 L319 C320 L325 L326 A327 R393 D555	W313-D323 HydrophobicContact CB-CB 4.13Å; W313-D323 WeakPolarHBondContact CB-OD1 3.24Å; L319-D323 PolarHBondContact O-N 2.73Å; C320-D323 PolarHBondContact N-OD2 2.85Å; D323-L325 PolarHBondContact O-N 2.92Å; D323-L326 PolarHBondContact O-N 3.4Å; D323-A327 WeakPolarHBondContact O-CB 3.28Å; D323-A327 PolarHBondContact O-N 2.98Å; D323-R393 WeakPolarHBondContact OD1-CD 3.46Å; D323-R393 IonicContact OD1-CZ 3.8Å; D323-R393 IonicContact OD1-NE 2.8Å; D323-R393 IonicContact OD1-NH1 2.73Å; D323-R393 PolarHBondContact OD1-NH1 2.81Å; D323-R393 IonicContact OD2-CZ 2.66Å; D323-R393 IonicContact OD2-NH1 2.73Å; D323-R393 PolarHBondContact OD2-NH1 3.33Å; D323-D555 HydrophobicContact CB-CB 4.43Å
324	S	95.9	Very high	92.6	Very high	4 Å²	4	26.2 Å²	26.2	3%	0.028	13%	0.13	C	C	.	.	H	α-helix	trans	-59.3	-45.8	172.9	-67	0	0	0	0	112.5	C320 L322 A327 V328 F539 T541	C320-S324 VanDerWaalsContact O-CB 3.23Å; C320-S324 WeakPolarHBondContact O-CB 3.42Å; C320-S324 PolarHBondContact O-N 3.33Å; C320-S324 PolarHBondContact O-OG 3Å; L322-S324 VanDerWaalsContact C-N 3.33Å; L322-S324 PolarHBondContact O-N 3.38Å; S324-A327 PolarHBondContact O-N 3.41Å; S324-V328 PolarHBondContact O-N 3.4Å; S324-V328 VanDerWaalsContact O-N 3.14Å; S324-F539 VanDerWaalsContact OG-CB 3.24Å; S324-F539 WeakPolarHBondContact OG-CB 3.28Å; S324-F539 PolarHBondContact OG-O 2.86Å; S324-T541 VanDerWaalsContact C-OG1 3.31Å; S324-T541 WeakPolarHBondContact CA-OG1 3.49Å; S324-T541 VanDerWaalsContact CB-OG1 3.28Å; S324-T541 WeakPolarHBondContact CB-OG1 3.5Å; S324-T541 PolarHBondContact O-OG1 3.19Å
325	L	97.3	Very high	93.2	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-65.8	-43.7	179.6	175.2	57.8	0	0	0	111.9	W321 L322 D323 A327 V328 L329 A417 M418 L421	W321-L325 WeakPolarHBondContact O-CB 3.45Å; L322-L325 PolarHBondContact O-N 2.84Å; L322-L325 VanDerWaalsContact O-N 3.12Å; D323-L325 PolarHBondContact O-N 2.92Å; L325-A327 VanDerWaalsContact C-N 3.34Å; L325-V328 PolarHBondContact O-N 3.3Å; L325-L329 HydrophobicContact CD1-CD1 3.86Å; L325-L329 HydrophobicContact CD1-CG 4.03Å; L325-L329 HydrophobicContact CG-CD1 3.98Å; L325-L329 WeakPolarHBondContact O-CG 3.27Å; L325-L329 PolarHBondContact O-N 2.81Å; L325-A417 HydrophobicContact CD2-CB 3.76Å; L325-M418 HydrophobicContact CD1-CB 3.65Å; L325-M418 HydrophobicContact CD1-CG 3.74Å; L325-M418 HydrophobicContact CD2-CB 4Å; L325-L421 HydrophobicContact CD2-CD2 4.23Å
326	L	96.6	Very high	93.8	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-62.9	-42.4	176.4	-65.3	179.3	0	0	0	110.7	W313 L322 D323 V328 L329 V330 L352 R393 V396	W313-L326 HydrophobicContact CD2-CB 4.38Å; W313-L326 HydrophobicContact CD2-CD1 4.36Å; W313-L326 HydrophobicContact CE3-CB 4.05Å; W313-L326 HydrophobicContact CH2-CB 3.67Å; W313-L326 HydrophobicContact CZ2-CB 4Å; W313-L326 HydrophobicContact CZ2-CD1 4.05Å; W313-L326 HydrophobicContact CZ3-CB 3.69Å; L322-L326 HydrophobicContact CD1-CD1 4.28Å; L322-L326 HydrophobicContact CD1-CD2 4.2Å; L322-L326 HydrophobicContact CD1-CG 3.99Å; L322-L326 HydrophobicContact CG-CD1 3.98Å; L322-L326 HydrophobicContact CG-CG 4.13Å; L322-L326 WeakPolarHBondContact O-CB 3.21Å; L322-L326 VanDerWaalsContact O-CG 3.27Å; L322-L326 WeakPolarHBondContact O-CG 3.45Å; L322-L326 PolarHBondContact O-N 2.83Å; D323-L326 PolarHBondContact O-N 3.4Å; L326-V328 VanDerWaalsContact C-N 3.35Å; L326-V328 PolarHBondContact O-N 2.87Å; L326-L329 PolarHBondContact O-N 2.92Å; L326-V330 WeakPolarHBondContact O-CG2 3.4Å; L326-V330 PolarHBondContact O-N 2.84Å; L326-L352 HydrophobicContact CD2-CD1 3.85Å; L326-L352 HydrophobicContact CD2-CD2 3.5Å; L326-L352 HydrophobicContact CD2-CG 4.33Å; L326-R393 HydrophobicContact CD1-CB 3.88Å; L326-R393 HydrophobicContact CD1-CG 3.84Å; L326-V396 HydrophobicContact CD2-CB 4.3Å; L326-V396 HydrophobicContact CD2-CG1 4.15Å; L326-V396 HydrophobicContact CD2-CG2 4.08Å
327	A	95.1	Very high	94.3	Very high	2 Å²	2	25.7 Å²	25.7	2%	0.017	12%	0.122	C	C	.	.	H	α-helix	trans	-59.5	-39.3	176.5	0	0	0	0	0	113.3	D323 S324 L325 N331 T541 Y553	D323-A327 WeakPolarHBondContact O-CB 3.28Å; D323-A327 PolarHBondContact O-N 2.98Å; S324-A327 PolarHBondContact O-N 3.41Å; L325-A327 VanDerWaalsContact C-N 3.34Å; A327-N331 WeakPolarHBondContact O-CB 3.45Å; A327-N331 PolarHBondContact O-ND2 2.85Å; A327-T541 HydrophobicContact CB-CG2 4.01Å; A327-Y553 HydrophobicContact CB-CD1 3.74Å; A327-Y553 HydrophobicContact CB-CE1 4.18Å; A327-Y553 HydrophobicContact CB-CG 4.13Å
328	V	96.8	Very high	94.6	Very high	3 Å²	3	26.2 Å²	26.2	2%	0.018	12%	0.124	C	C	.	.	H	α-helix	trans	-67.1	-51	172	176.8	0	0	0	0	110.6	S324 L325 L326 V330 N331 C332 A528 I530 T541 M543 F577	S324-V328 PolarHBondContact O-N 3.4Å; S324-V328 VanDerWaalsContact O-N 3.14Å; L325-V328 PolarHBondContact O-N 3.3Å; L326-V328 VanDerWaalsContact C-N 3.35Å; L326-V328 PolarHBondContact O-N 2.87Å; V328-V330 PolarHBondContact O-N 3.42Å; V328-N331 PolarHBondContact O-N 2.8Å; V328-N331 VanDerWaalsContact O-N 3.16Å; V328-C332 WeakPolarHBondContact O-CB 3.19Å; V328-C332 PolarHBondContact O-N 2.99Å; V328-A528 HydrophobicContact CG1-CB 4.06Å; V328-A528 HydrophobicContact CG2-CB 4.2Å; V328-I530 HydrophobicContact CG2-CD1 4.17Å; V328-I530 HydrophobicContact CG2-CG1 3.91Å; V328-T541 HydrophobicContact CG2-CG2 3.6Å; V328-M543 HydrophobicContact CG2-SD 4.41Å; V328-F577 HydrophobicContact CG1-CD1 4.04Å; V328-F577 HydrophobicContact CG1-CD2 4.06Å; V328-F577 HydrophobicContact CG1-CE1 3.93Å; V328-F577 HydrophobicContact CG1-CE2 3.96Å; V328-F577 HydrophobicContact CG1-CG 4.12Å; V328-F577 HydrophobicContact CG1-CZ 3.89Å; V328-F577 HydrophobicContact CG2-CE2 4.1Å
329	L	96.8	Very high	94.9	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	12%	0.115	C	C	.	.	H	α-helix	trans	-63.8	-38	-173	-69.6	174.5	0	0	0	113.3	L325 L326 N331 L335 L352 L353 L421 L422 F432	L325-L329 HydrophobicContact CD1-CD1 3.86Å; L325-L329 HydrophobicContact CD1-CG 4.03Å; L325-L329 HydrophobicContact CG-CD1 3.98Å; L325-L329 WeakPolarHBondContact O-CG 3.27Å; L325-L329 PolarHBondContact O-N 2.81Å; L326-L329 PolarHBondContact O-N 2.92Å; L329-N331 VanDerWaalsContact C-N 3.32Å; L329-L335 HydrophobicContact CB-CD1 4.47Å; L329-L335 HydrophobicContact CD2-CD1 3.71Å; L329-L352 HydrophobicContact CB-CD2 4.23Å; L329-L352 HydrophobicContact CD1-CD2 4.4Å; L329-L353 WeakPolarHBondContact O-CD2 3.4Å; L329-L421 HydrophobicContact CD1-CD2 3.54Å; L329-L421 HydrophobicContact CD1-CG 4.4Å; L329-L422 HydrophobicContact CD2-CD2 3.89Å; L329-F432 HydrophobicContact CD2-CZ 4.04Å
330	V	94.9	Very high	94.8	Very high	3 Å²	3	27.7 Å²	27.7	2%	0.018	13%	0.129	C	C	.	.	H	α-helix	trans	-75.7	-18.7	178.1	-57.8	0	0	0	0	113.7	W313 L326 V328 R336 L352 H356	W313-V330 HydrophobicContact CH2-CG1 3.94Å; W313-V330 HydrophobicContact CH2-CG2 4.01Å; W313-V330 HydrophobicContact CZ3-CG2 4.15Å; L326-V330 WeakPolarHBondContact O-CG2 3.4Å; L326-V330 PolarHBondContact O-N 2.84Å; V328-V330 PolarHBondContact O-N 3.42Å; V330-R336 PolarHBondContact O-NE 3.19Å; V330-R336 PolarHBondContact O-NH2 3.29Å; V330-L352 HydrophobicContact CG1-CD1 3.92Å; V330-L352 HydrophobicContact CG1-CD2 4.28Å; V330-L352 HydrophobicContact CG1-CG 3.86Å; V330-H356 HydrophobicContact CB-CB 4.43Å; V330-H356 HydrophobicContact CG1-CB 3.95Å
331	N	93.6	Very high	94.4	Very high	20 Å²	20	36.2 Å²	36.2	11%	0.107	17%	0.168	C	C	.	.	H	α-helix	trans	-104.1	-13.1	-179.4	-71.1	-62	0	0	0	114.9	Q310 A327 V328 L329 K333 R336 M543 Y553	Q310-N331 PolarHBondContact NE2-OD1 3.3Å; A327-N331 WeakPolarHBondContact O-CB 3.45Å; A327-N331 PolarHBondContact O-ND2 2.85Å; V328-N331 PolarHBondContact O-N 2.8Å; V328-N331 VanDerWaalsContact O-N 3.16Å; L329-N331 VanDerWaalsContact C-N 3.32Å; N331-K333 PolarHBondContact O-N 3.47Å; N331-R336 PolarHBondContact OD1-NH2 3.5Å; N331-R336 VanDerWaalsContact OD1-NH2 3.13Å; N331-M543 HydrophobicContact CB-CE 3.7Å; N331-M543 HydrophobicContact CB-CG 4.41Å; N331-M543 HydrophobicContact CB-SD 4.22Å; N331-Y553 PolarHBondContact ND2-OH 3.19Å
332	C	95.4	Very high	93.9	Very high	3 Å²	3	46.4 Å²	46.4	2%	0.02	21%	0.206	C	C	.	.			trans	-54.1	120	172.7	171	0	0	0	0	111.2	V328 L335 R336 V498 E579	V328-C332 WeakPolarHBondContact O-CB 3.19Å; V328-C332 PolarHBondContact O-N 2.99Å; C332-L335 HydrophobicContact CB-CB 3.97Å; C332-L335 HydrophobicContact CB-CD1 3.97Å; C332-L335 HydrophobicContact CB-CG 4.28Å; C332-L335 PolarHBondContact SG-N 3.11Å; C332-L335 VanDerWaalsContact SG-N 3.38Å; C332-R336 PolarHBondContact O-N 3.43Å; C332-V498 VanDerWaalsContact SG-CG2 3.54Å; C332-E579 PolarHBondContact SG-OE2 3.42Å
333	K	93.8	Very high	93.5	Very high	88 Å²	88	50.1 Å²	50.1	38%	0.383	22%	0.224	S	C	.	.	H	α-helix	trans	-69.1	-45.3	-176.1	-57.8	-171.7	-173.9	-173.3	0	111	N331 L335 R336 K337 E546 E579	N331-K333 PolarHBondContact O-N 3.47Å; K333-L335 VanDerWaalsContact C-N 3.28Å; K333-L335 PolarHBondContact O-N 2.66Å; K333-R336 PolarHBondContact O-N 3.36Å; K333-K337 WeakPolarHBondContact O-CB 3.49Å; K333-K337 PolarHBondContact O-N 2.87Å; K333-E546 IonicContact NZ-OE1 2.73Å; K333-E546 PolarHBondContact NZ-OE1 3.22Å; K333-E579 WeakPolarHBondContact CA-OE2 3.17Å; K333-E579 PolarHBondContact N-OE2 2.8Å
334	S	94.6	Very high	93	Very high	13 Å²	13	51.4 Å²	51.4	9%	0.091	23%	0.233	C	C	.	.	H	α-helix	trans	-62.3	-36.2	178.6	-48.7	0	0	0	0	111.7	L338 P497 E579	S334-L338 VanDerWaalsContact O-CB 3.25Å; S334-L338 WeakPolarHBondContact O-CB 3.49Å; S334-L338 WeakPolarHBondContact O-CG 3.5Å; S334-L338 PolarHBondContact O-N 3.35Å; S334-P497 PolarHBondContact OG-O 2.84Å; S334-E579 PolarHBondContact N-OE2 2.84Å; S334-E579 PolarHBondContact OG-OE2 3.41Å
335	L	94.7	Very high	92.2	Very high	0 Å²	0	60 Å²	60	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-65.5	-39.7	174.8	-92.9	175	0	0	0	112.9	L329 C332 K333 R339 L353 W427 V428 L431 F432	L329-L335 HydrophobicContact CB-CD1 4.47Å; L329-L335 HydrophobicContact CD2-CD1 3.71Å; C332-L335 HydrophobicContact CB-CB 3.97Å; C332-L335 HydrophobicContact CB-CD1 3.97Å; C332-L335 HydrophobicContact CB-CG 4.28Å; C332-L335 PolarHBondContact SG-N 3.11Å; C332-L335 VanDerWaalsContact SG-N 3.38Å; K333-L335 VanDerWaalsContact C-N 3.28Å; K333-L335 PolarHBondContact O-N 2.66Å; L335-R339 WeakPolarHBondContact O-CB 3.42Å; L335-R339 PolarHBondContact O-N 2.98Å; L335-L353 HydrophobicContact CB-CD1 4.37Å; L335-W427 HydrophobicContact CD2-CH2 3.86Å; L335-W427 HydrophobicContact CD2-CZ3 3.87Å; L335-V428 HydrophobicContact CD2-CB 4.47Å; L335-V428 HydrophobicContact CD2-CG1 4.04Å; L335-V428 HydrophobicContact CD2-CG2 3.9Å; L335-L431 HydrophobicContact CD2-CD1 4.04Å; L335-F432 HydrophobicContact CD1-CE2 3.83Å; L335-F432 HydrophobicContact CD1-CZ 3.86Å; L335-F432 HydrophobicContact CD2-CE2 4.27Å; L335-F432 HydrophobicContact CG-CE2 3.96Å; L335-F432 HydrophobicContact CG-CZ 4.32Å
336	R	92	Very high	91.4	Very high	109 Å²	109	70.6 Å²	70.6	41%	0.411	31%	0.312	S	S	.	.	H	α-helix	trans	-68.5	-46	174.9	-67.8	178.7	-176.5	177.7	2.1	111.3	V330 N331 C332 K333 R339	V330-R336 PolarHBondContact O-NE 3.19Å; V330-R336 PolarHBondContact O-NH2 3.29Å; N331-R336 PolarHBondContact OD1-NH2 3.5Å; N331-R336 VanDerWaalsContact OD1-NH2 3.13Å; C332-R336 PolarHBondContact O-N 3.43Å; K333-R336 PolarHBondContact O-N 3.36Å; R336-R339 WeakPolarHBondContact O-CB 3.28Å
337	K	92.6	Very high	91.2	Very high	126 Å²	126	70.8 Å²	70.8	55%	0.548	31%	0.314	S	S	.	.	H	α-helix	trans	-68.4	-41.5	-177.1	179.7	170.6	-177.6	176.4	0	113.7	K333 R339 E582	K333-K337 WeakPolarHBondContact O-CB 3.49Å; K333-K337 PolarHBondContact O-N 2.87Å; K337-R339 VanDerWaalsContact C-N 3.33Å; K337-E582 WeakPolarHBondContact CD-OE1 3.5Å; K337-E582 WeakPolarHBondContact CE-OE1 3.1Å; K337-E582 IonicContact NZ-OE1 2.73Å; K337-E582 PolarHBondContact NZ-OE1 3.48Å; K337-E582 IonicContact NZ-OE2 2.92Å; K337-E582 PolarHBondContact NZ-OE2 3.36Å
338	L	93.4	Very high	91.1	Very high	81 Å²	81	71.4 Å²	71.4	42%	0.424	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	14.4	-176.6	-56.2	172.6	0	0	0	112.3	S334 P340 L431 P497	S334-L338 VanDerWaalsContact O-CB 3.25Å; S334-L338 WeakPolarHBondContact O-CB 3.49Å; S334-L338 WeakPolarHBondContact O-CG 3.5Å; S334-L338 PolarHBondContact O-N 3.35Å; L338-P340 WeakPolarHBondContact O-CD 3.33Å; L338-L431 HydrophobicContact CB-CD1 4.06Å; L338-L431 HydrophobicContact CB-CD2 4.15Å; L338-L431 HydrophobicContact CD1-CD2 3.54Å; L338-L431 HydrophobicContact CG-CD2 4.49Å; L338-P497 HydrophobicContact CD1-CB 4Å; L338-P497 HydrophobicContact CD1-CG 3.96Å
339	R	93.3	Very high	91	Very high	67 Å²	67	71.3 Å²	71.3	25%	0.253	32%	0.317	S	S	.	.			trans	-66.4	127	174.2	-175.2	171.1	65.5	179.6	-2.8	110.4	L335 R336 K337 E341 W350 E357 W427	L335-R339 WeakPolarHBondContact O-CB 3.42Å; L335-R339 PolarHBondContact O-N 2.98Å; R336-R339 WeakPolarHBondContact O-CB 3.28Å; K337-R339 VanDerWaalsContact C-N 3.33Å; R339-E341 PolarHBondContact O-N 3.11Å; R339-W350 HydrophobicContact CG-CG 4.4Å; R339-W350 VanDerWaalsContact CG-NE1 3.28Å; R339-E357 IonicContact CZ-OE1 3.47Å; R339-E357 IonicContact CZ-OE2 3.52Å; R339-E357 IonicContact NH1-OE1 3.35Å; R339-E357 PolarHBondContact NH1-OE1 2.76Å; R339-E357 IonicContact NH1-OE2 3.44Å; R339-E357 PolarHBondContact NH1-OE2 2.8Å; R339-E357 IonicContact NH2-OE1 2.83Å; R339-E357 IonicContact NH2-OE2 2.76Å; R339-E357 PolarHBondContact NH2-OE2 3.01Å; R339-W427 HydrophobicContact CB-CH2 4.17Å; R339-W427 HydrophobicContact CB-CZ3 4.44Å; R339-W427 HydrophobicContact CG-CH2 4.08Å; R339-W427 HydrophobicContact CG-CZ2 4.46Å
340	P	91.5	Very high	90.9	Very high	44 Å²	44	71.6 Å²	71.6	29%	0.286	32%	0.318	S	S	.	.			trans	-56.7	130.4	171.2	-26.5	34.8	0	0	0	111.9	L338 R342 P344 W350 W427	L338-P340 WeakPolarHBondContact O-CD 3.33Å; P340-R342 VanDerWaalsContact C-N 3.3Å; P340-R342 PolarHBondContact O-N 3.25Å; P340-P344 HydrophobicContact CB-CG 4.01Å; P340-P344 HydrophobicContact CG-CG 3.95Å; P340-W350 PolarHBondContact O-NE1 2.82Å; P340-W427 VanDerWaalsContact CD-CE3 3.49Å; P340-W427 HydrophobicContact CG-CB 4.38Å; P340-W427 HydrophobicContact CG-CD2 3.95Å; P340-W427 HydrophobicContact CG-CE3 4.23Å; P340-W427 HydrophobicContact CG-CG 4.03Å
341	E	86.4	Confident	90.8	Very high	187 Å²	187	74.4 Å²	74.4	87%	0.874	33%	0.331	S	S	*	.	S	Bend	trans	-54	-46.9	179.4	-60.1	175.4	168.5	0	0	112.2	R339	R339-E341 PolarHBondContact O-N 3.11Å
342	R	86.2	Confident	90.9	Very high	216 Å²	216	73.6 Å²	73.6	82%	0.815	33%	0.327	S	S	*	.	S	Bend	trans	-89.7	128	176.5	-61.3	-175.4	-175.5	-170.4	0.8	108.9	P340 P344	P340-R342 VanDerWaalsContact C-N 3.3Å; P340-R342 PolarHBondContact O-N 3.25Å; R342-P344 VanDerWaalsContact O-CD 3.24Å; R342-P344 WeakPolarHBondContact O-CD 3.07Å; R342-P344 VanDerWaalsContact O-N 3.16Å
343	Q	87.6	Confident	90.9	Very high	78 Å²	78	73.5 Å²	73.5	36%	0.364	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-52.1	116.5	176.8	178.7	174.6	-5.3	0	0	111.3	W350	Q343-W350 HydrophobicContact CB-CD2 4.09Å; Q343-W350 HydrophobicContact CB-CE3 3.86Å; Q343-W350 HydrophobicContact CB-CH2 3.94Å; Q343-W350 HydrophobicContact CB-CZ2 4.06Å; Q343-W350 HydrophobicContact CB-CZ3 3.8Å; Q343-W350 HydrophobicContact CG-CD2 4.01Å; Q343-W350 HydrophobicContact CG-CE3 3.58Å; Q343-W350 HydrophobicContact CG-CZ3 3.89Å
344	P	85.5	Confident	91	Very high	35 Å²	35	74.2 Å²	74.2	23%	0.227	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-69.5	146.9	176.6	-16.3	30.5	0	0	0	111	P340 R342 R346 S347	P340-P344 HydrophobicContact CB-CG 4.01Å; P340-P344 HydrophobicContact CG-CG 3.95Å; R342-P344 VanDerWaalsContact O-CD 3.24Å; R342-P344 WeakPolarHBondContact O-CD 3.07Å; R342-P344 VanDerWaalsContact O-N 3.16Å; P344-R346 PolarHBondContact O-N 2.89Å; P344-S347 VanDerWaalsContact O-CB 3.31Å; P344-S347 WeakPolarHBondContact O-CB 3.41Å; P344-S347 PolarHBondContact O-N 3.42Å
345	Q	77.9	Confident	91	Very high	183 Å²	183	77.9 Å²	77.9	86%	0.855	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	128.1	-177.2	-74.7	-66.5	-8	0	0	111.8	S347	Q345-S347 PolarHBondContact O-N 2.79Å
346	R	81.6	Confident	91	Very high	224 Å²	224	78.2 Å²	78.2	85%	0.845	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	8.4	-179.8	-58.6	179.5	176.1	171.9	-1.7	116.3	P344 S348	P344-R346 PolarHBondContact O-N 2.89Å; R346-S348 PolarHBondContact O-N 3.19Å; R346-S348 PolarHBondContact O-OG 2.78Å
347	S	91.4	Very high	91.2	Very high	4 Å²	4	75.9 Å²	75.9	3%	0.028	34%	0.336	C	S	.	.			trans	-62.8	124.4	-179.4	-176.1	0	0	0	0	111.2	P344 Q345 W350 Q351 D425 W427	P344-S347 VanDerWaalsContact O-CB 3.31Å; P344-S347 WeakPolarHBondContact O-CB 3.41Å; P344-S347 PolarHBondContact O-N 3.42Å; Q345-S347 PolarHBondContact O-N 2.79Å; S347-W350 WeakPolarHBondContact OG-CB 3.46Å; S347-Q351 WeakPolarHBondContact O-CG 3.18Å; S347-Q351 PolarHBondContact O-NE2 2.87Å; S347-D425 WeakPolarHBondContact CA-OD1 3.23Å; S347-D425 WeakPolarHBondContact CA-OD2 3.48Å; S347-D425 WeakPolarHBondContact CB-OD2 3.45Å; S347-D425 VanDerWaalsContact OG-CG 3.22Å; S347-D425 PolarHBondContact OG-OD2 2.96Å; S347-W427 PolarHBondContact OG-NE1 2.82Å
348	S	92.6	Very high	91.3	Very high	15 Å²	15	73.8 Å²	73.8	11%	0.105	33%	0.331	C	S	.	.	H	α-helix	trans	-95	-40	-170.1	-61.9	0	0	0	0	112.5	R346 Q351 L352 L399 D425	R346-S348 PolarHBondContact O-N 3.19Å; R346-S348 PolarHBondContact O-OG 2.78Å; S348-Q351 PolarHBondContact O-N 2.84Å; S348-L352 PolarHBondContact O-N 2.91Å; S348-L399 WeakPolarHBondContact OG-CD1 3.44Å; S348-D425 VanDerWaalsContact N-CG 3.3Å; S348-D425 PolarHBondContact N-OD1 2.99Å; S348-D425 PolarHBondContact N-OD2 3.33Å
349	V	94.6	Very high	91.4	Very high	0 Å²	0	70.7 Å²	70.7	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-71.4	-36.5	174.3	-177.7	0	0	0	0	110	Q351 L352 L353 L421 D425 V428	V349-Q351 VanDerWaalsContact C-N 3.32Å; V349-Q351 PolarHBondContact O-N 3.11Å; V349-L352 WeakPolarHBondContact O-CB 3.4Å; V349-L352 PolarHBondContact O-N 2.88Å; V349-L352 VanDerWaalsContact O-N 3.16Å; V349-L353 WeakPolarHBondContact O-CG 3.49Å; V349-L353 PolarHBondContact O-N 2.99Å; V349-L421 HydrophobicContact CG2-CD1 4Å; V349-L421 HydrophobicContact CG2-CG 3.94Å; V349-D425 WeakPolarHBondContact CB-OD2 3.17Å; V349-D425 PolarHBondContact N-OD2 3.05Å; V349-V428 HydrophobicContact CB-CG2 3.96Å; V349-V428 HydrophobicContact CG1-CG2 4.03Å; V349-V428 HydrophobicContact CG2-CG2 4.45Å
350	W	94.9	Very high	91.4	Very high	8 Å²	8	69.4 Å²	69.4	3%	0.03	32%	0.316	C	S	.	.	H	α-helix	trans	-59.8	-42.8	172.9	-163.2	107.6	0	0	0	111.7	R339 P340 Q343 S347 L353 R354 D425 W427	R339-W350 HydrophobicContact CG-CG 4.4Å; R339-W350 VanDerWaalsContact CG-NE1 3.28Å; P340-W350 PolarHBondContact O-NE1 2.82Å; Q343-W350 HydrophobicContact CB-CD2 4.09Å; Q343-W350 HydrophobicContact CB-CE3 3.86Å; Q343-W350 HydrophobicContact CB-CH2 3.94Å; Q343-W350 HydrophobicContact CB-CZ2 4.06Å; Q343-W350 HydrophobicContact CB-CZ3 3.8Å; Q343-W350 HydrophobicContact CG-CD2 4.01Å; Q343-W350 HydrophobicContact CG-CE3 3.58Å; Q343-W350 HydrophobicContact CG-CZ3 3.89Å; S347-W350 WeakPolarHBondContact OG-CB 3.46Å; W350-L353 PolarHBondContact O-N 2.71Å; W350-R354 HydrophobicContact CE3-CB 4.14Å; W350-R354 HydrophobicContact CH2-CB 4.04Å; W350-R354 HydrophobicContact CH2-CG 4.24Å; W350-R354 VanDerWaalsContact CH2-CZ 3.41Å; W350-R354 VanDerWaalsContact CH2-NH2 3.34Å; W350-R354 HydrophobicContact CZ3-CB 3.51Å; W350-R354 HydrophobicContact CZ3-CG 4.03Å; W350-R354 PolarHBondContact O-N 2.76Å; W350-D425 PolarHBondContact N-OD2 3.47Å; W350-W427 HydrophobicContact CB-CZ2 3.85Å; W350-W427 AromaticContact CD1-CZ2 3.71Å; W350-W427 HydrophobicContact CG-CZ2 4.17Å
351	Q	94	Very high	91.5	Very high	62 Å²	62	69.9 Å²	69.9	29%	0.29	32%	0.323	S	S	.	.	H	α-helix	trans	-66.6	-35	174.3	-79.7	179.1	73.6	0	0	113.4	S347 S348 V349 K355	S347-Q351 WeakPolarHBondContact O-CG 3.18Å; S347-Q351 PolarHBondContact O-NE2 2.87Å; S348-Q351 PolarHBondContact O-N 2.84Å; V349-Q351 VanDerWaalsContact C-N 3.32Å; V349-Q351 PolarHBondContact O-N 3.11Å; Q351-K355 VanDerWaalsContact O-CB 3.29Å; Q351-K355 WeakPolarHBondContact O-CB 3.37Å; Q351-K355 WeakPolarHBondContact O-CG 3.21Å; Q351-K355 PolarHBondContact O-N 2.73Å
352	L	95.6	Very high	91.9	Very high	2 Å²	2	63 Å²	63	1%	0.01	30%	0.298	C	S	.	.	H	α-helix	trans	-59.3	-48.7	171.7	169.9	64.8	0	0	0	110.9	W313 L326 L329 V330 S348 V349 H356 L392	W313-L352 HydrophobicContact CZ2-CD1 4.5Å; L326-L352 HydrophobicContact CD2-CD1 3.85Å; L326-L352 HydrophobicContact CD2-CD2 3.5Å; L326-L352 HydrophobicContact CD2-CG 4.33Å; L329-L352 HydrophobicContact CB-CD2 4.23Å; L329-L352 HydrophobicContact CD1-CD2 4.4Å; V330-L352 HydrophobicContact CG1-CD1 3.92Å; V330-L352 HydrophobicContact CG1-CD2 4.28Å; V330-L352 HydrophobicContact CG1-CG 3.86Å; S348-L352 PolarHBondContact O-N 2.91Å; V349-L352 WeakPolarHBondContact O-CB 3.4Å; V349-L352 PolarHBondContact O-N 2.88Å; V349-L352 VanDerWaalsContact O-N 3.16Å; L352-H356 VanDerWaalsContact O-CB 3.23Å; L352-H356 WeakPolarHBondContact O-CB 3.42Å; L352-H356 PolarHBondContact O-N 2.73Å; L352-L392 HydrophobicContact CD1-CD1 4.41Å; L352-L392 HydrophobicContact CD1-CD2 3.93Å; L352-L392 HydrophobicContact CD1-CG 3.91Å
353	L	95.2	Very high	92.2	Very high	2 Å²	2	53 Å²	53	1%	0.01	26%	0.261	C	S	.	.	H	α-helix	trans	-61.5	-54.9	178.7	-65.9	174.7	0	0	0	111.8	L329 L335 V349 W350 K355 H356 E357 W427	L329-L353 WeakPolarHBondContact O-CD2 3.4Å; L335-L353 HydrophobicContact CB-CD1 4.37Å; V349-L353 WeakPolarHBondContact O-CG 3.49Å; V349-L353 PolarHBondContact O-N 2.99Å; W350-L353 PolarHBondContact O-N 2.71Å; L353-K355 PolarHBondContact O-N 3.18Å; L353-H356 PolarHBondContact O-N 2.8Å; L353-E357 WeakPolarHBondContact O-CG 3.32Å; L353-E357 PolarHBondContact O-N 3.34Å; L353-W427 HydrophobicContact CD1-CH2 4.07Å
354	R	94.6	Very high	92.4	Very high	102 Å²	102	55.6 Å²	55.6	39%	0.385	27%	0.273	S	S	.	.	H	α-helix	trans	-58.7	-51.5	-179.8	-168.3	-149.5	-98.4	136.3	1.7	111.1	W350 H356 E357 D358	W350-R354 HydrophobicContact CE3-CB 4.14Å; W350-R354 HydrophobicContact CH2-CB 4.04Å; W350-R354 HydrophobicContact CH2-CG 4.24Å; W350-R354 VanDerWaalsContact CH2-CZ 3.41Å; W350-R354 VanDerWaalsContact CH2-NH2 3.34Å; W350-R354 HydrophobicContact CZ3-CB 3.51Å; W350-R354 HydrophobicContact CZ3-CG 4.03Å; W350-R354 PolarHBondContact O-N 2.76Å; R354-H356 VanDerWaalsContact C-N 3.28Å; R354-H356 PolarHBondContact O-N 3.09Å; R354-E357 CarbonylContact O-C 3.56Å; R354-E357 WeakPolarHBondContact O-CA 3.22Å; R354-E357 WeakPolarHBondContact O-CB 3.26Å; R354-E357 PolarHBondContact O-N 3.3Å; R354-D358 WeakPolarHBondContact CD-OD2 3.31Å; R354-D358 WeakPolarHBondContact CG-OD2 3.4Å; R354-D358 PolarHBondContact O-N 2.83Å
355	K	95.5	Very high	92.8	Very high	91 Å²	91	61.5 Å²	61.5	40%	0.396	30%	0.298	S	S	.	.	H	α-helix	trans	-64.2	-32.9	-176.7	-71	174.9	176.8	170.7	0	112.8	Q351 L353 D358 I359 L392	Q351-K355 VanDerWaalsContact O-CB 3.29Å; Q351-K355 WeakPolarHBondContact O-CB 3.37Å; Q351-K355 WeakPolarHBondContact O-CG 3.21Å; Q351-K355 PolarHBondContact O-N 2.73Å; L353-K355 PolarHBondContact O-N 3.18Å; K355-D358 WeakPolarHBondContact CA-OD2 3.29Å; K355-I359 VanDerWaalsContact O-CD1 3.23Å; K355-I359 WeakPolarHBondContact O-CD1 3.43Å; K355-I359 WeakPolarHBondContact O-CG1 3.39Å; K355-I359 PolarHBondContact O-N 2.86Å; K355-I359 VanDerWaalsContact O-N 3.07Å; K355-L392 HydrophobicContact CB-CD1 3.7Å; K355-L392 HydrophobicContact CB-CD2 3.86Å; K355-L392 HydrophobicContact CB-CG 4.42Å; K355-L392 HydrophobicContact CD-CD1 3.69Å; K355-L392 HydrophobicContact CG-CD1 4.33Å
356	H	95.6	Very high	93.4	Very high	6 Å²	6	56.5 Å²	56.5	3%	0.028	27%	0.274	C	S	.	.	H	α-helix	trans	-66.9	-43.1	172.8	-179.3	-80.3	0	0	0	111.4	W313 V330 L352 L353 R354 I359 C360 L392	W313-H356 AromaticContact CH2-CD2 3.71Å; V330-H356 HydrophobicContact CB-CB 4.43Å; V330-H356 HydrophobicContact CG1-CB 3.95Å; L352-H356 VanDerWaalsContact O-CB 3.23Å; L352-H356 WeakPolarHBondContact O-CB 3.42Å; L352-H356 PolarHBondContact O-N 2.73Å; L353-H356 PolarHBondContact O-N 2.8Å; R354-H356 VanDerWaalsContact C-N 3.28Å; R354-H356 PolarHBondContact O-N 3.09Å; H356-I359 PolarHBondContact O-N 2.87Å; H356-C360 PolarHBondContact CE1-SG 3.05Å; H356-C360 PolarHBondContact O-N 2.83Å; H356-C360 PolarHBondContact O-SG 2.86Å; H356-C360 VanDerWaalsContact O-SG 3.32Å; H356-L392 HydrophobicContact CB-CD2 4.25Å
357	E	94.4	Very high	93.9	Very high	61 Å²	61	49.4 Å²	49.4	29%	0.285	25%	0.251	S	S	.	.	H	α-helix	trans	-62	-45	173.3	-70.9	158.1	-150.4	0	0	112	R339 L353 R354 I359 C360 A361	R339-E357 IonicContact CZ-OE1 3.47Å; R339-E357 IonicContact CZ-OE2 3.52Å; R339-E357 IonicContact NH1-OE1 3.35Å; R339-E357 PolarHBondContact NH1-OE1 2.76Å; R339-E357 IonicContact NH1-OE2 3.44Å; R339-E357 PolarHBondContact NH1-OE2 2.8Å; R339-E357 IonicContact NH2-OE1 2.83Å; R339-E357 IonicContact NH2-OE2 2.76Å; R339-E357 PolarHBondContact NH2-OE2 3.01Å; L353-E357 WeakPolarHBondContact O-CG 3.32Å; L353-E357 PolarHBondContact O-N 3.34Å; R354-E357 CarbonylContact O-C 3.56Å; R354-E357 WeakPolarHBondContact O-CA 3.22Å; R354-E357 WeakPolarHBondContact O-CB 3.26Å; R354-E357 PolarHBondContact O-N 3.3Å; E357-I359 VanDerWaalsContact C-N 3.33Å; E357-I359 PolarHBondContact O-N 3.23Å; E357-C360 PolarHBondContact O-N 2.88Å; E357-A361 WeakPolarHBondContact O-CB 3.44Å; E357-A361 PolarHBondContact O-N 2.95Å
358	D	95.1	Very high	93.7	Very high	82 Å²	82	54.3 Å²	54.3	44%	0.439	27%	0.273	S	S	.	.	H	α-helix	trans	-56.5	-45.1	176.6	-59.5	-35	0	0	0	110.9	R354 K355 A361 A362	R354-D358 WeakPolarHBondContact CD-OD2 3.31Å; R354-D358 WeakPolarHBondContact CG-OD2 3.4Å; R354-D358 PolarHBondContact O-N 2.83Å; K355-D358 WeakPolarHBondContact CA-OD2 3.29Å; D358-A361 PolarHBondContact O-N 3.33Å; D358-A362 WeakPolarHBondContact O-CB 3.4Å; D358-A362 PolarHBondContact O-N 2.92Å
359	I	95.4	Very high	93.2	Very high	15 Å²	15	58.2 Å²	58.2	8%	0.077	30%	0.296	C	S	.	.	H	α-helix	trans	-66.4	-43.2	177.6	-66.4	160.5	0	0	0	111.4	L311 K355 H356 E357 A362 V363 A385 D388 L389 L392	L311-I359 HydrophobicContact CD1-CG2 3.86Å; K355-I359 VanDerWaalsContact O-CD1 3.23Å; K355-I359 WeakPolarHBondContact O-CD1 3.43Å; K355-I359 WeakPolarHBondContact O-CG1 3.39Å; K355-I359 PolarHBondContact O-N 2.86Å; K355-I359 VanDerWaalsContact O-N 3.07Å; H356-I359 PolarHBondContact O-N 2.87Å; E357-I359 VanDerWaalsContact C-N 3.33Å; E357-I359 PolarHBondContact O-N 3.23Å; I359-A362 PolarHBondContact O-N 2.81Å; I359-V363 WeakPolarHBondContact O-CG2 3.37Å; I359-V363 PolarHBondContact O-N 2.9Å; I359-A385 HydrophobicContact CG2-CB 3.66Å; I359-D388 HydrophobicContact CD1-CB 3.56Å; I359-D388 HydrophobicContact CG1-CB 3.75Å; I359-L389 HydrophobicContact CD1-CD2 4.09Å; I359-L389 HydrophobicContact CD1-CG 4.16Å; I359-L389 HydrophobicContact CG2-CG 4.26Å; I359-L392 HydrophobicContact CD1-CD2 4.27Å
360	C	93.1	Very high	92.3	Very high	41 Å²	41	61.1 Å²	61.1	28%	0.277	31%	0.312	S	S	.	.	H	α-helix	trans	-63	-43.3	176.1	-72.3	0	0	0	0	111.7	H356 E357 V363 Q364	H356-C360 PolarHBondContact CE1-SG 3.05Å; H356-C360 PolarHBondContact O-N 2.83Å; H356-C360 PolarHBondContact O-SG 2.86Å; H356-C360 VanDerWaalsContact O-SG 3.32Å; E357-C360 PolarHBondContact O-N 2.88Å; C360-V363 PolarHBondContact O-N 2.79Å; C360-Q364 WeakPolarHBondContact O-CB 3.47Å; C360-Q364 PolarHBondContact O-N 2.78Å
361	A	94.3	Very high	91.3	Very high	54 Å²	54	71 Å²	71	45%	0.446	36%	0.355	S	S	.	.	H	α-helix	trans	-62.8	-43.8	177.7	0	0	0	0	0	111.8	E357 D358 V363 Q364 E365	E357-A361 WeakPolarHBondContact O-CB 3.44Å; E357-A361 PolarHBondContact O-N 2.95Å; D358-A361 PolarHBondContact O-N 3.33Å; A361-V363 VanDerWaalsContact C-N 3.32Å; A361-V363 PolarHBondContact O-N 2.98Å; A361-Q364 CarbonylContact O-C 3.59Å; A361-Q364 PolarHBondContact O-N 2.91Å; A361-Q364 VanDerWaalsContact O-N 3.11Å; A361-E365 WeakPolarHBondContact O-CB 3.4Å; A361-E365 PolarHBondContact O-N 3.19Å
362	A	94.3	Very high	90.7	Very high	42 Å²	42	73.6 Å²	73.6	35%	0.347	37%	0.371	S	S	.	.	H	α-helix	trans	-61.6	-37.7	176.8	0	0	0	0	0	112.8	D358 I359 H366	D358-A362 WeakPolarHBondContact O-CB 3.4Å; D358-A362 PolarHBondContact O-N 2.92Å; I359-A362 PolarHBondContact O-N 2.81Å; A362-H366 PolarHBondContact O-ND1 2.92Å
363	V	93.6	Very high	89.9	Confident	5 Å²	5	76 Å²	76	3%	0.03	40%	0.396	C	S	.	.	H	α-helix	trans	-68.5	-40.4	172.7	174.1	0	0	0	0	111.2	V307 L311 I359 C360 A361 Q367 V377 V381 A385	V307-V363 HydrophobicContact CG1-CG1 3.89Å; V307-V363 HydrophobicContact CG2-CG1 4.35Å; L311-V363 HydrophobicContact CD1-CG2 4.05Å; L311-V363 HydrophobicContact CD2-CG2 4.47Å; I359-V363 WeakPolarHBondContact O-CG2 3.37Å; I359-V363 PolarHBondContact O-N 2.9Å; C360-V363 PolarHBondContact O-N 2.79Å; A361-V363 VanDerWaalsContact C-N 3.32Å; A361-V363 PolarHBondContact O-N 2.98Å; V363-Q367 PolarHBondContact O-N 3.5Å; V363-V377 HydrophobicContact CG1-CG1 4.16Å; V363-V377 VanDerWaalsContact O-CG1 3.27Å; V363-V377 WeakPolarHBondContact O-CG1 3.31Å; V363-V381 HydrophobicContact CG2-CG1 4.35Å; V363-A385 HydrophobicContact CG2-CB 3.53Å
364	Q	92.2	Very high	89.3	Confident	134 Å²	134	78.6 Å²	78.6	63%	0.626	41%	0.412	S	S	*	.	H	α-helix	trans	-70.3	-35.3	-179.3	-172.8	175.9	-5.7	0	0	113.2	C360 A361 H366 Q367	C360-Q364 WeakPolarHBondContact O-CB 3.47Å; C360-Q364 PolarHBondContact O-N 2.78Å; A361-Q364 CarbonylContact O-C 3.59Å; A361-Q364 PolarHBondContact O-N 2.91Å; A361-Q364 VanDerWaalsContact O-N 3.11Å; Q364-H366 VanDerWaalsContact C-N 3.31Å; Q364-H366 PolarHBondContact O-N 2.6Å; Q364-Q367 WeakPolarHBondContact O-CB 3.46Å; Q364-Q367 PolarHBondContact O-N 2.87Å
365	E	93.1	Very high	88.9	Confident	159 Å²	159	75.6 Å²	75.6	74%	0.743	41%	0.406	S	S	*	.	H	α-helix	trans	-61.3	-39.3	175.9	-179.7	-179.7	-155.6	0	0	111.9	A361 Q367	A361-E365 WeakPolarHBondContact O-CB 3.4Å; A361-E365 PolarHBondContact O-N 3.19Å; E365-Q367 VanDerWaalsContact C-N 3.26Å; E365-Q367 PolarHBondContact O-N 3.39Å
366	H	91.1	Very high	88.7	Confident	78 Å²	78	74.5 Å²	74.5	36%	0.361	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	4.7	179.5	-64.5	75.2	0	0	0	113	A362 Q364 Q368 V377 V381	A362-H366 PolarHBondContact O-ND1 2.92Å; Q364-H366 VanDerWaalsContact C-N 3.31Å; Q364-H366 PolarHBondContact O-N 2.6Å; H366-Q368 PolarHBondContact O-N 2.82Å; H366-V377 HydrophobicContact CB-CG1 4.28Å; H366-V381 HydrophobicContact CB-CB 4.47Å; H366-V381 HydrophobicContact CB-CG1 4.07Å; H366-V381 HydrophobicContact CB-CG2 3.96Å
367	Q	91.1	Very high	88.5	Confident	75 Å²	75	74.2 Å²	74.2	35%	0.35	40%	0.398	S	S	.	.			trans	-78.5	117	-173.3	-171.6	179.3	-80.8	0	0	111.7	V307 V363 Q364 E365 P375 R376 V377	V307-Q367 HydrophobicContact CG2-CG 4.15Å; V363-Q367 PolarHBondContact O-N 3.5Å; Q364-Q367 WeakPolarHBondContact O-CB 3.46Å; Q364-Q367 PolarHBondContact O-N 2.87Å; E365-Q367 VanDerWaalsContact C-N 3.26Å; E365-Q367 PolarHBondContact O-N 3.39Å; Q367-P375 HydrophobicContact CG-CB 3.57Å; Q367-R376 WeakPolarHBondContact CA-O 3.32Å; Q367-V377 HydrophobicContact CB-CG1 4.3Å
368	Q	88.3	Confident	88.5	Confident	107 Å²	107	71.8 Å²	71.8	50%	0.5	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	128.9	173.5	-58.6	-176	14.1	0	0	109	F304 H366 R376	F304-Q368 HydrophobicContact CE1-CB 4.47Å; F304-Q368 HydrophobicContact CE1-CG 4.17Å; H366-Q368 PolarHBondContact O-N 2.82Å; Q368-R376 PolarHBondContact N-O 3.36Å; Q368-R376 PolarHBondContact O-N 3.01Å
369	T	82.3	Confident	88.3	Confident	97 Å²	97	69.2 Å²	69.2	60%	0.595	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.5	107.3	175.7	-56	0	0	0	0	108.8
370	D	75.3	Confident	88.2	Confident	60 Å²	60	72.2 Å²	72.2	32%	0.321	39%	0.389	S	S	.	.			trans	-68	166.8	175	-89.3	-31.1	0	0	0	111.6	D372 G373 V374 R376	D370-D372 PolarHBondContact O-N 3.27Å; D370-G373 PolarHBondContact O-N 2.89Å; D370-V374 PolarHBondContact N-O 3.3Å; D370-R376 WeakPolarHBondContact OD2-CD 3.42Å; D370-R376 IonicContact OD2-CZ 3.86Å; D370-R376 IonicContact OD2-NE 3.72Å; D370-R376 PolarHBondContact OD2-NE 2.58Å; D370-R376 IonicContact OD2-NH1 3.9Å; D370-R376 PolarHBondContact OD2-NH1 3.04Å; D370-R376 IonicContact OD2-NH2 3.65Å
371	K	73.8	Confident	88.2	Confident	217 Å²	217	70.9 Å²	70.9	94%	0.943	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-21	178.9	-64.2	-178.2	-179.3	178.5	0	114.2	G373	K371-G373 PolarHBondContact O-N 2.96Å
372	D	80.6	Confident	88.1	Confident	116 Å²	116	69.3 Å²	69.3	62%	0.62	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-3.9	176.3	-48.8	-37.5	0	0	0	113.2	D370 V374 R376	D370-D372 PolarHBondContact O-N 3.27Å; D372-V374 HydrophobicContact CB-CG2 4.18Å; D372-V374 PolarHBondContact O-N 3Å; D372-R376 IonicContact OD2-CZ 2.76Å; D372-R376 IonicContact OD2-NH2 3.2Å; D372-R376 PolarHBondContact OD2-NH2 2.83Å
373	G	78.9	Confident	88	Confident	52 Å²	52	72.9 Å²	72.9	54%	0.536	37%	0.373	S	S	.	.	S	Bend	trans	74	-1.1	-172.6	0	0	0	0	0	114.6	D370 K371	D370-G373 PolarHBondContact O-N 2.89Å; K371-G373 PolarHBondContact O-N 2.96Å
374	V	82.1	Confident	88	Confident	56 Å²	56	77.1 Å²	77.1	34%	0.339	40%	0.396	S	S	.	.			trans	-82.4	124.4	-179.8	179.9	0	0	0	0	109.9	D370 D372	D370-V374 PolarHBondContact N-O 3.3Å; D372-V374 HydrophobicContact CB-CG2 4.18Å; D372-V374 PolarHBondContact O-N 3Å
375	P	87.3	Confident	88.1	Confident	40 Å²	40	71 Å²	71	26%	0.26	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	133.9	175.1	28.3	-34	0	0	0	111	S306 V307 Q367	S306-P375 CarbonylContact C-O 3.54Å; S306-P375 WeakPolarHBondContact CA-O 3.27Å; V307-P375 HydrophobicContact CB-CB 4.21Å; V307-P375 HydrophobicContact CB-CG 4.25Å; V307-P375 HydrophobicContact CG2-CB 4.25Å; V307-P375 PolarHBondContact N-O 3.46Å; Q367-P375 HydrophobicContact CG-CB 3.57Å
376	R	90.7	Very high	88.1	Confident	67 Å²	67	65.2 Å²	65.2	25%	0.253	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	151.8	177.3	-51.1	-163.1	-175.6	148.4	4.1	111.5	F304 V305 Q367 Q368 D370 D372	F304-R376 HydrophobicContact CB-CB 4.29Å; F304-R376 HydrophobicContact CD1-CB 4.3Å; V305-R376 CarbonylContact O-C 3.5Å; V305-R376 WeakPolarHBondContact O-CA 3.18Å; V305-R376 WeakPolarHBondContact O-CB 3.2Å; Q367-R376 WeakPolarHBondContact CA-O 3.32Å; Q368-R376 PolarHBondContact N-O 3.36Å; Q368-R376 PolarHBondContact O-N 3.01Å; D370-R376 WeakPolarHBondContact OD2-CD 3.42Å; D370-R376 IonicContact OD2-CZ 3.86Å; D370-R376 IonicContact OD2-NE 3.72Å; D370-R376 PolarHBondContact OD2-NE 2.58Å; D370-R376 IonicContact OD2-NH1 3.9Å; D370-R376 PolarHBondContact OD2-NH1 3.04Å; D370-R376 IonicContact OD2-NH2 3.65Å; D372-R376 IonicContact OD2-CZ 2.76Å; D372-R376 IonicContact OD2-NH2 3.2Å; D372-R376 PolarHBondContact OD2-NH2 2.83Å
377	V	92.4	Very high	88.2	Confident	0 Å²	0	66 Å²	66	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	158.1	174.6	-71.7	0	0	0	0	110	F304 V305 V307 V363 H366 Q367 S379 L382	F304-V377 CarbonylContact C-O 3.56Å; F304-V377 WeakPolarHBondContact CA-O 3.49Å; V305-V377 HydrophobicContact CG2-CG2 4.19Å; V305-V377 PolarHBondContact N-O 3.18Å; V305-V377 PolarHBondContact O-N 3.09Å; V307-V377 HydrophobicContact CG2-CB 4.2Å; V307-V377 HydrophobicContact CG2-CG1 3.52Å; V307-V377 HydrophobicContact CG2-CG2 3.9Å; V363-V377 HydrophobicContact CG1-CG1 4.16Å; V363-V377 VanDerWaalsContact O-CG1 3.27Å; V363-V377 WeakPolarHBondContact O-CG1 3.31Å; H366-V377 HydrophobicContact CB-CG1 4.28Å; Q367-V377 HydrophobicContact CB-CG1 4.3Å; V377-S379 PolarHBondContact O-N 2.86Å; V377-L382 HydrophobicContact CG2-CB 3.91Å
378	P	93.6	Very high	88.4	Confident	11 Å²	11	66.1 Å²	66.1	7%	0.071	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57	137.2	167.3	-21.9	33.2	0	0	0	110.7	F304 H380 V381	F304-P378 HydrophobicContact CE1-CG 3.87Å; F304-P378 HydrophobicContact CZ-CG 4.04Å; P378-H380 VanDerWaalsContact CB-CE1 3.45Å; P378-H380 WeakPolarHBondContact CB-CE1 3.37Å; P378-H380 PolarHBondContact O-N 2.89Å; P378-V381 HydrophobicContact CB-CG2 4.2Å; P378-V381 HydrophobicContact CG-CG2 4.25Å; P378-V381 PolarHBondContact O-N 2.99Å
379	S	91.8	Very high	88.7	Confident	28 Å²	28	61.1 Å²	61.1	20%	0.196	33%	0.331	C	S	.	.	H	α-helix	trans	-59.3	-23.2	-174.9	-176.8	0	0	0	0	114.1	K303 V377 Q383	K303-S379 WeakPolarHBondContact O-CB 3.36Å; K303-S379 PolarHBondContact O-N 3.02Å; V377-S379 PolarHBondContact O-N 2.86Å; S379-Q383 WeakPolarHBondContact O-CB 3.47Å; S379-Q383 WeakPolarHBondContact O-CG 3.35Å; S379-Q383 PolarHBondContact O-N 3.23Å; S379-Q383 VanDerWaalsContact O-N 3.1Å; S379-Q383 PolarHBondContact OG-NE2 2.84Å
380	H	92.8	Very high	89.3	Confident	78 Å²	78	59.6 Å²	59.6	36%	0.361	32%	0.317	S	S	.	.	H	α-helix	trans	-71.1	-37	176.9	67.8	-102.6	0	0	0	112	D302 P378 Q383 N384	D302-H380 IonicContact OD1-CE1 2.89Å; D302-H380 PolarHBondContact OD1-CE1 3.29Å; D302-H380 IonicContact OD1-ND1 3.86Å; D302-H380 PolarHBondContact OD1-ND1 2.89Å; P378-H380 VanDerWaalsContact CB-CE1 3.45Å; P378-H380 WeakPolarHBondContact CB-CE1 3.37Å; P378-H380 PolarHBondContact O-N 2.89Å; H380-Q383 PolarHBondContact O-N 3.23Å; H380-N384 VanDerWaalsContact O-CG 3.24Å; H380-N384 PolarHBondContact O-N 2.79Å; H380-N384 PolarHBondContact O-OD1 2.85Å
381	V	93.7	Very high	90.3	Very high	12 Å²	12	60.5 Å²	60.5	7%	0.073	33%	0.328	C	S	.	.	H	α-helix	trans	-62.8	-47.5	176.8	-177.7	0	0	0	0	110.2	V363 H366 P378 Q383 N384 A385	V363-V381 HydrophobicContact CG2-CG1 4.35Å; H366-V381 HydrophobicContact CB-CB 4.47Å; H366-V381 HydrophobicContact CB-CG1 4.07Å; H366-V381 HydrophobicContact CB-CG2 3.96Å; P378-V381 HydrophobicContact CB-CG2 4.2Å; P378-V381 HydrophobicContact CG-CG2 4.25Å; P378-V381 PolarHBondContact O-N 2.99Å; V381-Q383 VanDerWaalsContact C-N 3.31Å; V381-Q383 PolarHBondContact O-N 3.2Å; V381-N384 PolarHBondContact O-N 3.26Å; V381-A385 PolarHBondContact O-N 2.99Å
382	L	91.3	Very high	91.3	Very high	21 Å²	21	50.5 Å²	50.5	11%	0.11	28%	0.284	C	S	.	.	H	α-helix	trans	-65.8	-33.7	177.5	-170.4	61.8	0	0	0	112	V305 P308 L311 V377 H386	V305-L382 HydrophobicContact CG2-CB 4.18Å; V305-L382 HydrophobicContact CG2-CD2 3.72Å; P308-L382 HydrophobicContact CG-CD1 4.37Å; P308-L382 HydrophobicContact CG-CD2 4.44Å; L311-L382 HydrophobicContact CD2-CD1 3.82Å; V377-L382 HydrophobicContact CG2-CB 3.91Å; L382-H386 PolarHBondContact O-N 3.41Å; L382-H386 PolarHBondContact O-ND1 3.46Å
383	Q	91.9	Very high	92.1	Very high	118 Å²	118	45 Å²	45	55%	0.551	26%	0.255	S	S	*	.	H	α-helix	trans	-66.5	-44.7	174.3	-76.1	169.4	26.2	0	0	111.9	S379 H380 V381 A385 H386 V387	S379-Q383 WeakPolarHBondContact O-CB 3.47Å; S379-Q383 WeakPolarHBondContact O-CG 3.35Å; S379-Q383 PolarHBondContact O-N 3.23Å; S379-Q383 VanDerWaalsContact O-N 3.1Å; S379-Q383 PolarHBondContact OG-NE2 2.84Å; H380-Q383 PolarHBondContact O-N 3.23Å; V381-Q383 VanDerWaalsContact C-N 3.31Å; V381-Q383 PolarHBondContact O-N 3.2Å; Q383-A385 PolarHBondContact O-N 3.45Å; Q383-H386 PolarHBondContact O-N 3.23Å; Q383-V387 PolarHBondContact O-N 2.63Å; Q383-V387 VanDerWaalsContact O-N 3.1Å
384	N	94.4	Very high	92.9	Very high	93 Å²	93	44.1 Å²	44.1	50%	0.497	24%	0.238	S	C	.	.	H	α-helix	trans	-58.2	-49.1	175.8	-68.1	-7.1	0	0	0	110.9	H380 V381 H386 V387 D388	H380-N384 VanDerWaalsContact O-CG 3.24Å; H380-N384 PolarHBondContact O-N 2.79Å; H380-N384 PolarHBondContact O-OD1 2.85Å; V381-N384 PolarHBondContact O-N 3.26Å; N384-H386 PolarHBondContact O-N 3.4Å; N384-H386 VanDerWaalsContact O-N 3.14Å; N384-V387 CarbonylContact O-C 3.6Å; N384-V387 WeakPolarHBondContact O-CA 3.44Å; N384-V387 WeakPolarHBondContact O-CB 3.44Å; N384-V387 PolarHBondContact O-N 3.46Å; N384-D388 PolarHBondContact O-N 3.18Å
385	A	93.9	Very high	93.6	Very high	5 Å²	5	43.7 Å²	43.7	4%	0.041	24%	0.237	C	C	.	.	H	α-helix	trans	-54.8	-36	176.8	0	0	0	0	0	113.7	L311 I359 V363 V381 Q383 L389	L311-A385 HydrophobicContact CD1-CB 4.36Å; I359-A385 HydrophobicContact CG2-CB 3.66Å; V363-A385 HydrophobicContact CG2-CB 3.53Å; V381-A385 PolarHBondContact O-N 2.99Å; Q383-A385 PolarHBondContact O-N 3.45Å; A385-L389 WeakPolarHBondContact O-CB 3.44Å; A385-L389 VanDerWaalsContact O-CG 3.28Å; A385-L389 WeakPolarHBondContact O-CG 3.5Å; A385-L389 PolarHBondContact O-N 3.26Å
386	H	92.3	Very high	94	Very high	38 Å²	38	41.9 Å²	41.9	18%	0.176	23%	0.225	C	C	.	.	H	α-helix	trans	-71.6	-34.8	173.7	-75.8	84.6	0	0	0	113.1	R314 L382 Q383 N384 Q390	R314-H386 PolarHBondContact NE-CD2 2.91Å; R314-H386 PolarHBondContact NE-NE2 3.15Å; R314-H386 VanDerWaalsContact NE-NE2 3.15Å; R314-H386 PolarHBondContact NH2-CD2 2.9Å; R314-H386 VanDerWaalsContact NH2-CD2 3.34Å; R314-H386 PolarHBondContact NH2-CE1 3.06Å; R314-H386 VanDerWaalsContact NH2-CE1 3.33Å; R314-H386 PolarHBondContact NH2-NE2 3.39Å; L382-H386 PolarHBondContact O-N 3.41Å; L382-H386 PolarHBondContact O-ND1 3.46Å; Q383-H386 PolarHBondContact O-N 3.23Å; N384-H386 PolarHBondContact O-N 3.4Å; N384-H386 VanDerWaalsContact O-N 3.14Å; H386-Q390 VanDerWaalsContact O-CB 3.23Å; H386-Q390 WeakPolarHBondContact O-CB 3.26Å; H386-Q390 PolarHBondContact O-N 2.69Å
387	V	94.2	Very high	94.3	Very high	95 Å²	95	38.9 Å²	38.9	58%	0.576	21%	0.214	S	C	*	.	H	α-helix	trans	-67.7	-40.4	173.8	173.7	0	0	0	0	110.7	Q383 N384 Q390 S391	Q383-V387 PolarHBondContact O-N 2.63Å; Q383-V387 VanDerWaalsContact O-N 3.1Å; N384-V387 CarbonylContact O-C 3.6Å; N384-V387 WeakPolarHBondContact O-CA 3.44Å; N384-V387 WeakPolarHBondContact O-CB 3.44Å; N384-V387 PolarHBondContact O-N 3.46Å; V387-Q390 WeakPolarHBondContact O-CB 3.36Å; V387-Q390 PolarHBondContact O-N 3.34Å; V387-S391 WeakPolarHBondContact O-CB 3.49Å; V387-S391 PolarHBondContact O-N 2.82Å
388	D	95.3	Very high	94.4	Very high	77 Å²	77	45.7 Å²	45.7	41%	0.412	24%	0.244	S	C	.	.	H	α-helix	trans	-71.9	-41.2	179.8	-66	-43.5	0	0	0	111.9	I359 N384 Q390 S391 L392	I359-D388 HydrophobicContact CD1-CB 3.56Å; I359-D388 HydrophobicContact CG1-CB 3.75Å; N384-D388 PolarHBondContact O-N 3.18Å; D388-Q390 VanDerWaalsContact C-N 3.3Å; D388-Q390 PolarHBondContact O-N 3.4Å; D388-S391 WeakPolarHBondContact O-CB 3.23Å; D388-S391 PolarHBondContact O-N 2.88Å; D388-L392 VanDerWaalsContact O-CB 3.27Å; D388-L392 WeakPolarHBondContact O-CB 3.33Å; D388-L392 PolarHBondContact O-N 2.88Å
389	L	94.3	Very high	94.5	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.01	26%	0.257	C	S	.	.	H	α-helix	trans	-61.1	-39.2	170.4	-75.7	170.7	0	0	0	112	L311 W313 I359 A385 L392 R393	L311-L389 HydrophobicContact CB-CD1 3.68Å; L311-L389 HydrophobicContact CD1-CD1 4.37Å; W313-L389 HydrophobicContact CH2-CD2 4.42Å; W313-L389 HydrophobicContact CZ2-CD2 3.71Å; W313-L389 PolarHBondContact NE1-O 2.92Å; I359-L389 HydrophobicContact CD1-CD2 4.09Å; I359-L389 HydrophobicContact CD1-CG 4.16Å; I359-L389 HydrophobicContact CG2-CG 4.26Å; A385-L389 WeakPolarHBondContact O-CB 3.44Å; A385-L389 VanDerWaalsContact O-CG 3.28Å; A385-L389 WeakPolarHBondContact O-CG 3.5Å; A385-L389 PolarHBondContact O-N 3.26Å; L389-L392 PolarHBondContact O-N 3.37Å; L389-R393 WeakPolarHBondContact O-CB 3.39Å; L389-R393 PolarHBondContact O-N 3.01Å
390	Q	94.8	Very high	94.7	Very high	66 Å²	66	47.1 Å²	47.1	31%	0.308	25%	0.248	S	C	.	.	H	α-helix	trans	-63.9	-44	173.8	170	58.9	5.1	0	0	111.7	H386 V387 D388 M394	H386-Q390 VanDerWaalsContact O-CB 3.23Å; H386-Q390 WeakPolarHBondContact O-CB 3.26Å; H386-Q390 PolarHBondContact O-N 2.69Å; V387-Q390 WeakPolarHBondContact O-CB 3.36Å; V387-Q390 PolarHBondContact O-N 3.34Å; D388-Q390 VanDerWaalsContact C-N 3.3Å; D388-Q390 PolarHBondContact O-N 3.4Å; Q390-M394 WeakPolarHBondContact O-CB 3.32Å; Q390-M394 VanDerWaalsContact O-CG 3.27Å; Q390-M394 WeakPolarHBondContact O-CG 3.48Å; Q390-M394 PolarHBondContact O-N 3.13Å
391	S	95.4	Very high	94.9	Very high	78 Å²	78	46.6 Å²	46.6	55%	0.545	25%	0.246	S	C	.	.	H	α-helix	trans	-61.1	-45.5	175.1	-171.6	0	0	0	0	111.3	V387 D388 M394 S395	V387-S391 WeakPolarHBondContact O-CB 3.49Å; V387-S391 PolarHBondContact O-N 2.82Å; D388-S391 WeakPolarHBondContact O-CB 3.23Å; D388-S391 PolarHBondContact O-N 2.88Å; S391-M394 PolarHBondContact O-N 3.33Å; S391-S395 PolarHBondContact O-N 3.12Å
392	L	96	Very high	95	Very high	7 Å²	7	50.8 Å²	50.8	4%	0.037	27%	0.273	C	S	.	.	H	α-helix	trans	-60.5	-50	178.7	-170	55.5	0	0	0	111.6	L352 K355 H356 I359 D388 L389 M394 S395 V396	L352-L392 HydrophobicContact CD1-CD1 4.41Å; L352-L392 HydrophobicContact CD1-CD2 3.93Å; L352-L392 HydrophobicContact CD1-CG 3.91Å; K355-L392 HydrophobicContact CB-CD1 3.7Å; K355-L392 HydrophobicContact CB-CD2 3.86Å; K355-L392 HydrophobicContact CB-CG 4.42Å; K355-L392 HydrophobicContact CD-CD1 3.69Å; K355-L392 HydrophobicContact CG-CD1 4.33Å; H356-L392 HydrophobicContact CB-CD2 4.25Å; I359-L392 HydrophobicContact CD1-CD2 4.27Å; D388-L392 VanDerWaalsContact O-CB 3.27Å; D388-L392 WeakPolarHBondContact O-CB 3.33Å; D388-L392 PolarHBondContact O-N 2.88Å; L389-L392 PolarHBondContact O-N 3.37Å; L392-M394 PolarHBondContact O-N 3.09Å; L392-S395 WeakPolarHBondContact O-CB 3.45Å; L392-S395 PolarHBondContact O-N 3.17Å; L392-S395 VanDerWaalsContact O-N 3.13Å; L392-S395 PolarHBondContact O-OG 3.34Å; L392-V396 PolarHBondContact O-N 3.47Å
393	R	96.3	Very high	95.1	Very high	1 Å²	1	54 Å²	54	0%	0.004	29%	0.286	C	S	.	.	H	α-helix	trans	-58	-46.2	173.8	178.5	174.6	74.1	169.9	1	112.2	R314 S316 L319 L322 D323 L326 L389 S395 V396 F397	R314-R393 PolarHBondContact O-NH1 2.89Å; S316-R393 PolarHBondContact OG-NH2 3.33Å; L319-R393 HydrophobicContact CD1-CG 4.39Å; L322-R393 HydrophobicContact CD2-CG 3.7Å; L322-R393 HydrophobicContact CG-CG 4.2Å; D323-R393 WeakPolarHBondContact OD1-CD 3.46Å; D323-R393 IonicContact OD1-CZ 3.8Å; D323-R393 IonicContact OD1-NE 2.8Å; D323-R393 IonicContact OD1-NH1 2.73Å; D323-R393 PolarHBondContact OD1-NH1 2.81Å; D323-R393 IonicContact OD2-CZ 2.66Å; D323-R393 IonicContact OD2-NH1 2.73Å; D323-R393 PolarHBondContact OD2-NH1 3.33Å; L326-R393 HydrophobicContact CD1-CB 3.88Å; L326-R393 HydrophobicContact CD1-CG 3.84Å; L389-R393 WeakPolarHBondContact O-CB 3.39Å; L389-R393 PolarHBondContact O-N 3.01Å; R393-S395 PolarHBondContact O-N 2.94Å; R393-V396 PolarHBondContact O-N 3.37Å; R393-F397 PolarHBondContact O-N 3.39Å
394	M	96.3	Very high	95.3	Very high	34 Å²	34	49.7 Å²	49.7	17%	0.167	27%	0.267	C	S	.	.	H	α-helix	trans	-66.8	-24	179.6	-70.2	-53.6	-52.4	0	0	112.8	L319 Q390 S391 L392 F397 K398 L408	L319-M394 HydrophobicContact CD1-SD 4.01Å; Q390-M394 WeakPolarHBondContact O-CB 3.32Å; Q390-M394 VanDerWaalsContact O-CG 3.27Å; Q390-M394 WeakPolarHBondContact O-CG 3.48Å; Q390-M394 PolarHBondContact O-N 3.13Å; S391-M394 PolarHBondContact O-N 3.33Å; L392-M394 PolarHBondContact O-N 3.09Å; M394-F397 HydrophobicContact CE-CB 4.42Å; M394-F397 HydrophobicContact CE-CD1 3.79Å; M394-F397 HydrophobicContact CE-CG 4.3Å; M394-K398 VanDerWaalsContact O-CG 3.23Å; M394-K398 WeakPolarHBondContact O-CG 3.29Å; M394-K398 PolarHBondContact O-N 3.4Å; M394-K398 VanDerWaalsContact O-N 3.14Å; M394-L408 HydrophobicContact CE-CD1 3.98Å; M394-L408 HydrophobicContact CE-CD2 4.08Å; M394-L408 HydrophobicContact SD-CD1 4.19Å
395	S	96.1	Very high	95.2	Very high	47 Å²	47	52.7 Å²	52.7	33%	0.329	28%	0.278	S	S	.	.	H	α-helix	trans	-69	-45.7	170.3	80.8	0	0	0	0	112.1	S391 L392 R393 K398 L399	S391-S395 PolarHBondContact O-N 3.12Å; L392-S395 WeakPolarHBondContact O-CB 3.45Å; L392-S395 PolarHBondContact O-N 3.17Å; L392-S395 VanDerWaalsContact O-N 3.13Å; L392-S395 PolarHBondContact O-OG 3.34Å; R393-S395 PolarHBondContact O-N 2.94Å; S395-K398 PolarHBondContact O-N 2.91Å; S395-L399 WeakPolarHBondContact O-CG 3.46Å; S395-L399 PolarHBondContact O-N 3.49Å
396	V	96.5	Very high	95.1	Very high	2 Å²	2	52.7 Å²	52.7	1%	0.012	28%	0.277	C	S	.	.	H	α-helix	trans	-67.1	-40.1	176.3	-176	0	0	0	0	111.2	L322 L326 L392 R393 K398 L399 L400 L421	L322-V396 HydrophobicContact CD1-CG1 4.03Å; L326-V396 HydrophobicContact CD2-CB 4.3Å; L326-V396 HydrophobicContact CD2-CG1 4.15Å; L326-V396 HydrophobicContact CD2-CG2 4.08Å; L392-V396 PolarHBondContact O-N 3.47Å; R393-V396 PolarHBondContact O-N 3.37Å; V396-K398 PolarHBondContact O-N 2.72Å; V396-L399 PolarHBondContact O-N 3.16Å; V396-L400 HydrophobicContact CG1-CD1 4.11Å; V396-L400 PolarHBondContact O-N 3.41Å; V396-L421 HydrophobicContact CG1-CD1 3.89Å; V396-L421 HydrophobicContact CG1-CD2 3.79Å
397	F	96.7	Very high	95.1	Very high	4 Å²	4	57.4 Å²	57.4	2%	0.018	30%	0.298	C	S	.	.	H	α-helix	trans	-56.1	-47.5	173.3	178.8	-94.5	0	0	0	111.7	L319 W321 L322 R393 M394 L399 L400 Q401 L408	L319-F397 HydrophobicContact CD2-CD2 3.7Å; L319-F397 HydrophobicContact CD2-CE2 3.93Å; W321-F397 HydrophobicContact CH2-CD2 4.02Å; W321-F397 HydrophobicContact CH2-CE2 4.27Å; W321-F397 AromaticContact CZ2-CD2 3.97Å; W321-F397 HydrophobicContact CZ2-CD2 3.97Å; W321-F397 AromaticContact CZ2-CE2 3.96Å; W321-F397 HydrophobicContact CZ2-CE2 3.96Å; L322-F397 HydrophobicContact CD2-CB 3.79Å; L322-F397 HydrophobicContact CD2-CD2 4.37Å; R393-F397 PolarHBondContact O-N 3.39Å; M394-F397 HydrophobicContact CE-CB 4.42Å; M394-F397 HydrophobicContact CE-CD1 3.79Å; M394-F397 HydrophobicContact CE-CG 4.3Å; F397-L399 VanDerWaalsContact C-N 3.28Å; F397-L399 PolarHBondContact O-N 3.48Å; F397-L400 PolarHBondContact O-N 2.81Å; F397-Q401 HydrophobicContact CE1-CB 4.08Å; F397-Q401 HydrophobicContact CE1-CG 4.01Å; F397-Q401 HydrophobicContact CZ-CB 4.23Å; F397-Q401 HydrophobicContact CZ-CG 3.95Å; F397-Q401 WeakPolarHBondContact O-CB 3.27Å; F397-Q401 PolarHBondContact O-N 3.38Å; F397-L408 HydrophobicContact CE1-CB 4.13Å; F397-L408 HydrophobicContact CE1-CD1 4.29Å; F397-L408 HydrophobicContact CZ-CB 4.07Å; F397-L408 HydrophobicContact CZ-CD1 4.32Å
398	K	95.9	Very high	95	Very high	143 Å²	143	56.8 Å²	56.8	62%	0.622	29%	0.29	S	S	*	.	H	α-helix	trans	-60.7	-34	178.6	-76.1	169.2	-179.5	-179.2	0	113.3	M394 S395 V396 P402	M394-K398 VanDerWaalsContact O-CG 3.23Å; M394-K398 WeakPolarHBondContact O-CG 3.29Å; M394-K398 PolarHBondContact O-N 3.4Å; M394-K398 VanDerWaalsContact O-N 3.14Å; S395-K398 PolarHBondContact O-N 2.91Å; V396-K398 PolarHBondContact O-N 2.72Å; K398-P402 WeakPolarHBondContact O-CD 3.41Å
399	L	95.4	Very high	94.7	Very high	69 Å²	69	54.5 Å²	54.5	36%	0.361	29%	0.285	S	S	.	.	H	α-helix	trans	-72.1	-37.9	176.8	-67.9	167.6	0	0	0	112.4	S348 S395 V396 F397 L424	S348-L399 WeakPolarHBondContact OG-CD1 3.44Å; S395-L399 WeakPolarHBondContact O-CG 3.46Å; S395-L399 PolarHBondContact O-N 3.49Å; V396-L399 PolarHBondContact O-N 3.16Å; F397-L399 VanDerWaalsContact C-N 3.28Å; F397-L399 PolarHBondContact O-N 3.48Å; L399-L424 HydrophobicContact CB-CD1 4.22Å
400	L	96.1	Very high	94.3	Very high	0 Å²	0	59 Å²	59	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-79.8	-33.3	178.9	-75.7	174	0	0	0	113.4	W321 L322 V396 F397 K403 L404 A417 L420 L421	W321-L400 HydrophobicContact CZ3-CD1 4.37Å; L322-L400 HydrophobicContact CD1-CD1 4.1Å; V396-L400 HydrophobicContact CG1-CD1 4.11Å; V396-L400 PolarHBondContact O-N 3.41Å; F397-L400 PolarHBondContact O-N 2.81Å; L400-K403 WeakPolarHBondContact O-CA 3.43Å; L400-K403 WeakPolarHBondContact O-CB 3.34Å; L400-K403 PolarHBondContact O-N 3.27Å; L400-L404 HydrophobicContact CB-CD1 4.02Å; L400-L404 PolarHBondContact O-N 2.86Å; L400-A417 HydrophobicContact CD1-CB 4.03Å; L400-A417 WeakPolarHBondContact CD2-O 3.39Å; L400-L420 HydrophobicContact CD2-CB 3.78Å; L400-L421 HydrophobicContact CD2-CB 4.11Å
401	Q	96	Very high	93.9	Very high	66 Å²	66	62.4 Å²	62.4	31%	0.308	32%	0.316	S	S	.	.	H	α-helix	trans	-50.6	-49.5	-173.6	-166.6	-176.3	3.5	0	0	114.6	F397 K403 Q405 C406	F397-Q401 HydrophobicContact CE1-CB 4.08Å; F397-Q401 HydrophobicContact CE1-CG 4.01Å; F397-Q401 HydrophobicContact CZ-CB 4.23Å; F397-Q401 HydrophobicContact CZ-CG 3.95Å; F397-Q401 WeakPolarHBondContact O-CB 3.27Å; F397-Q401 PolarHBondContact O-N 3.38Å; Q401-K403 VanDerWaalsContact C-N 3.28Å; Q401-K403 PolarHBondContact O-N 2.99Å; Q401-Q405 WeakPolarHBondContact O-CA 3.47Å; Q401-Q405 PolarHBondContact O-N 2.9Å; Q401-C406 WeakPolarHBondContact CG-O 3.44Å; Q401-C406 PolarHBondContact NE2-O 3.19Å; Q401-C406 PolarHBondContact O-N 2.9Å
402	P	95.6	Very high	93.8	Very high	100 Å²	100	61 Å²	61	65%	0.649	30%	0.301	S	S	*	.	H	α-helix	trans	-69.8	-23.7	179.1	28.2	-35.6	0	0	0	113.3	K398	K398-P402 WeakPolarHBondContact O-CD 3.41Å
403	K	94.8	Very high	93.8	Very high	90 Å²	90	61.8 Å²	61.8	39%	0.391	31%	0.306	S	S	.	.	H	α-helix	trans	-81.2	-39.3	178.2	-61.5	178.6	178	-72.3	0	112.2	L400 Q401 L420	L400-K403 WeakPolarHBondContact O-CA 3.43Å; L400-K403 WeakPolarHBondContact O-CB 3.34Å; L400-K403 PolarHBondContact O-N 3.27Å; Q401-K403 VanDerWaalsContact C-N 3.28Å; Q401-K403 PolarHBondContact O-N 2.99Å; K403-L420 HydrophobicContact CB-CD1 3.93Å; K403-L420 HydrophobicContact CB-CD2 4.32Å; K403-L420 HydrophobicContact CD-CB 4.27Å; K403-L420 HydrophobicContact CD-CD2 4.4Å
404	L	94.3	Very high	93.8	Very high	26 Å²	26	61.8 Å²	61.8	14%	0.136	31%	0.306	C	S	.	.	H	α-helix	trans	-80.2	-17	174.8	-68.9	171.8	0	0	0	113.1	W321 L400 C406 E412 F416 A417 L420	W321-L404 HydrophobicContact CH2-CD1 4.01Å; W321-L404 HydrophobicContact CZ3-CD1 4.04Å; L400-L404 HydrophobicContact CB-CD1 4.02Å; L400-L404 PolarHBondContact O-N 2.86Å; L404-C406 HydrophobicContact CB-CB 4Å; L404-C406 PolarHBondContact O-N 3.1Å; L404-E412 HydrophobicContact CD1-CG 4.36Å; L404-F416 HydrophobicContact CD2-CB 3.71Å; L404-A417 HydrophobicContact CD1-CB 4.33Å; L404-L420 HydrophobicContact CD2-CD1 3.62Å; L404-L420 HydrophobicContact CG-CD1 4.02Å
405	Q	93.7	Very high	93.9	Very high	156 Å²	156	60.9 Å²	60.9	73%	0.729	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.2	18.1	-170.4	-49.6	-174.8	13.8	0	0	114.1	Q401	Q401-Q405 WeakPolarHBondContact O-CA 3.47Å; Q401-Q405 PolarHBondContact O-N 2.9Å
406	C	91.7	Very high	94	Very high	5 Å²	5	64.3 Å²	64.3	3%	0.034	31%	0.312	C	S	.	.			trans	-83.1	174.6	-172.9	74.1	0	0	0	0	113.1	Q401 L404 E412	Q401-C406 WeakPolarHBondContact CG-O 3.44Å; Q401-C406 PolarHBondContact NE2-O 3.19Å; Q401-C406 PolarHBondContact O-N 2.9Å; L404-C406 HydrophobicContact CB-CB 4Å; L404-C406 PolarHBondContact O-N 3.1Å; C406-E412 HydrophobicContact CB-CG 3.61Å; C406-E412 WeakPolarHBondContact CB-OE1 3.27Å
407	K	91.6	Very high	94	Very high	138 Å²	138	64.2 Å²	64.2	60%	0.6	31%	0.311	S	S	*	.			trans	-132.6	147.1	175.8	-53.3	172.5	-175.3	174.5	0	110.3	G409 Q410	K407-G409 PolarHBondContact O-N 3.13Å; K407-Q410 HydrophobicContact CB-CG 4.14Å; K407-Q410 VanDerWaalsContact CG-OE1 3.27Å; K407-Q410 VanDerWaalsContact O-CB 3.28Å; K407-Q410 WeakPolarHBondContact O-CB 3.44Å; K407-Q410 WeakPolarHBondContact O-CG 3.16Å; K407-Q410 PolarHBondContact O-N 3.24Å
408	L	92.9	Very high	94.1	Very high	81 Å²	81	64.1 Å²	64.1	42%	0.424	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	131.9	175.7	-172.2	62.1	0	0	0	110	N317 L319 M394 F397	N317-L408 HydrophobicContact CB-CD1 3.45Å; N317-L408 VanDerWaalsContact CB-CD1 3.45Å; N317-L408 HydrophobicContact CB-CG 3.81Å; L319-L408 HydrophobicContact CD1-CD1 3.92Å; L319-L408 HydrophobicContact CD2-CD1 4.24Å; L319-L408 HydrophobicContact CG-CD1 4.29Å; M394-L408 HydrophobicContact CE-CD1 3.98Å; M394-L408 HydrophobicContact CE-CD2 4.08Å; M394-L408 HydrophobicContact SD-CD1 4.19Å; F397-L408 HydrophobicContact CE1-CB 4.13Å; F397-L408 HydrophobicContact CE1-CD1 4.29Å; F397-L408 HydrophobicContact CZ-CB 4.07Å; F397-L408 HydrophobicContact CZ-CD1 4.32Å
409	G	87.9	Confident	94.1	Very high	30 Å²	30	59.2 Å²	59.2	31%	0.309	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	91	-11.4	-171.6	0	0	0	0	0	115.3	N317 N318 K407	N317-G409 WeakPolarHBondContact O-CA 3.47Å; N317-G409 PolarHBondContact O-N 3.13Å; N317-G409 VanDerWaalsContact O-N 3.16Å; N318-G409 PolarHBondContact ND2-O 2.79Å; K407-G409 PolarHBondContact O-N 3.13Å
410	Q	87	Confident	94.2	Very high	95 Å²	95	57.4 Å²	57.4	44%	0.444	28%	0.284	S	S	.	.	S	Bend	trans	-87.1	148.6	172.1	-58.6	-169.4	-89.5	0	0	111.2	K407	K407-Q410 HydrophobicContact CB-CG 4.14Å; K407-Q410 VanDerWaalsContact CG-OE1 3.27Å; K407-Q410 VanDerWaalsContact O-CB 3.28Å; K407-Q410 WeakPolarHBondContact O-CB 3.44Å; K407-Q410 WeakPolarHBondContact O-CG 3.16Å; K407-Q410 PolarHBondContact O-N 3.24Å
411	R	85.8	Confident	94.3	Very high	139 Å²	139	57.4 Å²	57.4	53%	0.525	28%	0.284	S	S	.	.			trans	-76.6	131.1	169.3	-70	179.8	173	158.7	-2	109.2	N537	R411-N537 PolarHBondContact NE-O 3.32Å
412	E	94.3	Very high	94.3	Very high	47 Å²	47	54.3 Å²	54.3	22%	0.22	27%	0.27	C	S	.	.			trans	-122.1	-173.5	163.7	-70.1	-62.8	158	0	0	108.5	W321 L404 C406 F539	W321-E412 VanDerWaalsContact CB-O 3.28Å; W321-E412 WeakPolarHBondContact CB-O 3.43Å; W321-E412 HydrophobicContact CD2-CB 3.7Å; W321-E412 HydrophobicContact CE3-CB 4.04Å; W321-E412 HydrophobicContact CG-CB 4.11Å; W321-E412 HydrophobicContact CH2-CB 4.37Å; W321-E412 HydrophobicContact CZ2-CB 4.04Å; W321-E412 HydrophobicContact CZ2-CG 4.25Å; W321-E412 HydrophobicContact CZ3-CB 4.37Å; L404-E412 HydrophobicContact CD1-CG 4.36Å; C406-E412 HydrophobicContact CB-CG 3.61Å; C406-E412 WeakPolarHBondContact CB-OE1 3.27Å; E412-F539 WeakPolarHBondContact O-CE2 3.15Å
413	T	95.3	Very high	94.3	Very high	24 Å²	24	55 Å²	55	15%	0.147	26%	0.263	C	S	.	.			trans	-122.9	145.3	176.4	170	0	0	0	0	111.7	V415 F416 A417	T413-V415 HydrophobicContact CG2-CB 4.12Å; T413-V415 PolarHBondContact O-N 2.81Å; T413-V415 VanDerWaalsContact O-N 3.13Å; T413-V415 WeakPolarHBondContact OG1-CB 3.38Å; T413-V415 WeakPolarHBondContact OG1-CG2 3.49Å; T413-V415 PolarHBondContact OG1-N 2.81Å; T413-V415 VanDerWaalsContact OG1-N 3.1Å; T413-F416 HydrophobicContact CG2-CB 4.31Å; T413-F416 HydrophobicContact CG2-CD2 3.36Å; T413-F416 HydrophobicContact CG2-CE2 3.72Å; T413-F416 HydrophobicContact CG2-CG 3.85Å; T413-F416 HydrophobicContact CG2-CZ 4.47Å; T413-F416 PolarHBondContact O-N 3.31Å; T413-A417 PolarHBondContact O-N 3.06Å
414	P	97	Very high	94.2	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.006	26%	0.259	C	S	.	.	H	α-helix	trans	-51.8	-31	168	-20.6	29.4	0	0	0	112.6	W321 F416 A417 M418 I530 F539	W321-P414 HydrophobicContact CB-CG 4.4Å; W321-P414 WeakPolarHBondContact O-CG 3.18Å; P414-F416 VanDerWaalsContact C-N 3.3Å; P414-F416 PolarHBondContact O-N 2.89Å; P414-A417 PolarHBondContact O-N 3.04Å; P414-M418 WeakPolarHBondContact O-CB 3.43Å; P414-M418 PolarHBondContact O-N 2.76Å; P414-I530 HydrophobicContact CB-CD1 3.87Å; P414-I530 HydrophobicContact CG-CD1 4.09Å; P414-I530 HydrophobicContact CG-CG2 4.24Å; P414-F539 HydrophobicContact CG-CD1 3.98Å; P414-F539 HydrophobicContact CG-CE1 4.16Å; P414-F539 HydrophobicContact CG-CG 4.21Å
415	V	97.8	Very high	94.1	Very high	15 Å²	15	52.5 Å²	52.5	9%	0.091	25%	0.253	C	S	.	.	H	α-helix	trans	-62.8	-32.8	-174.6	179.9	0	0	0	0	113	T413 P419 L457 H502 V575	T413-V415 HydrophobicContact CG2-CB 4.12Å; T413-V415 PolarHBondContact O-N 2.81Å; T413-V415 VanDerWaalsContact O-N 3.13Å; T413-V415 WeakPolarHBondContact OG1-CB 3.38Å; T413-V415 WeakPolarHBondContact OG1-CG2 3.49Å; T413-V415 PolarHBondContact OG1-N 2.81Å; T413-V415 VanDerWaalsContact OG1-N 3.1Å; V415-P419 WeakPolarHBondContact O-CD 3.49Å; V415-L457 HydrophobicContact CB-CD2 4.37Å; V415-L457 HydrophobicContact CG1-CD2 4.2Å; V415-H502 HydrophobicContact CG1-CB 4.38Å; V415-H502 HydrophobicContact CG2-CB 4.16Å; V415-H502 VanDerWaalsContact CG2-CD2 3.43Å; V415-H502 WeakPolarHBondContact CG2-CD2 3.36Å; V415-V575 HydrophobicContact CG2-CG2 4.09Å
416	F	96.9	Very high	94.1	Very high	119 Å²	119	49.3 Å²	49.3	52%	0.522	25%	0.248	S	C	.	.	H	α-helix	trans	-92.7	-36.5	173.8	-57.9	-36.8	0	0	0	111.9	L404 T413 P414 L420	L404-F416 HydrophobicContact CD2-CB 3.71Å; T413-F416 HydrophobicContact CG2-CB 4.31Å; T413-F416 HydrophobicContact CG2-CD2 3.36Å; T413-F416 HydrophobicContact CG2-CE2 3.72Å; T413-F416 HydrophobicContact CG2-CG 3.85Å; T413-F416 HydrophobicContact CG2-CZ 4.47Å; T413-F416 PolarHBondContact O-N 3.31Å; P414-F416 VanDerWaalsContact C-N 3.3Å; P414-F416 PolarHBondContact O-N 2.89Å; F416-L420 WeakPolarHBondContact O-CD1 3.22Å; F416-L420 VanDerWaalsContact O-CG 3.31Å; F416-L420 WeakPolarHBondContact O-CG 3.24Å
417	A	97.4	Very high	94.2	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-64.7	-40.6	-179.8	0	0	0	0	0	113	W321 L325 L400 L404 T413 P414 L421	W321-A417 HydrophobicContact CE3-CB 3.87Å; W321-A417 HydrophobicContact CZ3-CB 3.66Å; L325-A417 HydrophobicContact CD2-CB 3.76Å; L400-A417 HydrophobicContact CD1-CB 4.03Å; L400-A417 WeakPolarHBondContact CD2-O 3.39Å; L404-A417 HydrophobicContact CD1-CB 4.33Å; T413-A417 PolarHBondContact O-N 3.06Å; P414-A417 PolarHBondContact O-N 3.04Å; A417-L421 WeakPolarHBondContact O-CB 3.16Å; A417-L421 PolarHBondContact O-N 2.94Å
418	M	98.1	Very high	94.4	Very high	3 Å²	3	43.6 Å²	43.6	2%	0.015	22%	0.222	C	C	.	.	H	α-helix	trans	-65.5	-57.3	-173.6	179	-85.5	-150.4	0	0	112	L325 P414 L420 L421 L422 F432 L457 A500 F577	L325-M418 HydrophobicContact CD1-CB 3.65Å; L325-M418 HydrophobicContact CD1-CG 3.74Å; L325-M418 HydrophobicContact CD2-CB 4Å; P414-M418 WeakPolarHBondContact O-CB 3.43Å; P414-M418 PolarHBondContact O-N 2.76Å; M418-L420 PolarHBondContact O-N 2.85Å; M418-L420 VanDerWaalsContact O-N 3.17Å; M418-L421 PolarHBondContact O-N 3.09Å; M418-L422 HydrophobicContact CE-CD1 3.68Å; M418-L422 HydrophobicContact CG-CD1 4.19Å; M418-L422 HydrophobicContact CG-CG 4.38Å; M418-L422 WeakPolarHBondContact O-CG 3.36Å; M418-L422 PolarHBondContact O-N 2.83Å; M418-L422 HydrophobicContact SD-CD1 3.49Å; M418-L422 WeakPolarHBondContact SD-CD1 3.28Å; M418-L422 HydrophobicContact SD-CG 4.17Å; M418-F432 HydrophobicContact CE-CD1 3.59Å; M418-F432 HydrophobicContact CE-CE1 4.01Å; M418-F432 HydrophobicContact CE-CG 4.37Å; M418-L457 HydrophobicContact CE-CB 4.26Å; M418-L457 HydrophobicContact SD-CB 3.97Å; M418-L457 HydrophobicContact SD-CD2 4.17Å; M418-A500 HydrophobicContact CE-CB 3.83Å; M418-F577 HydrophobicContact CE-CE1 3.93Å
419	P	97.7	Very high	94.5	Very high	39 Å²	39	41.8 Å²	41.8	25%	0.253	21%	0.211	S	C	.	.	H	α-helix	trans	-57.4	-36	178	-26.5	36.6	0	0	0	113.7	V415 K423 L457	V415-P419 WeakPolarHBondContact O-CD 3.49Å; P419-K423 VanDerWaalsContact O-CB 3.26Å; P419-K423 WeakPolarHBondContact O-CB 3.28Å; P419-K423 PolarHBondContact O-N 2.62Å; P419-K423 VanDerWaalsContact O-N 3.11Å; P419-L457 HydrophobicContact CG-CB 4.08Å
420	L	97.4	Very high	94.9	Very high	31 Å²	31	48.1 Å²	48.1	16%	0.162	23%	0.226	C	C	.	.	H	α-helix	trans	-71	-29	177.8	-67.7	174	0	0	0	113.5	L400 K403 L404 F416 M418 L971	L400-L420 HydrophobicContact CD2-CB 3.78Å; K403-L420 HydrophobicContact CB-CD1 3.93Å; K403-L420 HydrophobicContact CB-CD2 4.32Å; K403-L420 HydrophobicContact CD-CB 4.27Å; K403-L420 HydrophobicContact CD-CD2 4.4Å; L404-L420 HydrophobicContact CD2-CD1 3.62Å; L404-L420 HydrophobicContact CG-CD1 4.02Å; F416-L420 WeakPolarHBondContact O-CD1 3.22Å; F416-L420 VanDerWaalsContact O-CG 3.31Å; F416-L420 WeakPolarHBondContact O-CG 3.24Å; M418-L420 PolarHBondContact O-N 2.85Å; M418-L420 VanDerWaalsContact O-N 3.17Å; L420-L971 HydrophobicContact CD2-CD1 4.04Å; L420-L971 HydrophobicContact CD2-CD2 4.49Å
421	L	96.8	Very high	95.4	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-78.8	-44.8	175.5	-179	52.7	0	0	0	111.3	L325 L329 V349 V396 L400 A417 M418 K423 L424	L325-L421 HydrophobicContact CD2-CD2 4.23Å; L329-L421 HydrophobicContact CD1-CD2 3.54Å; L329-L421 HydrophobicContact CD1-CG 4.4Å; V349-L421 HydrophobicContact CG2-CD1 4Å; V349-L421 HydrophobicContact CG2-CG 3.94Å; V396-L421 HydrophobicContact CG1-CD1 3.89Å; V396-L421 HydrophobicContact CG1-CD2 3.79Å; L400-L421 HydrophobicContact CD2-CB 4.11Å; A417-L421 WeakPolarHBondContact O-CB 3.16Å; A417-L421 PolarHBondContact O-N 2.94Å; M418-L421 PolarHBondContact O-N 3.09Å; L421-K423 VanDerWaalsContact C-N 3.35Å; L421-K423 PolarHBondContact O-N 3.09Å; L421-L424 HydrophobicContact CD1-CD1 4.22Å; L421-L424 WeakPolarHBondContact O-CB 3.46Å; L421-L424 PolarHBondContact O-N 2.9Å
422	L	96.5	Very high	96	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-64.8	-39.3	179.3	-53.7	-176.9	0	0	0	111.5	L329 M418 L424 D425 V428 F432 T456	L329-L422 HydrophobicContact CD2-CD2 3.89Å; M418-L422 HydrophobicContact CE-CD1 3.68Å; M418-L422 HydrophobicContact CG-CD1 4.19Å; M418-L422 HydrophobicContact CG-CG 4.38Å; M418-L422 WeakPolarHBondContact O-CG 3.36Å; M418-L422 PolarHBondContact O-N 2.83Å; M418-L422 HydrophobicContact SD-CD1 3.49Å; M418-L422 WeakPolarHBondContact SD-CD1 3.28Å; M418-L422 HydrophobicContact SD-CG 4.17Å; L422-L424 PolarHBondContact O-N 2.71Å; L422-L424 VanDerWaalsContact O-N 3.13Å; L422-D425 CarbonylContact O-C 3.59Å; L422-D425 PolarHBondContact O-N 3.43Å; L422-D425 VanDerWaalsContact O-O 3.14Å; L422-V428 HydrophobicContact CB-CG1 4.07Å; L422-V428 HydrophobicContact CD2-CG1 3.35Å; L422-V428 HydrophobicContact CG-CG1 4.17Å; L422-F432 HydrophobicContact CD1-CB 3.61Å; L422-F432 HydrophobicContact CD1-CD1 3.89Å; L422-F432 HydrophobicContact CD1-CD2 3.67Å; L422-F432 HydrophobicContact CD1-CE1 4.46Å; L422-F432 HydrophobicContact CD1-CE2 4.29Å; L422-F432 HydrophobicContact CD1-CG 3.45Å; L422-F432 VanDerWaalsContact CD1-CG 3.45Å; L422-F432 HydrophobicContact CD2-CD2 4.2Å; L422-F432 HydrophobicContact CD2-CE2 4.12Å; L422-T456 HydrophobicContact CD1-CG2 4.11Å
423	K	94.6	Very high	96.2	Very high	116 Å²	116	38.4 Å²	38.4	50%	0.504	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-1.5	177.6	-171	158.1	-168.2	163.1	0	114.7	P419 L421 D425 E429	P419-K423 VanDerWaalsContact O-CB 3.26Å; P419-K423 WeakPolarHBondContact O-CB 3.28Å; P419-K423 PolarHBondContact O-N 2.62Å; P419-K423 VanDerWaalsContact O-N 3.11Å; L421-K423 VanDerWaalsContact C-N 3.35Å; L421-K423 PolarHBondContact O-N 3.09Å; K423-D425 VanDerWaalsContact C-N 3.35Å; K423-E429 VanDerWaalsContact CD-OE1 3.29Å; K423-E429 WeakPolarHBondContact CD-OE1 3.24Å; K423-E429 WeakPolarHBondContact CG-OE1 3.2Å
424	L	92.7	Very high	96.3	Very high	59 Å²	59	37.3 Å²	37.3	31%	0.309	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-26.6	164.7	-71.1	172.2	0	0	0	112.1	L399 L421 L422	L399-L424 HydrophobicContact CB-CD1 4.22Å; L421-L424 HydrophobicContact CD1-CD1 4.22Å; L421-L424 WeakPolarHBondContact O-CB 3.46Å; L421-L424 PolarHBondContact O-N 2.9Å; L422-L424 PolarHBondContact O-N 2.71Å; L422-L424 VanDerWaalsContact O-N 3.13Å
425	D	93.5	Very high	96.4	Very high	4 Å²	4	37.9 Å²	37.9	2%	0.021	18%	0.184	C	C	.	.			trans	-126.2	93.9	-167	-72.5	23.4	0	0	0	109.3	S347 S348 V349 W350 L422 K423 W427 V428 E429	S347-D425 WeakPolarHBondContact CA-OD1 3.23Å; S347-D425 WeakPolarHBondContact CA-OD2 3.48Å; S347-D425 WeakPolarHBondContact CB-OD2 3.45Å; S347-D425 VanDerWaalsContact OG-CG 3.22Å; S347-D425 PolarHBondContact OG-OD2 2.96Å; S348-D425 VanDerWaalsContact N-CG 3.3Å; S348-D425 PolarHBondContact N-OD1 2.99Å; S348-D425 PolarHBondContact N-OD2 3.33Å; V349-D425 WeakPolarHBondContact CB-OD2 3.17Å; V349-D425 PolarHBondContact N-OD2 3.05Å; W350-D425 PolarHBondContact N-OD2 3.47Å; L422-D425 CarbonylContact O-C 3.59Å; L422-D425 PolarHBondContact O-N 3.43Å; L422-D425 VanDerWaalsContact O-O 3.14Å; K423-D425 VanDerWaalsContact C-N 3.35Å; D425-W427 PolarHBondContact O-N 2.64Å; D425-V428 HydrophobicContact CB-CB 3.93Å; D425-V428 HydrophobicContact CB-CG2 3.84Å; D425-V428 WeakPolarHBondContact O-CA 3.34Å; D425-V428 WeakPolarHBondContact O-CB 3.37Å; D425-V428 PolarHBondContact O-N 3.05Å; D425-E429 PolarHBondContact O-N 2.74Å
426	S	92.5	Very high	96.4	Very high	89 Å²	89	37.3 Å²	37.3	62%	0.622	18%	0.18	S	C	*	.	H	α-helix	trans	-64.9	-7.1	-174	63.9	0	0	0	0	115.8	R430	S426-R430 PolarHBondContact O-NE 3.22Å
427	W	93.6	Very high	96.4	Very high	23 Å²	23	33.3 Å²	33.3	9%	0.087	16%	0.164	C	C	.	.	H	α-helix	trans	-83.7	-31.3	166.3	75.9	-90.9	0	0	0	112.2	L335 R339 P340 S347 W350 L353 D425 L431	L335-W427 HydrophobicContact CD2-CH2 3.86Å; L335-W427 HydrophobicContact CD2-CZ3 3.87Å; R339-W427 HydrophobicContact CB-CH2 4.17Å; R339-W427 HydrophobicContact CB-CZ3 4.44Å; R339-W427 HydrophobicContact CG-CH2 4.08Å; R339-W427 HydrophobicContact CG-CZ2 4.46Å; P340-W427 VanDerWaalsContact CD-CE3 3.49Å; P340-W427 HydrophobicContact CG-CB 4.38Å; P340-W427 HydrophobicContact CG-CD2 3.95Å; P340-W427 HydrophobicContact CG-CE3 4.23Å; P340-W427 HydrophobicContact CG-CG 4.03Å; S347-W427 PolarHBondContact OG-NE1 2.82Å; W350-W427 HydrophobicContact CB-CZ2 3.85Å; W350-W427 AromaticContact CD1-CZ2 3.71Å; W350-W427 HydrophobicContact CG-CZ2 4.17Å; L353-W427 HydrophobicContact CD1-CH2 4.07Å; D425-W427 PolarHBondContact O-N 2.64Å; W427-L431 HydrophobicContact CE3-CD1 3.92Å; W427-L431 HydrophobicContact CZ3-CD1 3.82Å; W427-L431 WeakPolarHBondContact O-CG 3.36Å
428	V	95.9	Very high	96.4	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-80.3	-43.5	176.3	174.8	0	0	0	0	111.6	L335 V349 L422 D425 R430 L431 F432	L335-V428 HydrophobicContact CD2-CB 4.47Å; L335-V428 HydrophobicContact CD2-CG1 4.04Å; L335-V428 HydrophobicContact CD2-CG2 3.9Å; V349-V428 HydrophobicContact CB-CG2 3.96Å; V349-V428 HydrophobicContact CG1-CG2 4.03Å; V349-V428 HydrophobicContact CG2-CG2 4.45Å; L422-V428 HydrophobicContact CB-CG1 4.07Å; L422-V428 HydrophobicContact CD2-CG1 3.35Å; L422-V428 HydrophobicContact CG-CG1 4.17Å; D425-V428 HydrophobicContact CB-CB 3.93Å; D425-V428 HydrophobicContact CB-CG2 3.84Å; D425-V428 WeakPolarHBondContact O-CA 3.34Å; D425-V428 WeakPolarHBondContact O-CB 3.37Å; D425-V428 PolarHBondContact O-N 3.05Å; V428-R430 PolarHBondContact O-N 2.9Å; V428-L431 WeakPolarHBondContact O-CB 3.47Å; V428-L431 PolarHBondContact O-N 3.4Å; V428-F432 HydrophobicContact CG1-CD2 4.13Å; V428-F432 HydrophobicContact CG1-CE2 4.08Å
429	E	96.7	Very high	96.3	Very high	42 Å²	42	38.6 Å²	38.6	20%	0.196	19%	0.187	C	C	.	.	H	α-helix	trans	-52.5	-43.7	-179.2	-169.2	169.3	-157.3	0	0	111.2	K423 D425 L431 F432 Q433 T456	K423-E429 VanDerWaalsContact CD-OE1 3.29Å; K423-E429 WeakPolarHBondContact CD-OE1 3.24Å; K423-E429 WeakPolarHBondContact CG-OE1 3.2Å; D425-E429 PolarHBondContact O-N 2.74Å; E429-L431 VanDerWaalsContact C-N 3.28Å; E429-L431 PolarHBondContact O-N 2.71Å; E429-F432 PolarHBondContact O-N 2.8Å; E429-F432 VanDerWaalsContact O-N 3.14Å; E429-Q433 VanDerWaalsContact O-CB 3.23Å; E429-Q433 WeakPolarHBondContact O-CB 3.28Å; E429-Q433 PolarHBondContact O-N 2.94Å; E429-T456 HydrophobicContact CG-CG2 3.89Å
430	R	96	Very high	96.3	Very high	163 Å²	163	37.4 Å²	37.4	62%	0.615	18%	0.178	S	C	*	.	H	α-helix	trans	-66.9	-17.2	176.4	-68.8	-177.1	-67.6	130.9	-2.9	115.5	S426 V428 F432	S426-R430 PolarHBondContact O-NE 3.22Å; V428-R430 PolarHBondContact O-N 2.9Å; R430-F432 VanDerWaalsContact C-N 3.35Å
431	L	97.4	Very high	96.3	Very high	18 Å²	18	43.1 Å²	43.1	9%	0.094	20%	0.202	C	C	.	.	H	α-helix	trans	-83.5	-14.1	174.9	-64	177.2	0	0	0	112.8	L335 L338 W427 V428 E429 P497 V498	L335-L431 HydrophobicContact CD2-CD1 4.04Å; L338-L431 HydrophobicContact CB-CD1 4.06Å; L338-L431 HydrophobicContact CB-CD2 4.15Å; L338-L431 HydrophobicContact CD1-CD2 3.54Å; L338-L431 HydrophobicContact CG-CD2 4.49Å; W427-L431 HydrophobicContact CE3-CD1 3.92Å; W427-L431 HydrophobicContact CZ3-CD1 3.82Å; W427-L431 WeakPolarHBondContact O-CG 3.36Å; V428-L431 WeakPolarHBondContact O-CB 3.47Å; V428-L431 PolarHBondContact O-N 3.4Å; E429-L431 VanDerWaalsContact C-N 3.28Å; E429-L431 PolarHBondContact O-N 2.71Å; L431-P497 HydrophobicContact CD2-CB 4.42Å; L431-P497 HydrophobicContact CD2-CG 3.99Å; L431-V498 PolarHBondContact O-N 2.61Å
432	F	98.2	Very high	96.3	Very high	1 Å²	1	43 Å²	43	0%	0.004	20%	0.201	C	C	.	.	H	α-helix	trans	-119.2	-18	179.2	-69.9	-101.1	0	0	0	113.9	L329 L335 M418 L422 V428 E429 R430 A434 T456 V498 A500 F577	L329-F432 HydrophobicContact CD2-CZ 4.04Å; L335-F432 HydrophobicContact CD1-CE2 3.83Å; L335-F432 HydrophobicContact CD1-CZ 3.86Å; L335-F432 HydrophobicContact CD2-CE2 4.27Å; L335-F432 HydrophobicContact CG-CE2 3.96Å; L335-F432 HydrophobicContact CG-CZ 4.32Å; M418-F432 HydrophobicContact CE-CD1 3.59Å; M418-F432 HydrophobicContact CE-CE1 4.01Å; M418-F432 HydrophobicContact CE-CG 4.37Å; L422-F432 HydrophobicContact CD1-CB 3.61Å; L422-F432 HydrophobicContact CD1-CD1 3.89Å; L422-F432 HydrophobicContact CD1-CD2 3.67Å; L422-F432 HydrophobicContact CD1-CE1 4.46Å; L422-F432 HydrophobicContact CD1-CE2 4.29Å; L422-F432 HydrophobicContact CD1-CG 3.45Å; L422-F432 VanDerWaalsContact CD1-CG 3.45Å; L422-F432 HydrophobicContact CD2-CD2 4.2Å; L422-F432 HydrophobicContact CD2-CE2 4.12Å; V428-F432 HydrophobicContact CG1-CD2 4.13Å; V428-F432 HydrophobicContact CG1-CE2 4.08Å; E429-F432 PolarHBondContact O-N 2.8Å; E429-F432 VanDerWaalsContact O-N 3.14Å; R430-F432 VanDerWaalsContact C-N 3.35Å; F432-A434 PolarHBondContact O-N 2.99Å; F432-A434 VanDerWaalsContact O-N 3.09Å; F432-T456 HydrophobicContact CB-CG2 3.94Å; F432-T456 WeakPolarHBondContact O-CA 3.42Å; F432-V498 WeakPolarHBondContact CA-O 2.82Å; F432-V498 HydrophobicContact CD1-CB 3.88Å; F432-V498 HydrophobicContact CD1-CG1 3.83Å; F432-V498 HydrophobicContact CD2-CB 4.44Å; F432-V498 HydrophobicContact CE1-CB 3.74Å; F432-V498 HydrophobicContact CE1-CG1 3.33Å; F432-V498 HydrophobicContact CE1-CG2 4.41Å; F432-V498 HydrophobicContact CE2-CB 4.29Å; F432-V498 HydrophobicContact CE2-CG2 4.28Å; F432-V498 HydrophobicContact CG-CB 4.24Å; F432-V498 HydrophobicContact CZ-CB 3.95Å; F432-V498 HydrophobicContact CZ-CG1 3.78Å; F432-V498 HydrophobicContact CZ-CG2 4.13Å; F432-A500 HydrophobicContact CD1-CB 4.4Å; F432-F577 HydrophobicContact CE1-CD1 4.17Å; F432-F577 HydrophobicContact CE1-CE1 4.14Å
433	Q	98	Very high	96.3	Very high	59 Å²	59	45.9 Å²	45.9	28%	0.276	22%	0.221	S	C	.	.			trans	-70.3	102.9	-176.7	-177.4	177.6	16.9	0	0	111.4	E429 E454 T456	E429-Q433 VanDerWaalsContact O-CB 3.23Å; E429-Q433 WeakPolarHBondContact O-CB 3.28Å; E429-Q433 PolarHBondContact O-N 2.94Å; Q433-E454 HydrophobicContact CG-CB 4.25Å; Q433-E454 PolarHBondContact NE2-OE2 3.16Å; Q433-T456 HydrophobicContact CB-CG2 4.23Å
434	A	97.8	Very high	96.4	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	147.9	171.3	0	0	0	0	0	111.2	F432 F436 E454 K455 P496 F499	F432-A434 PolarHBondContact O-N 2.99Å; F432-A434 VanDerWaalsContact O-N 3.09Å; A434-F436 HydrophobicContact CB-CD1 4.29Å; A434-E454 VanDerWaalsContact O-CA 3.32Å; A434-E454 WeakPolarHBondContact O-CA 3.47Å; A434-K455 PolarHBondContact N-O 3.36Å; A434-K455 PolarHBondContact O-N 2.84Å; A434-K455 VanDerWaalsContact O-N 3.09Å; A434-P496 HydrophobicContact CB-CG 4.29Å; A434-F499 HydrophobicContact CB-CD2 3.85Å; A434-F499 HydrophobicContact CB-CE2 3.78Å
435	T	98.3	Very high	96.6	Very high	14 Å²	14	42.7 Å²	42.7	9%	0.086	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	130.4	174.8	-51.1	0	0	0	0	109.1	R452 E454 E493 S494	T435-R452 HydrophobicContact CG2-CG 4.43Å; T435-R452 VanDerWaalsContact CG2-CZ 3.42Å; T435-E454 HydrophobicContact CG2-CG 3.98Å; T435-E493 HydrophobicContact CG2-CB 3.95Å; T435-E493 HydrophobicContact CG2-CG 4.18Å; T435-E493 WeakPolarHBondContact O-CB 3.11Å; T435-E493 PolarHBondContact O-N 2.86Å; T435-S494 PolarHBondContact N-O 2.92Å; T435-S494 PolarHBondContact O-N 2.87Å
436	F	97.9	Very high	96.8	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.009	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	165	-177.7	49.7	-88.1	0	0	0	111.5	A434 W438 V453 K455 P458 M490 S491 L492	A434-F436 HydrophobicContact CB-CD1 4.29Å; F436-W438 AromaticContact CE2-NE1 3.64Å; F436-V453 HydrophobicContact CD2-CB 4.11Å; F436-V453 HydrophobicContact CE1-CG1 4.49Å; F436-V453 HydrophobicContact CE2-CB 3.6Å; F436-V453 HydrophobicContact CE2-CG1 3.66Å; F436-V453 HydrophobicContact CZ-CB 3.97Å; F436-V453 HydrophobicContact CZ-CG1 3.59Å; F436-V453 PolarHBondContact N-O 2.94Å; F436-V453 PolarHBondContact O-N 2.95Å; F436-K455 HydrophobicContact CE1-CB 4.25Å; F436-K455 HydrophobicContact CZ-CB 4.22Å; F436-K455 HydrophobicContact CZ-CG 4.05Å; F436-P458 HydrophobicContact CD1-CG 4.42Å; F436-P458 HydrophobicContact CE1-CB 4.34Å; F436-P458 HydrophobicContact CE1-CG 3.52Å; F436-P458 HydrophobicContact CZ-CB 4.05Å; F436-P458 HydrophobicContact CZ-CG 3.71Å; F436-M490 HydrophobicContact CB-CG 3.66Å; F436-M490 HydrophobicContact CB-SD 4.11Å; F436-M490 HydrophobicContact CD1-SD 4.09Å; F436-M490 HydrophobicContact CD2-CG 3.55Å; F436-M490 HydrophobicContact CD2-SD 3.73Å; F436-M490 HydrophobicContact CE2-CG 4.37Å; F436-M490 HydrophobicContact CE2-SD 4.13Å; F436-M490 HydrophobicContact CG-CG 3.7Å; F436-M490 HydrophobicContact CG-SD 3.69Å; F436-S491 CarbonylContact C-O 3.6Å; F436-S491 WeakPolarHBondContact CA-O 3.14Å; F436-S491 WeakPolarHBondContact CB-O 3.47Å; F436-L492 HydrophobicContact CB-CD2 4.35Å
437	L	97.8	Very high	97	Very high	35 Å²	35	48 Å²	48	18%	0.183	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	126.9	173	-65	141.4	0	0	0	109	K450 E451 R452 M490 S491	L437-K450 HydrophobicContact CD2-CG 4.14Å; L437-E451 CarbonylContact C-O 3.53Å; L437-E451 VanDerWaalsContact CA-O 3.28Å; L437-E451 WeakPolarHBondContact CA-O 3.4Å; L437-R452 HydrophobicContact CD2-CB 3.65Å; L437-R452 HydrophobicContact CD2-CG 4.1Å; L437-R452 HydrophobicContact CG-CB 4.47Å; L437-R452 HydrophobicContact CG-CG 4.5Å; L437-M490 WeakPolarHBondContact O-CA 3.36Å; L437-S491 PolarHBondContact N-O 2.73Å; L437-S491 PolarHBondContact O-N 3.28Å
438	W	97.1	Very high	97.1	Very high	35 Å²	35	51.3 Å²	51.3	13%	0.133	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	121.6	163.2	-81.7	121.9	0	0	0	109.2	F436 K450 E451 F460 H474 R488 M490	F436-W438 AromaticContact CE2-NE1 3.64Å; W438-K450 VanDerWaalsContact O-CA 3.27Å; W438-K450 WeakPolarHBondContact O-CA 3.32Å; W438-E451 PolarHBondContact N-O 2.82Å; W438-E451 PolarHBondContact O-N 2.78Å; W438-F460 HydrophobicContact CH2-CD1 4.31Å; W438-F460 AromaticContact CH2-CE1 3.63Å; W438-F460 HydrophobicContact CH2-CE1 3.63Å; W438-F460 HydrophobicContact CH2-CE2 4.35Å; W438-F460 AromaticContact CH2-CZ 3.64Å; W438-F460 HydrophobicContact CH2-CZ 3.64Å; W438-F460 HydrophobicContact CZ2-CZ 4.4Å; W438-F460 HydrophobicContact CZ3-CE1 4.24Å; W438-F460 HydrophobicContact CZ3-CZ 4.4Å; W438-H474 AromaticContact CH2-CE1 3.31Å; W438-H474 WeakPolarHBondContact CH2-CE1 3.43Å; W438-H474 AromaticContact CH2-ND1 3.35Å; W438-H474 VanDerWaalsContact CH2-ND1 3.35Å; W438-H474 WeakPolarHBondContact CH2-ND1 3.47Å; W438-H474 AromaticContact CZ2-CE1 3.92Å; W438-H474 AromaticContact CZ3-CE1 3.54Å; W438-H474 AromaticContact CZ3-ND1 3.61Å; W438-R488 HydrophobicContact CE3-CB 4.08Å; W438-R488 HydrophobicContact CZ3-CB 4.16Å; W438-M490 HydrophobicContact CD2-CB 4.48Å; W438-M490 HydrophobicContact CE3-CB 3.99Å; W438-M490 HydrophobicContact CH2-CB 3.89Å; W438-M490 HydrophobicContact CZ2-CB 4.42Å; W438-M490 HydrophobicContact CZ3-CB 3.67Å
439	E	96.8	Very high	97.1	Very high	79 Å²	79	53.9 Å²	53.9	37%	0.369	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	131.7	171.1	-59.9	-162.4	145.4	0	0	110.7	K450 R488 T489	E439-K450 HydrophobicContact CG-CD 4.11Å; E439-K450 HydrophobicContact CG-CG 4.24Å; E439-K450 WeakPolarHBondContact OE1-CD 3.11Å; E439-K450 VanDerWaalsContact OE1-CE 3.23Å; E439-K450 WeakPolarHBondContact OE1-CE 3.24Å; E439-K450 IonicContact OE1-NZ 3.47Å; E439-K450 PolarHBondContact OE1-NZ 3.39Å; E439-R488 WeakPolarHBondContact O-CA 3.28Å; E439-T489 PolarHBondContact N-O 3.38Å; E439-T489 PolarHBondContact O-N 3.22Å
440	F	96.9	Very high	97	Very high	15 Å²	15	57.8 Å²	57.8	7%	0.066	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	140.6	178	169.3	-100	0	0	0	110.8	C442 V448 T449 C478 E486 R488	F440-C442 HydrophobicContact CE1-CB 3.96Å; F440-C442 HydrophobicContact CZ-CB 3.74Å; F440-V448 CarbonylContact O-C 3.59Å; F440-V448 VanDerWaalsContact O-CA 3.29Å; F440-V448 WeakPolarHBondContact O-CA 3.47Å; F440-T449 PolarHBondContact N-O 3.37Å; F440-T449 PolarHBondContact O-N 2.99Å; F440-C478 HydrophobicContact CZ-CB 3.81Å; F440-E486 HydrophobicContact CE2-CB 3.67Å; F440-E486 HydrophobicContact CZ-CB 4.33Å; F440-R488 HydrophobicContact CB-CG 4.22Å; F440-R488 HydrophobicContact CD2-CG 3.7Å; F440-R488 HydrophobicContact CG-CG 4.31Å
441	K	96.6	Very high	97	Very high	150 Å²	150	54.3 Å²	54.3	65%	0.652	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.8	106.8	177	175.8	165.2	-177.2	177.7	0	110.1	S443 V447 V448	K441-S443 PolarHBondContact O-N 3.43Å; K441-V447 WeakPolarHBondContact CA-O 3.38Å; K441-V448 HydrophobicContact CB-CG2 4.13Å; K441-V448 HydrophobicContact CD-CG2 4.03Å; K441-V448 HydrophobicContact CG-CG2 3.82Å
442	C	97.3	Very high	97	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	30%	0.301	C	S	.	.			trans	-69.8	119.6	179.3	-172.4	0	0	0	0	111.3	F440 A444 C445 K446 V447 C478 E486	F440-C442 HydrophobicContact CE1-CB 3.96Å; F440-C442 HydrophobicContact CZ-CB 3.74Å; C442-A444 PolarHBondContact O-N 2.8Å; C442-A444 PolarHBondContact SG-N 3.36Å; C442-C445 VanDerWaalsContact SG-SG 3.63Å; C442-K446 WeakPolarHBondContact O-CA 3.39Å; C442-K446 PolarHBondContact O-N 3.29Å; C442-V447 PolarHBondContact N-O 3.29Å; C442-C478 HydrophobicContact CB-CB 4.35Å; C442-C478 VanDerWaalsContact SG-SG 3.68Å; C442-E486 WeakPolarHBondContact CA-OE2 3.17Å
443	S	96.9	Very high	97	Very high	59 Å²	59	60.3 Å²	60.3	41%	0.413	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-23.8	176.5	66.1	0	0	0	0	113.6	K441 K446 K483 E486	K441-S443 PolarHBondContact O-N 3.43Å; S443-K446 PolarHBondContact O-NZ 3.32Å; S443-K483 PolarHBondContact OG-NZ 2.95Å; S443-E486 WeakPolarHBondContact CB-OE2 3.48Å; S443-E486 PolarHBondContact N-OE2 2.93Å; S443-E486 PolarHBondContact OG-OE1 3.16Å; S443-E486 PolarHBondContact OG-OE2 3.22Å
444	A	96.9	Very high	97	Very high	54 Å²	54	61.3 Å²	61.3	45%	0.446	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-78.2	174.9	0	0	0	0	0	112.5	C442 K446 K483	C442-A444 PolarHBondContact O-N 2.8Å; C442-A444 PolarHBondContact SG-N 3.36Å; A444-K446 WeakPolarHBondContact O-CE 3.45Å; A444-K446 PolarHBondContact O-N 2.84Å; A444-K483 HydrophobicContact CB-CB 4.49Å; A444-K483 HydrophobicContact CB-CD 3.65Å
445	C	96.9	Very high	97	Very high	54 Å²	54	64.7 Å²	64.7	37%	0.365	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	1.2	-173.4	67.5	0	0	0	0	115	C442 V447 C478 C481	C442-C445 VanDerWaalsContact SG-SG 3.63Å; C445-V447 PolarHBondContact O-N 2.81Å; C445-C478 VanDerWaalsContact SG-SG 3.69Å; C445-C481 HydrophobicContact CB-CB 3.99Å
446	K	96.8	Very high	97	Very high	148 Å²	148	64.6 Å²	64.6	64%	0.643	33%	0.325	S	S	*	.			trans	61.3	4.9	176.9	-45.2	-53.9	-178.3	-177.3	0	116.3	C442 S443 A444 V448	C442-K446 WeakPolarHBondContact O-CA 3.39Å; C442-K446 PolarHBondContact O-N 3.29Å; S443-K446 PolarHBondContact O-NZ 3.32Å; A444-K446 WeakPolarHBondContact O-CE 3.45Å; A444-K446 PolarHBondContact O-N 2.84Å; K446-V448 PolarHBondContact O-N 2.87Å
447	V	96.7	Very high	97	Very high	57 Å²	57	65.2 Å²	65.2	35%	0.345	33%	0.328	S	S	.	.			trans	-54.4	126.5	169	172.3	0	0	0	0	109.5	K441 C442 C445 T449 A480	K441-V447 WeakPolarHBondContact CA-O 3.38Å; C442-V447 PolarHBondContact N-O 3.29Å; C445-V447 PolarHBondContact O-N 2.81Å; V447-T449 HydrophobicContact CG1-CG2 4.32Å; V447-A480 HydrophobicContact CG2-CB 4.12Å
448	V	96.2	Very high	97	Very high	92 Å²	92	63.8 Å²	63.8	56%	0.558	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.7	136	172.3	178	0	0	0	0	107.8	F440 K441 K446	F440-V448 CarbonylContact O-C 3.59Å; F440-V448 VanDerWaalsContact O-CA 3.29Å; F440-V448 WeakPolarHBondContact O-CA 3.47Å; K441-V448 HydrophobicContact CB-CG2 4.13Å; K441-V448 HydrophobicContact CD-CG2 4.03Å; K441-V448 HydrophobicContact CG-CG2 3.82Å; K446-V448 PolarHBondContact O-N 2.87Å
449	T	95.1	Very high	97	Very high	55 Å²	55	65.1 Å²	65.1	34%	0.337	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	142.6	168.3	55	0	0	0	0	109.7	F440 V447	F440-T449 PolarHBondContact N-O 3.37Å; F440-T449 PolarHBondContact O-N 2.99Å; V447-T449 HydrophobicContact CG1-CG2 4.32Å
450	K	96	Very high	97	Very high	123 Å²	123	61.4 Å²	61.4	54%	0.535	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	118.1	170.2	-176.4	162.6	-177.7	161.8	0	108.2	L437 W438 E439	L437-K450 HydrophobicContact CD2-CG 4.14Å; W438-K450 VanDerWaalsContact O-CA 3.27Å; W438-K450 WeakPolarHBondContact O-CA 3.32Å; E439-K450 HydrophobicContact CG-CD 4.11Å; E439-K450 HydrophobicContact CG-CG 4.24Å; E439-K450 WeakPolarHBondContact OE1-CD 3.11Å; E439-K450 VanDerWaalsContact OE1-CE 3.23Å; E439-K450 WeakPolarHBondContact OE1-CE 3.24Å; E439-K450 IonicContact OE1-NZ 3.47Å; E439-K450 PolarHBondContact OE1-NZ 3.39Å
451	E	96.2	Very high	96.9	Very high	91 Å²	91	63.4 Å²	63.4	43%	0.425	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	125.1	-171.9	-171.7	-177.4	149.3	0	0	109.9	L437 W438 V453	L437-E451 CarbonylContact C-O 3.53Å; L437-E451 VanDerWaalsContact CA-O 3.28Å; L437-E451 WeakPolarHBondContact CA-O 3.4Å; W438-E451 PolarHBondContact N-O 2.82Å; W438-E451 PolarHBondContact O-N 2.78Å; E451-V453 HydrophobicContact CB-CG2 4.48Å; E451-V453 HydrophobicContact CG-CG2 3.86Å
452	R	97.7	Very high	96.8	Very high	127 Å²	127	59.7 Å²	59.7	48%	0.479	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	125.9	174.7	-170.4	-179.5	178	-86.1	7.1	109.1	T435 L437 E454 E493	T435-R452 HydrophobicContact CG2-CG 4.43Å; T435-R452 VanDerWaalsContact CG2-CZ 3.42Å; L437-R452 HydrophobicContact CD2-CB 3.65Å; L437-R452 HydrophobicContact CD2-CG 4.1Å; L437-R452 HydrophobicContact CG-CB 4.47Å; L437-R452 HydrophobicContact CG-CG 4.5Å; R452-E454 IonicContact CZ-OE1 2.76Å; R452-E454 IonicContact NH1-OE1 3.04Å; R452-E454 PolarHBondContact NH1-OE1 3.14Å; R452-E454 IonicContact NH2-OE1 3.56Å; R452-E454 PolarHBondContact NH2-OE1 2.89Å; R452-E493 WeakPolarHBondContact CD-OE2 3.25Å; R452-E493 IonicContact CZ-OE1 3.94Å; R452-E493 VanDerWaalsContact CZ-OE1 3.22Å; R452-E493 IonicContact CZ-OE2 2.74Å; R452-E493 VanDerWaalsContact NE-CD 3.28Å; R452-E493 IonicContact NE-OE1 2.88Å; R452-E493 PolarHBondContact NE-OE1 3.14Å; R452-E493 IonicContact NE-OE2 2.9Å; R452-E493 PolarHBondContact NE-OE2 3.27Å; R452-E493 IonicContact NH2-OE1 2.63Å; R452-E493 PolarHBondContact NH2-OE1 2.94Å
453	V	97.3	Very high	96.8	Very high	18 Å²	18	61.1 Å²	61.1	11%	0.109	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	142.1	-171.9	177.8	0	0	0	0	110.1	F436 E451 K455	F436-V453 HydrophobicContact CD2-CB 4.11Å; F436-V453 HydrophobicContact CE1-CG1 4.49Å; F436-V453 HydrophobicContact CE2-CB 3.6Å; F436-V453 HydrophobicContact CE2-CG1 3.66Å; F436-V453 HydrophobicContact CZ-CB 3.97Å; F436-V453 HydrophobicContact CZ-CG1 3.59Å; F436-V453 PolarHBondContact N-O 2.94Å; F436-V453 PolarHBondContact O-N 2.95Å; E451-V453 HydrophobicContact CB-CG2 4.48Å; E451-V453 HydrophobicContact CG-CG2 3.86Å; V453-K455 HydrophobicContact CG1-CD 4.48Å; V453-K455 HydrophobicContact CG1-CG 3.85Å
454	E	97.7	Very high	96.7	Very high	80 Å²	80	58.7 Å²	58.7	37%	0.374	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	127.6	172.2	-67.4	176.4	-171	0	0	109.5	Q433 A434 T435 R452	Q433-E454 HydrophobicContact CG-CB 4.25Å; Q433-E454 PolarHBondContact NE2-OE2 3.16Å; A434-E454 VanDerWaalsContact O-CA 3.32Å; A434-E454 WeakPolarHBondContact O-CA 3.47Å; T435-E454 HydrophobicContact CG2-CG 3.98Å; R452-E454 IonicContact CZ-OE1 2.76Å; R452-E454 IonicContact NH1-OE1 3.04Å; R452-E454 PolarHBondContact NH1-OE1 3.14Å; R452-E454 IonicContact NH2-OE1 3.56Å; R452-E454 PolarHBondContact NH2-OE1 2.89Å
455	K	97.4	Very high	96.6	Very high	71 Å²	71	61.3 Å²	61.3	31%	0.309	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	147.3	178.9	-63.2	-63	170.4	-148.8	0	111.4	A434 F436 V453 P458 T968	A434-K455 PolarHBondContact N-O 3.36Å; A434-K455 PolarHBondContact O-N 2.84Å; A434-K455 VanDerWaalsContact O-N 3.09Å; F436-K455 HydrophobicContact CE1-CB 4.25Å; F436-K455 HydrophobicContact CZ-CB 4.22Å; F436-K455 HydrophobicContact CZ-CG 4.05Å; V453-K455 HydrophobicContact CG1-CD 4.48Å; V453-K455 HydrophobicContact CG1-CG 3.85Å; K455-P458 HydrophobicContact CB-CG 4.11Å; K455-T968 WeakPolarHBondContact CE-OG1 3.37Å; K455-T968 PolarHBondContact NZ-OG1 3.33Å
456	T	97.9	Very high	96.5	Very high	11 Å²	11	62.2 Å²	62.2	7%	0.067	32%	0.323	C	S	.	.	S	Bend	trans	-80.1	-21	167.9	46.9	0	0	0	0	114	L422 E429 F432 Q433	L422-T456 HydrophobicContact CD1-CG2 4.11Å; E429-T456 HydrophobicContact CG-CG2 3.89Å; F432-T456 HydrophobicContact CB-CG2 3.94Å; F432-T456 WeakPolarHBondContact O-CA 3.42Å; Q433-T456 HydrophobicContact CB-CG2 4.23Å
457	L	98.4	Very high	96.5	Very high	15 Å²	15	55.4 Å²	55.4	8%	0.079	29%	0.293	C	S	.	.	S	Bend	trans	-150.3	83.8	177	-175	59.8	0	0	0	110.9	V415 M418 P419 A500 H502 V575	V415-L457 HydrophobicContact CB-CD2 4.37Å; V415-L457 HydrophobicContact CG1-CD2 4.2Å; M418-L457 HydrophobicContact CE-CB 4.26Å; M418-L457 HydrophobicContact SD-CB 3.97Å; M418-L457 HydrophobicContact SD-CD2 4.17Å; P419-L457 HydrophobicContact CG-CB 4.08Å; L457-A500 HydrophobicContact CD1-CB 4.01Å; L457-H502 HydrophobicContact CD1-CB 3.96Å; L457-H502 HydrophobicContact CD2-CB 4.31Å; L457-H502 HydrophobicContact CG-CB 4.04Å; L457-V575 HydrophobicContact CD1-CG1 3.87Å
458	P	97.8	Very high	96.5	Very high	6 Å²	6	55.2 Å²	55.2	4%	0.039	29%	0.292	C	S	.	.			trans	-57.8	148.1	167.2	-19.1	29.8	0	0	0	111.7	F436 K455 A500 L501 H502	F436-P458 HydrophobicContact CD1-CG 4.42Å; F436-P458 HydrophobicContact CE1-CB 4.34Å; F436-P458 HydrophobicContact CE1-CG 3.52Å; F436-P458 HydrophobicContact CZ-CB 4.05Å; F436-P458 HydrophobicContact CZ-CG 3.71Å; K455-P458 HydrophobicContact CB-CG 4.11Å; P458-A500 WeakPolarHBondContact CD-O 3.14Å; P458-L501 HydrophobicContact CB-CD2 3.66Å; P458-L501 HydrophobicContact CG-CD2 3.75Å; P458-H502 PolarHBondContact O-N 3.17Å
459	T	97.4	Very high	96.5	Very high	63 Å²	63	51 Å²	51	39%	0.387	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	132.6	177.4	-68.3	0	0	0	0	110.3	H502 V504	T459-H502 WeakPolarHBondContact CA-O 3.27Å; T459-H502 WeakPolarHBondContact CG2-ND1 3.37Å; T459-H502 PolarHBondContact OG1-ND1 2.77Å; T459-V504 HydrophobicContact CG2-CG2 4.09Å
460	F	97.6	Very high	96.5	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	137.8	168.7	-79.9	-95.1	0	0	0	110.5	W438 I463 W467 A472 H474 M490 L501 H502 F503 V504	W438-F460 HydrophobicContact CH2-CD1 4.31Å; W438-F460 AromaticContact CH2-CE1 3.63Å; W438-F460 HydrophobicContact CH2-CE1 3.63Å; W438-F460 HydrophobicContact CH2-CE2 4.35Å; W438-F460 AromaticContact CH2-CZ 3.64Å; W438-F460 HydrophobicContact CH2-CZ 3.64Å; W438-F460 HydrophobicContact CZ2-CZ 4.4Å; W438-F460 HydrophobicContact CZ3-CE1 4.24Å; W438-F460 HydrophobicContact CZ3-CZ 4.4Å; F460-I463 HydrophobicContact CB-CG2 3.63Å; F460-I463 HydrophobicContact CD1-CG2 3.84Å; F460-I463 HydrophobicContact CG-CG2 4.12Å; F460-W467 AromaticContact CD1-NE1 3.62Å; F460-W467 AromaticContact CE1-NE1 3.52Å; F460-W467 AromaticContact CZ-NE1 3.98Å; F460-A472 HydrophobicContact CE1-CB 4.2Å; F460-A472 HydrophobicContact CZ-CB 3.76Å; F460-H474 HydrophobicContact CD1-CB 4.18Å; F460-H474 AromaticContact CD1-ND1 3.71Å; F460-H474 AromaticContact CE1-ND1 3.94Å; F460-M490 HydrophobicContact CE2-CE 4.01Å; F460-M490 HydrophobicContact CE2-SD 4.05Å; F460-M490 HydrophobicContact CZ-CB 3.96Å; F460-M490 HydrophobicContact CZ-CE 3.9Å; F460-M490 HydrophobicContact CZ-SD 3.96Å; F460-L501 HydrophobicContact CD2-CD2 4.3Å; F460-L501 HydrophobicContact CE2-CD1 4.3Å; F460-L501 HydrophobicContact CE2-CD2 3.98Å; F460-H502 PolarHBondContact N-O 3.36Å; F460-F503 HydrophobicContact CB-CD1 3.82Å; F460-F503 HydrophobicContact CB-CE1 4.04Å; F460-F503 HydrophobicContact CD2-CE1 4.31Å; F460-F503 HydrophobicContact CG-CE1 4.25Å; F460-V504 PolarHBondContact O-N 2.83Å
461	T	94.9	Very high	96.4	Very high	57 Å²	57	49.6 Å²	49.6	35%	0.35	26%	0.263	S	S	.	.			trans	-125.1	151	169.1	49.2	0	0	0	0	108.3	I463 H474 V504 E505	T461-I463 PolarHBondContact O-N 3.16Å; T461-H474 WeakPolarHBondContact O-CB 3.38Å; T461-V504 HydrophobicContact CG2-CB 3.86Å; T461-V504 HydrophobicContact CG2-CG1 4.37Å; T461-V504 HydrophobicContact CG2-CG2 3.62Å; T461-E505 VanDerWaalsContact CA-OE2 3.23Å; T461-E505 WeakPolarHBondContact CA-OE2 3.36Å
462	N	94.8	Very high	96.5	Very high	73 Å²	73	45.3 Å²	45.3	39%	0.39	24%	0.242	S	C	.	.	S	Bend	trans	43.8	54.6	171.6	-166.5	30.1	0	0	0	113.9	L475 E505	N462-L475 WeakPolarHBondContact ND2-CB 3.34Å; N462-L475 PolarHBondContact ND2-O 3.44Å; N462-L475 PolarHBondContact O-N 2.93Å; N462-E505 PolarHBondContact N-OE1 3.46Å; N462-E505 PolarHBondContact N-OE2 3.07Å
463	I	96.6	Very high	96.5	Very high	29 Å²	29	39.2 Å²	39.2	15%	0.149	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-67.8	158.4	-176.9	58.2	-178.6	0	0	0	113.2	F460 T461 W467 H474 F503 G506 L507 P508	F460-I463 HydrophobicContact CB-CG2 3.63Å; F460-I463 HydrophobicContact CD1-CG2 3.84Å; F460-I463 HydrophobicContact CG-CG2 4.12Å; T461-I463 PolarHBondContact O-N 3.16Å; I463-W467 HydrophobicContact CB-CB 4.44Å; I463-W467 HydrophobicContact CB-CG 4.33Å; I463-W467 HydrophobicContact CD1-CG 4.5Å; I463-H474 HydrophobicContact CG2-CB 4.42Å; I463-F503 HydrophobicContact CD1-CD1 4.24Å; I463-F503 HydrophobicContact CG2-CD1 4.41Å; I463-G506 WeakPolarHBondContact CD1-O 3.47Å; I463-L507 HydrophobicContact CD1-CD2 4.15Å; I463-P508 HydrophobicContact CD1-CG 4Å
464	V	95.6	Very high	96.4	Very high	8 Å²	8	39.1 Å²	39.1	5%	0.048	22%	0.218	C	C	.	.			trans	-75.6	154.5	175.3	-57.2	0	0	0	0	111.6	D466 W467 A473 L475	V464-D466 VanDerWaalsContact CB-OD1 3.27Å; V464-D466 WeakPolarHBondContact CB-OD1 3.39Å; V464-D466 VanDerWaalsContact CG2-OD1 3.24Å; V464-D466 WeakPolarHBondContact CG2-OD1 3.22Å; V464-D466 PolarHBondContact O-N 2.86Å; V464-W467 HydrophobicContact CG2-CB 4.07Å; V464-W467 VanDerWaalsContact O-CB 3.24Å; V464-W467 WeakPolarHBondContact O-CB 3.48Å; V464-W467 PolarHBondContact O-N 3.05Å; V464-A473 HydrophobicContact CG1-CB 4.23Å; V464-A473 HydrophobicContact CG2-CB 4.1Å; V464-A473 PolarHBondContact N-O 3.33Å; V464-L475 HydrophobicContact CG1-CD2 4.24Å; V464-L475 HydrophobicContact CG1-CG 4.14Å
465	S	93.7	Very high	96.4	Very high	110 Å²	110	37.7 Å²	37.7	77%	0.769	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-25.9	179.9	49	0	0	0	0	113.5	W467	S465-W467 VanDerWaalsContact C-N 3.29Å
466	D	94.2	Very high	96.1	Very high	73 Å²	73	34.8 Å²	34.8	39%	0.39	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	14.1	176.2	55.4	-57.8	0	0	0	113.6	V464 T468 N471 R487	V464-D466 VanDerWaalsContact CB-OD1 3.27Å; V464-D466 WeakPolarHBondContact CB-OD1 3.39Å; V464-D466 VanDerWaalsContact CG2-OD1 3.24Å; V464-D466 WeakPolarHBondContact CG2-OD1 3.22Å; V464-D466 PolarHBondContact O-N 2.86Å; D466-T468 PolarHBondContact O-N 3.26Å; D466-N471 PolarHBondContact O-ND2 3.29Å; D466-N471 PolarHBondContact OD2-ND2 3.16Å; D466-R487 IonicContact OD1-NH2 3.27Å; D466-R487 PolarHBondContact OD1-NH2 3.41Å; D466-R487 IonicContact OD2-CZ 3.79Å; D466-R487 IonicContact OD2-NH1 3.57Å; D466-R487 IonicContact OD2-NH2 2.91Å; D466-R487 PolarHBondContact OD2-NH2 3.47Å
467	W	97.3	Very high	96	Very high	4 Å²	4	37.5 Å²	37.5	2%	0.015	22%	0.22	C	C	.	.			trans	-63.8	129	-173.7	-172.1	103.5	0	0	0	112.3	F460 I463 V464 S465 P469 A472 L501 F503 L507 P508 Y515 W578	F460-W467 AromaticContact CD1-NE1 3.62Å; F460-W467 AromaticContact CE1-NE1 3.52Å; F460-W467 AromaticContact CZ-NE1 3.98Å; I463-W467 HydrophobicContact CB-CB 4.44Å; I463-W467 HydrophobicContact CB-CG 4.33Å; I463-W467 HydrophobicContact CD1-CG 4.5Å; V464-W467 HydrophobicContact CG2-CB 4.07Å; V464-W467 VanDerWaalsContact O-CB 3.24Å; V464-W467 WeakPolarHBondContact O-CB 3.48Å; V464-W467 PolarHBondContact O-N 3.05Å; S465-W467 VanDerWaalsContact C-N 3.29Å; W467-P469 HydrophobicContact CH2-CB 4.41Å; W467-P469 HydrophobicContact CH2-CG 3.91Å; W467-P469 HydrophobicContact CZ3-CG 4.06Å; W467-A472 HydrophobicContact CZ2-CB 4.02Å; W467-L501 HydrophobicContact CH2-CD1 3.7Å; W467-L501 HydrophobicContact CZ2-CD1 3.63Å; W467-F503 HydrophobicContact CD2-CE1 4.39Å; W467-F503 AromaticContact CE2-CE1 3.91Å; W467-F503 HydrophobicContact CH2-CE1 4.04Å; W467-F503 AromaticContact CH2-CZ 3.65Å; W467-F503 HydrophobicContact CH2-CZ 3.65Å; W467-F503 AromaticContact CZ2-CE1 3.76Å; W467-F503 HydrophobicContact CZ2-CE1 3.76Å; W467-F503 AromaticContact CZ2-CZ 3.75Å; W467-F503 HydrophobicContact CZ2-CZ 3.75Å; W467-F503 HydrophobicContact CZ3-CE1 4.42Å; W467-F503 HydrophobicContact CZ3-CZ 4.14Å; W467-L507 HydrophobicContact CE3-CD2 3.98Å; W467-L507 HydrophobicContact CZ3-CD2 4.09Å; W467-P508 HydrophobicContact CB-CG 4.26Å; W467-Y515 HydrophobicContact CE3-CD1 4.25Å; W467-Y515 HydrophobicContact CE3-CE1 4.09Å; W467-Y515 HydrophobicContact CZ3-CD1 4.07Å; W467-Y515 HydrophobicContact CZ3-CE1 4.32Å; W467-W578 HydrophobicContact CH2-CH2 4.2Å; W467-W578 HydrophobicContact CH2-CZ2 4.39Å
468	T	96.1	Very high	95.9	Very high	54 Å²	54	36.9 Å²	36.9	33%	0.331	22%	0.217	S	C	.	.			trans	-139.5	166.2	166.1	71.7	0	0	0	0	108.6	D466 L470 N471 A472	D466-T468 PolarHBondContact O-N 3.26Å; T468-L470 PolarHBondContact O-N 3.4Å; T468-L470 PolarHBondContact OG1-N 2.8Å; T468-N471 CarbonylContact O-C 3.55Å; T468-N471 PolarHBondContact O-N 2.94Å; T468-N471 PolarHBondContact OG1-N 3.12Å; T468-N471 VanDerWaalsContact OG1-N 3.11Å; T468-A472 VanDerWaalsContact O-CA 3.29Å; T468-A472 WeakPolarHBondContact O-CA 3.48Å; T468-A472 WeakPolarHBondContact O-CB 3.43Å; T468-A472 PolarHBondContact O-N 2.94Å
469	P	96.2	Very high	95.7	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.019	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-24.2	177.2	-28.2	37.4	0	0	0	114.9	W467 L492 F517 W578	W467-P469 HydrophobicContact CH2-CB 4.41Å; W467-P469 HydrophobicContact CH2-CG 3.91Å; W467-P469 HydrophobicContact CZ3-CG 4.06Å; P469-L492 WeakPolarHBondContact O-CD1 3.32Å; P469-F517 HydrophobicContact CB-CD1 3.59Å; P469-F517 HydrophobicContact CB-CD2 4.23Å; P469-F517 HydrophobicContact CB-CE1 3.67Å; P469-F517 HydrophobicContact CB-CE2 4.3Å; P469-F517 HydrophobicContact CB-CG 3.88Å; P469-F517 HydrophobicContact CB-CZ 4.04Å; P469-F517 HydrophobicContact CG-CD1 3.63Å; P469-F517 HydrophobicContact CG-CE1 3.92Å; P469-F517 HydrophobicContact CG-CG 4.23Å; P469-W578 HydrophobicContact CG-CZ2 3.87Å
470	L	95.7	Very high	95.6	Very high	101 Å²	101	40.8 Å²	40.8	53%	0.529	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97	-17.6	176.8	-59.6	180	0	0	0	113.6	T468 L492 F517 F519	T468-L470 PolarHBondContact O-N 3.4Å; T468-L470 PolarHBondContact OG1-N 2.8Å; L470-L492 HydrophobicContact CD2-CD1 4.28Å; L470-F517 HydrophobicContact CD1-CB 4.4Å; L470-F517 HydrophobicContact CD2-CD2 3.93Å; L470-F517 HydrophobicContact CD2-CE2 4.44Å; L470-F517 HydrophobicContact CG-CB 4.37Å; L470-F517 HydrophobicContact CG-CD2 4.17Å; L470-F519 HydrophobicContact CD2-CD2 4.19Å
471	N	94.9	Very high	95.6	Very high	48 Å²	48	43.2 Å²	43.2	26%	0.257	26%	0.261	S	S	.	.	S	Bend	trans	-114.4	48	171.1	-178.5	34.1	0	0	0	109.6	D466 T468 A473 R487	D466-N471 PolarHBondContact O-ND2 3.29Å; D466-N471 PolarHBondContact OD2-ND2 3.16Å; T468-N471 CarbonylContact O-C 3.55Å; T468-N471 PolarHBondContact O-N 2.94Å; T468-N471 PolarHBondContact OG1-N 3.12Å; T468-N471 VanDerWaalsContact OG1-N 3.11Å; N471-A473 PolarHBondContact O-N 2.71Å; N471-R487 PolarHBondContact OD1-NH1 3.37Å; N471-R487 VanDerWaalsContact OD1-NH1 3.1Å
472	A	97.1	Very high	95.6	Very high	0 Å²	0	45 Å²	45	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	84.2	-166.3	0	0	0	0	0	111.2	F460 W467 T468 M490	F460-A472 HydrophobicContact CE1-CB 4.2Å; F460-A472 HydrophobicContact CZ-CB 3.76Å; W467-A472 HydrophobicContact CZ2-CB 4.02Å; T468-A472 VanDerWaalsContact O-CA 3.29Å; T468-A472 WeakPolarHBondContact O-CA 3.48Å; T468-A472 WeakPolarHBondContact O-CB 3.43Å; T468-A472 PolarHBondContact O-N 2.94Å; A472-M490 HydrophobicContact CB-CB 4.19Å; A472-M490 HydrophobicContact CB-CE 3.74Å; A472-M490 WeakPolarHBondContact O-CB 3.35Å; A472-M490 PolarHBondContact O-N 3.06Å
473	A	97.2	Very high	95.7	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	151	-173.5	0	0	0	0	0	114.1	V464 N471 R487 R488 T489	V464-A473 HydrophobicContact CG1-CB 4.23Å; V464-A473 HydrophobicContact CG2-CB 4.1Å; V464-A473 PolarHBondContact N-O 3.33Å; N471-A473 PolarHBondContact O-N 2.71Å; A473-R487 HydrophobicContact CB-CG 3.82Å; A473-R488 CarbonylContact C-O 3.55Å; A473-R488 VanDerWaalsContact CA-O 3.27Å; A473-R488 WeakPolarHBondContact CA-O 3.08Å; A473-T489 HydrophobicContact CB-CG2 4.47Å
474	H	96.9	Very high	95.6	Very high	15 Å²	15	52.1 Å²	52.1	7%	0.069	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	165.4	175.5	67.9	-112.4	0	0	0	114.2	W438 F460 T461 I463 R487 R488	W438-H474 AromaticContact CH2-CE1 3.31Å; W438-H474 WeakPolarHBondContact CH2-CE1 3.43Å; W438-H474 AromaticContact CH2-ND1 3.35Å; W438-H474 VanDerWaalsContact CH2-ND1 3.35Å; W438-H474 WeakPolarHBondContact CH2-ND1 3.47Å; W438-H474 AromaticContact CZ2-CE1 3.92Å; W438-H474 AromaticContact CZ3-CE1 3.54Å; W438-H474 AromaticContact CZ3-ND1 3.61Å; F460-H474 HydrophobicContact CD1-CB 4.18Å; F460-H474 AromaticContact CD1-ND1 3.71Å; F460-H474 AromaticContact CE1-ND1 3.94Å; T461-H474 WeakPolarHBondContact O-CB 3.38Å; I463-H474 HydrophobicContact CG2-CB 4.42Å; H474-R487 CarbonylContact O-C 3.55Å; H474-R487 WeakPolarHBondContact O-CA 3.38Å; H474-R488 PolarHBondContact N-O 2.92Å; H474-R488 PolarHBondContact O-N 3.4Å
475	L	96	Very high	95.5	Very high	50 Å²	50	57 Å²	57	26%	0.262	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	100.5	-175.1	-62.9	-179.1	0	0	0	111.5	N462 V464 R487	N462-L475 WeakPolarHBondContact ND2-CB 3.34Å; N462-L475 PolarHBondContact ND2-O 3.44Å; N462-L475 PolarHBondContact O-N 2.93Å; V464-L475 HydrophobicContact CG1-CD2 4.24Å; V464-L475 HydrophobicContact CG1-CG 4.14Å; L475-R487 HydrophobicContact CD2-CB 4.25Å
476	A	92.9	Very high	95.6	Very high	10 Å²	10	52.2 Å²	52.2	8%	0.083	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	164.3	-177.6	0	0	0	0	0	112.1	N485 E486 R488	A476-N485 PolarHBondContact O-N 2.96Å; A476-E486 PolarHBondContact N-O 3.5Å; A476-E486 PolarHBondContact O-N 2.84Å; A476-R488 HydrophobicContact CB-CG 4.15Å
477	P	95.6	Very high	95.7	Very high	69 Å²	69	53.1 Å²	53.1	45%	0.448	29%	0.292	S	S	.	.			trans	-70.4	150.6	162.1	30.7	-34.2	0	0	0	111.6	N479 K483 R488	P477-N479 PolarHBondContact O-N 3Å; P477-K483 CarbonylContact C-O 3.56Å; P477-K483 WeakPolarHBondContact CA-O 3.37Å; P477-R488 PolarHBondContact O-NH2 3.13Å
478	C	95.7	Very high	95.6	Very high	2 Å²	2	54.1 Å²	54.1	1%	0.014	30%	0.295	C	S	.	.			trans	-73.1	120.3	168.5	177	0	0	0	0	110.9	F440 C442 C445 A480 C481 S482 K483 E486	F440-C478 HydrophobicContact CZ-CB 3.81Å; C442-C478 HydrophobicContact CB-CB 4.35Å; C442-C478 VanDerWaalsContact SG-SG 3.68Å; C445-C478 VanDerWaalsContact SG-SG 3.69Å; C478-A480 PolarHBondContact O-N 3.36Å; C478-A480 VanDerWaalsContact O-N 3.07Å; C478-A480 PolarHBondContact SG-N 3.11Å; C478-C481 PolarHBondContact O-N 3.14Å; C478-C481 VanDerWaalsContact SG-SG 3.6Å; C478-S482 VanDerWaalsContact O-CA 3.32Å; C478-S482 WeakPolarHBondContact O-CA 3.4Å; C478-S482 PolarHBondContact O-N 3.01Å; C478-K483 PolarHBondContact N-O 2.99Å; C478-E486 HydrophobicContact CB-CG 4.4Å
479	N	93.3	Very high	95.7	Very high	79 Å²	79	53.5 Å²	53.5	42%	0.422	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-24.2	179.2	-68.8	-0.2	0	0	0	113.7	P477 R488 D966	P477-N479 PolarHBondContact O-N 3Å; N479-R488 PolarHBondContact OD1-NH2 3.17Å; N479-D966 PolarHBondContact ND2-OD1 3.32Å
480	A	95.5	Very high	95.8	Very high	71 Å²	71	53.5 Å²	53.5	59%	0.587	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-38.8	-177.3	0	0	0	0	0	114.8	V447 C478	V447-A480 HydrophobicContact CG2-CB 4.12Å; C478-A480 PolarHBondContact O-N 3.36Å; C478-A480 VanDerWaalsContact O-N 3.07Å; C478-A480 PolarHBondContact SG-N 3.11Å
481	C	96.6	Very high	95.9	Very high	51 Å²	51	50.7 Å²	50.7	35%	0.345	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.9	3	-174.7	72.4	0	0	0	0	114.9	C445 C478 K483	C445-C481 HydrophobicContact CB-CB 3.99Å; C478-C481 PolarHBondContact O-N 3.14Å; C478-C481 VanDerWaalsContact SG-SG 3.6Å; C481-K483 PolarHBondContact O-N 2.96Å
482	S	96.1	Very high	96	Very high	95 Å²	95	49.5 Å²	49.5	66%	0.664	27%	0.274	S	S	*	.			trans	56.8	11	-178.8	-57.6	0	0	0	0	116	C478 K484	C478-S482 VanDerWaalsContact O-CA 3.32Å; C478-S482 WeakPolarHBondContact O-CA 3.4Å; C478-S482 PolarHBondContact O-N 3.01Å; S482-K484 PolarHBondContact O-N 2.93Å
483	K	95.7	Very high	96	Very high	91 Å²	91	53 Å²	53	40%	0.396	29%	0.29	S	S	.	.			trans	-60	128.2	170.3	-177.7	170.5	173.2	-148.8	0	109.2	S443 A444 P477 C478 C481 E486	S443-K483 PolarHBondContact OG-NZ 2.95Å; A444-K483 HydrophobicContact CB-CB 4.49Å; A444-K483 HydrophobicContact CB-CD 3.65Å; P477-K483 CarbonylContact C-O 3.56Å; P477-K483 WeakPolarHBondContact CA-O 3.37Å; C478-K483 PolarHBondContact N-O 2.99Å; C481-K483 PolarHBondContact O-N 2.96Å; K483-E486 HydrophobicContact CB-CG 4.48Å; K483-E486 WeakPolarHBondContact CD-OE1 3.41Å; K483-E486 WeakPolarHBondContact CE-OE1 3.4Å; K483-E486 HydrophobicContact CG-CG 4.32Å; K483-E486 WeakPolarHBondContact CG-OE1 3.41Å; K483-E486 IonicContact NZ-OE1 3.89Å; K483-E486 PolarHBondContact NZ-OE1 3.41Å
484	K	95.4	Very high	96	Very high	160 Å²	160	55.4 Å²	55.4	70%	0.696	31%	0.307	S	S	*	.	S	Bend	trans	-81.7	161.2	-177.7	-58.5	-175.2	179.5	-174.8	0	111.7	S482 E486	S482-K484 PolarHBondContact O-N 2.93Å; K484-E486 VanDerWaalsContact C-N 3.34Å; K484-E486 PolarHBondContact O-N 3.15Å
485	N	93.8	Very high	96	Very high	110 Å²	110	55.2 Å²	55.2	59%	0.588	31%	0.307	S	S	*	.	S	Bend	trans	59.6	38.8	171.5	-53.8	5.4	0	0	0	113.8	A476	A476-N485 PolarHBondContact O-N 2.96Å
486	E	95.8	Very high	96.1	Very high	10 Å²	10	53.2 Å²	53.2	5%	0.047	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	132.5	173.4	-61.5	-71.4	138.1	0	0	109.3	F440 C442 S443 A476 C478 K483 K484 R488	F440-E486 HydrophobicContact CE2-CB 3.67Å; F440-E486 HydrophobicContact CZ-CB 4.33Å; C442-E486 WeakPolarHBondContact CA-OE2 3.17Å; S443-E486 WeakPolarHBondContact CB-OE2 3.48Å; S443-E486 PolarHBondContact N-OE2 2.93Å; S443-E486 PolarHBondContact OG-OE1 3.16Å; S443-E486 PolarHBondContact OG-OE2 3.22Å; A476-E486 PolarHBondContact N-O 3.5Å; A476-E486 PolarHBondContact O-N 2.84Å; C478-E486 HydrophobicContact CB-CG 4.4Å; K483-E486 HydrophobicContact CB-CG 4.48Å; K483-E486 WeakPolarHBondContact CD-OE1 3.41Å; K483-E486 WeakPolarHBondContact CE-OE1 3.4Å; K483-E486 HydrophobicContact CG-CG 4.32Å; K483-E486 WeakPolarHBondContact CG-OE1 3.41Å; K483-E486 IonicContact NZ-OE1 3.89Å; K483-E486 PolarHBondContact NZ-OE1 3.41Å; K484-E486 VanDerWaalsContact C-N 3.34Å; K484-E486 PolarHBondContact O-N 3.15Å; E486-R488 PolarHBondContact O-N 2.85Å
487	R	95.6	Very high	96.3	Very high	93 Å²	93	54.1 Å²	54.1	35%	0.351	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	124.8	-176.5	-166	-173.8	-106.1	-136.1	2.8	110.7	D466 N471 A473 H474 L475	D466-R487 IonicContact OD1-NH2 3.27Å; D466-R487 PolarHBondContact OD1-NH2 3.41Å; D466-R487 IonicContact OD2-CZ 3.79Å; D466-R487 IonicContact OD2-NH1 3.57Å; D466-R487 IonicContact OD2-NH2 2.91Å; D466-R487 PolarHBondContact OD2-NH2 3.47Å; N471-R487 PolarHBondContact OD1-NH1 3.37Å; N471-R487 VanDerWaalsContact OD1-NH1 3.1Å; A473-R487 HydrophobicContact CB-CG 3.82Å; H474-R487 CarbonylContact O-C 3.55Å; H474-R487 WeakPolarHBondContact O-CA 3.38Å; L475-R487 HydrophobicContact CD2-CB 4.25Å
488	R	96.7	Very high	96.4	Very high	25 Å²	25	51 Å²	51	9%	0.094	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	133.4	158.4	-62.5	-170.5	-170.3	-162.8	7	107.7	W438 E439 F440 A473 H474 A476 P477 N479 E486 D966	W438-R488 HydrophobicContact CE3-CB 4.08Å; W438-R488 HydrophobicContact CZ3-CB 4.16Å; E439-R488 WeakPolarHBondContact O-CA 3.28Å; F440-R488 HydrophobicContact CB-CG 4.22Å; F440-R488 HydrophobicContact CD2-CG 3.7Å; F440-R488 HydrophobicContact CG-CG 4.31Å; A473-R488 CarbonylContact C-O 3.55Å; A473-R488 VanDerWaalsContact CA-O 3.27Å; A473-R488 WeakPolarHBondContact CA-O 3.08Å; H474-R488 PolarHBondContact N-O 2.92Å; H474-R488 PolarHBondContact O-N 3.4Å; A476-R488 HydrophobicContact CB-CG 4.15Å; P477-R488 PolarHBondContact O-NH2 3.13Å; N479-R488 PolarHBondContact OD1-NH2 3.17Å; E486-R488 PolarHBondContact O-N 2.85Å; R488-D966 IonicContact CZ-OD1 3.84Å; R488-D966 IonicContact NH1-OD1 3.76Å; R488-D966 PolarHBondContact NH1-OD1 3.25Å; R488-D966 IonicContact NH1-OD2 3.43Å; R488-D966 PolarHBondContact NH1-OD2 3.3Å
489	T	97.6	Very high	96.5	Very high	41 Å²	41	50.9 Å²	50.9	25%	0.252	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	133.2	-179.1	-55.1	0	0	0	0	109.5	E439 A473	E439-T489 PolarHBondContact N-O 3.38Å; E439-T489 PolarHBondContact O-N 3.22Å; A473-T489 HydrophobicContact CB-CG2 4.47Å
490	M	98.1	Very high	96.8	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.01	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	120.5	170.7	-173.4	-176.6	72.7	0	0	109.2	F436 L437 W438 F460 A472 L492 F499	F436-M490 HydrophobicContact CB-CG 3.66Å; F436-M490 HydrophobicContact CB-SD 4.11Å; F436-M490 HydrophobicContact CD1-SD 4.09Å; F436-M490 HydrophobicContact CD2-CG 3.55Å; F436-M490 HydrophobicContact CD2-SD 3.73Å; F436-M490 HydrophobicContact CE2-CG 4.37Å; F436-M490 HydrophobicContact CE2-SD 4.13Å; F436-M490 HydrophobicContact CG-CG 3.7Å; F436-M490 HydrophobicContact CG-SD 3.69Å; L437-M490 WeakPolarHBondContact O-CA 3.36Å; W438-M490 HydrophobicContact CD2-CB 4.48Å; W438-M490 HydrophobicContact CE3-CB 3.99Å; W438-M490 HydrophobicContact CH2-CB 3.89Å; W438-M490 HydrophobicContact CZ2-CB 4.42Å; W438-M490 HydrophobicContact CZ3-CB 3.67Å; F460-M490 HydrophobicContact CE2-CE 4.01Å; F460-M490 HydrophobicContact CE2-SD 4.05Å; F460-M490 HydrophobicContact CZ-CB 3.96Å; F460-M490 HydrophobicContact CZ-CE 3.9Å; F460-M490 HydrophobicContact CZ-SD 3.96Å; A472-M490 HydrophobicContact CB-CB 4.19Å; A472-M490 HydrophobicContact CB-CE 3.74Å; A472-M490 WeakPolarHBondContact O-CB 3.35Å; A472-M490 PolarHBondContact O-N 3.06Å; M490-L492 HydrophobicContact CE-CD2 3.76Å; M490-L492 HydrophobicContact CE-CG 4.27Å; M490-F499 HydrophobicContact CE-CZ 4.2Å
491	S	96.9	Very high	96.9	Very high	42 Å²	42	43.8 Å²	43.8	29%	0.294	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	120.3	168.5	65	0	0	0	0	110	F436 L437	F436-S491 CarbonylContact C-O 3.6Å; F436-S491 WeakPolarHBondContact CA-O 3.14Å; F436-S491 WeakPolarHBondContact CB-O 3.47Å; L437-S491 PolarHBondContact N-O 2.73Å; L437-S491 PolarHBondContact O-N 3.28Å
492	L	97.8	Very high	97	Very high	24 Å²	24	42.1 Å²	42.1	13%	0.126	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	130.1	179.8	-64.8	167.3	0	0	0	111	F436 P469 L470 M490 V495 F499 F517 F519	F436-L492 HydrophobicContact CB-CD2 4.35Å; P469-L492 WeakPolarHBondContact O-CD1 3.32Å; L470-L492 HydrophobicContact CD2-CD1 4.28Å; M490-L492 HydrophobicContact CE-CD2 3.76Å; M490-L492 HydrophobicContact CE-CG 4.27Å; L492-V495 HydrophobicContact CB-CG2 4.15Å; L492-V495 HydrophobicContact CD1-CG2 3.79Å; L492-V495 HydrophobicContact CD2-CG2 4.23Å; L492-V495 HydrophobicContact CG-CG2 4.27Å; L492-F499 HydrophobicContact CD2-CE2 3.95Å; L492-F499 HydrophobicContact CD2-CZ 3.88Å; L492-F517 HydrophobicContact CD1-CE2 4.24Å; L492-F519 HydrophobicContact CB-CD2 4.27Å; L492-F519 HydrophobicContact CB-CE2 3.63Å; L492-F519 HydrophobicContact CB-CZ 3.98Å
493	E	97	Very high	97.1	Very high	73 Å²	73	37.6 Å²	37.6	34%	0.341	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	-42.3	174.2	-175.6	-173.6	127.9	0	0	110.2	T435 R452 Q520	T435-E493 HydrophobicContact CG2-CB 3.95Å; T435-E493 HydrophobicContact CG2-CG 4.18Å; T435-E493 WeakPolarHBondContact O-CB 3.11Å; T435-E493 PolarHBondContact O-N 2.86Å; R452-E493 WeakPolarHBondContact CD-OE2 3.25Å; R452-E493 IonicContact CZ-OE1 3.94Å; R452-E493 VanDerWaalsContact CZ-OE1 3.22Å; R452-E493 IonicContact CZ-OE2 2.74Å; R452-E493 VanDerWaalsContact NE-CD 3.28Å; R452-E493 IonicContact NE-OE1 2.88Å; R452-E493 PolarHBondContact NE-OE1 3.14Å; R452-E493 IonicContact NE-OE2 2.9Å; R452-E493 PolarHBondContact NE-OE2 3.27Å; R452-E493 IonicContact NH2-OE1 2.63Å; R452-E493 PolarHBondContact NH2-OE1 2.94Å; E493-Q520 PolarHBondContact O-NE2 2.91Å
494	S	96.3	Very high	97.2	Very high	50 Å²	50	34.7 Å²	34.7	35%	0.35	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	136.5	173.8	-173.3	0	0	0	0	110.4	T435	T435-S494 PolarHBondContact N-O 2.92Å; T435-S494 PolarHBondContact O-N 2.87Å
495	V	97.6	Very high	97.2	Very high	12 Å²	12	31.2 Å²	31.2	7%	0.073	16%	0.164	C	C	.	.			trans	-113.9	125.8	176.1	-177.5	0	0	0	0	107.9	L492 F499 F517 F519 Y524	L492-V495 HydrophobicContact CB-CG2 4.15Å; L492-V495 HydrophobicContact CD1-CG2 3.79Å; L492-V495 HydrophobicContact CD2-CG2 4.23Å; L492-V495 HydrophobicContact CG-CG2 4.27Å; V495-F499 HydrophobicContact CG1-CB 3.85Å; V495-F499 HydrophobicContact CG1-CD2 4.3Å; V495-F499 HydrophobicContact CG1-CG 4.06Å; V495-F517 HydrophobicContact CG1-CZ 4.28Å; V495-F517 HydrophobicContact CG2-CE2 4.44Å; V495-F519 HydrophobicContact CB-CD1 3.84Å; V495-F519 HydrophobicContact CB-CE1 4.24Å; V495-F519 HydrophobicContact CB-CG 4.4Å; V495-F519 HydrophobicContact CG2-CB 4.22Å; V495-F519 HydrophobicContact CG2-CD1 3.43Å; V495-F519 VanDerWaalsContact CG2-CD1 3.43Å; V495-F519 HydrophobicContact CG2-CD2 4.16Å; V495-F519 HydrophobicContact CG2-CE1 3.71Å; V495-F519 HydrophobicContact CG2-CE2 4.41Å; V495-F519 HydrophobicContact CG2-CG 3.67Å; V495-F519 HydrophobicContact CG2-CZ 4.2Å; V495-Y524 HydrophobicContact CB-CE2 4.18Å; V495-Y524 HydrophobicContact CG1-CD1 4.16Å; V495-Y524 HydrophobicContact CG1-CD2 4.24Å; V495-Y524 HydrophobicContact CG1-CE1 3.69Å; V495-Y524 HydrophobicContact CG1-CE2 3.78Å; V495-Y524 HydrophobicContact CG1-CG 4.41Å; V495-Y524 VanDerWaalsContact CG1-CZ 3.48Å; V495-Y524 PolarHBondContact O-OH 3.25Å
496	P	97.4	Very high	97.3	Very high	8 Å²	8	26.1 Å²	26.1	5%	0.052	14%	0.138	C	C	.	.			trans	-86.8	167.6	-178.5	38.4	-36.5	0	0	0	110.9	A434 V498 Y524	A434-P496 HydrophobicContact CB-CG 4.29Å; P496-V498 PolarHBondContact O-N 2.74Å; P496-Y524 WeakPolarHBondContact O-CE1 3.46Å
497	P	97.7	Very high	97.3	Very high	29 Å²	29	25.9 Å²	25.9	19%	0.188	14%	0.137	C	C	.	.	S	Bend	trans	-54.7	-28.5	-178.2	-29.6	37.3	0	0	0	115.4	S334 L338 L431 E579 E580	S334-P497 PolarHBondContact OG-O 2.84Å; L338-P497 HydrophobicContact CD1-CB 4Å; L338-P497 HydrophobicContact CD1-CG 3.96Å; L431-P497 HydrophobicContact CD2-CB 4.42Å; L431-P497 HydrophobicContact CD2-CG 3.99Å; P497-E579 WeakPolarHBondContact O-CA 3.23Å; P497-E580 PolarHBondContact O-N 3.11Å
498	V	98.3	Very high	97.3	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.012	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	95.1	172	-164.4	0	0	0	0	109.7	C332 L431 F432 P496 F577 W578 E579	C332-V498 VanDerWaalsContact SG-CG2 3.54Å; L431-V498 PolarHBondContact O-N 2.61Å; F432-V498 WeakPolarHBondContact CA-O 2.82Å; F432-V498 HydrophobicContact CD1-CB 3.88Å; F432-V498 HydrophobicContact CD1-CG1 3.83Å; F432-V498 HydrophobicContact CD2-CB 4.44Å; F432-V498 HydrophobicContact CE1-CB 3.74Å; F432-V498 HydrophobicContact CE1-CG1 3.33Å; F432-V498 HydrophobicContact CE1-CG2 4.41Å; F432-V498 HydrophobicContact CE2-CB 4.29Å; F432-V498 HydrophobicContact CE2-CG2 4.28Å; F432-V498 HydrophobicContact CG-CB 4.24Å; F432-V498 HydrophobicContact CZ-CB 3.95Å; F432-V498 HydrophobicContact CZ-CG1 3.78Å; F432-V498 HydrophobicContact CZ-CG2 4.13Å; P496-V498 PolarHBondContact O-N 2.74Å; V498-F577 HydrophobicContact CG1-CD1 4.3Å; V498-W578 CarbonylContact C-O 3.59Å; V498-W578 WeakPolarHBondContact CA-O 3.26Å; V498-E579 HydrophobicContact CG1-CG 4.09Å; V498-E579 HydrophobicContact CG2-CG 4.29Å
499	F	98.4	Very high	97	Very high	1 Å²	1	25.9 Å²	25.9	0%	0.004	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	124.7	176.4	-177.9	-121.8	0	0	0	110.1	A434 M490 L492 V495 L501 F517 F577 W578	A434-F499 HydrophobicContact CB-CD2 3.85Å; A434-F499 HydrophobicContact CB-CE2 3.78Å; M490-F499 HydrophobicContact CE-CZ 4.2Å; L492-F499 HydrophobicContact CD2-CE2 3.95Å; L492-F499 HydrophobicContact CD2-CZ 3.88Å; V495-F499 HydrophobicContact CG1-CB 3.85Å; V495-F499 HydrophobicContact CG1-CD2 4.3Å; V495-F499 HydrophobicContact CG1-CG 4.06Å; F499-L501 HydrophobicContact CE1-CD1 3.64Å; F499-L501 HydrophobicContact CE1-CD2 4.34Å; F499-L501 HydrophobicContact CE1-CG 3.82Å; F499-L501 HydrophobicContact CE2-CD2 4.17Å; F499-L501 HydrophobicContact CE2-CG 4.41Å; F499-L501 HydrophobicContact CZ-CD1 3.77Å; F499-L501 HydrophobicContact CZ-CD2 3.73Å; F499-L501 HydrophobicContact CZ-CG 3.73Å; F499-F517 HydrophobicContact CD1-CE1 4.14Å; F499-F517 AromaticContact CD1-CZ 3.89Å; F499-F517 HydrophobicContact CD1-CZ 3.89Å; F499-F517 HydrophobicContact CE1-CZ 4.24Å; F499-F577 WeakPolarHBondContact O-CA 3.49Å; F499-W578 HydrophobicContact CB-CB 4.38Å; F499-W578 HydrophobicContact CD1-CD2 4.23Å; F499-W578 AromaticContact CD1-CE3 3.88Å; F499-W578 HydrophobicContact CD1-CE3 3.88Å; F499-W578 HydrophobicContact CD1-CZ3 4.42Å; F499-W578 HydrophobicContact CE1-CE3 4.43Å; F499-W578 PolarHBondContact N-O 2.89Å; F499-W578 PolarHBondContact O-N 3.27Å
500	A	98.5	Very high	96.7	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.008	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	135.5	-177.4	0	0	0	0	0	111.7	M418 F432 L457 P458 V576 F577	M418-A500 HydrophobicContact CE-CB 3.83Å; F432-A500 HydrophobicContact CD1-CB 4.4Å; L457-A500 HydrophobicContact CD1-CB 4.01Å; P458-A500 WeakPolarHBondContact CD-O 3.14Å; A500-V576 WeakPolarHBondContact CA-O 3.23Å; A500-F577 HydrophobicContact CB-CD1 3.6Å; A500-F577 HydrophobicContact CB-CE1 3.74Å; A500-F577 HydrophobicContact CB-CG 4.37Å
501	L	98.6	Very high	96.3	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	139.5	177.4	-66.1	177.7	0	0	0	111.6	P458 F460 W467 F499 F503 V575 V576 W578	P458-L501 HydrophobicContact CB-CD2 3.66Å; P458-L501 HydrophobicContact CG-CD2 3.75Å; F460-L501 HydrophobicContact CD2-CD2 4.3Å; F460-L501 HydrophobicContact CE2-CD1 4.3Å; F460-L501 HydrophobicContact CE2-CD2 3.98Å; W467-L501 HydrophobicContact CH2-CD1 3.7Å; W467-L501 HydrophobicContact CZ2-CD1 3.63Å; F499-L501 HydrophobicContact CE1-CD1 3.64Å; F499-L501 HydrophobicContact CE1-CD2 4.34Å; F499-L501 HydrophobicContact CE1-CG 3.82Å; F499-L501 HydrophobicContact CE2-CD2 4.17Å; F499-L501 HydrophobicContact CE2-CG 4.41Å; F499-L501 HydrophobicContact CZ-CD1 3.77Å; F499-L501 HydrophobicContact CZ-CD2 3.73Å; F499-L501 HydrophobicContact CZ-CG 3.73Å; L501-F503 HydrophobicContact CB-CE2 3.6Å; L501-F503 HydrophobicContact CB-CZ 3.68Å; L501-F503 HydrophobicContact CD1-CZ 3.85Å; L501-F503 HydrophobicContact CG-CZ 4.44Å; L501-V575 WeakPolarHBondContact O-CA 3.21Å; L501-V575 WeakPolarHBondContact O-CG1 3.28Å; L501-V576 PolarHBondContact N-O 3.13Å; L501-V576 PolarHBondContact O-N 3.31Å; L501-W578 HydrophobicContact CB-CH2 4.42Å; L501-W578 HydrophobicContact CB-CZ3 3.96Å; L501-W578 HydrophobicContact CD1-CH2 4.03Å; L501-W578 HydrophobicContact CD1-CZ3 4Å; L501-W578 HydrophobicContact CG-CZ3 4.03Å
502	H	98.7	Very high	96.1	Very high	15 Å²	15	29.1 Å²	29.1	7%	0.069	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	135.5	172.6	158.6	-122.9	0	0	0	110.6	V415 L457 P458 T459 F460 V504 H574 V575	V415-H502 HydrophobicContact CG1-CB 4.38Å; V415-H502 HydrophobicContact CG2-CB 4.16Å; V415-H502 VanDerWaalsContact CG2-CD2 3.43Å; V415-H502 WeakPolarHBondContact CG2-CD2 3.36Å; L457-H502 HydrophobicContact CD1-CB 3.96Å; L457-H502 HydrophobicContact CD2-CB 4.31Å; L457-H502 HydrophobicContact CG-CB 4.04Å; P458-H502 PolarHBondContact O-N 3.17Å; T459-H502 WeakPolarHBondContact CA-O 3.27Å; T459-H502 WeakPolarHBondContact CG2-ND1 3.37Å; T459-H502 PolarHBondContact OG1-ND1 2.77Å; F460-H502 PolarHBondContact N-O 3.36Å; H502-V504 VanDerWaalsContact CE1-CG2 3.45Å; H502-V504 WeakPolarHBondContact CE1-CG2 3.49Å; H502-H574 CarbonylContact C-O 3.56Å; H502-H574 WeakPolarHBondContact CA-O 3.47Å; H502-H574 AromaticContact CD2-CE1 3.34Å; H502-H574 PolarHBondContact CD2-CE1 3.19Å; H502-H574 AromaticContact CD2-ND1 3.53Å; H502-H574 AromaticContact CD2-NE2 3.87Å; H502-H574 PolarHBondContact CD2-O 2.99Å; H502-H574 AromaticContact NE2-CE1 3.05Å; H502-H574 PolarHBondContact NE2-CE1 3.21Å; H502-H574 AromaticContact NE2-ND1 3.55Å; H502-H574 AromaticContact NE2-NE2 3.85Å; H502-V575 HydrophobicContact CB-CG2 4.34Å
503	F	98.3	Very high	95.7	Very high	1 Å²	1	35 Å²	35	0%	0.004	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	125.1	178.7	-57.7	-87	0	0	0	109.7	F460 I463 W467 L501 L507 H574 V576 W578	F460-F503 HydrophobicContact CB-CD1 3.82Å; F460-F503 HydrophobicContact CB-CE1 4.04Å; F460-F503 HydrophobicContact CD2-CE1 4.31Å; F460-F503 HydrophobicContact CG-CE1 4.25Å; I463-F503 HydrophobicContact CD1-CD1 4.24Å; I463-F503 HydrophobicContact CG2-CD1 4.41Å; W467-F503 HydrophobicContact CD2-CE1 4.39Å; W467-F503 AromaticContact CE2-CE1 3.91Å; W467-F503 HydrophobicContact CH2-CE1 4.04Å; W467-F503 AromaticContact CH2-CZ 3.65Å; W467-F503 HydrophobicContact CH2-CZ 3.65Å; W467-F503 AromaticContact CZ2-CE1 3.76Å; W467-F503 HydrophobicContact CZ2-CE1 3.76Å; W467-F503 AromaticContact CZ2-CZ 3.75Å; W467-F503 HydrophobicContact CZ2-CZ 3.75Å; W467-F503 HydrophobicContact CZ3-CE1 4.42Å; W467-F503 HydrophobicContact CZ3-CZ 4.14Å; L501-F503 HydrophobicContact CB-CE2 3.6Å; L501-F503 HydrophobicContact CB-CZ 3.68Å; L501-F503 HydrophobicContact CD1-CZ 3.85Å; L501-F503 HydrophobicContact CG-CZ 4.44Å; F503-L507 HydrophobicContact CD1-CD2 3.71Å; F503-L507 HydrophobicContact CD1-CG 4.42Å; F503-L507 HydrophobicContact CD2-CD2 4.13Å; F503-L507 HydrophobicContact CD2-CG 4.19Å; F503-L507 HydrophobicContact CE1-CD2 3.5Å; F503-L507 VanDerWaalsContact CE1-CD2 3.5Å; F503-L507 HydrophobicContact CE2-CD1 4.39Å; F503-L507 HydrophobicContact CE2-CD2 3.94Å; F503-L507 HydrophobicContact CE2-CG 4.3Å; F503-L507 HydrophobicContact CG-CD2 4.03Å; F503-L507 HydrophobicContact CG-CG 4.27Å; F503-L507 HydrophobicContact CZ-CD2 3.63Å; F503-L507 HydrophobicContact CZ-CG 4.47Å; F503-H574 PolarHBondContact N-O 2.69Å; F503-H574 PolarHBondContact O-ND1 2.86Å; F503-V576 HydrophobicContact CD2-CG2 4.32Å; F503-V576 HydrophobicContact CE2-CB 4.28Å; F503-V576 HydrophobicContact CE2-CG2 4.14Å; F503-W578 HydrophobicContact CE2-CH2 4.28Å; F503-W578 HydrophobicContact CZ-CH2 4.32Å
504	V	96.2	Very high	95.5	Very high	30 Å²	30	36.1 Å²	36.1	18%	0.182	19%	0.188	C	C	.	.	S	Bend	trans	-77.8	-43.6	-177.4	171.9	0	0	0	0	111.9	T459 F460 T461 H502 Y835	T459-V504 HydrophobicContact CG2-CG2 4.09Å; F460-V504 PolarHBondContact O-N 2.83Å; T461-V504 HydrophobicContact CG2-CB 3.86Å; T461-V504 HydrophobicContact CG2-CG1 4.37Å; T461-V504 HydrophobicContact CG2-CG2 3.62Å; H502-V504 VanDerWaalsContact CE1-CG2 3.45Å; H502-V504 WeakPolarHBondContact CE1-CG2 3.49Å; V504-Y835 HydrophobicContact CG1-CD1 3.8Å; V504-Y835 HydrophobicContact CG1-CE1 4.45Å
505	E	95.8	Very high	95.5	Very high	87 Å²	87	33.9 Å²	33.9	41%	0.407	17%	0.172	S	C	.	.	S	Bend	trans	-101.3	9.6	179.1	-48.9	85.4	165	0	0	113.1	T461 N462 Q571	T461-E505 VanDerWaalsContact CA-OE2 3.23Å; T461-E505 WeakPolarHBondContact CA-OE2 3.36Å; N462-E505 PolarHBondContact N-OE1 3.46Å; N462-E505 PolarHBondContact N-OE2 3.07Å; E505-Q571 WeakPolarHBondContact O-CA 3.38Å
506	G	96.4	Very high	95.5	Very high	3 Å²	3	35.2 Å²	35.2	3%	0.031	18%	0.184	C	C	.	.			trans	80.6	-160	-177.7	0	0	0	0	0	114.8	I463 T570 I573	I463-G506 WeakPolarHBondContact CD1-O 3.47Å; G506-T570 CarbonylContact C-O 3.57Å; G506-T570 VanDerWaalsContact CA-O 3.29Å; G506-T570 WeakPolarHBondContact CA-O 3.44Å; G506-I573 WeakPolarHBondContact CA-O 3.35Å
507	L	96.3	Very high	95.5	Very high	5 Å²	5	35.5 Å²	35.5	3%	0.026	19%	0.185	C	C	.	.			trans	-107.9	160.3	-176.9	-77.3	177.2	0	0	0	113.1	I463 W467 F503 H509 Y515 T570 I573 V576	I463-L507 HydrophobicContact CD1-CD2 4.15Å; W467-L507 HydrophobicContact CE3-CD2 3.98Å; W467-L507 HydrophobicContact CZ3-CD2 4.09Å; F503-L507 HydrophobicContact CD1-CD2 3.71Å; F503-L507 HydrophobicContact CD1-CG 4.42Å; F503-L507 HydrophobicContact CD2-CD2 4.13Å; F503-L507 HydrophobicContact CD2-CG 4.19Å; F503-L507 HydrophobicContact CE1-CD2 3.5Å; F503-L507 VanDerWaalsContact CE1-CD2 3.5Å; F503-L507 HydrophobicContact CE2-CD1 4.39Å; F503-L507 HydrophobicContact CE2-CD2 3.94Å; F503-L507 HydrophobicContact CE2-CG 4.3Å; F503-L507 HydrophobicContact CG-CD2 4.03Å; F503-L507 HydrophobicContact CG-CG 4.27Å; F503-L507 HydrophobicContact CZ-CD2 3.63Å; F503-L507 HydrophobicContact CZ-CG 4.47Å; L507-H509 VanDerWaalsContact C-N 3.34Å; L507-H509 PolarHBondContact O-N 2.9Å; L507-Y515 HydrophobicContact CB-CE2 4.2Å; L507-Y515 HydrophobicContact CD1-CD2 3.91Å; L507-Y515 HydrophobicContact CD1-CE2 3.52Å; L507-Y515 HydrophobicContact CD2-CE2 4.5Å; L507-Y515 HydrophobicContact CG-CE2 4.3Å; L507-T570 PolarHBondContact N-O 2.94Å; L507-T570 WeakPolarHBondContact O-CB 3.17Å; L507-T570 PolarHBondContact O-OG1 3.44Å; L507-I573 HydrophobicContact CD1-CG2 3.9Å; L507-I573 HydrophobicContact CG-CG2 4.32Å; L507-V576 HydrophobicContact CD1-CG2 3.92Å
508	P	94.7	Very high	95.5	Very high	51 Å²	51	36.9 Å²	36.9	33%	0.331	20%	0.195	S	C	.	.	S	Bend	trans	-65.3	-30.4	178.9	-24.5	36	0	0	0	114.4	I463 W467 Y515	I463-P508 HydrophobicContact CD1-CG 4Å; W467-P508 HydrophobicContact CB-CG 4.26Å; P508-Y515 VanDerWaalsContact CD-OH 3.29Å; P508-Y515 WeakPolarHBondContact CD-OH 3.35Å
509	H	91.4	Very high	95.4	Very high	66 Å²	66	38.2 Å²	38.2	31%	0.306	20%	0.2	S	C	.	.			trans	-145.3	152.7	176	56.8	59.8	0	0	0	112.6	L507 N511 N514 Y515	L507-H509 VanDerWaalsContact C-N 3.34Å; L507-H509 PolarHBondContact O-N 2.9Å; H509-N511 PolarHBondContact CE1-O 2.82Å; H509-N511 PolarHBondContact ND1-O 2.89Å; H509-N514 VanDerWaalsContact CE1-CB 3.44Å; H509-N514 WeakPolarHBondContact CE1-CB 3.4Å; H509-Y515 AromaticContact CE1-CD1 4Å; H509-Y515 AromaticContact CE1-CE1 3.34Å; H509-Y515 WeakPolarHBondContact CE1-CE1 3.26Å; H509-Y515 AromaticContact CE1-CE2 3.45Å; H509-Y515 VanDerWaalsContact CE1-CE2 3.45Å; H509-Y515 WeakPolarHBondContact CE1-CE2 3.36Å; H509-Y515 AromaticContact CE1-CZ 3.02Å; H509-Y515 PolarHBondContact CE1-OH 2.81Å; H509-Y515 PolarHBondContact N-OH 3.35Å; H509-Y515 VanDerWaalsContact N-OH 3.12Å; H509-Y515 AromaticContact ND1-CE2 3.5Å; H509-Y515 AromaticContact ND1-CZ 3.31Å; H509-Y515 VanDerWaalsContact ND1-CZ 3.31Å; H509-Y515 PolarHBondContact ND1-OH 3.21Å; H509-Y515 AromaticContact NE2-CE1 3.7Å; H509-Y515 AromaticContact NE2-CZ 3.66Å; H509-Y515 PolarHBondContact NE2-OH 3.32Å; H509-Y515 WeakPolarHBondContact O-CE2 3.31Å; H509-Y515 PolarHBondContact O-OH 3.1Å
510	N	89.5	Confident	95.2	Very high	70 Å²	70	45 Å²	45	37%	0.374	23%	0.232	S	C	.	.	S	Bend	trans	-86.9	-9.1	180	61.5	-14.2	0	0	0	114.6	V512 I568 T570 I573	N510-V512 VanDerWaalsContact C-N 3.32Å; N510-V512 PolarHBondContact O-N 3.39Å; N510-I568 WeakPolarHBondContact CB-O 3.21Å; N510-T570 HydrophobicContact CB-CG2 4.09Å; N510-I573 HydrophobicContact CB-CD1 4.24Å
511	N	90.6	Very high	95	Very high	78 Å²	78	48.2 Å²	48.2	42%	0.417	27%	0.266	S	S	.	.			trans	-73.3	88.6	168.9	-179.3	6.5	0	0	0	109.8	H509 R513 N514	H509-N511 PolarHBondContact CE1-O 2.82Å; H509-N511 PolarHBondContact ND1-O 2.89Å; N511-R513 VanDerWaalsContact C-N 3.29Å; N511-R513 PolarHBondContact O-N 3.37Å; N511-R513 PolarHBondContact OD1-N 3.19Å; N511-N514 PolarHBondContact ND2-OD1 3.42Å; N511-N514 WeakPolarHBondContact O-CB 3.35Å; N511-N514 PolarHBondContact O-N 2.97Å
512	V	92.1	Very high	94.9	Very high	6 Å²	6	52.5 Å²	52.5	4%	0.036	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-74	-14.5	-174.3	-63.6	0	0	0	0	114.6	N510 N514 Y515 V526 I529 W550 L566 I573	N510-V512 VanDerWaalsContact C-N 3.32Å; N510-V512 PolarHBondContact O-N 3.39Å; V512-N514 PolarHBondContact O-N 2.9Å; V512-Y515 HydrophobicContact CB-CD2 4.3Å; V512-Y515 HydrophobicContact CG1-CD2 4.3Å; V512-Y515 PolarHBondContact O-N 2.77Å; V512-V526 HydrophobicContact CB-CB 4.45Å; V512-V526 HydrophobicContact CB-CG1 4.41Å; V512-V526 HydrophobicContact CB-CG2 4.31Å; V512-V526 HydrophobicContact CG2-CB 4.44Å; V512-V526 HydrophobicContact CG2-CG1 4.33Å; V512-I529 HydrophobicContact CB-CD1 4.42Å; V512-I529 HydrophobicContact CG1-CD1 3.81Å; V512-I529 HydrophobicContact CG2-CD1 4.16Å; V512-W550 HydrophobicContact CG2-CH2 3.91Å; V512-W550 HydrophobicContact CG2-CZ2 3.56Å; V512-L566 HydrophobicContact CB-CD2 4.44Å; V512-L566 HydrophobicContact CG1-CD2 3.8Å; V512-L566 HydrophobicContact CG2-CD2 3.78Å; V512-I573 HydrophobicContact CG1-CD1 4.45Å
513	R	90.6	Very high	94.8	Very high	147 Å²	147	57.8 Å²	57.8	56%	0.555	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-61.6	-30.4	172.2	-69.3	-178	173.8	159.6	0.7	111.7	N511 Y515 A516 Y544 G548	N511-R513 VanDerWaalsContact C-N 3.29Å; N511-R513 PolarHBondContact O-N 3.37Å; N511-R513 PolarHBondContact OD1-N 3.19Å; R513-Y515 PolarHBondContact O-N 3.32Å; R513-A516 WeakPolarHBondContact O-CB 3.33Å; R513-A516 PolarHBondContact O-N 3.18Å; R513-A516 VanDerWaalsContact O-N 3.11Å; R513-Y544 PolarHBondContact NE-OH 2.81Å; R513-Y544 PolarHBondContact NH2-OH 2.76Å; R513-G548 PolarHBondContact NH2-O 3.02Å
514	N	92.7	Very high	94.8	Very high	97 Å²	97	57.9 Å²	57.9	52%	0.519	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-67.1	-11.2	174.5	-68.1	8.2	0	0	0	113.7	H509 N511 V512	H509-N514 VanDerWaalsContact CE1-CB 3.44Å; H509-N514 WeakPolarHBondContact CE1-CB 3.4Å; N511-N514 PolarHBondContact ND2-OD1 3.42Å; N511-N514 WeakPolarHBondContact O-CB 3.35Å; N511-N514 PolarHBondContact O-N 2.97Å; V512-N514 PolarHBondContact O-N 2.9Å
515	Y	96.3	Very high	94.8	Very high	2 Å²	2	57.9 Å²	57.9	1%	0.008	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-97.7	4.1	173.5	-56.9	-56.4	0	0	0	113.5	W467 L507 P508 H509 V512 R513 W578	W467-Y515 HydrophobicContact CE3-CD1 4.25Å; W467-Y515 HydrophobicContact CE3-CE1 4.09Å; W467-Y515 HydrophobicContact CZ3-CD1 4.07Å; W467-Y515 HydrophobicContact CZ3-CE1 4.32Å; L507-Y515 HydrophobicContact CB-CE2 4.2Å; L507-Y515 HydrophobicContact CD1-CD2 3.91Å; L507-Y515 HydrophobicContact CD1-CE2 3.52Å; L507-Y515 HydrophobicContact CD2-CE2 4.5Å; L507-Y515 HydrophobicContact CG-CE2 4.3Å; P508-Y515 VanDerWaalsContact CD-OH 3.29Å; P508-Y515 WeakPolarHBondContact CD-OH 3.35Å; H509-Y515 AromaticContact CE1-CD1 4Å; H509-Y515 AromaticContact CE1-CE1 3.34Å; H509-Y515 WeakPolarHBondContact CE1-CE1 3.26Å; H509-Y515 AromaticContact CE1-CE2 3.45Å; H509-Y515 VanDerWaalsContact CE1-CE2 3.45Å; H509-Y515 WeakPolarHBondContact CE1-CE2 3.36Å; H509-Y515 AromaticContact CE1-CZ 3.02Å; H509-Y515 PolarHBondContact CE1-OH 2.81Å; H509-Y515 PolarHBondContact N-OH 3.35Å; H509-Y515 VanDerWaalsContact N-OH 3.12Å; H509-Y515 AromaticContact ND1-CE2 3.5Å; H509-Y515 AromaticContact ND1-CZ 3.31Å; H509-Y515 VanDerWaalsContact ND1-CZ 3.31Å; H509-Y515 PolarHBondContact ND1-OH 3.21Å; H509-Y515 AromaticContact NE2-CE1 3.7Å; H509-Y515 AromaticContact NE2-CZ 3.66Å; H509-Y515 PolarHBondContact NE2-OH 3.32Å; H509-Y515 WeakPolarHBondContact O-CE2 3.31Å; H509-Y515 PolarHBondContact O-OH 3.1Å; V512-Y515 HydrophobicContact CB-CD2 4.3Å; V512-Y515 HydrophobicContact CG1-CD2 4.3Å; V512-Y515 PolarHBondContact O-N 2.77Å; R513-Y515 PolarHBondContact O-N 3.32Å; Y515-W578 PolarHBondContact O-NE1 2.87Å
516	A	96.8	Very high	94.9	Very high	40 Å²	40	54.2 Å²	54.2	33%	0.331	29%	0.289	S	S	.	.			trans	-62.8	141.2	166.9	0	0	0	0	0	109.9	R513 Y524	R513-A516 WeakPolarHBondContact O-CB 3.33Å; R513-A516 PolarHBondContact O-N 3.18Å; R513-A516 VanDerWaalsContact O-N 3.11Å; A516-Y524 VanDerWaalsContact CA-O 3.28Å; A516-Y524 WeakPolarHBondContact CA-O 3.34Å
517	F	97.8	Very high	94.9	Very high	15 Å²	15	55 Å²	55	7%	0.066	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	163.4	-175.5	70.4	-78.3	0	0	0	111.8	P469 L470 L492 V495 F499 F519 R523 Y524 W578	P469-F517 HydrophobicContact CB-CD1 3.59Å; P469-F517 HydrophobicContact CB-CD2 4.23Å; P469-F517 HydrophobicContact CB-CE1 3.67Å; P469-F517 HydrophobicContact CB-CE2 4.3Å; P469-F517 HydrophobicContact CB-CG 3.88Å; P469-F517 HydrophobicContact CB-CZ 4.04Å; P469-F517 HydrophobicContact CG-CD1 3.63Å; P469-F517 HydrophobicContact CG-CE1 3.92Å; P469-F517 HydrophobicContact CG-CG 4.23Å; L470-F517 HydrophobicContact CD1-CB 4.4Å; L470-F517 HydrophobicContact CD2-CD2 3.93Å; L470-F517 HydrophobicContact CD2-CE2 4.44Å; L470-F517 HydrophobicContact CG-CB 4.37Å; L470-F517 HydrophobicContact CG-CD2 4.17Å; L492-F517 HydrophobicContact CD1-CE2 4.24Å; V495-F517 HydrophobicContact CG1-CZ 4.28Å; V495-F517 HydrophobicContact CG2-CE2 4.44Å; F499-F517 HydrophobicContact CD1-CE1 4.14Å; F499-F517 AromaticContact CD1-CZ 3.89Å; F499-F517 HydrophobicContact CD1-CZ 3.89Å; F499-F517 HydrophobicContact CE1-CZ 4.24Å; F517-F519 HydrophobicContact CD2-CB 4.23Å; F517-F519 HydrophobicContact CE2-CB 3.99Å; F517-R523 WeakPolarHBondContact O-CA 3.47Å; F517-R523 WeakPolarHBondContact O-CG 3.36Å; F517-Y524 HydrophobicContact CE1-CG 4.28Å; F517-Y524 HydrophobicContact CE2-CD2 4.05Å; F517-Y524 HydrophobicContact CE2-CG 4.38Å; F517-Y524 HydrophobicContact CZ-CD2 4.13Å; F517-Y524 HydrophobicContact CZ-CG 4Å; F517-Y524 PolarHBondContact N-O 2.9Å; F517-Y524 PolarHBondContact O-N 2.91Å; F517-W578 AromaticContact CD1-CD1 3.88Å; F517-W578 AromaticContact CD1-NE1 3.94Å; F517-W578 HydrophobicContact CE1-CB 4.43Å; F517-W578 AromaticContact CE1-CD1 3.64Å; F517-W578 HydrophobicContact CE1-CD2 4.4Å; F517-W578 AromaticContact CE1-CG 3.96Å; F517-W578 HydrophobicContact CE1-CG 3.96Å; F517-W578 AromaticContact CE1-NE1 3.9Å
518	S	97.4	Very high	95	Very high	57 Å²	57	54.8 Å²	54.8	40%	0.399	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	139.8	171.4	-69.3	0	0	0	0	110.9	K522	S518-K522 CarbonylContact C-O 3.57Å; S518-K522 WeakPolarHBondContact CA-O 3.5Å; S518-K522 WeakPolarHBondContact CB-O 3.49Å
519	F	96.9	Very high	95.1	Very high	30 Å²	30	52.3 Å²	52.3	13%	0.132	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	124.2	180	-174.8	-94.6	0	0	0	109.5	L470 L492 V495 F517 G521 K522 Y524	L470-F519 HydrophobicContact CD2-CD2 4.19Å; L492-F519 HydrophobicContact CB-CD2 4.27Å; L492-F519 HydrophobicContact CB-CE2 3.63Å; L492-F519 HydrophobicContact CB-CZ 3.98Å; V495-F519 HydrophobicContact CB-CD1 3.84Å; V495-F519 HydrophobicContact CB-CE1 4.24Å; V495-F519 HydrophobicContact CB-CG 4.4Å; V495-F519 HydrophobicContact CG2-CB 4.22Å; V495-F519 HydrophobicContact CG2-CD1 3.43Å; V495-F519 VanDerWaalsContact CG2-CD1 3.43Å; V495-F519 HydrophobicContact CG2-CD2 4.16Å; V495-F519 HydrophobicContact CG2-CE1 3.71Å; V495-F519 HydrophobicContact CG2-CE2 4.41Å; V495-F519 HydrophobicContact CG2-CG 3.67Å; V495-F519 HydrophobicContact CG2-CZ 4.2Å; F517-F519 HydrophobicContact CD2-CB 4.23Å; F517-F519 HydrophobicContact CE2-CB 3.99Å; F519-G521 VanDerWaalsContact C-N 3.28Å; F519-G521 PolarHBondContact O-N 3.38Å; F519-K522 PolarHBondContact N-O 3.33Å; F519-K522 PolarHBondContact O-N 2.96Å; F519-Y524 HydrophobicContact CB-CD2 4.45Å; F519-Y524 HydrophobicContact CB-CE2 4.28Å
520	Q	94.4	Very high	95.5	Very high	144 Å²	144	49.2 Å²	49.2	67%	0.673	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	45.2	-177.6	-61.9	176.2	5.8	0	0	113.1	E493 K522	E493-Q520 PolarHBondContact O-NE2 2.91Å; Q520-K522 VanDerWaalsContact C-N 3.26Å; Q520-K522 PolarHBondContact O-N 3.15Å
521	G	93.6	Very high	95.9	Very high	69 Å²	69	46.6 Å²	46.6	71%	0.711	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.3	-39.4	-179.6	0	0	0	0	0	114.6	F519	F519-G521 VanDerWaalsContact C-N 3.28Å; F519-G521 PolarHBondContact O-N 3.38Å
522	K	95.8	Very high	96.2	Very high	89 Å²	89	45.4 Å²	45.4	39%	0.387	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	146.1	178.3	-64.7	160	175.3	-81.2	0	111.6	S518 F519 Q520 Y524 E580	S518-K522 CarbonylContact C-O 3.57Å; S518-K522 WeakPolarHBondContact CA-O 3.5Å; S518-K522 WeakPolarHBondContact CB-O 3.49Å; F519-K522 PolarHBondContact N-O 3.33Å; F519-K522 PolarHBondContact O-N 2.96Å; Q520-K522 VanDerWaalsContact C-N 3.26Å; Q520-K522 PolarHBondContact O-N 3.15Å; K522-Y524 HydrophobicContact CB-CD2 4.49Å; K522-Y524 HydrophobicContact CB-CE2 3.79Å; K522-E580 HydrophobicContact CB-CG 4.24Å; K522-E580 HydrophobicContact CD-CG 4.45Å; K522-E580 HydrophobicContact CG-CG 4.33Å; K522-E580 IonicContact NZ-OE1 3.25Å; K522-E580 PolarHBondContact NZ-OE1 2.94Å; K522-E580 IonicContact NZ-OE2 3.91Å; K522-E580 PolarHBondContact NZ-OE2 3.41Å
523	R	97.1	Very high	96.4	Very high	127 Å²	127	45.7 Å²	45.7	48%	0.479	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	145.5	168.3	-167.1	171.1	-47.5	90.9	3.1	110.5	F517 E581	F517-R523 WeakPolarHBondContact O-CA 3.47Å; F517-R523 WeakPolarHBondContact O-CG 3.36Å; R523-E581 HydrophobicContact CB-CB 4.31Å; R523-E581 HydrophobicContact CB-CG 4.37Å; R523-E581 WeakPolarHBondContact CB-OE2 3.41Å; R523-E581 WeakPolarHBondContact CD-OE1 3.39Å; R523-E581 WeakPolarHBondContact CD-OE2 3.23Å; R523-E581 HydrophobicContact CG-CG 4.49Å; R523-E581 WeakPolarHBondContact CG-OE2 3.49Å; R523-E581 IonicContact CZ-OE2 2.61Å; R523-E581 IonicContact NE-OE2 2.77Å; R523-E581 IonicContact NH1-OE2 2.71Å; R523-E581 PolarHBondContact NH1-OE2 3.19Å; R523-E581 PolarHBondContact O-N 3.34Å
524	Y	97.8	Very high	96.5	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.008	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	122.8	-178.4	-72	-85	0	0	0	109.4	V495 P496 A516 F517 F519 K522 E579 E580	V495-Y524 HydrophobicContact CB-CE2 4.18Å; V495-Y524 HydrophobicContact CG1-CD1 4.16Å; V495-Y524 HydrophobicContact CG1-CD2 4.24Å; V495-Y524 HydrophobicContact CG1-CE1 3.69Å; V495-Y524 HydrophobicContact CG1-CE2 3.78Å; V495-Y524 HydrophobicContact CG1-CG 4.41Å; V495-Y524 VanDerWaalsContact CG1-CZ 3.48Å; V495-Y524 PolarHBondContact O-OH 3.25Å; P496-Y524 WeakPolarHBondContact O-CE1 3.46Å; A516-Y524 VanDerWaalsContact CA-O 3.28Å; A516-Y524 WeakPolarHBondContact CA-O 3.34Å; F517-Y524 HydrophobicContact CE1-CG 4.28Å; F517-Y524 HydrophobicContact CE2-CD2 4.05Å; F517-Y524 HydrophobicContact CE2-CG 4.38Å; F517-Y524 HydrophobicContact CZ-CD2 4.13Å; F517-Y524 HydrophobicContact CZ-CG 4Å; F517-Y524 PolarHBondContact N-O 2.9Å; F517-Y524 PolarHBondContact O-N 2.91Å; F519-Y524 HydrophobicContact CB-CD2 4.45Å; F519-Y524 HydrophobicContact CB-CE2 4.28Å; K522-Y524 HydrophobicContact CB-CD2 4.49Å; K522-Y524 HydrophobicContact CB-CE2 3.79Å; Y524-E579 WeakPolarHBondContact CA-O 3.39Å; Y524-E580 HydrophobicContact CD1-CB 4.21Å; Y524-E580 HydrophobicContact CE1-CB 3.72Å; Y524-E580 HydrophobicContact CE1-CG 4.28Å
525	S	96.7	Very high	96.4	Very high	31 Å²	31	49.2 Å²	49.2	22%	0.217	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	146.8	-179	-88.7	0	0	0	0	111	T527 W578 E579 E581	S525-T527 PolarHBondContact O-N 3.35Å; S525-W578 VanDerWaalsContact O-CA 3.26Å; S525-W578 WeakPolarHBondContact O-CA 3.39Å; S525-E579 PolarHBondContact N-O 3.12Å; S525-E579 PolarHBondContact O-N 2.91Å; S525-E581 VanDerWaalsContact CB-OE1 3.29Å; S525-E581 WeakPolarHBondContact CB-OE1 3.4Å; S525-E581 PolarHBondContact OG-OE1 3.07Å
526	V	97.3	Very high	96.2	Very high	10 Å²	10	53.8 Å²	53.8	6%	0.061	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	117.3	-178.7	-179.1	0	0	0	0	110.1	V512 I529 W550 V576 F577 W578	V512-V526 HydrophobicContact CB-CB 4.45Å; V512-V526 HydrophobicContact CB-CG1 4.41Å; V512-V526 HydrophobicContact CB-CG2 4.31Å; V512-V526 HydrophobicContact CG2-CB 4.44Å; V512-V526 HydrophobicContact CG2-CG1 4.33Å; V526-I529 HydrophobicContact CG1-CD1 4.24Å; V526-I529 HydrophobicContact CG1-CG1 3.96Å; V526-W550 HydrophobicContact CG1-CH2 4.15Å; V526-V576 HydrophobicContact CB-CG1 4.4Å; V526-V576 HydrophobicContact CG1-CG1 3.59Å; V526-V576 HydrophobicContact CG2-CG1 3.87Å; V526-F577 WeakPolarHBondContact CA-O 3.27Å; V526-W578 HydrophobicContact CG2-CD2 4.14Å; V526-W578 HydrophobicContact CG2-CG 4.12Å; V526-W578 HydrophobicContact CG2-CZ2 4.26Å
527	T	96.9	Very high	96	Very high	18 Å²	18	54.2 Å²	54.2	11%	0.11	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	-23.9	178.5	60.7	0	0	0	0	113.7	S525 Y544 F577 E579	S525-T527 PolarHBondContact O-N 3.35Å; T527-Y544 PolarHBondContact O-N 2.97Å; T527-F577 PolarHBondContact N-O 3.2Å; T527-E579 VanDerWaalsContact CB-OE1 3.24Å; T527-E579 WeakPolarHBondContact CB-OE1 3.49Å; T527-E579 HydrophobicContact CG2-CB 3.86Å; T527-E579 HydrophobicContact CG2-CG 4.21Å; T527-E579 WeakPolarHBondContact CG2-OE1 3.36Å; T527-E579 WeakPolarHBondContact OG1-CG 3.13Å; T527-E579 PolarHBondContact OG1-OE1 3.43Å
528	A	97.8	Very high	95.9	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.008	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	150.4	177.4	0	0	0	0	0	113.1	V328 W542 M543 F577	V328-A528 HydrophobicContact CG1-CB 4.06Å; V328-A528 HydrophobicContact CG2-CB 4.2Å; A528-W542 CarbonylContact C-O 3.54Å; A528-W542 VanDerWaalsContact CA-O 3.32Å; A528-W542 WeakPolarHBondContact CA-O 3.46Å; A528-M543 HydrophobicContact CB-CE 3.65Å; A528-M543 HydrophobicContact CB-SD 3.54Å; A528-M543 VanDerWaalsContact CB-SD 3.54Å; A528-F577 HydrophobicContact CB-CB 4.01Å; A528-F577 HydrophobicContact CB-CD2 3.99Å; A528-F577 HydrophobicContact CB-CG 4.24Å; A528-F577 PolarHBondContact N-O 2.63Å; A528-F577 PolarHBondContact O-N 3.44Å
529	I	98.4	Very high	95.8	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	136	174.7	-61.8	169.3	0	0	0	108.5	V512 V526 T541 W542 W550 L566 I568 I573 V575 V576	V512-I529 HydrophobicContact CB-CD1 4.42Å; V512-I529 HydrophobicContact CG1-CD1 3.81Å; V512-I529 HydrophobicContact CG2-CD1 4.16Å; V526-I529 HydrophobicContact CG1-CD1 4.24Å; V526-I529 HydrophobicContact CG1-CG1 3.96Å; I529-T541 CarbonylContact O-C 3.58Å; I529-T541 WeakPolarHBondContact O-CA 3.32Å; I529-W542 HydrophobicContact CB-CB 4.35Å; I529-W542 PolarHBondContact N-O 2.78Å; I529-W542 PolarHBondContact O-N 2.99Å; I529-W550 HydrophobicContact CD1-CH2 3.93Å; I529-W550 HydrophobicContact CD1-CZ3 4.07Å; I529-W550 HydrophobicContact CG1-CH2 4.43Å; I529-W550 HydrophobicContact CG1-CZ3 4.34Å; I529-L566 HydrophobicContact CD1-CD1 4.23Å; I529-L566 HydrophobicContact CD1-CD2 3.42Å; I529-L566 VanDerWaalsContact CD1-CD2 3.42Å; I529-L566 HydrophobicContact CD1-CG 4.46Å; I529-I568 HydrophobicContact CB-CD1 4.4Å; I529-I568 HydrophobicContact CD1-CD1 4.42Å; I529-I568 HydrophobicContact CG2-CD1 3.77Å; I529-I573 HydrophobicContact CG2-CG2 3.92Å; I529-V575 CarbonylContact C-O 3.6Å; I529-V575 VanDerWaalsContact CA-O 3.31Å; I529-V575 WeakPolarHBondContact CA-O 3.47Å; I529-V576 HydrophobicContact CG1-CG1 4.37Å; I529-V576 HydrophobicContact CG1-CG2 4.36Å
530	I	98.4	Very high	95.8	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	118.8	160.9	-56.4	171.7	0	0	0	107.4	V328 P414 F539 H574 V575 F577	V328-I530 HydrophobicContact CG2-CD1 4.17Å; V328-I530 HydrophobicContact CG2-CG1 3.91Å; P414-I530 HydrophobicContact CB-CD1 3.87Å; P414-I530 HydrophobicContact CG-CD1 4.09Å; P414-I530 HydrophobicContact CG-CG2 4.24Å; I530-F539 HydrophobicContact CG2-CB 4.13Å; I530-F539 HydrophobicContact CG2-CD1 3.97Å; I530-F539 HydrophobicContact CG2-CG 4.5Å; I530-H574 WeakPolarHBondContact O-CB 3.34Å; I530-H574 PolarHBondContact O-N 3.21Å; I530-V575 HydrophobicContact CB-CB 4.13Å; I530-V575 HydrophobicContact CB-CG2 4.48Å; I530-V575 HydrophobicContact CD1-CB 4.43Å; I530-V575 HydrophobicContact CG1-CB 4.5Å; I530-V575 PolarHBondContact N-O 3.45Å; I530-V575 PolarHBondContact O-N 2.65Å; I530-F577 HydrophobicContact CD1-CE2 4.02Å; I530-F577 HydrophobicContact CD1-CZ 4.28Å; I530-F577 HydrophobicContact CG1-CE2 4.08Å
531	Q	97.9	Very high	95.9	Very high	15 Å²	15	43.8 Å²	43.8	7%	0.07	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	141.7	169.2	-179.8	-178	1.8	0	0	109.6	F539 I540 I568 E572	Q531-F539 VanDerWaalsContact O-CA 3.29Å; Q531-F539 WeakPolarHBondContact O-CA 3.43Å; Q531-I540 HydrophobicContact CB-CB 4.29Å; Q531-I540 PolarHBondContact N-O 2.89Å; Q531-I540 PolarHBondContact O-N 2.73Å; Q531-I540 VanDerWaalsContact O-N 3.09Å; Q531-I568 HydrophobicContact CB-CD1 4.29Å; Q531-I568 HydrophobicContact CB-CG2 4.27Å; Q531-I568 HydrophobicContact CG-CG2 3.76Å; Q531-E572 CarbonylContact C-O 3.58Å; Q531-E572 WeakPolarHBondContact CA-O 3.27Å; Q531-E572 HydrophobicContact CG-CB 3.85Å; Q531-E572 PolarHBondContact NE2-OE2 3.25Å
532	Y	97.7	Very high	96.1	Very high	53 Å²	53	41 Å²	41	21%	0.208	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	103.3	161	180	-115.8	0	0	0	109.4	Q534 N537 F539 E572	Y532-Q534 HydrophobicContact CD1-CG 4.14Å; Y532-Q534 HydrophobicContact CE1-CG 4.31Å; Y532-Q534 PolarHBondContact O-N 3.25Å; Y532-Q534 VanDerWaalsContact O-N 3.13Å; Y532-N537 PolarHBondContact OH-OD1 2.96Å; Y532-F539 AromaticContact CD2-CD1 3.69Å; Y532-F539 HydrophobicContact CD2-CD1 3.69Å; Y532-F539 HydrophobicContact CD2-CD2 4.35Å; Y532-F539 AromaticContact CD2-CE1 3.34Å; Y532-F539 HydrophobicContact CD2-CE1 3.34Å; Y532-F539 HydrophobicContact CD2-CE2 4.05Å; Y532-F539 HydrophobicContact CD2-CG 4.19Å; Y532-F539 AromaticContact CD2-CZ 3.54Å; Y532-F539 HydrophobicContact CD2-CZ 3.54Å; Y532-F539 HydrophobicContact CE2-CE1 4.16Å; Y532-F539 HydrophobicContact CE2-CE2 4.16Å; Y532-F539 AromaticContact CE2-CZ 3.88Å; Y532-F539 HydrophobicContact CE2-CZ 3.88Å; Y532-F539 HydrophobicContact CG-CD1 4.32Å; Y532-F539 AromaticContact CG-CE1 3.9Å; Y532-F539 HydrophobicContact CG-CE1 3.9Å; Y532-F539 HydrophobicContact CG-CZ 4.4Å; Y532-E572 PolarHBondContact N-O 2.88Å; Y532-E572 WeakPolarHBondContact O-CB 3.44Å; Y532-E572 WeakPolarHBondContact O-CG 3.44Å
533	S	95.6	Very high	96	Very high	11 Å²	11	37.3 Å²	37.3	8%	0.077	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	107.7	175.2	-174.9	0	0	0	0	109.5	R535 L536 N537 H538 E572	S533-R535 PolarHBondContact O-N 3.49Å; S533-L536 PolarHBondContact O-N 3.13Å; S533-N537 VanDerWaalsContact O-CA 3.28Å; S533-N537 WeakPolarHBondContact O-CA 3.37Å; S533-N537 PolarHBondContact O-N 3.47Å; S533-H538 PolarHBondContact N-O 3.24Å; S533-H538 PolarHBondContact O-N 2.88Å; S533-E572 WeakPolarHBondContact CA-OE1 3.48Å
534	Q	92.2	Very high	95.9	Very high	93 Å²	93	34.4 Å²	34.4	44%	0.435	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-30.5	-177.2	-60.5	-179.1	14.7	0	0	111.1	Y532 N537 Q571 E572	Y532-Q534 HydrophobicContact CD1-CG 4.14Å; Y532-Q534 HydrophobicContact CE1-CG 4.31Å; Y532-Q534 PolarHBondContact O-N 3.25Å; Y532-Q534 VanDerWaalsContact O-N 3.13Å; Q534-N537 PolarHBondContact O-ND2 2.97Å; Q534-N537 VanDerWaalsContact O-ND2 3.15Å; Q534-Q571 PolarHBondContact NE2-O 2.81Å; Q534-E572 HydrophobicContact CG-CG 4.35Å; Q534-E572 PolarHBondContact N-OE1 3.41Å
535	R	92.5	Very high	95.5	Very high	226 Å²	226	36.6 Å²	36.6	85%	0.853	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-43.7	178.6	-60.5	-176.6	-177.8	-168.2	1.5	112.4	S533	S533-R535 PolarHBondContact O-N 3.49Å
536	L	91.6	Very high	95	Very high	97 Å²	97	43.1 Å²	43.1	51%	0.508	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-17.9	-178.2	-60.8	-180	0	0	0	112.5	S533 H538 L556	S533-L536 PolarHBondContact O-N 3.13Å; L536-H538 HydrophobicContact CB-CB 3.73Å; L536-L556 HydrophobicContact CD1-CD1 4.43Å
537	N	92.3	Very high	94.6	Very high	49 Å²	49	48 Å²	48	26%	0.262	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	54.9	-167.9	-63.5	-113.7	0	0	0	110.5	R411 Y532 S533 Q534	R411-N537 PolarHBondContact NE-O 3.32Å; Y532-N537 PolarHBondContact OH-OD1 2.96Å; S533-N537 VanDerWaalsContact O-CA 3.28Å; S533-N537 WeakPolarHBondContact O-CA 3.37Å; S533-N537 PolarHBondContact O-N 3.47Å; Q534-N537 PolarHBondContact O-ND2 2.97Å; Q534-N537 VanDerWaalsContact O-ND2 3.15Å
538	H	94.9	Very high	94.2	Very high	6 Å²	6	47.7 Å²	47.7	3%	0.028	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	146.2	-166	169.4	53.2	0	0	0	109.8	C320 S533 L536 I540 D554 D555	C320-H538 WeakPolarHBondContact CB-ND1 3.36Å; C320-H538 PolarHBondContact SG-ND1 3.43Å; S533-H538 PolarHBondContact N-O 3.24Å; S533-H538 PolarHBondContact O-N 2.88Å; L536-H538 HydrophobicContact CB-CB 3.73Å; H538-I540 VanDerWaalsContact NE2-CG1 3.31Å; H538-I540 WeakPolarHBondContact NE2-CG1 3.37Å; H538-D554 IonicContact NE2-OD1 2.81Å; H538-D554 PolarHBondContact NE2-OD1 2.88Å; H538-D555 IonicContact CE1-OD1 3.97Å; H538-D555 PolarHBondContact CE1-OD1 3.14Å; H538-D555 IonicContact ND1-OD1 3.51Å; H538-D555 IonicContact NE2-OD1 2.69Å
539	F	96.9	Very high	94	Very high	14 Å²	14	47.7 Å²	47.7	6%	0.061	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	130.8	178.9	-62	-82.9	0	0	0	110.6	W321 S324 E412 P414 I530 Q531 Y532 H574	W321-F539 HydrophobicContact CB-CD2 3.66Å; W321-F539 HydrophobicContact CB-CE2 3.77Å; S324-F539 VanDerWaalsContact OG-CB 3.24Å; S324-F539 WeakPolarHBondContact OG-CB 3.28Å; S324-F539 PolarHBondContact OG-O 2.86Å; E412-F539 WeakPolarHBondContact O-CE2 3.15Å; P414-F539 HydrophobicContact CG-CD1 3.98Å; P414-F539 HydrophobicContact CG-CE1 4.16Å; P414-F539 HydrophobicContact CG-CG 4.21Å; I530-F539 HydrophobicContact CG2-CB 4.13Å; I530-F539 HydrophobicContact CG2-CD1 3.97Å; I530-F539 HydrophobicContact CG2-CG 4.5Å; Q531-F539 VanDerWaalsContact O-CA 3.29Å; Q531-F539 WeakPolarHBondContact O-CA 3.43Å; Y532-F539 AromaticContact CD2-CD1 3.69Å; Y532-F539 HydrophobicContact CD2-CD1 3.69Å; Y532-F539 HydrophobicContact CD2-CD2 4.35Å; Y532-F539 AromaticContact CD2-CE1 3.34Å; Y532-F539 HydrophobicContact CD2-CE1 3.34Å; Y532-F539 HydrophobicContact CD2-CE2 4.05Å; Y532-F539 HydrophobicContact CD2-CG 4.19Å; Y532-F539 AromaticContact CD2-CZ 3.54Å; Y532-F539 HydrophobicContact CD2-CZ 3.54Å; Y532-F539 HydrophobicContact CE2-CE1 4.16Å; Y532-F539 HydrophobicContact CE2-CE2 4.16Å; Y532-F539 AromaticContact CE2-CZ 3.88Å; Y532-F539 HydrophobicContact CE2-CZ 3.88Å; Y532-F539 HydrophobicContact CG-CD1 4.32Å; Y532-F539 AromaticContact CG-CE1 3.9Å; Y532-F539 HydrophobicContact CG-CE1 3.9Å; Y532-F539 HydrophobicContact CG-CZ 4.4Å; F539-H574 AromaticContact CE1-CD2 3.59Å; F539-H574 AromaticContact CE1-NE2 3.8Å
540	I	96.2	Very high	93.8	Very high	8 Å²	8	48.2 Å²	48.2	4%	0.041	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	131.1	179	-58.9	168.5	0	0	0	107.5	Q531 H538 E552 D554	Q531-I540 HydrophobicContact CB-CB 4.29Å; Q531-I540 PolarHBondContact N-O 2.89Å; Q531-I540 PolarHBondContact O-N 2.73Å; Q531-I540 VanDerWaalsContact O-N 3.09Å; H538-I540 VanDerWaalsContact NE2-CG1 3.31Å; H538-I540 WeakPolarHBondContact NE2-CG1 3.37Å; I540-E552 HydrophobicContact CG2-CG 3.77Å; I540-D554 HydrophobicContact CD1-CB 4.43Å; I540-D554 HydrophobicContact CG1-CB 4.18Å; I540-D554 HydrophobicContact CG2-CB 4.09Å
541	T	96.9	Very high	93.6	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	139.2	174.7	-76.7	0	0	0	0	110.8	S324 A327 V328 I529 M543 Y553	S324-T541 VanDerWaalsContact C-OG1 3.31Å; S324-T541 WeakPolarHBondContact CA-OG1 3.49Å; S324-T541 VanDerWaalsContact CB-OG1 3.28Å; S324-T541 WeakPolarHBondContact CB-OG1 3.5Å; S324-T541 PolarHBondContact O-OG1 3.19Å; A327-T541 HydrophobicContact CB-CG2 4.01Å; V328-T541 HydrophobicContact CG2-CG2 3.6Å; I529-T541 CarbonylContact O-C 3.58Å; I529-T541 WeakPolarHBondContact O-CA 3.32Å; T541-M543 HydrophobicContact CG2-CG 4.12Å; T541-M543 HydrophobicContact CG2-SD 3.78Å; T541-Y553 HydrophobicContact CG2-CD2 4.33Å; T541-Y553 PolarHBondContact N-O 2.92Å; T541-Y553 WeakPolarHBondContact O-CA 3.42Å; T541-Y553 WeakPolarHBondContact O-CB 3.44Å; T541-Y553 PolarHBondContact O-N 3.25Å
542	W	96.8	Very high	93.4	Very high	9 Å²	9	48.5 Å²	48.5	3%	0.034	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	121.2	176.3	-64.1	77.5	0	0	0	108.7	A528 I529 W550 L551 E552 H563 L566 I568	A528-W542 CarbonylContact C-O 3.54Å; A528-W542 VanDerWaalsContact CA-O 3.32Å; A528-W542 WeakPolarHBondContact CA-O 3.46Å; I529-W542 HydrophobicContact CB-CB 4.35Å; I529-W542 PolarHBondContact N-O 2.78Å; I529-W542 PolarHBondContact O-N 2.99Å; W542-W550 HydrophobicContact CB-CE3 4.03Å; W542-W550 HydrophobicContact CB-CZ3 4.4Å; W542-W550 HydrophobicContact CE3-CB 4.23Å; W542-L551 WeakPolarHBondContact CA-O 3.45Å; W542-E552 HydrophobicContact CD2-CB 4.39Å; W542-E552 HydrophobicContact CD2-CG 4.25Å; W542-E552 HydrophobicContact CE3-CB 4.09Å; W542-E552 HydrophobicContact CE3-CG 4.35Å; W542-E552 HydrophobicContact CH2-CB 4.14Å; W542-E552 HydrophobicContact CH2-CG 3.86Å; W542-E552 HydrophobicContact CZ2-CB 4.45Å; W542-E552 HydrophobicContact CZ2-CG 3.75Å; W542-E552 HydrophobicContact CZ3-CB 3.97Å; W542-E552 HydrophobicContact CZ3-CG 4.17Å; W542-H563 AromaticContact CH2-CD2 3.99Å; W542-H563 AromaticContact CH2-NE2 3.97Å; W542-H563 HydrophobicContact CZ3-CB 4.44Å; W542-H563 AromaticContact CZ3-CD2 3.51Å; W542-H563 AromaticContact CZ3-NE2 3.97Å; W542-L566 HydrophobicContact CB-CD1 4.18Å; W542-L566 HydrophobicContact CD2-CD1 4.04Å; W542-L566 HydrophobicContact CE3-CD1 3.88Å; W542-L566 HydrophobicContact CG-CD1 4.21Å; W542-I568 HydrophobicContact CB-CD1 4.41Å; W542-I568 HydrophobicContact CD2-CD1 4.07Å; W542-I568 HydrophobicContact CD2-CG1 4.2Å; W542-I568 HydrophobicContact CG-CD1 3.77Å; W542-I568 HydrophobicContact CG-CG1 4.41Å; W542-I568 HydrophobicContact CZ2-CG1 4.23Å
543	M	94.8	Very high	93.1	Very high	12 Å²	12	46.6 Å²	46.6	6%	0.059	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	139.2	178.8	-59.4	-59.4	-50	0	0	110.3	V328 N331 A528 T541 W550 L551 Y553	V328-M543 HydrophobicContact CG2-SD 4.41Å; N331-M543 HydrophobicContact CB-CE 3.7Å; N331-M543 HydrophobicContact CB-CG 4.41Å; N331-M543 HydrophobicContact CB-SD 4.22Å; A528-M543 HydrophobicContact CB-CE 3.65Å; A528-M543 HydrophobicContact CB-SD 3.54Å; A528-M543 VanDerWaalsContact CB-SD 3.54Å; T541-M543 HydrophobicContact CG2-CG 4.12Å; T541-M543 HydrophobicContact CG2-SD 3.78Å; M543-W550 CarbonylContact O-C 3.47Å; M543-W550 WeakPolarHBondContact O-CA 3.48Å; M543-L551 PolarHBondContact N-O 2.86Å; M543-L551 PolarHBondContact O-N 3.45Å; M543-Y553 HydrophobicContact CB-CE2 4.08Å; M543-Y553 HydrophobicContact CG-CD2 4.02Å; M543-Y553 HydrophobicContact CG-CE2 3.46Å; M543-Y553 VanDerWaalsContact CG-CE2 3.46Å
544	Y	94	Very high	93	Very high	67 Å²	67	46.8 Å²	46.8	26%	0.263	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	130.2	176	-171.6	-119.9	0	0	0	111.4	R513 T527 G548 S549 W550	R513-Y544 PolarHBondContact NE-OH 2.81Å; R513-Y544 PolarHBondContact NH2-OH 2.76Å; T527-Y544 PolarHBondContact O-N 2.97Å; Y544-G548 WeakPolarHBondContact CE2-O 3.45Å; Y544-S549 WeakPolarHBondContact CD2-O 3.42Å; Y544-W550 AromaticContact CD2-CD2 3.99Å; Y544-W550 HydrophobicContact CD2-CD2 3.99Å; Y544-W550 AromaticContact CD2-CE2 3.48Å; Y544-W550 VanDerWaalsContact CD2-CE2 3.48Å; Y544-W550 HydrophobicContact CD2-CG 4.43Å; Y544-W550 HydrophobicContact CD2-CH2 4.26Å; Y544-W550 AromaticContact CD2-CZ2 3.63Å; Y544-W550 HydrophobicContact CD2-CZ2 3.63Å; Y544-W550 AromaticContact CD2-NE1 3.61Å; Y544-W550 HydrophobicContact CE2-CZ2 4.36Å; Y544-W550 AromaticContact CE2-NE1 3.9Å; Y544-W550 HydrophobicContact CG-CH2 4.37Å; Y544-W550 HydrophobicContact CG-CZ2 4.15Å
545	N	89.9	Confident	92.8	Very high	47 Å²	47	42.9 Å²	42.9	25%	0.251	20%	0.2	S	C	.	.			trans	-97.2	156.4	178.5	-63.8	-34.5	0	0	0	111.1	D547 G548 S549	N545-D547 VanDerWaalsContact C-N 3.26Å; N545-D547 WeakPolarHBondContact CB-OD1 3.16Å; N545-D547 PolarHBondContact O-N 2.88Å; N545-G548 PolarHBondContact O-N 2.88Å; N545-S549 WeakPolarHBondContact CB-O 3.29Å; N545-S549 PolarHBondContact N-O 3.41Å; N545-S549 PolarHBondContact ND2-OG 3.35Å
546	E	86.2	Confident	92.6	Very high	168 Å²	168	36.6 Å²	36.6	79%	0.785	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71	-20	-178.7	-69.3	168.6	-172.7	0	0	113.5	K333 G548	K333-E546 IonicContact NZ-OE1 2.73Å; K333-E546 PolarHBondContact NZ-OE1 3.22Å; E546-G548 PolarHBondContact O-N 3.37Å
547	D	88.3	Confident	92.3	Very high	114 Å²	114	34.8 Å²	34.8	61%	0.61	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-1.9	168.9	72.8	-14.1	0	0	0	113.2	N545 S549	N545-D547 VanDerWaalsContact C-N 3.26Å; N545-D547 WeakPolarHBondContact CB-OD1 3.16Å; N545-D547 PolarHBondContact O-N 2.88Å; D547-S549 VanDerWaalsContact CG-OG 3.28Å; D547-S549 VanDerWaalsContact OD1-CB 3.23Å; D547-S549 WeakPolarHBondContact OD1-CB 3.36Å; D547-S549 PolarHBondContact OD1-N 2.96Å; D547-S549 PolarHBondContact OD1-OG 3.42Å; D547-S549 PolarHBondContact OD2-OG 3.39Å
548	G	89.1	Confident	91.3	Very high	11 Å²	11	40.3 Å²	40.3	11%	0.113	20%	0.201	C	C	.	.	S	Bend	trans	86.6	1.2	-178.5	0	0	0	0	0	115	R513 Y544 N545 E546	R513-G548 PolarHBondContact NH2-O 3.02Å; Y544-G548 WeakPolarHBondContact CE2-O 3.45Å; N545-G548 PolarHBondContact O-N 2.88Å; E546-G548 PolarHBondContact O-N 3.37Å
549	S	93.1	Very high	90.5	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.22	C	C	.	.			trans	-84.2	172.2	175.4	73.8	0	0	0	0	112.9	Y544 N545 D547 T562 H563	Y544-S549 WeakPolarHBondContact CD2-O 3.42Å; N545-S549 WeakPolarHBondContact CB-O 3.29Å; N545-S549 PolarHBondContact N-O 3.41Å; N545-S549 PolarHBondContact ND2-OG 3.35Å; D547-S549 VanDerWaalsContact CG-OG 3.28Å; D547-S549 VanDerWaalsContact OD1-CB 3.23Å; D547-S549 WeakPolarHBondContact OD1-CB 3.36Å; D547-S549 PolarHBondContact OD1-N 2.96Å; D547-S549 PolarHBondContact OD1-OG 3.42Å; D547-S549 PolarHBondContact OD2-OG 3.39Å; S549-T562 WeakPolarHBondContact OG-CG2 3.27Å; S549-H563 CarbonylContact C-O 3.53Å; S549-H563 WeakPolarHBondContact CA-O 3.23Å; S549-H563 WeakPolarHBondContact CB-O 3.42Å
550	W	94.5	Very high	89.7	Confident	11 Å²	11	42.6 Å²	42.6	4%	0.042	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	131	176.3	-71.2	85.3	0	0	0	110.5	V512 V526 I529 W542 M543 Y544 T562 H563 L566	V512-W550 HydrophobicContact CG2-CH2 3.91Å; V512-W550 HydrophobicContact CG2-CZ2 3.56Å; V526-W550 HydrophobicContact CG1-CH2 4.15Å; I529-W550 HydrophobicContact CD1-CH2 3.93Å; I529-W550 HydrophobicContact CD1-CZ3 4.07Å; I529-W550 HydrophobicContact CG1-CH2 4.43Å; I529-W550 HydrophobicContact CG1-CZ3 4.34Å; W542-W550 HydrophobicContact CB-CE3 4.03Å; W542-W550 HydrophobicContact CB-CZ3 4.4Å; W542-W550 HydrophobicContact CE3-CB 4.23Å; M543-W550 CarbonylContact O-C 3.47Å; M543-W550 WeakPolarHBondContact O-CA 3.48Å; Y544-W550 AromaticContact CD2-CD2 3.99Å; Y544-W550 HydrophobicContact CD2-CD2 3.99Å; Y544-W550 AromaticContact CD2-CE2 3.48Å; Y544-W550 VanDerWaalsContact CD2-CE2 3.48Å; Y544-W550 HydrophobicContact CD2-CG 4.43Å; Y544-W550 HydrophobicContact CD2-CH2 4.26Å; Y544-W550 AromaticContact CD2-CZ2 3.63Å; Y544-W550 HydrophobicContact CD2-CZ2 3.63Å; Y544-W550 AromaticContact CD2-NE1 3.61Å; Y544-W550 HydrophobicContact CE2-CZ2 4.36Å; Y544-W550 AromaticContact CE2-NE1 3.9Å; Y544-W550 HydrophobicContact CG-CH2 4.37Å; Y544-W550 HydrophobicContact CG-CZ2 4.15Å; W550-T562 CarbonylContact O-C 3.53Å; W550-T562 WeakPolarHBondContact O-CA 3.23Å; W550-H563 PolarHBondContact N-O 3.49Å; W550-H563 PolarHBondContact O-N 3.14Å; W550-L566 HydrophobicContact CD2-CB 4.42Å; W550-L566 HydrophobicContact CD2-CD1 3.74Å; W550-L566 HydrophobicContact CE3-CD1 3.84Å; W550-L566 HydrophobicContact CG-CB 4.43Å; W550-L566 HydrophobicContact CG-CD1 4.13Å; W550-L566 HydrophobicContact CZ2-CD2 4.46Å; W550-L566 HydrophobicContact CZ3-CD1 4.28Å
551	L	93.5	Very high	89.2	Confident	10 Å²	10	46.4 Å²	46.4	5%	0.052	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	121.8	174.8	-171.6	64	0	0	0	110	Q310 W542 M543 Y553 C560	Q310-L551 HydrophobicContact CB-CD2 4.45Å; W542-L551 WeakPolarHBondContact CA-O 3.45Å; M543-L551 PolarHBondContact N-O 2.86Å; M543-L551 PolarHBondContact O-N 3.45Å; L551-Y553 HydrophobicContact CB-CE2 4.16Å; L551-Y553 HydrophobicContact CD2-CE2 3.65Å; L551-Y553 HydrophobicContact CG-CD2 4.35Å; L551-Y553 HydrophobicContact CG-CE2 3.73Å; L551-C560 HydrophobicContact CD1-CB 3.56Å; L551-C560 HydrophobicContact CG-CB 4.1Å
552	E	94.2	Very high	88.9	Confident	12 Å²	12	48.9 Å²	48.9	6%	0.056	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	129.7	-178.9	-173.1	-174	-179.6	0	0	111.6	I540 W542 D554 K557 C560 E561 H563	I540-E552 HydrophobicContact CG2-CG 3.77Å; W542-E552 HydrophobicContact CD2-CB 4.39Å; W542-E552 HydrophobicContact CD2-CG 4.25Å; W542-E552 HydrophobicContact CE3-CB 4.09Å; W542-E552 HydrophobicContact CE3-CG 4.35Å; W542-E552 HydrophobicContact CH2-CB 4.14Å; W542-E552 HydrophobicContact CH2-CG 3.86Å; W542-E552 HydrophobicContact CZ2-CB 4.45Å; W542-E552 HydrophobicContact CZ2-CG 3.75Å; W542-E552 HydrophobicContact CZ3-CB 3.97Å; W542-E552 HydrophobicContact CZ3-CG 4.17Å; E552-D554 HydrophobicContact CG-CB 4.49Å; E552-K557 WeakPolarHBondContact OE1-CE 3.25Å; E552-K557 IonicContact OE1-NZ 3.25Å; E552-K557 PolarHBondContact OE1-NZ 3.24Å; E552-K557 IonicContact OE2-NZ 3.84Å; E552-K557 PolarHBondContact OE2-NZ 3.41Å; E552-C560 WeakPolarHBondContact O-CA 3.39Å; E552-C560 WeakPolarHBondContact O-CB 3.45Å; E552-E561 PolarHBondContact N-O 3.18Å; E552-H563 IonicContact OE2-CD2 3.22Å; E552-H563 IonicContact OE2-CE1 3.92Å; E552-H563 IonicContact OE2-NE2 2.65Å; E552-H563 PolarHBondContact OE2-NE2 3.1Å
553	Y	92.3	Very high	88.7	Confident	13 Å²	13	50 Å²	50	5%	0.051	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	80.1	176.8	-67.9	-109.4	0	0	0	109	Q310 L312 A327 N331 T541 M543 L551	Q310-Y553 HydrophobicContact CG-CE1 4.2Å; Q310-Y553 PolarHBondContact NE2-OH 3.48Å; Q310-Y553 VanDerWaalsContact NE2-OH 3.15Å; Q310-Y553 PolarHBondContact OE1-OH 2.91Å; L312-Y553 HydrophobicContact CD2-CD1 3.66Å; L312-Y553 HydrophobicContact CD2-CE1 4.41Å; L312-Y553 HydrophobicContact CD2-CG 4.32Å; A327-Y553 HydrophobicContact CB-CD1 3.74Å; A327-Y553 HydrophobicContact CB-CE1 4.18Å; A327-Y553 HydrophobicContact CB-CG 4.13Å; N331-Y553 PolarHBondContact ND2-OH 3.19Å; T541-Y553 HydrophobicContact CG2-CD2 4.33Å; T541-Y553 PolarHBondContact N-O 2.92Å; T541-Y553 WeakPolarHBondContact O-CA 3.42Å; T541-Y553 WeakPolarHBondContact O-CB 3.44Å; T541-Y553 PolarHBondContact O-N 3.25Å; M543-Y553 HydrophobicContact CB-CE2 4.08Å; M543-Y553 HydrophobicContact CG-CD2 4.02Å; M543-Y553 HydrophobicContact CG-CE2 3.46Å; M543-Y553 VanDerWaalsContact CG-CE2 3.46Å; L551-Y553 HydrophobicContact CB-CE2 4.16Å; L551-Y553 HydrophobicContact CD2-CE2 3.65Å; L551-Y553 HydrophobicContact CG-CD2 4.35Å; L551-Y553 HydrophobicContact CG-CE2 3.73Å
554	D	92.3	Very high	88.6	Confident	15 Å²	15	55.5 Å²	55.5	8%	0.08	29%	0.286	C	S	.	.			trans	-97.1	120.3	168.5	177.1	-20	0	0	0	107.8	H538 I540 E552 L556 K557	H538-D554 IonicContact NE2-OD1 2.81Å; H538-D554 PolarHBondContact NE2-OD1 2.88Å; I540-D554 HydrophobicContact CD1-CB 4.43Å; I540-D554 HydrophobicContact CG1-CB 4.18Å; I540-D554 HydrophobicContact CG2-CB 4.09Å; E552-D554 HydrophobicContact CG-CB 4.49Å; D554-L556 PolarHBondContact O-N 3.42Å; D554-L556 WeakPolarHBondContact OD1-CA 3.4Å; D554-L556 WeakPolarHBondContact OD1-CB 3.41Å; D554-L556 PolarHBondContact OD1-N 3.32Å; D554-K557 HydrophobicContact CB-CB 4.17Å; D554-K557 HydrophobicContact CB-CD 3.84Å; D554-K557 HydrophobicContact CB-CG 3.81Å; D554-K557 PolarHBondContact O-N 2.93Å; D554-K557 PolarHBondContact OD1-N 3.1Å; D554-K557 WeakPolarHBondContact OD2-CE 3.4Å
555	D	88.8	Confident	88.3	Confident	11 Å²	11	59.2 Å²	59.2	6%	0.059	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-8.9	-176.5	79.3	-10.9	0	0	0	113.5	N315 C320 D323 H538	N315-D555 VanDerWaalsContact CA-OD2 3.25Å; N315-D555 WeakPolarHBondContact CA-OD2 3.47Å; N315-D555 HydrophobicContact CB-CB 4.12Å; N315-D555 WeakPolarHBondContact CB-O 3.39Å; N315-D555 VanDerWaalsContact CB-OD1 3.28Å; N315-D555 WeakPolarHBondContact CB-OD1 3.39Å; N315-D555 VanDerWaalsContact CB-OD2 3.32Å; N315-D555 WeakPolarHBondContact CB-OD2 3.38Å; N315-D555 VanDerWaalsContact CG-OD2 3.27Å; N315-D555 PolarHBondContact N-O 2.97Å; N315-D555 VanDerWaalsContact ND2-CG 3.29Å; N315-D555 PolarHBondContact ND2-OD1 3.05Å; N315-D555 PolarHBondContact ND2-OD2 2.86Å; N315-D555 VanDerWaalsContact ND2-OD2 3.16Å; C320-D555 VanDerWaalsContact CA-OD2 3.26Å; C320-D555 WeakPolarHBondContact CA-OD2 3.46Å; C320-D555 VanDerWaalsContact CB-OD2 3.22Å; C320-D555 WeakPolarHBondContact CB-OD2 3.28Å; D323-D555 HydrophobicContact CB-CB 4.43Å; H538-D555 IonicContact CE1-OD1 3.97Å; H538-D555 PolarHBondContact CE1-OD1 3.14Å; H538-D555 IonicContact ND1-OD1 3.51Å; H538-D555 IonicContact NE2-OD1 2.69Å
556	L	88.5	Confident	88.3	Confident	95 Å²	95	57.9 Å²	57.9	50%	0.497	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-19	170.3	-53	167.6	0	0	0	111.8	N315 L536 D554	N315-L556 HydrophobicContact CB-CD2 3.86Å; N315-L556 WeakPolarHBondContact ND2-CD2 3.44Å; L536-L556 HydrophobicContact CD1-CD1 4.43Å; D554-L556 PolarHBondContact O-N 3.42Å; D554-L556 WeakPolarHBondContact OD1-CA 3.4Å; D554-L556 WeakPolarHBondContact OD1-CB 3.41Å; D554-L556 PolarHBondContact OD1-N 3.32Å
557	K	86	Confident	88.4	Confident	58 Å²	58	56.4 Å²	56.4	25%	0.252	29%	0.291	S	S	.	.	S	Bend	trans	-81.4	151.4	174.3	-69.1	-176	-169.9	-174.4	0	111.3	E552 D554 E561	E552-K557 WeakPolarHBondContact OE1-CE 3.25Å; E552-K557 IonicContact OE1-NZ 3.25Å; E552-K557 PolarHBondContact OE1-NZ 3.24Å; E552-K557 IonicContact OE2-NZ 3.84Å; E552-K557 PolarHBondContact OE2-NZ 3.41Å; D554-K557 HydrophobicContact CB-CB 4.17Å; D554-K557 HydrophobicContact CB-CD 3.84Å; D554-K557 HydrophobicContact CB-CG 3.81Å; D554-K557 PolarHBondContact O-N 2.93Å; D554-K557 PolarHBondContact OD1-N 3.1Å; D554-K557 WeakPolarHBondContact OD2-CE 3.4Å; K557-E561 HydrophobicContact CD-CG 4.43Å; K557-E561 IonicContact NZ-OE1 2.64Å; K557-E561 IonicContact NZ-OE2 2.76Å; K557-E561 PolarHBondContact NZ-OE2 2.74Å
558	N	70.7	Confident	88.7	Confident	165 Å²	165	51 Å²	51	88%	0.882	26%	0.263	S	S	*	.	S	Bend	trans	-84.9	-8.4	179.9	-67.5	-61.2	0	0	0	113.7
559	A	76.9	Confident	88.9	Confident	52 Å²	52	53.3 Å²	53.3	43%	0.43	28%	0.276	S	S	.	.	S	Bend	trans	-159.1	154.5	179	0	0	0	0	0	109.9
560	C	80.4	Confident	89	Confident	16 Å²	16	54.6 Å²	54.6	11%	0.108	28%	0.283	C	S	.	.			trans	-70.1	133.3	172.6	-46.3	0	0	0	0	110.7	L312 L551 E552	L312-C560 VanDerWaalsContact CD2-SG 3.55Å; L312-C560 VanDerWaalsContact CG-SG 3.53Å; L551-C560 HydrophobicContact CD1-CB 3.56Å; L551-C560 HydrophobicContact CG-CB 4.1Å; E552-C560 WeakPolarHBondContact O-CA 3.39Å; E552-C560 WeakPolarHBondContact O-CB 3.45Å
561	E	86.7	Confident	89.1	Confident	89 Å²	89	59.3 Å²	59.3	42%	0.416	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	142.5	174.5	-71.6	173.5	-173.6	0	0	110.2	E552 K557 H563	E552-E561 PolarHBondContact N-O 3.18Å; K557-E561 HydrophobicContact CD-CG 4.43Å; K557-E561 IonicContact NZ-OE1 2.64Å; K557-E561 IonicContact NZ-OE2 2.76Å; K557-E561 PolarHBondContact NZ-OE2 2.74Å; E561-H563 WeakPolarHBondContact CB-NE2 3.21Å; E561-H563 IonicContact OE2-CE1 3.65Å; E561-H563 IonicContact OE2-NE2 3.98Å
562	T	90.7	Very high	89.3	Confident	52 Å²	52	59.7 Å²	59.7	32%	0.319	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	117	-179.9	-41.2	0	0	0	0	109.3	K309 S549 W550	K309-T562 PolarHBondContact NZ-OG1 3.28Å; S549-T562 WeakPolarHBondContact OG-CG2 3.27Å; W550-T562 CarbonylContact O-C 3.53Å; W550-T562 WeakPolarHBondContact O-CA 3.23Å
563	H	92.1	Very high	89.5	Confident	33 Å²	33	59.1 Å²	59.1	15%	0.153	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	136	-172.6	-60.5	-91.4	0	0	0	110.9	W542 S549 W550 E552 E561 H565 Q567	W542-H563 AromaticContact CH2-CD2 3.99Å; W542-H563 AromaticContact CH2-NE2 3.97Å; W542-H563 HydrophobicContact CZ3-CB 4.44Å; W542-H563 AromaticContact CZ3-CD2 3.51Å; W542-H563 AromaticContact CZ3-NE2 3.97Å; S549-H563 CarbonylContact C-O 3.53Å; S549-H563 WeakPolarHBondContact CA-O 3.23Å; S549-H563 WeakPolarHBondContact CB-O 3.42Å; W550-H563 PolarHBondContact N-O 3.49Å; W550-H563 PolarHBondContact O-N 3.14Å; E552-H563 IonicContact OE2-CD2 3.22Å; E552-H563 IonicContact OE2-CE1 3.92Å; E552-H563 IonicContact OE2-NE2 2.65Å; E552-H563 PolarHBondContact OE2-NE2 3.1Å; E561-H563 WeakPolarHBondContact CB-NE2 3.21Å; E561-H563 IonicContact OE2-CE1 3.65Å; E561-H563 IonicContact OE2-NE2 3.98Å; H563-H565 VanDerWaalsContact C-N 3.26Å; H563-H565 PolarHBondContact O-N 3.05Å; H563-Q567 PolarHBondContact ND1-NE2 3.42Å
564	Q	91.8	Very high	89.7	Confident	126 Å²	126	59.7 Å²	59.7	59%	0.589	31%	0.308	S	S	*	.	S	Bend	trans	-71.6	-22	177	-69.1	-62.6	-34	0	0	113.1
565	H	88	Confident	90	Very high	145 Å²	145	59.1 Å²	59.1	67%	0.671	31%	0.305	S	S	*	.	S	Bend	trans	-137.3	149.2	-178.5	-55.8	-33.2	0	0	0	110.4	H563 Q567	H563-H565 VanDerWaalsContact C-N 3.26Å; H563-H565 PolarHBondContact O-N 3.05Å; H565-Q567 PolarHBondContact O-N 3.35Å
566	L	91.2	Very high	90.5	Very high	20 Å²	20	58.6 Å²	58.6	11%	0.105	30%	0.302	C	S	.	.			trans	-75.3	114.4	179.1	-172.4	70.2	0	0	0	110.7	V512 I529 W542 W550 I568	V512-L566 HydrophobicContact CB-CD2 4.44Å; V512-L566 HydrophobicContact CG1-CD2 3.8Å; V512-L566 HydrophobicContact CG2-CD2 3.78Å; I529-L566 HydrophobicContact CD1-CD1 4.23Å; I529-L566 HydrophobicContact CD1-CD2 3.42Å; I529-L566 VanDerWaalsContact CD1-CD2 3.42Å; I529-L566 HydrophobicContact CD1-CG 4.46Å; W542-L566 HydrophobicContact CB-CD1 4.18Å; W542-L566 HydrophobicContact CD2-CD1 4.04Å; W542-L566 HydrophobicContact CE3-CD1 3.88Å; W542-L566 HydrophobicContact CG-CD1 4.21Å; W550-L566 HydrophobicContact CD2-CB 4.42Å; W550-L566 HydrophobicContact CD2-CD1 3.74Å; W550-L566 HydrophobicContact CE3-CD1 3.84Å; W550-L566 HydrophobicContact CG-CB 4.43Å; W550-L566 HydrophobicContact CG-CD1 4.13Å; W550-L566 HydrophobicContact CZ2-CD2 4.46Å; W550-L566 HydrophobicContact CZ3-CD1 4.28Å; L566-I568 HydrophobicContact CD1-CD1 3.56Å; L566-I568 HydrophobicContact CD1-CG1 3.83Å; L566-I568 HydrophobicContact CD2-CD1 4.21Å; L566-I568 HydrophobicContact CG-CB 4.48Å; L566-I568 HydrophobicContact CG-CD1 3.97Å; L566-I568 HydrophobicContact CG-CG1 3.96Å
567	Q	87.6	Confident	91	Very high	136 Å²	136	54.2 Å²	54.2	64%	0.636	28%	0.279	S	S	*	.			trans	-102.2	36.1	-173.7	-66.4	-174.1	79.7	0	0	113.6	H563 H565	H563-Q567 PolarHBondContact ND1-NE2 3.42Å; H565-Q567 PolarHBondContact O-N 3.35Å
568	I	93.6	Very high	91.6	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.01	27%	0.267	C	S	.	.			trans	-92	132.5	-180	-50.8	174.4	0	0	0	110.5	N510 I529 Q531 W542 L566 E572 I573	N510-I568 WeakPolarHBondContact CB-O 3.21Å; I529-I568 HydrophobicContact CB-CD1 4.4Å; I529-I568 HydrophobicContact CD1-CD1 4.42Å; I529-I568 HydrophobicContact CG2-CD1 3.77Å; Q531-I568 HydrophobicContact CB-CD1 4.29Å; Q531-I568 HydrophobicContact CB-CG2 4.27Å; Q531-I568 HydrophobicContact CG-CG2 3.76Å; W542-I568 HydrophobicContact CB-CD1 4.41Å; W542-I568 HydrophobicContact CD2-CD1 4.07Å; W542-I568 HydrophobicContact CD2-CG1 4.2Å; W542-I568 HydrophobicContact CG-CD1 3.77Å; W542-I568 HydrophobicContact CG-CG1 4.41Å; W542-I568 HydrophobicContact CZ2-CG1 4.23Å; L566-I568 HydrophobicContact CD1-CD1 3.56Å; L566-I568 HydrophobicContact CD1-CG1 3.83Å; L566-I568 HydrophobicContact CD2-CD1 4.21Å; L566-I568 HydrophobicContact CG-CB 4.48Å; L566-I568 HydrophobicContact CG-CD1 3.97Å; L566-I568 HydrophobicContact CG-CG1 3.96Å; I568-E572 HydrophobicContact CG2-CB 4.11Å; I568-I573 HydrophobicContact CB-CG1 4.09Å; I568-I573 HydrophobicContact CG2-CG1 3.62Å
569	P	95.3	Very high	92.9	Very high	59 Å²	59	44 Å²	44	38%	0.383	23%	0.227	S	C	.	.			trans	-62.3	138.4	166.8	-18.5	31.1	0	0	0	110.7	Q571 E572	P569-Q571 PolarHBondContact O-N 2.97Å; P569-E572 HydrophobicContact CB-CB 4.49Å; P569-E572 HydrophobicContact CB-CG 4.22Å; P569-E572 HydrophobicContact CG-CG 4.27Å; P569-E572 PolarHBondContact O-N 2.88Å
570	T	95.2	Very high	93.8	Very high	26 Å²	26	44.3 Å²	44.3	16%	0.16	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-59.9	-30.4	-168.9	91.8	0	0	0	0	113.1	G506 L507 N510 E572	G506-T570 CarbonylContact C-O 3.57Å; G506-T570 VanDerWaalsContact CA-O 3.29Å; G506-T570 WeakPolarHBondContact CA-O 3.44Å; L507-T570 PolarHBondContact N-O 2.94Å; L507-T570 WeakPolarHBondContact O-CB 3.17Å; L507-T570 PolarHBondContact O-OG1 3.44Å; N510-T570 HydrophobicContact CB-CG2 4.09Å; T570-E572 VanDerWaalsContact C-N 3.32Å; T570-E572 PolarHBondContact O-N 2.91Å
571	Q	96	Very high	94.3	Very high	110 Å²	110	46.7 Å²	46.7	51%	0.514	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-77.1	-9	177.6	-57.8	74.7	23.7	0	0	114.7	E505 Q534 P569	E505-Q571 WeakPolarHBondContact O-CA 3.38Å; Q534-Q571 PolarHBondContact NE2-O 2.81Å; P569-Q571 PolarHBondContact O-N 2.97Å
572	E	97.1	Very high	94.1	Very high	19 Å²	19	48 Å²	48	9%	0.089	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-102.7	-4.5	176.4	-62	-162	150.5	0	0	112.4	Q531 Y532 S533 Q534 I568 P569 T570 H574	Q531-E572 CarbonylContact C-O 3.58Å; Q531-E572 WeakPolarHBondContact CA-O 3.27Å; Q531-E572 HydrophobicContact CG-CB 3.85Å; Q531-E572 PolarHBondContact NE2-OE2 3.25Å; Y532-E572 PolarHBondContact N-O 2.88Å; Y532-E572 WeakPolarHBondContact O-CB 3.44Å; Y532-E572 WeakPolarHBondContact O-CG 3.44Å; S533-E572 WeakPolarHBondContact CA-OE1 3.48Å; Q534-E572 HydrophobicContact CG-CG 4.35Å; Q534-E572 PolarHBondContact N-OE1 3.41Å; I568-E572 HydrophobicContact CG2-CB 4.11Å; P569-E572 HydrophobicContact CB-CB 4.49Å; P569-E572 HydrophobicContact CB-CG 4.22Å; P569-E572 HydrophobicContact CG-CG 4.27Å; P569-E572 PolarHBondContact O-N 2.88Å; T570-E572 VanDerWaalsContact C-N 3.32Å; T570-E572 PolarHBondContact O-N 2.91Å; E572-H574 PolarHBondContact O-N 2.84Å
573	I	97.6	Very high	92.8	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	93.4	174	-59	174.6	0	0	0	108.8	G506 L507 N510 V512 I529 I568 V576	G506-I573 WeakPolarHBondContact CA-O 3.35Å; L507-I573 HydrophobicContact CD1-CG2 3.9Å; L507-I573 HydrophobicContact CG-CG2 4.32Å; N510-I573 HydrophobicContact CB-CD1 4.24Å; V512-I573 HydrophobicContact CG1-CD1 4.45Å; I529-I573 HydrophobicContact CG2-CG2 3.92Å; I568-I573 HydrophobicContact CB-CG1 4.09Å; I568-I573 HydrophobicContact CG2-CG1 3.62Å; I573-V576 HydrophobicContact CG2-CG2 3.38Å
574	H	98.1	Very high	90.8	Very high	25 Å²	25	58 Å²	58	12%	0.116	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	-42.4	-165	-175.9	57.4	0	0	0	113.6	H502 F503 I530 F539 E572	H502-H574 CarbonylContact C-O 3.56Å; H502-H574 WeakPolarHBondContact CA-O 3.47Å; H502-H574 AromaticContact CD2-CE1 3.34Å; H502-H574 PolarHBondContact CD2-CE1 3.19Å; H502-H574 AromaticContact CD2-ND1 3.53Å; H502-H574 AromaticContact CD2-NE2 3.87Å; H502-H574 PolarHBondContact CD2-O 2.99Å; H502-H574 AromaticContact NE2-CE1 3.05Å; H502-H574 PolarHBondContact NE2-CE1 3.21Å; H502-H574 AromaticContact NE2-ND1 3.55Å; H502-H574 AromaticContact NE2-NE2 3.85Å; F503-H574 PolarHBondContact N-O 2.69Å; F503-H574 PolarHBondContact O-ND1 2.86Å; I530-H574 WeakPolarHBondContact O-CB 3.34Å; I530-H574 PolarHBondContact O-N 3.21Å; F539-H574 AromaticContact CE1-CD2 3.59Å; F539-H574 AromaticContact CE1-NE2 3.8Å; E572-H574 PolarHBondContact O-N 2.84Å
575	V	98.7	Very high	88.2	Confident	2 Å²	2	59.6 Å²	59.6	1%	0.012	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	136.5	172.1	-171.2	0	0	0	0	108.9	V415 L457 L501 H502 I529 I530 F577	V415-V575 HydrophobicContact CG2-CG2 4.09Å; L457-V575 HydrophobicContact CD1-CG1 3.87Å; L501-V575 WeakPolarHBondContact O-CA 3.21Å; L501-V575 WeakPolarHBondContact O-CG1 3.28Å; H502-V575 HydrophobicContact CB-CG2 4.34Å; I529-V575 CarbonylContact C-O 3.6Å; I529-V575 VanDerWaalsContact CA-O 3.31Å; I529-V575 WeakPolarHBondContact CA-O 3.47Å; I530-V575 HydrophobicContact CB-CB 4.13Å; I530-V575 HydrophobicContact CB-CG2 4.48Å; I530-V575 HydrophobicContact CD1-CB 4.43Å; I530-V575 HydrophobicContact CG1-CB 4.5Å; I530-V575 PolarHBondContact N-O 3.45Å; I530-V575 PolarHBondContact O-N 2.65Å; V575-F577 HydrophobicContact CB-CE2 4.09Å; V575-F577 HydrophobicContact CG1-CD2 4.21Å; V575-F577 HydrophobicContact CG1-CE2 3.48Å; V575-F577 VanDerWaalsContact CG1-CE2 3.48Å; V575-F577 HydrophobicContact CG1-CZ 3.67Å
576	V	98.7	Very high	85.9	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	137.5	178.3	-175.5	0	0	0	0	109.6	A500 L501 F503 L507 V526 I529 I573 W578	A500-V576 WeakPolarHBondContact CA-O 3.23Å; L501-V576 PolarHBondContact N-O 3.13Å; L501-V576 PolarHBondContact O-N 3.31Å; F503-V576 HydrophobicContact CD2-CG2 4.32Å; F503-V576 HydrophobicContact CE2-CB 4.28Å; F503-V576 HydrophobicContact CE2-CG2 4.14Å; L507-V576 HydrophobicContact CD1-CG2 3.92Å; V526-V576 HydrophobicContact CB-CG1 4.4Å; V526-V576 HydrophobicContact CG1-CG1 3.59Å; V526-V576 HydrophobicContact CG2-CG1 3.87Å; I529-V576 HydrophobicContact CG1-CG1 4.37Å; I529-V576 HydrophobicContact CG1-CG2 4.36Å; I573-V576 HydrophobicContact CG2-CG2 3.38Å; V576-W578 HydrophobicContact CB-CE3 4.36Å; V576-W578 HydrophobicContact CB-CH2 3.72Å; V576-W578 HydrophobicContact CB-CZ3 3.63Å; V576-W578 HydrophobicContact CG1-CD2 4.24Å; V576-W578 HydrophobicContact CG1-CE3 3.94Å; V576-W578 HydrophobicContact CG1-CH2 3.56Å; V576-W578 HydrophobicContact CG1-CZ2 3.89Å; V576-W578 HydrophobicContact CG1-CZ3 3.59Å; V576-W578 WeakPolarHBondContact O-CZ3 3.44Å
577	F	98.6	Very high	83.1	Confident	4 Å²	4	61.3 Å²	61.3	2%	0.018	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	125.2	179.7	-59.2	-100.9	0	0	0	109.2	V328 M418 F432 V498 F499 A500 V526 T527 A528 I530 V575	V328-F577 HydrophobicContact CG1-CD1 4.04Å; V328-F577 HydrophobicContact CG1-CD2 4.06Å; V328-F577 HydrophobicContact CG1-CE1 3.93Å; V328-F577 HydrophobicContact CG1-CE2 3.96Å; V328-F577 HydrophobicContact CG1-CG 4.12Å; V328-F577 HydrophobicContact CG1-CZ 3.89Å; V328-F577 HydrophobicContact CG2-CE2 4.1Å; M418-F577 HydrophobicContact CE-CE1 3.93Å; F432-F577 HydrophobicContact CE1-CD1 4.17Å; F432-F577 HydrophobicContact CE1-CE1 4.14Å; V498-F577 HydrophobicContact CG1-CD1 4.3Å; F499-F577 WeakPolarHBondContact O-CA 3.49Å; A500-F577 HydrophobicContact CB-CD1 3.6Å; A500-F577 HydrophobicContact CB-CE1 3.74Å; A500-F577 HydrophobicContact CB-CG 4.37Å; V526-F577 WeakPolarHBondContact CA-O 3.27Å; T527-F577 PolarHBondContact N-O 3.2Å; A528-F577 HydrophobicContact CB-CB 4.01Å; A528-F577 HydrophobicContact CB-CD2 3.99Å; A528-F577 HydrophobicContact CB-CG 4.24Å; A528-F577 PolarHBondContact N-O 2.63Å; A528-F577 PolarHBondContact O-N 3.44Å; I530-F577 HydrophobicContact CD1-CE2 4.02Å; I530-F577 HydrophobicContact CD1-CZ 4.28Å; I530-F577 HydrophobicContact CG1-CE2 4.08Å; V575-F577 HydrophobicContact CB-CE2 4.09Å; V575-F577 HydrophobicContact CG1-CD2 4.21Å; V575-F577 HydrophobicContact CG1-CE2 3.48Å; V575-F577 VanDerWaalsContact CG1-CE2 3.48Å; V575-F577 HydrophobicContact CG1-CZ 3.67Å
578	W	98.4	Very high	80.7	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	135.8	167.7	-62.1	-111.6	0	0	0	108.4	W467 P469 V498 F499 L501 F503 Y515 F517 S525 V526 V576	W467-W578 HydrophobicContact CH2-CH2 4.2Å; W467-W578 HydrophobicContact CH2-CZ2 4.39Å; P469-W578 HydrophobicContact CG-CZ2 3.87Å; V498-W578 CarbonylContact C-O 3.59Å; V498-W578 WeakPolarHBondContact CA-O 3.26Å; F499-W578 HydrophobicContact CB-CB 4.38Å; F499-W578 HydrophobicContact CD1-CD2 4.23Å; F499-W578 AromaticContact CD1-CE3 3.88Å; F499-W578 HydrophobicContact CD1-CE3 3.88Å; F499-W578 HydrophobicContact CD1-CZ3 4.42Å; F499-W578 HydrophobicContact CE1-CE3 4.43Å; F499-W578 PolarHBondContact N-O 2.89Å; F499-W578 PolarHBondContact O-N 3.27Å; L501-W578 HydrophobicContact CB-CH2 4.42Å; L501-W578 HydrophobicContact CB-CZ3 3.96Å; L501-W578 HydrophobicContact CD1-CH2 4.03Å; L501-W578 HydrophobicContact CD1-CZ3 4Å; L501-W578 HydrophobicContact CG-CZ3 4.03Å; F503-W578 HydrophobicContact CE2-CH2 4.28Å; F503-W578 HydrophobicContact CZ-CH2 4.32Å; Y515-W578 PolarHBondContact O-NE1 2.87Å; F517-W578 AromaticContact CD1-CD1 3.88Å; F517-W578 AromaticContact CD1-NE1 3.94Å; F517-W578 HydrophobicContact CE1-CB 4.43Å; F517-W578 AromaticContact CE1-CD1 3.64Å; F517-W578 HydrophobicContact CE1-CD2 4.4Å; F517-W578 AromaticContact CE1-CG 3.96Å; F517-W578 HydrophobicContact CE1-CG 3.96Å; F517-W578 AromaticContact CE1-NE1 3.9Å; S525-W578 VanDerWaalsContact O-CA 3.26Å; S525-W578 WeakPolarHBondContact O-CA 3.39Å; V526-W578 HydrophobicContact CG2-CD2 4.14Å; V526-W578 HydrophobicContact CG2-CG 4.12Å; V526-W578 HydrophobicContact CG2-CZ2 4.26Å; V576-W578 HydrophobicContact CB-CE3 4.36Å; V576-W578 HydrophobicContact CB-CH2 3.72Å; V576-W578 HydrophobicContact CB-CZ3 3.63Å; V576-W578 HydrophobicContact CG1-CD2 4.24Å; V576-W578 HydrophobicContact CG1-CE3 3.94Å; V576-W578 HydrophobicContact CG1-CH2 3.56Å; V576-W578 HydrophobicContact CG1-CZ2 3.89Å; V576-W578 HydrophobicContact CG1-CZ3 3.59Å; V576-W578 WeakPolarHBondContact O-CZ3 3.44Å
579	E	97.7	Very high	78	Confident	9 Å²	9	69.1 Å²	69.1	4%	0.042	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	150.9	168.8	-70.5	178.5	-83.6	0	0	110	C332 K333 S334 P497 V498 Y524 S525 T527 E581	C332-E579 PolarHBondContact SG-OE2 3.42Å; K333-E579 WeakPolarHBondContact CA-OE2 3.17Å; K333-E579 PolarHBondContact N-OE2 2.8Å; S334-E579 PolarHBondContact N-OE2 2.84Å; S334-E579 PolarHBondContact OG-OE2 3.41Å; P497-E579 WeakPolarHBondContact O-CA 3.23Å; V498-E579 HydrophobicContact CG1-CG 4.09Å; V498-E579 HydrophobicContact CG2-CG 4.29Å; Y524-E579 WeakPolarHBondContact CA-O 3.39Å; S525-E579 PolarHBondContact N-O 3.12Å; S525-E579 PolarHBondContact O-N 2.91Å; T527-E579 VanDerWaalsContact CB-OE1 3.24Å; T527-E579 WeakPolarHBondContact CB-OE1 3.49Å; T527-E579 HydrophobicContact CG2-CB 3.86Å; T527-E579 HydrophobicContact CG2-CG 4.21Å; T527-E579 WeakPolarHBondContact CG2-OE1 3.36Å; T527-E579 WeakPolarHBondContact OG1-CG 3.13Å; T527-E579 PolarHBondContact OG1-OE1 3.43Å; E579-E581 PolarHBondContact O-N 2.91Å
580	E	95.8	Very high	75.3	Confident	58 Å²	58	71.6 Å²	71.6	27%	0.271	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	122.5	170.3	-170.9	-178.9	147.9	0	0	109.5	P497 K522 Y524	P497-E580 PolarHBondContact O-N 3.11Å; K522-E580 HydrophobicContact CB-CG 4.24Å; K522-E580 HydrophobicContact CD-CG 4.45Å; K522-E580 HydrophobicContact CG-CG 4.33Å; K522-E580 IonicContact NZ-OE1 3.25Å; K522-E580 PolarHBondContact NZ-OE1 2.94Å; K522-E580 IonicContact NZ-OE2 3.91Å; K522-E580 PolarHBondContact NZ-OE2 3.41Å; Y524-E580 HydrophobicContact CD1-CB 4.21Å; Y524-E580 HydrophobicContact CE1-CB 3.72Å; Y524-E580 HydrophobicContact CE1-CG 4.28Å
581	E	92.1	Very high	72.5	Confident	66 Å²	66	78.4 Å²	78.4	31%	0.308	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-65.7	133.6	170.4	-72.5	177.7	-167.7	0	0	109.6	R523 S525 E579 E583	R523-E581 HydrophobicContact CB-CB 4.31Å; R523-E581 HydrophobicContact CB-CG 4.37Å; R523-E581 WeakPolarHBondContact CB-OE2 3.41Å; R523-E581 WeakPolarHBondContact CD-OE1 3.39Å; R523-E581 WeakPolarHBondContact CD-OE2 3.23Å; R523-E581 HydrophobicContact CG-CG 4.49Å; R523-E581 WeakPolarHBondContact CG-OE2 3.49Å; R523-E581 IonicContact CZ-OE2 2.61Å; R523-E581 IonicContact NE-OE2 2.77Å; R523-E581 IonicContact NH1-OE2 2.71Å; R523-E581 PolarHBondContact NH1-OE2 3.19Å; R523-E581 PolarHBondContact O-N 3.34Å; S525-E581 VanDerWaalsContact CB-OE1 3.29Å; S525-E581 WeakPolarHBondContact CB-OE1 3.4Å; S525-E581 PolarHBondContact OG-OE1 3.07Å; E579-E581 PolarHBondContact O-N 2.91Å; E581-E583 PolarHBondContact O-N 3.33Å
582	E	81.5	Confident	69.7	Low	116 Å²	116	78.2 Å²	78.2	54%	0.542	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-68.9	130	173	-50.1	-151.7	168.9	0	0	109.8	K337 T584	K337-E582 WeakPolarHBondContact CD-OE1 3.5Å; K337-E582 WeakPolarHBondContact CE-OE1 3.1Å; K337-E582 IonicContact NZ-OE1 2.73Å; K337-E582 PolarHBondContact NZ-OE1 3.48Å; K337-E582 IonicContact NZ-OE2 2.92Å; K337-E582 PolarHBondContact NZ-OE2 3.36Å; E582-T584 PolarHBondContact O-N 3.32Å
583	E	63.6	Low	66.8	Low	174 Å²	174	83.1 Å²	83.1	81%	0.813	47%	0.468	S	S	*	.			trans	-66.5	82.4	158.4	-72.1	-169.8	165.2	0	0	108.7	E581 Q585	E581-E583 PolarHBondContact O-N 3.33Å; E583-Q585 VanDerWaalsContact C-N 3.29Å; E583-Q585 PolarHBondContact O-N 3.01Å
584	T	50.6	Low	63.7	Low	122 Å²	122	90.2 Å²	90.2	75%	0.748	51%	0.51	S	S	*	.			trans	-56.2	103.5	150.3	50.7	0	0	0	0	106	E582	E582-T584 PolarHBondContact O-N 3.32Å
585	Q	37.2	Very low	60.6	Low	158 Å²	158	96.6 Å²	96.6	74%	0.738	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-50	131.8	169.7	-76.7	-165.5	-11.7	0	0	107.6	E583 S587	E583-Q585 VanDerWaalsContact C-N 3.29Å; E583-Q585 PolarHBondContact O-N 3.01Å; Q585-S587 PolarHBondContact O-N 3.21Å
586	P	39.1	Very low	57.5	Low	105 Å²	105	103.4 Å²	103.4	68%	0.682	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-57.4	118.4	174	25.1	-32.8	0	0	0	106.8	F588	P586-F588 PolarHBondContact O-N 3Å; P586-F588 VanDerWaalsContact O-N 3.16Å
587	S	32.8	Very low	54.1	Low	97 Å²	97	112.1 Å²	112.1	68%	0.678	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-57.6	126.1	179.7	50.6	0	0	0	0	108.1	Q585 C589	Q585-S587 PolarHBondContact O-N 3.21Å; S587-C589 PolarHBondContact O-N 3.44Å
588	F	36.1	Very low	51	Low	187 Å²	187	117.3 Å²	117.3	82%	0.82	66%	0.655	S	S	*	*	S	Bend	trans	-73.3	51.1	179	-82.8	-85.5	0	0	0	111.6	P586	P586-F588 PolarHBondContact O-N 3Å; P586-F588 VanDerWaalsContact O-N 3.16Å
589	C	38.2	Very low	47.7	Very low	114 Å²	114	125.3 Å²	125.3	77%	0.77	70%	0.697	S	S	*	*	S	Bend	trans	-151.5	41.7	-179.2	-87.9	0	0	0	0	111.3	S587	S587-C589 PolarHBondContact O-N 3.44Å
590	S	37.9	Very low	44.6	Very low	111 Å²	111	130.4 Å²	130.4	78%	0.776	73%	0.731	S	S	*	*			trans	-170.5	53.6	160.7	-111.1	0	0	0	0	114.6	S592	S590-S592 PolarHBondContact O-N 3.05Å
591	L	37.4	Very low	41.5	Very low	170 Å²	170	132.4 Å²	132.4	89%	0.89	76%	0.757	S	S	*	*			trans	-92.6	79.6	162.4	-93	173.7	0	0	0	110.6
592	S	37	Very low	38.7	Very low	106 Å²	106	138.7 Å²	138.7	74%	0.741	79%	0.787	S	S	*	*			trans	-161.6	129.9	164.2	-79.1	0	0	0	0	108.6	S590	S590-S592 PolarHBondContact O-N 3.05Å
593	S	36.7	Very low	36.5	Very low	122 Å²	122	141.1 Å²	141.1	85%	0.853	80%	0.801	S	S	*	*	S	Bend	trans	62.7	110	-170.2	-51.6	0	0	0	0	113.1
594	V	31.1	Very low	34.9	Very low	148 Å²	148	142.1 Å²	142.1	90%	0.897	81%	0.806	S	S	*	*			cis	-139.4	131.8	33.9	177.9	0	0	0	0	111.6
595	L	33.6	Very low	33.9	Very low	159 Å²	159	141 Å²	141	83%	0.832	81%	0.809	S	S	*	*			trans	-167.3	123.6	174.1	-162.9	157.1	0	0	0	106.2
596	L	32.7	Very low	33.6	Very low	145 Å²	145	140 Å²	140	76%	0.759	81%	0.814	S	S	*	*			cis	-146.5	155.6	-4.2	-113.8	166.7	0	0	0	108.2
597	E	27	Very low	33.4	Very low	183 Å²	183	140.2 Å²	140.2	86%	0.855	82%	0.815	S	S	*	*			trans	-113	115.7	163.7	-169.9	165.6	-144.7	0	0	108.7
598	P	35.1	Very low	33.2	Very low	113 Å²	113	140.3 Å²	140.3	73%	0.734	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-80.4	143.2	-174.5	-14.4	30.4	0	0	0	113.7
599	L	27.8	Very low	32.8	Very low	168 Å²	168	137.6 Å²	137.6	88%	0.88	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-75.3	133.3	169.5	-164.2	73.7	0	0	0	110
600	P	33.3	Very low	32.2	Very low	117 Å²	117	140.1 Å²	140.1	76%	0.76	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-77.6	152.7	-176.5	31.1	-35.7	0	0	0	113.2
601	A	29.7	Very low	31.8	Very low	100 Å²	100	140.6 Å²	140.6	83%	0.826	80%	0.801	S	S	*	*			trans	-126.6	143.3	163	0	0	0	0	0	108.7
602	E	33.8	Very low	31.4	Very low	198 Å²	198	139.6 Å²	139.6	93%	0.925	80%	0.796	S	S	*	*			trans	-78.9	129.9	-170.4	-61.3	168.3	124.5	0	0	112.7
603	I	35	Very low	30.8	Very low	166 Å²	166	138.8 Å²	138.8	85%	0.851	79%	0.79	S	S	*	*			trans	-141.7	127.3	151.5	-59.2	-176	0	0	0	107.5
604	E	31.1	Very low	30.2	Very low	195 Å²	195	139 Å²	139	91%	0.911	79%	0.786	S	S	*	*			trans	-77.6	131.3	173.6	-62.7	-176.1	114.4	0	0	111.9
605	A	28.6	Very low	29.9	Very low	98 Å²	98	139.5 Å²	139.5	81%	0.81	78%	0.779	S	S	*	*			trans	-161.4	118.1	152.8	0	0	0	0	0	111.2
606	V	31	Very low	29.6	Very low	138 Å²	138	140.2 Å²	140.2	84%	0.836	78%	0.778	S	S	*	*			trans	-138.8	127.9	173.8	173.9	0	0	0	0	104
607	P	36.5	Very low	29.2	Very low	109 Å²	109	139.5 Å²	139.5	71%	0.708	78%	0.779	S	S	*	*				-156.8	170.9	76.1	43.5	-24.1	0	0	0	118.8
608	S	26.8	Very low	29	Very low	100 Å²	100	135.4 Å²	135.4	70%	0.699	77%	0.771	S	S	*	*			trans	70.7	150.8	146.5	-68.9	0	0	0	0	118.5
609	L	28.1	Very low	28.5	Very low	130 Å²	130	134.9 Å²	134.9	68%	0.681	77%	0.766	S	S	*	*			cis	-158.7	173.1	-12.5	-113	165.7	0	0	0	107.9
610	K	26.7	Very low	28.5	Very low	167 Å²	167	134.1 Å²	134.1	73%	0.726	76%	0.758	S	S	*	*			trans	16.1	139.6	144.8	-76.5	173.8	-165.8	172.8	0	119.4
611	D	28.1	Very low	28.1	Very low	120 Å²	120	136.8 Å²	136.8	64%	0.642	76%	0.76	S	S	*	*			cis	-158.6	159.9	46.7	-111.1	-26.7	0	0	0	111.7
612	L	28.9	Very low	28	Very low	149 Å²	149	135.2 Å²	135.2	78%	0.78	75%	0.747	S	S	*	*				40.7	137.5	100.2	-59.4	176.8	0	0	0	115.9
613	S	25.5	Very low	27.7	Very low	90 Å²	90	134.7 Å²	134.7	63%	0.629	74%	0.744	S	S	*	*			cis	-178.8	156	-5.6	53.2	0	0	0	0	112.7
614	T	24.6	Very low	27.3	Very low	125 Å²	125	133.6 Å²	133.6	77%	0.767	74%	0.741	S	S	*	*				66.3	111.2	129.6	-67.1	0	0	0	0	121.6
615	E	25	Very low	27.7	Very low	160 Å²	160	129.4 Å²	129.4	75%	0.748	73%	0.73	S	S	*	*			trans	85.8	161	134	-67.8	-70.2	175.9	0	0	124
616	E	26.2	Very low	27.6	Very low	174 Å²	174	128.9 Å²	128.9	81%	0.813	72%	0.72	S	S	*	*			trans	64.5	119.3	168.4	-47.3	-151.3	144.8	0	0	116.1
617	V	24.4	Very low	27.3	Very low	129 Å²	129	127.2 Å²	127.2	78%	0.782	72%	0.715	S	S	*	*			cis	61.4	96.2	30.9	-169.6	0	0	0	0	114
618	S	23.8	Very low	27.5	Very low	97 Å²	97	127.1 Å²	127.1	68%	0.678	72%	0.715	S	S	*	*				-169.5	136.1	123.9	-159.5	0	0	0	0	115.4
619	T	23.1	Very low	27.4	Very low	102 Å²	102	129.3 Å²	129.3	63%	0.626	72%	0.715	S	S	*	*			trans	59.3	135	140.7	46.5	0	0	0	0	125.7
620	Q	27.5	Very low	27.3	Very low	153 Å²	153	132.2 Å²	132.2	72%	0.715	72%	0.717	S	S	*	*			trans	82.7	116.1	132	-73.6	166.3	-0	0	0	118.6
621	Q	26.9	Very low	27.4	Very low	173 Å²	173	129.1 Å²	129.1	81%	0.808	71%	0.712	S	S	*	*				84.1	145.3	91.1	-80.6	-171.9	-111	0	0	113.4
622	A	26.8	Very low	27.3	Very low	67 Å²	67	130.3 Å²	130.3	55%	0.554	71%	0.714	S	S	*	*			cis	-166.1	-177.2	-10.6	0	0	0	0	0	110.2
623	E	26.8	Very low	27.4	Very low	186 Å²	186	128.6 Å²	128.6	87%	0.869	71%	0.706	S	S	*	*			trans	71.2	139.8	161.4	-52.1	-61.8	81.3	0	0	120.6
624	D	26.3	Very low	27.7	Very low	144 Å²	144	130.5 Å²	130.5	77%	0.77	71%	0.713	S	S	*	*			trans	-75.4	173.4	158.9	-148.1	2.3	0	0	0	108.5
625	P	40	Very low	28	Very low	107 Å²	107	130.2 Å²	130.2	70%	0.695	71%	0.711	S	S	*	*				-151.3	153.1	56.8	41.5	-20	0	0	0	118.7
626	S	26.2	Very low	28	Very low	86 Å²	86	127.9 Å²	127.9	60%	0.601	71%	0.712	S	S	*	*			trans	36.7	125	137.8	74.5	0	0	0	0	122.6
627	S	26.3	Very low	28.2	Very low	103 Å²	103	124.7 Å²	124.7	72%	0.72	71%	0.71	S	S	*	*				33.3	150.3	127	76.5	0	0	0	0	121.8
628	P	39.2	Very low	28.5	Very low	108 Å²	108	126.3 Å²	126.3	70%	0.701	71%	0.713	S	S	*	*			cis	-157.9	179.8	39.1	44.7	-22.8	0	0	0	119.5
629	M	24.3	Very low	29.7	Very low	146 Å²	146	126.6 Å²	126.6	72%	0.719	71%	0.713	S	S	*	*			trans	52.3	144.3	138.6	-77.7	178	76.9	0	0	125
630	R	27.8	Very low	29.8	Very low	191 Å²	191	128.7 Å²	128.7	72%	0.721	72%	0.72	S	S	*	*			trans	83.3	121.9	142.4	-87.3	-161.7	146.7	128.4	0.9	119.2
631	T	26.8	Very low	30.1	Very low	101 Å²	101	126.3 Å²	126.3	62%	0.62	72%	0.72	S	S	*	*				66.6	150.4	79.4	72.6	0	0	0	0	113.3
632	E	27.3	Very low	30.4	Very low	145 Å²	145	122.6 Å²	122.6	68%	0.678	71%	0.713	S	S	*	*			cis	-168.4	173.3	5.5	-124.5	172.8	-86.7	0	0	107.6
633	N	30.3	Very low	30.8	Very low	113 Å²	113	125.3 Å²	125.3	60%	0.604	72%	0.722	S	S	*	*			cis	-157.5	-150	-5.2	-158.2	-42.9	0	0	0	106.3
634	V	31.9	Very low	32	Very low	131 Å²	131	122.4 Å²	122.4	79%	0.794	72%	0.72	S	S	*	*			trans	84.7	134.4	154.8	-166	0	0	0	0	117.8
635	V	30.2	Very low	32.4	Very low	119 Å²	119	119.6 Å²	119.6	72%	0.721	72%	0.716	S	S	*	*				-176.9	132.7	-50.5	141	0	0	0	0	109.4
636	S	26.6	Very low	32	Very low	110 Å²	110	119.7 Å²	119.7	77%	0.769	73%	0.727	S	S	*	*			trans	-177	156	162.3	-91	0	0	0	0	110.3
637	S	28.9	Very low	32	Very low	108 Å²	108	119.5 Å²	119.5	76%	0.755	74%	0.738	S	S	*	*			cis	-160.6	176.6	-16.9	-100.6	0	0	0	0	110
638	L	30.7	Very low	32	Very low	162 Å²	162	118.2 Å²	118.2	85%	0.848	74%	0.741	S	S	*	*			trans	-117.4	174.7	177.6	-89.2	165.5	0	0	0	109.6
639	P	49.2	Very low	31.6	Very low	104 Å²	104	120.5 Å²	120.5	68%	0.675	75%	0.747	S	S	*	*			cis	-147.4	177.3	27.7	44.5	-24.3	0	0	0	119.9
640	D	26.6	Very low	31.8	Very low	146 Å²	146	121.5 Å²	121.5	78%	0.781	76%	0.755	S	S	*	*			trans	53.4	135.6	145.7	-66.5	-31.6	0	0	0	122.5
641	S	32.5	Very low	31.7	Very low	103 Å²	103	117 Å²	117	72%	0.72	75%	0.752	S	S	*	*			cis	93.2	139.5	48.7	-157.8	0	0	0	0	111.8
642	S	33.7	Very low	31.8	Very low	95 Å²	95	119.8 Å²	119.8	66%	0.664	76%	0.757	S	S	*	*			cis	-152.7	159.3	19.4	-116.1	0	0	0	0	111.6
643	V	36	Very low	31.6	Very low	123 Å²	123	119.1 Å²	119.1	75%	0.745	76%	0.758	S	S	*	*				61	127.6	80.1	-174.2	0	0	0	0	113	A645	V643-A645 HydrophobicContact CG1-CB 4.48Å
644	P	50.6	Low	31.5	Very low	126 Å²	126	119.8 Å²	119.8	82%	0.818	77%	0.767	S	S	*	*				-144.4	-177.4	53.9	38.4	-17.2	0	0	0	118.2
645	A	34.5	Very low	31.3	Very low	84 Å²	84	120.4 Å²	120.4	69%	0.694	77%	0.766	S	S	*	*			cis	-175.5	167.4	-36.9	0	0	0	0	0	112.5	V643	V643-A645 HydrophobicContact CG1-CB 4.48Å
646	A	32.1	Very low	31.2	Very low	110 Å²	110	118.3 Å²	118.3	91%	0.909	76%	0.76	S	S	*	*			trans	73.9	145	162.9	0	0	0	0	0	119.1
647	G	26.9	Very low	31.4	Very low	82 Å²	82	121.4 Å²	121.4	85%	0.845	76%	0.763	S	S	*	*			cis	173	161.8	-6	0	0	0	0	0	110.5
648	G	26.7	Very low	31.5	Very low	75 Å²	75	121 Å²	121	77%	0.773	76%	0.76	S	S	*	*			cis	-168.7	-170.3	1.9	0	0	0	0	0	112.2
649	N	29.6	Very low	31.8	Very low	157 Å²	157	118 Å²	118	84%	0.84	76%	0.758	S	S	*	*			trans	-95.2	155.4	-167.2	-54.9	-27.8	0	0	0	115.1
650	L	29.5	Very low	31.8	Very low	167 Å²	167	118.4 Å²	118.4	87%	0.874	76%	0.761	S	S	*	*			trans	168	155.7	148	-110.6	48.4	0	0	0	109
651	C	26	Very low	32.2	Very low	97 Å²	97	116.3 Å²	116.3	66%	0.655	76%	0.758	S	S	*	*			cis	-166.6	166.8	-29.9	-114.5	0	0	0	0	111.9
652	H	27.8	Very low	32.2	Very low	158 Å²	158	116.7 Å²	116.7	73%	0.731	76%	0.761	S	S	*	*			trans	11.2	125.5	158.6	-66.6	-68.5	0	0	0	123.8
653	N	24.1	Very low	32.1	Very low	132 Å²	132	117.6 Å²	117.6	71%	0.706	77%	0.767	S	S	*	*				46.2	152.6	115.2	-58.3	-3.1	0	0	0	123.8
654	T	27	Very low	31.9	Very low	127 Å²	127	117.4 Å²	117.4	78%	0.779	77%	0.771	S	S	*	*			trans	70.2	143.7	157.9	39	0	0	0	0	117.2
655	D	27.8	Very low	31	Very low	144 Å²	144	116.8 Å²	116.8	77%	0.77	77%	0.769	S	S	*	*			cis	-154.9	165.3	6.5	-139.1	-36.1	0	0	0	113.8
656	A	28.1	Very low	31	Very low	74 Å²	74	122 Å²	122	61%	0.612	78%	0.779	S	S	*	*			trans	58.7	148.6	151.6	0	0	0	0	0	121.2
657	Q	30.2	Very low	30.9	Very low	176 Å²	176	122.4 Å²	122.4	82%	0.822	78%	0.776	S	S	*	*			cis	-165	159.2	-8.6	-119.4	174.2	48.4	0	0	113
658	S	31.8	Very low	31.1	Very low	99 Å²	99	127.8 Å²	127.8	69%	0.692	78%	0.779	S	S	*	*			trans	74.3	84.5	144.6	-59.1	0	0	0	0	124
659	A	36.7	Very low	31.4	Very low	98 Å²	98	129.6 Å²	129.6	81%	0.81	78%	0.78	S	S	*	*				61	165.2	126.1	0	0	0	0	0	122.1
660	P	50.5	Low	31.5	Very low	114 Å²	114	127 Å²	127	74%	0.74	77%	0.774	S	S	*	*			cis	-132.7	162.5	-0.4	41.8	-25.3	0	0	0	118.4
661	S	33.3	Very low	31.6	Very low	102 Å²	102	125.4 Å²	125.4	71%	0.713	77%	0.766	S	S	*	*			trans	61.8	121.3	144.7	58.7	0	0	0	0	124.8
662	S	32.5	Very low	31.7	Very low	111 Å²	111	127.9 Å²	127.9	78%	0.776	77%	0.773	S	S	*	*			trans	71.3	139.9	143.5	65.3	0	0	0	0	121.7
663	S	31.4	Very low	31.9	Very low	114 Å²	114	128.1 Å²	128.1	80%	0.797	78%	0.779	S	S	*	*			cis	-172.2	135.2	-32.9	42.1	0	0	0	0	109.6
664	S	33.4	Very low	32.1	Very low	119 Å²	119	128 Å²	128	83%	0.832	78%	0.782	S	S	*	*			trans	-102.1	161.6	172.7	50.7	0	0	0	0	112.2
665	S	31	Very low	32.3	Very low	112 Å²	112	127.7 Å²	127.7	78%	0.783	79%	0.786	S	S	*	*			trans	-146.1	96.9	177	-59.3	0	0	0	0	112.9
666	E	34.6	Very low	32.4	Very low	194 Å²	194	127.1 Å²	127.1	91%	0.907	78%	0.782	S	S	*	*			trans	-116.7	153.7	138.4	-71.5	-164.1	139.8	0	0	107
667	S	30.9	Very low	33.3	Very low	119 Å²	119	128.8 Å²	128.8	83%	0.832	79%	0.787	S	S	*	*			trans	-154.5	129.1	-176.6	-63.9	0	0	0	0	111.6
668	E	29.5	Very low	33.3	Very low	195 Å²	195	125.3 Å²	125.3	91%	0.911	78%	0.778	S	S	*	*			trans	-83.6	172.6	-179.1	-61.9	-178.9	104.8	0	0	113
669	S	34	Very low	32.9	Very low	113 Å²	113	128.7 Å²	128.7	79%	0.79	78%	0.781	S	S	*	*			trans	-64.5	143.1	171.5	53.4	0	0	0	0	113.3
670	S	30.8	Very low	32.9	Very low	102 Å²	102	130.4 Å²	130.4	71%	0.713	78%	0.781	S	S	*	*			trans	-155.1	114.6	162.4	-86.7	0	0	0	0	114
671	N	31.4	Very low	32.4	Very low	133 Å²	133	129.5 Å²	129.5	71%	0.711	78%	0.775	S	S	*	*			trans	46.4	118.3	135.8	-47.8	-34.7	0	0	0	119.7
672	N	29.5	Very low	32	Very low	149 Å²	149	131.5 Å²	131.5	80%	0.797	78%	0.777	S	S	*	*				176.8	163.5	92.4	-98.4	-61.7	0	0	0	116.2
673	L	30.5	Very low	31.9	Very low	163 Å²	163	129.9 Å²	129.9	85%	0.853	77%	0.771	S	S	*	*			trans	76.2	113.3	155.3	-75.4	161.2	0	0	0	121.5
674	V	29.1	Very low	31.8	Very low	129 Å²	129	133.6 Å²	133.6	78%	0.782	77%	0.772	S	S	*	*			trans	-43.8	139.3	158.8	172.6	0	0	0	0	114.6
675	S	31.9	Very low	31.6	Very low	122 Å²	122	136.4 Å²	136.4	85%	0.853	77%	0.77	S	S	*	*			trans	-164.8	111.8	139.2	-78.2	0	0	0	0	111.2
676	D	29.3	Very low	31.4	Very low	131 Å²	131	140.7 Å²	140.7	70%	0.701	77%	0.769	S	S	*	*			trans	-94.4	140.2	152.7	-179.4	43.4	0	0	0	106.9	T678	D676-T678 PolarHBondContact OD1-N 3.32Å
677	P	46.5	Very low	31.2	Very low	109 Å²	109	138 Å²	138	71%	0.708	76%	0.756	S	S	*	*				-146.9	120	99.4	33.7	-14.1	0	0	0	116
678	T	30.3	Very low	31.1	Very low	103 Å²	103	136.8 Å²	136.8	63%	0.632	75%	0.747	S	S	*	*				78.4	148.4	114.2	-61.2	0	0	0	0	120.7	D676	D676-T678 PolarHBondContact OD1-N 3.32Å
679	F	24.2	Very low	31.2	Very low	171 Å²	171	139.2 Å²	139.2	75%	0.75	75%	0.748	S	S	*	*			trans	106.7	125.4	149	-129.4	-123.5	0	0	0	121	P681	F679-P681 HydrophobicContact CD1-CG 3.95Å; F679-P681 HydrophobicContact CE1-CB 4.19Å; F679-P681 HydrophobicContact CE1-CG 3.89Å
680	V	37.1	Very low	31.9	Very low	134 Å²	134	138.1 Å²	138.1	81%	0.812	74%	0.738	S	S	*	*			trans	-123.6	132.6	163	174.2	0	0	0	0	107.8
681	P	40	Very low	32.2	Very low	94 Å²	94	139.4 Å²	139.4	61%	0.61	74%	0.744	S	S	*	*			trans	-140.6	130.9	151.8	37	-22.9	0	0	0	116.1	F679	F679-P681 HydrophobicContact CD1-CG 3.95Å; F679-P681 HydrophobicContact CE1-CB 4.19Å; F679-P681 HydrophobicContact CE1-CG 3.89Å
682	N	24.8	Very low	32.2	Very low	144 Å²	144	139.9 Å²	139.9	77%	0.77	75%	0.747	S	S	*	*			trans	24	108.6	141.4	-85.8	-65	0	0	0	121.7
683	A	29.2	Very low	32.6	Very low	77 Å²	77	139 Å²	139	64%	0.636	74%	0.742	S	S	*	*				53.9	150.9	103.2	0	0	0	0	0	123.4
684	K	29.7	Very low	32.6	Very low	192 Å²	192	143 Å²	143	84%	0.835	75%	0.745	S	S	*	*			trans	79.4	125.5	168.1	-53.5	161.3	-176	167.8	0	113.4
685	K	29.1	Very low	32.9	Very low	178 Å²	178	144.8 Å²	144.8	77%	0.774	74%	0.743	S	S	*	*			cis	-170.7	143	48.7	-118.1	166.2	-177.1	172.1	0	111.3
686	R	28	Very low	32.7	Very low	203 Å²	203	145.9 Å²	145.9	77%	0.766	74%	0.744	S	S	*	*			trans	64.3	156.2	145.4	-68	169.5	171	-115.7	4.9	117.9
687	Q	30.3	Very low	32.9	Very low	138 Å²	138	146.2 Å²	146.2	65%	0.645	75%	0.751	S	S	*	*			cis	-155.2	146.2	-6.8	-128.7	166.8	-86.3	0	0	113
688	S	27.6	Very low	31.9	Very low	92 Å²	92	144.8 Å²	144.8	64%	0.643	76%	0.756	S	S	*	*			trans	35.3	116.3	146.5	59.7	0	0	0	0	123.7
689	R	32.8	Very low	32	Very low	247 Å²	247	150.5 Å²	150.5	93%	0.932	77%	0.766	S	S	*	*				53.5	168	116.7	-101.6	-153.8	166.6	177.2	-1.7	121
690	P	48.7	Very low	32.6	Very low	90 Å²	90	153 Å²	153	58%	0.584	77%	0.77	S	S	*	*			trans	-112.1	175.6	-131.6	44.6	-37.6	0	0	0	115.6
691	P	37.2	Very low	32.2	Very low	128 Å²	128	156.8 Å²	156.8	83%	0.831	78%	0.776	S	S	*	*			trans	-85.9	161.7	164.6	35.1	-33.6	0	0	0	113.6
692	N	30.8	Very low	31.6	Very low	144 Å²	144	155.8 Å²	155.8	77%	0.77	78%	0.782	S	S	*	*			trans	-128.6	144.7	-176	-92.8	-87.3	0	0	0	113.2
693	L	37.2	Very low	31.9	Very low	131 Å²	131	159.4 Å²	159.4	69%	0.686	79%	0.791	S	S	*	*			trans	19	123	134.4	-167.7	83.6	0	0	0	120.2
694	R	31.5	Very low	32	Very low	245 Å²	245	165.6 Å²	165.6	93%	0.925	80%	0.804	S	S	*	*			trans	-169	138.2	137.8	-94.7	141.5	-163.3	-118.6	7.3	109.1
695	K	34.9	Very low	31.9	Very low	168 Å²	168	161 Å²	161	73%	0.73	80%	0.801	S	S	*	*			cis	97.9	94.9	6.9	-158.1	179.7	-172.6	175.8	0	117
696	T	27.6	Very low	31.9	Very low	145 Å²	145	156.5 Å²	156.5	89%	0.89	80%	0.797	S	S	*	*			trans	-160.6	168.8	161.9	14.3	0	0	0	0	110.3
697	V	33.2	Very low	31.9	Very low	138 Å²	138	152.3 Å²	152.3	84%	0.836	80%	0.799	S	S	*	*				-153.5	142.1	-90.6	139.9	0	0	0	0	110.5
698	G	26.8	Very low	31.9	Very low	79 Å²	79	150.5 Å²	150.5	81%	0.814	80%	0.802	S	S	*	*			trans	-153.4	151.9	177.9	0	0	0	0	0	112.1
699	R	31.5	Very low	31.9	Very low	222 Å²	222	155.3 Å²	155.3	84%	0.838	81%	0.811	S	S	*	*			trans	-139.1	119.5	-139.2	-172	-175.5	-174.8	-153.7	5.4	118.1
700	R	37	Very low	31.7	Very low	225 Å²	225	150.9 Å²	150.9	85%	0.849	81%	0.806	S	S	*	*			trans	43.7	120.2	150.5	-66.5	-176.2	171.6	-171.7	-2.4	121.3
701	K	28	Very low	32.2	Very low	213 Å²	213	152.1 Å²	152.1	93%	0.926	81%	0.814	S	S	*	*				-177.1	149.9	113.7	-101.5	173.3	179.2	178.4	0	109.2
702	G	28.4	Very low	33	Very low	72 Å²	72	151.5 Å²	151.5	74%	0.742	81%	0.81	S	S	*	*			cis	137.4	93.1	-12.3	0	0	0	0	0	114.9
703	K	31.5	Very low	33.7	Very low	220 Å²	220	150.3 Å²	150.3	96%	0.957	81%	0.81	S	S	*	*			trans	-152.4	160.9	160.3	-105.8	177.2	-178.7	-177.7	0	110.2
704	K	30	Very low	33.6	Very low	207 Å²	207	152.4 Å²	152.4	90%	0.9	82%	0.817	S	S	*	*			trans	-158.3	169.1	-164	-171	-176.9	177.3	-172.2	0	110.1
705	A	29	Very low	34.3	Very low	95 Å²	95	145.7 Å²	145.7	79%	0.785	81%	0.805	S	S	*	*			trans	86.6	145.4	165.5	0	0	0	0	0	116.4
706	A	28	Very low	33.9	Very low	84 Å²	84	142.1 Å²	142.1	69%	0.694	80%	0.801	S	S	*	*			cis	-168	165.7	-15	0	0	0	0	0	112.1
707	S	28.5	Very low	33.9	Very low	115 Å²	115	143 Å²	143	80%	0.804	80%	0.795	S	S	*	*			trans	48.2	150.8	141.7	-72.3	0	0	0	0	122.2
708	S	30	Very low	33.7	Very low	100 Å²	100	144.1 Å²	144.1	70%	0.699	80%	0.795	S	S	*	*			cis	-179.9	148.6	-7.8	48.9	0	0	0	0	110.3
709	K	26.5	Very low	34.4	Very low	193 Å²	193	146.3 Å²	146.3	84%	0.839	80%	0.795	S	S	*	*				166.7	143.9	127	-98.1	-178.7	174.6	-174.2	0	113.3
710	D	29.8	Very low	34.3	Very low	154 Å²	154	143.9 Å²	143.9	82%	0.824	79%	0.793	S	S	*	*			trans	-111.7	-159.4	169.7	-47.9	-78.6	0	0	0	109.7
711	P	59	Low	34.6	Very low	117 Å²	117	138.9 Å²	138.9	76%	0.76	79%	0.79	S	S	*	*				-127.6	-144.3	-123.4	41	-17.4	0	0	0	111.3
712	P	54.5	Low	34.5	Very low	115 Å²	115	133.1 Å²	133.1	75%	0.747	78%	0.777	S	S	*	*			cis	-110	-103.9	-23	22.7	2.6	0	0	0	111.6
713	P	45.7	Very low	34.5	Very low	119 Å²	119	139 Å²	139	77%	0.773	79%	0.785	S	S	*	*			cis	-110.5	-177.4	3.8	43.9	-33.8	0	0	0	115.2
714	E	33.5	Very low	34.4	Very low	175 Å²	175	133 Å²	133	82%	0.818	78%	0.776	S	S	*	*			trans	-112.2	165.1	159.7	-156.2	177.3	-143.7	0	0	108.1
715	P	46.5	Very low	34.9	Very low	104 Å²	104	129.2 Å²	129.2	68%	0.675	77%	0.773	S	S	*	*				-147	-178.6	96.6	43	-25.8	0	0	0	111.4
716	S	26.9	Very low	34.9	Very low	92 Å²	92	132.9 Å²	132.9	64%	0.643	77%	0.773	S	S	*	*			cis	-160.5	163.5	27.1	-70.3	0	0	0	0	108.9
717	E	26.6	Very low	35.5	Very low	163 Å²	163	133.8 Å²	133.8	76%	0.762	77%	0.773	S	S	*	*			cis	-170.1	178.4	-20.6	-104.5	151.1	72.2	0	0	107.9
718	L	30.9	Very low	35.4	Very low	163 Å²	163	135.5 Å²	135.5	85%	0.853	77%	0.772	S	S	*	*			trans	-127.3	159	170.4	-81.6	169.6	0	0	0	110
719	P	39.5	Very low	35.2	Very low	124 Å²	124	140.2 Å²	140.2	81%	0.805	78%	0.783	S	S	*	*				-148.9	155.5	102.9	39.9	-24.7	0	0	0	116.2
720	E	30.7	Very low	35.2	Very low	171 Å²	171	138.7 Å²	138.7	80%	0.799	78%	0.783	S	S	*	*			trans	-79.2	-177.6	155.1	-61.1	-172	145.6	0	0	110.7
721	P	42.9	Very low	35.7	Very low	121 Å²	121	135.7 Å²	135.7	79%	0.786	77%	0.772	S	S	*	*				-143.8	138.7	93.7	36.9	-22	0	0	0	116.2
722	S	26.5	Very low	34.2	Very low	92 Å²	92	138.8 Å²	138.8	64%	0.643	78%	0.776	S	S	*	*			trans	19.5	137	139	65.7	0	0	0	0	121.3
723	E	27.1	Very low	32.9	Very low	195 Å²	195	138 Å²	138	91%	0.911	77%	0.773	S	S	*	*				-160.4	151.1	103	-112.6	178	-176.8	0	0	112.6
724	A	30.5	Very low	31.8	Very low	95 Å²	95	137.8 Å²	137.8	79%	0.785	77%	0.77	S	S	*	*			trans	-153.2	137.6	167.4	0	0	0	0	0	108
725	P	39.2	Very low	31.2	Very low	126 Å²	126	135 Å²	135	82%	0.818	77%	0.768	S	S	*	*				-146.6	157.5	114.7	40.1	-26.5	0	0	0	115.5
726	E	30.1	Very low	31.1	Very low	172 Å²	172	135.5 Å²	135.5	80%	0.804	77%	0.771	S	S	*	*			trans	-71.1	173.7	154.4	-96.7	-168.7	121.4	0	0	111.2
727	P	39.6	Very low	31.1	Very low	104 Å²	104	136.7 Å²	136.7	68%	0.675	78%	0.775	S	S	*	*			cis	-138.8	173	19.1	39.7	-20	0	0	0	117.9
728	L	27.4	Very low	31.3	Very low	150 Å²	150	137.2 Å²	137.2	79%	0.785	78%	0.777	S	S	*	*			trans	32.8	124.3	142.9	-61.2	169.2	0	0	0	121.6
729	E	25.7	Very low	31.2	Very low	200 Å²	200	134.5 Å²	134.5	94%	0.935	77%	0.772	S	S	*	*				-161.4	159	122.6	-115.9	172.3	-161.7	0	0	113.3
730	L	26.1	Very low	30.7	Very low	160 Å²	160	135 Å²	135	84%	0.838	77%	0.768	S	S	*	*			trans	-115.2	-167.1	179.5	-94.9	141.5	0	0	0	108.2
731	P	41.5	Very low	30.7	Very low	92 Å²	92	132.6 Å²	132.6	60%	0.597	77%	0.765	S	S	*	*			cis	-141.6	-170.8	5.1	45.3	-26	0	0	0	116.6
732	E	26.3	Very low	30	Very low	182 Å²	182	131.6 Å²	131.6	85%	0.85	77%	0.767	S	S	*	*			trans	63.2	168.6	149.5	-75.8	172.4	-143.4	0	0	121.5
733	S	27.1	Very low	30	Very low	98 Å²	98	131.5 Å²	131.5	69%	0.685	77%	0.772	S	S	*	*			cis	-175.6	176.1	-37.7	-172.7	0	0	0	0	111.1
734	V	22.9	Very low	30	Very low	115 Å²	115	127.9 Å²	127.9	70%	0.697	76%	0.762	S	S	*	*			trans	74.5	98.7	162.1	-165.6	0	0	0	0	120.2
735	C	21	Very low	29.8	Very low	116 Å²	116	129 Å²	129	78%	0.784	76%	0.76	S	S	*	*				40.2	-177	107.9	-51.9	0	0	0	0	122.4
736	P	45.6	Very low	29.3	Very low	114 Å²	114	131 Å²	131	74%	0.74	76%	0.758	S	S	*	*				-134.7	-153.2	-66	39.8	-21.5	0	0	0	114.3
737	V	26.1	Very low	29.4	Very low	118 Å²	118	131 Å²	131	72%	0.715	76%	0.758	S	S	*	*			trans	111.8	101.5	153.2	-167.2	0	0	0	0	120.8
738	Q	31.1	Very low	28.6	Very low	173 Å²	173	131.5 Å²	131.5	81%	0.808	76%	0.76	S	S	*	*				19.7	151.6	126.2	-52.7	172.3	-21	0	0	125
739	S	28.7	Very low	28.7	Very low	106 Å²	106	129.5 Å²	129.5	74%	0.741	76%	0.758	S	S	*	*			trans	-152.4	114.2	134	49.7	0	0	0	0	108.9
740	N	29.5	Very low	28.9	Very low	135 Å²	135	124.2 Å²	124.2	72%	0.722	75%	0.748	S	S	*	*				84.3	134.6	86	-73.9	-2.6	0	0	0	114.1
741	T	29.2	Very low	29	Very low	120 Å²	120	122.7 Å²	122.7	74%	0.736	75%	0.746	S	S	*	*			cis	-168.8	151	-7.3	11.6	0	0	0	0	111.5
742	A	28.2	Very low	28.4	Very low	101 Å²	101	123.4 Å²	123.4	84%	0.835	75%	0.752	S	S	*	*			trans	63.2	162.4	161.5	0	0	0	0	0	117.3
743	A	27.6	Very low	28.7	Very low	90 Å²	90	119.1 Å²	119.1	74%	0.744	74%	0.743	S	S	*	*			cis	-162.7	176.8	0.9	0	0	0	0	0	109.1
744	V	27	Very low	28.9	Very low	118 Å²	118	120.8 Å²	120.8	72%	0.715	74%	0.743	S	S	*	*			cis	-175.8	154.7	-26	136	0	0	0	0	108
745	T	26.9	Very low	29.2	Very low	118 Å²	118	121.8 Å²	121.8	72%	0.724	74%	0.744	S	S	*	*			trans	62.9	153	173.2	42.4	0	0	0	0	117.9
746	E	28.4	Very low	29.6	Very low	169 Å²	169	123 Å²	123	79%	0.79	74%	0.742	S	S	*	*			cis	-150.6	-172.1	-4.1	-138	155.2	-146.7	0	0	114.1
747	Q	30.7	Very low	28.7	Very low	173 Å²	173	122.6 Å²	122.6	81%	0.808	74%	0.742	S	S	*	*			trans	-78	-179	-178.1	-58.3	157.3	-20.4	0	0	111.9
748	T	24.3	Very low	29.8	Very low	114 Å²	114	122.6 Å²	122.6	70%	0.699	74%	0.744	S	S	*	*			cis	-147.9	151	23.6	46.9	0	0	0	0	110
749	S	28	Very low	30.4	Very low	108 Å²	108	119.2 Å²	119.2	76%	0.755	74%	0.737	S	S	*	*				39.2	148.5	79.8	77.4	0	0	0	0	116
750	A	30.5	Very low	30.2	Very low	88 Å²	88	121.6 Å²	121.6	73%	0.727	74%	0.741	S	S	*	*			cis	-164.9	175.3	9.6	0	0	0	0	0	109.6
751	V	28.2	Very low	30	Very low	129 Å²	129	122.5 Å²	122.5	78%	0.782	75%	0.745	S	S	*	*			cis	-172.5	144.9	-18.1	126.3	0	0	0	0	111.3
752	S	28.5	Very low	29.8	Very low	106 Å²	106	123.1 Å²	123.1	74%	0.741	75%	0.749	S	S	*	*			trans	70.3	172.3	163.2	87.1	0	0	0	0	119
753	S	32.8	Very low	30	Very low	93 Å²	93	127 Å²	127	65%	0.65	75%	0.749	S	S	*	*			cis	-158.7	163	11.6	-93.6	0	0	0	0	108.4
754	I	32.3	Very low	29.8	Very low	133 Å²	133	131.3 Å²	131.3	68%	0.682	75%	0.752	S	S	*	*			cis	177.9	161	-0.9	-99	170	0	0	0	107
755	N	29.2	Very low	30	Very low	135 Å²	135	132 Å²	132	72%	0.722	75%	0.751	S	S	*	*			trans	77.7	110.9	158	-78	-8.3	0	0	0	126.3
756	L	28.3	Very low	30.1	Very low	143 Å²	143	138.2 Å²	138.2	75%	0.749	76%	0.761	S	S	*	*				65.7	109.3	115.2	-63.3	172.6	0	0	0	124.9
757	S	26.9	Very low	29.9	Very low	105 Å²	105	142 Å²	142	73%	0.734	77%	0.768	S	S	*	*			trans	86.3	-170.1	131.6	-44	0	0	0	0	118.6
758	P	50.3	Low	29.7	Very low	117 Å²	117	138 Å²	138	76%	0.76	76%	0.76	S	S	*	*				-131.5	-150.8	-120	41.7	-17.5	0	0	0	112.7
759	P	42	Very low	29.7	Very low	103 Å²	103	143 Å²	143	67%	0.669	77%	0.768	S	S	*	*			cis	-138.7	171.6	-10.1	43.8	-26.3	0	0	0	117.9
760	L	25	Very low	29.7	Very low	155 Å²	155	145.9 Å²	145.9	81%	0.812	77%	0.773	S	S	*	*			trans	50.9	152.5	147.2	-99.7	89.9	0	0	0	125.1
761	L	24.9	Very low	29.5	Very low	155 Å²	155	149.8 Å²	149.8	81%	0.812	78%	0.78	S	S	*	*			trans	72	164.6	167.8	-63.7	170.9	0	0	0	115.4
762	T	26.7	Very low	29.3	Very low	132 Å²	132	148.5 Å²	148.5	81%	0.81	78%	0.777	S	S	*	*			cis	-136.9	154.7	10.1	-46.1	0	0	0	0	112.1
763	Q	31.8	Very low	29.3	Very low	182 Å²	182	153.7 Å²	153.7	85%	0.85	78%	0.781	S	S	*	*			trans	-99.2	116.4	174	178.5	-167.6	17.7	0	0	112.1
764	K	24.1	Very low	29.3	Very low	182 Å²	182	157.4 Å²	157.4	79%	0.791	79%	0.787	S	S	*	*			trans	-170.4	159.8	146.2	-116.5	178.1	179	-177.3	0	115.1
765	D	29.4	Very low	29.2	Very low	132 Å²	132	157.3 Å²	157.3	71%	0.706	80%	0.795	S	S	*	*			trans	52.2	90.8	153.6	-53.2	-25.5	0	0	0	120.3
766	R	28.9	Very low	29.1	Very low	249 Å²	249	156.5 Å²	156.5	94%	0.94	80%	0.795	S	S	*	*			trans	-158.3	100.4	133.3	-124.6	173.6	175.6	179.9	-1.9	114.6
767	W	24.5	Very low	29.1	Very low	247 Å²	247	157.7 Å²	157.7	94%	0.936	80%	0.802	S	S	*	*			trans	-96.1	133.2	146.1	-84.5	86.7	0	0	0	108.2
768	S	26.7	Very low	29.2	Very low	91 Å²	91	162 Å²	162	64%	0.636	81%	0.807	S	S	*	*			trans	148.5	146.9	135.3	-66	0	0	0	0	114.4
769	Y	25.1	Very low	28.2	Very low	218 Å²	218	160.1 Å²	160.1	86%	0.855	80%	0.802	S	S	*	*			trans	57.7	103.6	160.7	-57.5	-60.5	0	0	0	120.8
770	I	28.7	Very low	27.6	Very low	169 Å²	169	163.6 Å²	163.6	87%	0.867	81%	0.809	S	S	*	*			trans	-132.8	102.3	136.1	-59.6	-177.7	0	0	0	109.3
771	L	24.6	Very low	27.7	Very low	169 Å²	169	164.8 Å²	164.8	89%	0.885	81%	0.808	S	S	*	*			trans	-157.8	82.3	156.6	-94.9	-168.8	0	0	0	110.8
772	S	25.1	Very low	27.8	Very low	102 Å²	102	163.7 Å²	163.7	71%	0.713	80%	0.803	S	S	*	*			trans	-170.9	127.7	148.2	-94.5	0	0	0	0	115.6
773	R	28.3	Very low	27.9	Very low	216 Å²	216	164.1 Å²	164.1	82%	0.815	80%	0.799	S	S	*	*			trans	63.4	108.8	138	-59.3	-179.7	-179.4	-145.6	-3.4	120.5
774	H	32.4	Very low	27.6	Very low	170 Å²	170	160.5 Å²	160.5	79%	0.787	79%	0.793	S	S	*	*				37.3	147.3	124.7	-52.7	-67.1	0	0	0	121.8
775	P	31.3	Very low	27.9	Very low	131 Å²	131	160.5 Å²	160.5	85%	0.851	80%	0.796	S	S	*	*				-111.9	158.9	123.1	34.3	-32.8	0	0	0	113.2
776	V	27.1	Very low	28.4	Very low	118 Å²	118	159.9 Å²	159.9	72%	0.715	80%	0.799	S	S	*	*			trans	-103.4	148.7	174.3	169.7	0	0	0	0	109.1
777	N	28.6	Very low	29	Very low	169 Å²	169	153.4 Å²	153.4	90%	0.904	79%	0.789	S	S	*	*			trans	-128.6	153.9	158.9	-115	-35.1	0	0	0	111.6
778	K	28.9	Very low	30.1	Very low	194 Å²	194	146.7 Å²	146.7	84%	0.843	78%	0.778	S	S	*	*			trans	-112	164.3	-156	-68.7	179.4	179.2	173.1	0	115.1
779	A	28.1	Very low	30.1	Very low	79 Å²	79	147.4 Å²	147.4	65%	0.653	78%	0.778	S	S	*	*			trans	97.8	112.5	144.3	0	0	0	0	0	119.6
780	H	29	Very low	30.5	Very low	176 Å²	176	144.7 Å²	144.7	82%	0.815	77%	0.773	S	S	*	*				45.5	140.2	125.9	-51.2	-45.4	0	0	0	120.2
781	K	28.6	Very low	30.5	Very low	180 Å²	180	143.5 Å²	143.5	78%	0.783	77%	0.768	S	S	*	*			cis	-168.2	141.7	33.3	-138.8	161.7	-174	177	0	112.2
782	N	27.2	Very low	30.6	Very low	131 Å²	131	138.8 Å²	138.8	70%	0.701	76%	0.761	S	S	*	*			trans	55.6	129.7	140.4	-77.9	13.8	0	0	0	125.3
783	I	27.5	Very low	30.8	Very low	142 Å²	142	140 Å²	140	73%	0.728	76%	0.763	S	S	*	*				100.3	122.3	125.1	-74.7	170	0	0	0	122.1
784	S	25.7	Very low	30.7	Very low	105 Å²	105	135.7 Å²	135.7	73%	0.734	76%	0.762	S	S	*	*			trans	61.2	121.2	149.3	70.5	0	0	0	0	124.8
785	H	29.8	Very low	30.6	Very low	182 Å²	182	133.1 Å²	133.1	84%	0.843	76%	0.763	S	S	*	*			trans	-64.9	165.4	139.7	-71.9	-62.1	0	0	0	111.2
786	P	40.1	Very low	30.4	Very low	120 Å²	120	135.6 Å²	135.6	78%	0.779	76%	0.763	S	S	*	*			cis	-150.5	-136	45	49.8	-25.8	0	0	0	115
787	P	42.1	Very low	30.3	Very low	112 Å²	112	137 Å²	137	73%	0.727	77%	0.771	S	S	*	*			trans	-122.5	-141	-147.4	38.7	-11.5	0	0	0	111
788	P	47.3	Very low	30.2	Very low	107 Å²	107	138.1 Å²	138.1	70%	0.695	77%	0.768	S	S	*	*			cis	-124.6	-138.7	-17.4	26.1	1.6	0	0	0	111.4
789	T	27.3	Very low	31	Very low	106 Å²	106	133.8 Å²	133.8	65%	0.65	76%	0.76	S	S	*	*			cis	-168	163.1	9.2	-13.4	0	0	0	0	111.8
790	Q	32.4	Very low	30.7	Very low	161 Å²	161	135.6 Å²	135.6	75%	0.752	77%	0.768	S	S	*	*			trans	69.1	156.6	151.2	-72.6	178.6	22.2	0	0	119.1
791	N	28.8	Very low	31	Very low	143 Å²	143	135.9 Å²	135.9	77%	0.765	77%	0.769	S	S	*	*			cis	-160.5	152.9	-7.7	-118.8	-16.9	0	0	0	113.9
792	G	28.2	Very low	31.4	Very low	70 Å²	70	133.3 Å²	133.3	72%	0.722	77%	0.771	S	S	*	*			trans	81.8	164.5	146.7	0	0	0	0	0	120.7
793	V	28.2	Very low	31.7	Very low	127 Å²	127	134.3 Å²	134.3	77%	0.77	78%	0.776	S	S	*	*			cis	-165.7	148.1	-14.7	96.1	0	0	0	0	113.2
794	T	27	Very low	33	Very low	127 Å²	127	132.3 Å²	132.3	78%	0.779	77%	0.772	S	S	*	*			trans	62.3	159.1	165.5	56	0	0	0	0	119.7
795	S	28.6	Very low	33.2	Very low	116 Å²	116	132.8 Å²	132.8	81%	0.811	77%	0.771	S	S	*	*			cis	-151	174.4	2.1	-132.1	0	0	0	0	113.8
796	E	27.3	Very low	33.2	Very low	183 Å²	183	133.2 Å²	133.2	86%	0.855	77%	0.77	S	S	*	*			trans	-84.9	167.2	178.6	-60.9	178.6	86.2	0	0	115.3
797	V	26.2	Very low	32.7	Very low	147 Å²	147	137.1 Å²	137.1	89%	0.891	78%	0.775	S	S	*	*				176.8	147.2	120.4	149	0	0	0	0	113.3
798	K	26.1	Very low	32.8	Very low	193 Å²	193	137.6 Å²	137.6	84%	0.839	78%	0.778	S	S	*	*			trans	-147.7	173.6	168	-135.1	-163.8	167.4	-177.1	0	106.5
799	P	44.8	Very low	32.7	Very low	102 Å²	102	138.1 Å²	138.1	66%	0.662	78%	0.781	S	S	*	*			cis	-138.3	-173.8	-6.5	44.4	-27.1	0	0	0	115.4
800	S	23.1	Very low	32.9	Very low	118 Å²	118	140.4 Å²	140.4	83%	0.825	79%	0.788	S	S	*	*			trans	-177.5	164.2	136.9	38.7	0	0	0	0	113.2
801	H	33.9	Very low	33.1	Very low	181 Å²	181	138.9 Å²	138.9	84%	0.838	79%	0.792	S	S	*	*			trans	-148.2	152.8	172	-107.9	-77.8	0	0	0	108.2
802	P	38.5	Very low	32.9	Very low	126 Å²	126	136.7 Å²	136.7	82%	0.818	79%	0.794	S	S	*	*				-141.4	179.7	129.3	31.7	-13.8	0	0	0	114.8
803	D	31.9	Very low	32.9	Very low	152 Å²	152	145.2 Å²	145.2	81%	0.813	80%	0.804	S	S	*	*			trans	-134.4	-166.4	-171.4	-137.9	-15.6	0	0	0	107.8
804	P	56.5	Low	33	Very low	100 Å²	100	145.3 Å²	145.3	65%	0.649	81%	0.805	S	S	*	*			cis	-130.7	-159.5	-33.6	34.9	-14.7	0	0	0	112.4
805	V	29.6	Very low	33.2	Very low	115 Å²	115	145.5 Å²	145.5	70%	0.697	81%	0.808	S	S	*	*			trans	155.2	111.9	131.7	162.6	0	0	0	0	118.8
806	K	29.2	Very low	33.1	Very low	192 Å²	192	149.2 Å²	149.2	84%	0.835	81%	0.81	S	S	*	*			trans	64.7	155.6	137.4	-60.7	176.5	-166.2	170.2	0	126.2
807	K	30.1	Very low	33.8	Very low	201 Å²	201	146 Å²	146	87%	0.874	81%	0.805	S	S	*	*			trans	-150.6	146.1	174.2	-57.2	179	-176.3	177.6	0	110.5
808	P	44.6	Very low	34	Very low	123 Å²	123	144.9 Å²	144.9	80%	0.799	80%	0.8	S	S	*	*				-149.1	-151.5	114	41.3	-22.7	0	0	0	110.5
809	P	44.4	Very low	34	Very low	117 Å²	117	143.7 Å²	143.7	76%	0.76	80%	0.802	S	S	*	*			cis	-130.7	-159.2	-13.8	43	-23.6	0	0	0	114.3
810	I	31	Very low	33.1	Very low	154 Å²	154	144.6 Å²	144.6	79%	0.79	81%	0.811	S	S	*	*			trans	-148.8	157	176.6	-46.3	171.8	0	0	0	109.5
811	P	36.4	Very low	33.4	Very low	130 Å²	130	145.3 Å²	145.3	84%	0.844	81%	0.811	S	S	*	*			trans	-139.9	172	134.5	38.3	-25	0	0	0	114.9
812	A	26.3	Very low	33	Very low	97 Å²	97	146.5 Å²	146.5	80%	0.802	82%	0.816	S	S	*	*			trans	-145.9	162.9	-169.9	0	0	0	0	0	115.2
813	R	26.4	Very low	32.5	Very low	249 Å²	249	148.9 Å²	148.9	94%	0.94	82%	0.817	S	S	*	*			trans	-162.4	164.3	157.1	-123.6	176.2	-178.8	177.9	0.4	114.6
814	V	30.6	Very low	32.3	Very low	129 Å²	129	153.6 Å²	153.6	78%	0.782	82%	0.823	S	S	*	*			trans	-148.9	137.5	-168.9	164.7	0	0	0	0	107.8
815	P	32.4	Very low	31	Very low	130 Å²	130	155 Å²	155	84%	0.844	83%	0.83	S	S	*	*				-150.5	172.2	97.3	36.9	-15.3	0	0	0	118.7
816	K	26.7	Very low	31	Very low	195 Å²	195	153 Å²	153	85%	0.848	83%	0.833	S	S	*	*			trans	-78.7	178.5	-178.5	-78.5	178.9	175.1	-179.4	0	114.3
817	P	41.4	Very low	31.2	Very low	116 Å²	116	152.1 Å²	152.1	75%	0.753	84%	0.837	S	S	*	*			cis	-110.1	-128.3	1	42.8	-28.6	0	0	0	111.3
818	P	30.8	Very low	31.3	Very low	122 Å²	122	148 Å²	148	79%	0.792	83%	0.83	S	S	*	*			cis	-104.5	-150.5	4	44.1	-35.5	0	0	0	114
819	L	26.4	Very low	30.8	Very low	169 Å²	169	146.6 Å²	146.6	89%	0.885	82%	0.821	S	S	*	*			trans	-143.9	146.7	171.5	-87.1	168.3	0	0	0	111.3
820	S	24.6	Very low	30.4	Very low	120 Å²	120	149.8 Å²	149.8	84%	0.839	82%	0.823	S	S	*	*			trans	-150	146.9	152.9	61.7	0	0	0	0	110.1
821	T	29	Very low	30.5	Very low	134 Å²	134	145.7 Å²	145.7	82%	0.822	81%	0.812	S	S	*	*			trans	-108.6	138.2	-173.6	48.8	0	0	0	0	112
822	E	27.1	Very low	30.5	Very low	205 Å²	205	142.1 Å²	142.1	96%	0.958	79%	0.793	S	S	*	*			trans	-152.8	144.1	143.7	-128.2	174.1	-162.7	0	0	110.9
823	E	26.5	Very low	31.1	Very low	177 Å²	177	143 Å²	143	83%	0.827	78%	0.781	S	S	*	*			trans	-139.3	126.1	-166.4	179.4	179.9	-157.7	0	0	109.9
824	R	28	Very low	31.5	Very low	250 Å²	250	138.7 Å²	138.7	94%	0.943	77%	0.774	S	S	*	*			trans	-156.9	90.6	174.1	-158.2	177.9	-168.3	-154.7	2.8	113.4
825	T	29.4	Very low	32.1	Very low	129 Å²	129	140.8 Å²	140.8	79%	0.791	77%	0.769	S	S	*	*			trans	-111.6	135.4	172.6	40.3	0	0	0	0	111.4
826	G	29.5	Very low	32.1	Very low	75 Å²	75	136.8 Å²	136.8	77%	0.773	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-93.8	159.8	173.7	0	0	0	0	0	112.2
827	L	33.7	Very low	32.2	Very low	173 Å²	173	131 Å²	131	91%	0.906	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-78.8	150.1	179.6	-64.3	169.3	0	0	0	112.2
828	P	33.3	Very low	31.8	Very low	114 Å²	114	137.2 Å²	137.2	74%	0.74	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-78.7	157	172	33.6	-35.3	0	0	0	112.3
829	P	33	Very low	31.9	Very low	93 Å²	93	135 Å²	135	60%	0.604	76%	0.757	S	S	*	*			trans	-91.2	-165.1	-177.4	-5.1	27.7	0	0	0	113.1	E833	P829-E833 VanDerWaalsContact CB-CD 3.5Å; P829-E833 WeakPolarHBondContact CB-OE1 3.41Å; P829-E833 VanDerWaalsContact CB-OE2 3.27Å; P829-E833 WeakPolarHBondContact CB-OE2 3.36Å; P829-E833 WeakPolarHBondContact CG-OE1 3.15Å; P829-E833 WeakPolarHBondContact CG-OE2 3.48Å
830	K	35.1	Very low	32	Very low	185 Å²	185	132 Å²	132	80%	0.804	76%	0.756	S	S	*	*			trans	-141.1	122.9	-154	-173	175.6	-177.7	175.5	0	115.5	A832	K830-A832 VanDerWaalsContact C-N 3.3Å; K830-A832 PolarHBondContact O-N 3.02Å
831	A	35	Very low	32.6	Very low	67 Å²	67	136.4 Å²	136.4	55%	0.554	76%	0.76	S	S	*	*	S	Bend	trans	58.7	-57.8	161.8	0	0	0	0	0	118.1	E833 M834	A831-E833 PolarHBondContact O-N 3.02Å; A831-M834 WeakPolarHBondContact O-CB 3.33Å; A831-M834 PolarHBondContact O-N 2.94Å
832	A	36.1	Very low	32.7	Very low	55 Å²	55	139.5 Å²	139.5	46%	0.455	76%	0.762	S	S	.	*	G	3₁₀ helix	trans	-63.3	-26.6	-179.4	0	0	0	0	0	112.8	K830 M834	K830-A832 VanDerWaalsContact C-N 3.3Å; K830-A832 PolarHBondContact O-N 3.02Å; A832-M834 VanDerWaalsContact C-N 3.31Å; A832-M834 PolarHBondContact O-N 3.28Å
833	E	37.4	Very low	33.2	Very low	117 Å²	117	135.5 Å²	135.5	55%	0.547	75%	0.754	S	S	.	*	G	3₁₀ helix	trans	-79.4	-7.2	179.6	-66.1	174.7	-166.1	0	0	114.1	P829 A831 Y835 G836	P829-E833 VanDerWaalsContact CB-CD 3.5Å; P829-E833 WeakPolarHBondContact CB-OE1 3.41Å; P829-E833 VanDerWaalsContact CB-OE2 3.27Å; P829-E833 WeakPolarHBondContact CB-OE2 3.36Å; P829-E833 WeakPolarHBondContact CG-OE1 3.15Å; P829-E833 WeakPolarHBondContact CG-OE2 3.48Å; A831-E833 PolarHBondContact O-N 3.02Å; E833-Y835 PolarHBondContact O-N 3.46Å; E833-Y835 VanDerWaalsContact O-N 3.09Å; E833-G836 PolarHBondContact O-N 3.34Å
834	M	36.1	Very low	33.3	Very low	158 Å²	158	134.5 Å²	134.5	78%	0.778	76%	0.755	S	S	*	*	G	3₁₀ helix	trans	-66.7	-10.8	-179.1	-75.1	171.5	50.7	0	0	114.1	A831 A832	A831-M834 WeakPolarHBondContact O-CB 3.33Å; A831-M834 PolarHBondContact O-N 2.94Å; A832-M834 VanDerWaalsContact C-N 3.31Å; A832-M834 PolarHBondContact O-N 3.28Å
835	Y	42.9	Very low	33.6	Very low	173 Å²	173	127.8 Å²	127.8	68%	0.678	74%	0.743	S	S	*	*	G	3₁₀ helix	trans	-105.3	8.3	174.5	-66.2	-81.1	0	0	0	113.3	V504 E833	V504-Y835 HydrophobicContact CG1-CD1 3.8Å; V504-Y835 HydrophobicContact CG1-CE1 4.45Å; E833-Y835 PolarHBondContact O-N 3.46Å; E833-Y835 VanDerWaalsContact O-N 3.09Å
836	G	31.8	Very low	33.8	Very low	45 Å²	45	128.4 Å²	128.4	46%	0.464	75%	0.747	S	S	.	*			trans	-86.5	110.6	174.3	0	0	0	0	0	112.6	E833	E833-G836 PolarHBondContact O-N 3.34Å
837	G	29.6	Very low	33.9	Very low	75 Å²	75	131.7 Å²	131.7	77%	0.773	75%	0.745	S	S	*	*			trans	-71.1	130.2	176.9	0	0	0	0	0	113.8
838	Y	33	Very low	33.9	Very low	245 Å²	245	128.4 Å²	128.4	96%	0.961	73%	0.734	S	S	*	*			trans	-67.4	140.6	165.2	-56.3	-99.8	0	0	0	109.6
839	G	33.3	Very low	33.9	Very low	76 Å²	76	128.1 Å²	128.1	78%	0.784	73%	0.732	S	S	*	*			cis	155.4	161.9	-1.5	0	0	0	0	0	110.1
840	A	27.6	Very low	34	Very low	107 Å²	107	130 Å²	130	88%	0.884	74%	0.744	S	S	*	*			trans	-133.6	110.9	179.9	0	0	0	0	0	112.3
841	K	36.7	Very low	33.6	Very low	211 Å²	211	127 Å²	127	92%	0.917	74%	0.742	S	S	*	*			trans	-99.7	128.5	172.3	-69.1	-177.3	179.1	179.2	0	110.4
842	K	32.7	Very low	33.3	Very low	199 Å²	199	129 Å²	129	87%	0.865	75%	0.752	S	S	*	*			trans	-133.6	152.4	158.1	-78.4	-167.8	175.9	-178.2	0	109.2
843	P	37	Very low	33.5	Very low	122 Å²	122	132.8 Å²	132.8	79%	0.792	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-81.6	147.1	-166.7	32.2	-35.6	0	0	0	112.9
844	N	28.8	Very low	32.9	Very low	156 Å²	156	131.8 Å²	131.8	83%	0.834	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-84.6	142.1	167.7	-84.4	-10	0	0	0	110.9
845	P	32.8	Very low	32.5	Very low	109 Å²	109	132.2 Å²	132.2	71%	0.708	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-76.9	156.3	173.3	33.1	-35.1	0	0	0	112
846	V	34.6	Very low	32.1	Very low	142 Å²	142	129 Å²	129	86%	0.861	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-94.8	133.6	170.5	177	0	0	0	0	109.2
847	I	30.8	Very low	31.8	Very low	144 Å²	144	131.6 Å²	131.6	74%	0.738	80%	0.798	S	S	*	*			trans	-129.1	128.7	169.8	-60	-179.2	0	0	0	107.8
848	P	33.5	Very low	31.7	Very low	104 Å²	104	133.9 Å²	133.9	68%	0.675	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-81.2	163.4	-176.9	33.7	-36.3	0	0	0	113
849	P	34.6	Very low	31.6	Very low	108 Å²	108	128.8 Å²	128.8	70%	0.701	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-72.3	148.8	176.4	30.8	-35.7	0	0	0	112.5
850	P	33.8	Very low	31.4	Very low	132 Å²	132	133.5 Å²	133.5	86%	0.857	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-75.5	151.8	174.1	32.2	-35	0	0	0	112.2
851	T	26.4	Very low	31.4	Very low	123 Å²	123	132.7 Å²	132.7	76%	0.755	77%	0.772	S	S	*	*			trans	-136.3	156.8	-176.5	-53.1	0	0	0	0	110.4
852	S	29	Very low	32.1	Very low	108 Å²	108	128.2 Å²	128.2	76%	0.755	77%	0.765	S	S	*	*			trans	90.4	158.2	166	-37.4	0	0	0	0	116.6
853	P	41.3	Very low	31.8	Very low	135 Å²	135	124.5 Å²	124.5	88%	0.877	76%	0.758	S	S	*	*			cis	-114.5	179.1	-5.1	18.1	5.4	0	0	0	113.9
854	A	24.8	Very low	31.2	Very low	95 Å²	95	124.1 Å²	124.1	79%	0.785	75%	0.754	S	S	*	*			trans	-108.3	168.6	-173.2	0	0	0	0	0	113.9
855	I	27.1	Very low	31	Very low	168 Å²	168	127.6 Å²	127.6	86%	0.862	76%	0.755	S	S	*	*			trans	-149.9	149.1	149.7	-105.2	157.8	0	0	0	107.6
856	P	33.8	Very low	30.7	Very low	106 Å²	106	127.2 Å²	127.2	69%	0.688	75%	0.751	S	S	*	*			trans	-115.9	170.3	-150	41.1	-32.7	0	0	0	116.3
857	S	25.8	Very low	30.4	Very low	98 Å²	98	126.6 Å²	126.6	69%	0.685	75%	0.753	S	S	*	*			trans	67.5	152	156.4	-80	0	0	0	0	117.5
858	D	27.7	Very low	30.2	Very low	123 Å²	123	123 Å²	123	66%	0.658	75%	0.751	S	S	*	*			cis	-159.6	168.7	-2.3	-118.4	-28.8	0	0	0	113.7
859	H	30.5	Very low	29.9	Very low	139 Å²	139	124.8 Å²	124.8	64%	0.644	76%	0.761	S	S	*	*			trans	55.6	123.6	148.4	-79.5	-72.8	0	0	0	123.9
860	H	30.9	Very low	29.8	Very low	174 Å²	174	124.9 Å²	124.9	81%	0.806	76%	0.764	S	S	*	*			trans	72.8	140.4	144.8	-61.7	-56	0	0	0	123.1
861	A	25.9	Very low	30.7	Very low	90 Å²	90	123.5 Å²	123.5	74%	0.744	76%	0.755	S	S	*	*			trans	-117.9	-179.1	160.3	0	0	0	0	0	107.6
862	P	52.3	Low	31	Very low	118 Å²	118	124.7 Å²	124.7	77%	0.766	76%	0.756	S	S	*	*			cis	-138.3	-153.5	6	34.7	-10.1	0	0	0	114.4
863	V	25.9	Very low	31.2	Very low	120 Å²	120	126.3 Å²	126.3	73%	0.727	76%	0.755	S	S	*	*			trans	97.2	91.4	159.4	-166.4	0	0	0	0	119.6
864	T	24.3	Very low	30.8	Very low	114 Å²	114	125.3 Å²	125.3	70%	0.699	75%	0.747	S	S	*	*				27.8	152.5	124.3	20.8	0	0	0	0	125.9
865	W	24.8	Very low	31.1	Very low	230 Å²	230	128.3 Å²	128.3	87%	0.871	75%	0.745	S	S	*	*			trans	84.6	154.3	157.9	-73.4	25.1	0	0	0	118.5
866	T	26.3	Very low	31.6	Very low	101 Å²	101	127.1 Å²	127.1	62%	0.62	74%	0.738	S	S	*	*			cis	-172.1	151.6	-37.9	36.1	0	0	0	0	109.7
867	S	28.7	Very low	31.5	Very low	128 Å²	128	126.3 Å²	126.3	90%	0.895	74%	0.735	S	S	*	*			trans	66.8	157.5	164.9	-53.3	0	0	0	0	116.5
868	G	26.4	Very low	31.8	Very low	68 Å²	68	126 Å²	126	70%	0.701	73%	0.733	S	S	*	*			cis	-150	-161.1	-7.9	0	0	0	0	0	108.6
869	T	28.5	Very low	31.9	Very low	143 Å²	143	129.5 Å²	129.5	88%	0.877	74%	0.743	S	S	*	*			cis	-157.7	162.8	7.3	-55.6	0	0	0	0	108.8
870	S	31	Very low	31.7	Very low	109 Å²	109	132.6 Å²	132.6	76%	0.762	75%	0.754	S	S	*	*			trans	-89.3	-148.8	174.4	-37.2	0	0	0	0	110.8
871	P	54.4	Low	31.6	Very low	104 Å²	104	133.4 Å²	133.4	68%	0.675	76%	0.755	S	S	*	*			cis	-140.4	-178.3	13.5	40.7	-18.9	0	0	0	117
872	L	31	Very low	31.6	Very low	148 Å²	148	135 Å²	135	78%	0.775	76%	0.757	S	S	*	*			trans	-166	-145.3	131.6	-116.8	44	0	0	0	113.8
873	L	34.4	Very low	30.4	Very low	142 Å²	142	140.7 Å²	140.7	74%	0.743	76%	0.762	S	S	*	*				-155.1	172.2	-129.8	-74.5	-171	0	0	0	113.8
874	T	31.9	Very low	30.4	Very low	113 Å²	113	140.2 Å²	140.2	69%	0.693	76%	0.764	S	S	*	*			cis	-171.6	152.7	-44.2	26.6	0	0	0	0	106.7
875	E	32.4	Very low	30.7	Very low	159 Å²	159	140.3 Å²	140.3	74%	0.743	77%	0.77	S	S	*	*			cis	-134.7	-85.4	-7.9	-178.9	-157.4	90.8	0	0	111.1	S877	E875-S877 PolarHBondContact OE1-N 3.16Å
876	I	36.8	Very low	30.9	Very low	142 Å²	142	138.1 Å²	138.1	73%	0.728	77%	0.767	S	S	*	*			cis	-141.7	102.4	-8.6	-47.8	176	0	0	0	111.1
877	S	30.8	Very low	31.1	Very low	89 Å²	89	141.1 Å²	141.1	62%	0.622	78%	0.777	S	S	*	*			trans	66.5	160	162.2	97.5	0	0	0	0	118.4	E875	E875-S877 PolarHBondContact OE1-N 3.16Å
878	S	33.3	Very low	31.1	Very low	92 Å²	92	140.3 Å²	140.3	64%	0.643	77%	0.771	S	S	*	*			cis	-155.2	146	-6	17.7	0	0	0	0	113.6
879	F	30.3	Very low	31.7	Very low	196 Å²	196	142.6 Å²	142.6	86%	0.86	78%	0.777	S	S	*	*			trans	19.2	142.8	155.8	-49.4	-71.2	0	0	0	122.2
880	K	26	Very low	32.6	Very low	204 Å²	204	139.2 Å²	139.2	89%	0.887	77%	0.771	S	S	*	*			cis	-149	171.8	44.8	-76.1	178.1	178.9	172.6	0	115.2
881	K	29	Very low	33.4	Very low	191 Å²	191	139.6 Å²	139.6	83%	0.83	76%	0.763	S	S	*	*			trans	-58.8	168.2	178.6	-65.2	174.3	176.1	171.9	0	113.9
882	T	24.3	Very low	34.1	Very low	125 Å²	125	137 Å²	137	77%	0.767	75%	0.747	S	S	*	*			cis	-164.1	141.4	35.9	-27.2	0	0	0	0	117.2
883	R	27.3	Very low	35.9	Very low	236 Å²	236	136.6 Å²	136.6	89%	0.891	75%	0.746	S	S	*	*			trans	55.3	97.4	141	-158.2	175.9	-162.7	172.3	4.8	123
884	S	26.3	Very low	37.6	Very low	110 Å²	110	133.9 Å²	133.9	77%	0.769	74%	0.736	S	S	*	*			trans	-12.7	145.7	144.3	177.5	0	0	0	0	121.6
885	S	30.9	Very low	39.6	Very low	117 Å²	117	132.1 Å²	132.1	82%	0.818	72%	0.72	S	S	*	*			trans	-141.3	122.1	134.6	59	0	0	0	0	114
886	K	28.9	Very low	41.9	Very low	184 Å²	184	126.8 Å²	126.8	80%	0.8	70%	0.698	S	S	*	*			trans	24.6	124.4	158.8	-67.8	-177.3	177.4	-178.8	0	122.5
887	I	29.8	Very low	43.5	Very low	164 Å²	164	125 Å²	125	84%	0.841	69%	0.689	S	S	*	*				46.1	130.5	118.2	-58.3	168.7	0	0	0	117.5
888	S	28.7	Very low	45.6	Very low	110 Å²	110	128.8 Å²	128.8	77%	0.769	69%	0.69	S	S	*	*			cis	-131.8	160.5	30.8	59.9	0	0	0	0	116.3
889	S	40.8	Very low	47.9	Very low	116 Å²	116	131.8 Å²	131.8	81%	0.811	69%	0.688	S	S	*	*			trans	-85.3	156.1	175.3	49.2	0	0	0	0	113.7
890	G	45.7	Very low	50.6	Low	73 Å²	73	128.9 Å²	128.9	75%	0.753	68%	0.675	S	S	*	*			trans	76.5	86.5	156.1	0	0	0	0	0	116.2
891	L	48.5	Very low	53	Low	116 Å²	116	123.9 Å²	123.9	61%	0.607	66%	0.658	S	S	*	*			trans	-109.1	133.6	158.9	-68.5	-179.3	0	0	0	108.8	E895	L891-E895 HydrophobicContact CB-CB 4.04Å; L891-E895 HydrophobicContact CD2-CB 4.13Å
892	S	69.8	Low	55.7	Low	49 Å²	49	118.7 Å²	118.7	34%	0.343	64%	0.639	S	S	.	*			trans	-63	161	173	61.8	0	0	0	0	111.9	T894 E895 T896	S892-T894 PolarHBondContact O-N 2.81Å; S892-T894 PolarHBondContact OG-OG1 3.4Å; S892-E895 WeakPolarHBondContact CB-OE2 3.4Å; S892-E895 PolarHBondContact N-OE2 2.91Å; S892-E895 PolarHBondContact O-N 3.31Å; S892-E895 WeakPolarHBondContact OG-CG 3.39Å; S892-E895 PolarHBondContact OG-N 3.43Å; S892-E895 PolarHBondContact OG-OE2 2.83Å; S892-T896 PolarHBondContact O-N 3.01Å; S892-T896 PolarHBondContact O-OG1 3.41Å
893	D	67.6	Low	58.6	Low	140 Å²	140	119.8 Å²	119.8	75%	0.749	63%	0.633	S	S	*	*	H	α-helix	trans	-55	-38.4	172.4	-74.7	-57.4	0	0	0	111.7	E895 T896 L897	D893-E895 VanDerWaalsContact C-N 3.34Å; D893-E895 PolarHBondContact O-N 2.83Å; D893-T896 WeakPolarHBondContact O-CB 3.42Å; D893-T896 PolarHBondContact O-N 2.73Å; D893-L897 WeakPolarHBondContact O-CB 3.44Å; D893-L897 PolarHBondContact O-N 2.83Å
894	T	71.6	Confident	61.5	Low	86 Å²	86	116.1 Å²	116.1	53%	0.528	62%	0.623	S	S	.	*	H	α-helix	trans	-57.7	-41.2	173.3	0.3	0	0	0	0	113.1	S892 L897 R898	S892-T894 PolarHBondContact O-N 2.81Å; S892-T894 PolarHBondContact OG-OG1 3.4Å; T894-L897 PolarHBondContact O-N 2.92Å; T894-R898 WeakPolarHBondContact O-CB 3.34Å; T894-R898 VanDerWaalsContact O-CG 3.27Å; T894-R898 WeakPolarHBondContact O-CG 3.35Å; T894-R898 PolarHBondContact O-N 2.54Å
895	E	72.9	Confident	64	Low	75 Å²	75	116.2 Å²	116.2	35%	0.35	62%	0.615	S	S	.	*	H	α-helix	trans	-75.6	-37.5	177.6	-72.4	162.7	115.3	0	0	112.1	L891 S892 D893 L897 R898 Y899	L891-E895 HydrophobicContact CB-CB 4.04Å; L891-E895 HydrophobicContact CD2-CB 4.13Å; S892-E895 WeakPolarHBondContact CB-OE2 3.4Å; S892-E895 PolarHBondContact N-OE2 2.91Å; S892-E895 PolarHBondContact O-N 3.31Å; S892-E895 WeakPolarHBondContact OG-CG 3.39Å; S892-E895 PolarHBondContact OG-N 3.43Å; S892-E895 PolarHBondContact OG-OE2 2.83Å; D893-E895 VanDerWaalsContact C-N 3.34Å; D893-E895 PolarHBondContact O-N 2.83Å; E895-L897 VanDerWaalsContact C-N 3.25Å; E895-L897 PolarHBondContact O-N 3.36Å; E895-R898 PolarHBondContact O-N 3.23Å; E895-Y899 WeakPolarHBondContact O-CB 3.29Å; E895-Y899 PolarHBondContact O-N 3.49Å
896	T	80.2	Confident	66.5	Low	47 Å²	47	117.3 Å²	117.3	29%	0.288	61%	0.605	S	S	.	*	H	α-helix	trans	-58.8	-39.7	169.9	-67.9	0	0	0	0	111	S892 D893 K900	S892-T896 PolarHBondContact O-N 3.01Å; S892-T896 PolarHBondContact O-OG1 3.41Å; D893-T896 WeakPolarHBondContact O-CB 3.42Å; D893-T896 PolarHBondContact O-N 2.73Å; T896-K900 HydrophobicContact CG2-CD 4.12Å; T896-K900 WeakPolarHBondContact O-CB 3.45Å; T896-K900 WeakPolarHBondContact O-CD 3.46Å; T896-K900 VanDerWaalsContact O-CG 3.22Å; T896-K900 WeakPolarHBondContact O-CG 3.13Å; T896-K900 PolarHBondContact O-N 2.76Å
897	L	69.9	Low	69.2	Low	105 Å²	105	111.2 Å²	111.2	55%	0.55	59%	0.589	S	S	.	*	H	α-helix	trans	-70.4	-44	176.3	-142.3	161.5	0	0	0	111.4	D893 T894 E895 Y899 K900 L901	D893-L897 WeakPolarHBondContact O-CB 3.44Å; D893-L897 PolarHBondContact O-N 2.83Å; T894-L897 PolarHBondContact O-N 2.92Å; E895-L897 VanDerWaalsContact C-N 3.25Å; E895-L897 PolarHBondContact O-N 3.36Å; L897-Y899 VanDerWaalsContact C-N 3.35Å; L897-Y899 PolarHBondContact O-N 2.94Å; L897-K900 PolarHBondContact O-N 2.77Å; L897-L901 HydrophobicContact CD2-CD1 3.9Å; L897-L901 WeakPolarHBondContact O-CB 3.45Å; L897-L901 PolarHBondContact O-N 3.07Å
898	R	75.6	Confident	71.8	Confident	169 Å²	169	111.1 Å²	111.1	64%	0.638	58%	0.582	S	S	*	*	H	α-helix	trans	-57.6	-42.8	171.6	-75.9	167.7	175.2	161.1	-1.2	112.1	T894 E895 L901 L902	T894-R898 WeakPolarHBondContact O-CB 3.34Å; T894-R898 VanDerWaalsContact O-CG 3.27Å; T894-R898 WeakPolarHBondContact O-CG 3.35Å; T894-R898 PolarHBondContact O-N 2.54Å; E895-R898 PolarHBondContact O-N 3.23Å; R898-L901 WeakPolarHBondContact O-CB 3.47Å; R898-L901 PolarHBondContact O-N 3.41Å; R898-L902 WeakPolarHBondContact O-CB 3.49Å; R898-L902 PolarHBondContact O-N 2.94Å
899	Y	81.4	Confident	74.6	Confident	154 Å²	154	113.7 Å²	113.7	60%	0.604	58%	0.579	S	S	*	*	H	α-helix	trans	-68.2	-42.4	178	-171.3	-101.6	0	0	0	112	E895 L897 L901 L902 K903	E895-Y899 WeakPolarHBondContact O-CB 3.29Å; E895-Y899 PolarHBondContact O-N 3.49Å; L897-Y899 VanDerWaalsContact C-N 3.35Å; L897-Y899 PolarHBondContact O-N 2.94Å; Y899-L901 VanDerWaalsContact C-N 3.33Å; Y899-L901 PolarHBondContact O-N 3.26Å; Y899-L902 PolarHBondContact O-N 3.13Å; Y899-K903 WeakPolarHBondContact O-CB 3.41Å; Y899-K903 PolarHBondContact O-N 3.34Å
900	K	86.6	Confident	76.8	Confident	135 Å²	135	116.2 Å²	116.2	59%	0.587	58%	0.576	S	S	*	*	H	α-helix	trans	-59.1	-42.6	171.8	-74.2	166.3	-178.7	172.6	0	111.5	T896 L897 K904	T896-K900 HydrophobicContact CG2-CD 4.12Å; T896-K900 WeakPolarHBondContact O-CB 3.45Å; T896-K900 WeakPolarHBondContact O-CD 3.46Å; T896-K900 VanDerWaalsContact O-CG 3.22Å; T896-K900 WeakPolarHBondContact O-CG 3.13Å; T896-K900 PolarHBondContact O-N 2.76Å; L897-K900 PolarHBondContact O-N 2.77Å; K900-K904 PolarHBondContact O-N 3.46Å; K900-K904 VanDerWaalsContact O-N 3.07Å
901	L	76.8	Confident	78.7	Confident	99 Å²	99	120.9 Å²	120.9	52%	0.518	58%	0.575	S	S	.	*	H	α-helix	trans	-62.2	-51.5	173.6	-98.1	161.3	0	0	0	112	L897 R898 Y899 K903 K904 L905	L897-L901 HydrophobicContact CD2-CD1 3.9Å; L897-L901 WeakPolarHBondContact O-CB 3.45Å; L897-L901 PolarHBondContact O-N 3.07Å; R898-L901 WeakPolarHBondContact O-CB 3.47Å; R898-L901 PolarHBondContact O-N 3.41Å; Y899-L901 VanDerWaalsContact C-N 3.33Å; Y899-L901 PolarHBondContact O-N 3.26Å; L901-K903 VanDerWaalsContact C-N 3.28Å; L901-K903 PolarHBondContact O-N 3.39Å; L901-K904 CarbonylContact O-C 3.51Å; L901-K904 PolarHBondContact O-N 3.47Å; L901-K904 VanDerWaalsContact O-N 3.1Å; L901-L905 PolarHBondContact O-N 2.91Å
902	L	85.4	Confident	80	Confident	83 Å²	83	120 Å²	120	44%	0.435	57%	0.571	S	S	.	*	H	α-helix	trans	-61	-36.3	179.6	-174.6	62.1	0	0	0	112	R898 Y899 L905 K906	R898-L902 WeakPolarHBondContact O-CB 3.49Å; R898-L902 PolarHBondContact O-N 2.94Å; Y899-L902 PolarHBondContact O-N 3.13Å; L902-L905 PolarHBondContact O-N 2.92Å; L902-K906 HydrophobicContact CG-CD 4.4Å; L902-K906 WeakPolarHBondContact O-CB 3.47Å; L902-K906 WeakPolarHBondContact O-CG 3.39Å; L902-K906 PolarHBondContact O-N 3.49Å
903	K	86.8	Confident	80.5	Confident	147 Å²	147	120.5 Å²	120.5	64%	0.639	58%	0.578	S	S	*	*	H	α-helix	trans	-65.1	-44.2	173.2	-168.2	173	-178.2	177.7	0	111.6	Y899 L901 A907	Y899-K903 WeakPolarHBondContact O-CB 3.41Å; Y899-K903 PolarHBondContact O-N 3.34Å; L901-K903 VanDerWaalsContact C-N 3.28Å; L901-K903 PolarHBondContact O-N 3.39Å; K903-A907 WeakPolarHBondContact O-CB 3.31Å; K903-A907 PolarHBondContact O-N 3.09Å
904	K	86.8	Confident	81	Confident	159 Å²	159	120.3 Å²	120.3	69%	0.691	57%	0.57	S	S	*	*	H	α-helix	trans	-63.3	-38.8	172.5	-76.2	-175.2	176	-177.3	0	112.4	K900 L901 A907 K908	K900-K904 PolarHBondContact O-N 3.46Å; K900-K904 VanDerWaalsContact O-N 3.07Å; L901-K904 CarbonylContact O-C 3.51Å; L901-K904 PolarHBondContact O-N 3.47Å; L901-K904 VanDerWaalsContact O-N 3.1Å; K904-A907 PolarHBondContact O-N 3.31Å; K904-K908 PolarHBondContact O-N 3.36Å
905	L	79.9	Confident	81	Confident	112 Å²	112	120.8 Å²	120.8	59%	0.586	57%	0.569	S	S	*	*	H	α-helix	trans	-67	-46.7	178.2	-119.2	166.6	0	0	0	111.9	L901 L902 A907 K908 K909	L901-L905 PolarHBondContact O-N 2.91Å; L902-L905 PolarHBondContact O-N 2.92Å; L905-A907 VanDerWaalsContact C-N 3.31Å; L905-A907 PolarHBondContact O-N 3.02Å; L905-K908 PolarHBondContact O-N 2.91Å; L905-K909 PolarHBondContact O-N 3.02Å
906	K	83	Confident	81	Confident	140 Å²	140	121.7 Å²	121.7	61%	0.609	58%	0.576	S	S	*	*	H	α-helix	trans	-60.6	-38.9	173.3	-73.4	177.9	178.5	-178	0	111.7	L902 K909 K910	L902-K906 HydrophobicContact CG-CD 4.4Å; L902-K906 WeakPolarHBondContact O-CB 3.47Å; L902-K906 WeakPolarHBondContact O-CG 3.39Å; L902-K906 PolarHBondContact O-N 3.49Å; K906-K909 PolarHBondContact O-N 2.85Å; K906-K910 PolarHBondContact O-N 3.39Å
907	A	85.3	Confident	80.7	Confident	56 Å²	56	126.1 Å²	126.1	46%	0.463	59%	0.594	S	S	.	*	H	α-helix	trans	-64.8	-44.6	174.1	0	0	0	0	0	112.7	K903 K904 L905 K910 K911	K903-A907 WeakPolarHBondContact O-CB 3.31Å; K903-A907 PolarHBondContact O-N 3.09Å; K904-A907 PolarHBondContact O-N 3.31Å; L905-A907 VanDerWaalsContact C-N 3.31Å; L905-A907 PolarHBondContact O-N 3.02Å; A907-K910 PolarHBondContact O-N 2.98Å; A907-K911 PolarHBondContact O-N 3.02Å
908	K	84.8	Confident	80.7	Confident	162 Å²	162	126.9 Å²	126.9	70%	0.704	60%	0.598	S	S	*	*	H	α-helix	trans	-62.1	-43.8	173.4	-80.9	-166	172.9	-170.3	0	111.9	K904 L905 K910 K911 L912	K904-K908 PolarHBondContact O-N 3.36Å; L905-K908 PolarHBondContact O-N 2.91Å; K908-K910 VanDerWaalsContact C-N 3.33Å; K908-K910 PolarHBondContact O-N 3.39Å; K908-K911 PolarHBondContact O-N 3.44Å; K908-L912 PolarHBondContact O-N 3.18Å
909	K	87.6	Confident	80	Confident	164 Å²	164	124.9 Å²	124.9	71%	0.713	60%	0.599	S	S	*	*	H	α-helix	trans	-61	-39.2	176	-170.6	169.8	-177.9	173	0	112.1	L905 K906 L912 A913	L905-K909 PolarHBondContact O-N 3.02Å; K906-K909 PolarHBondContact O-N 2.85Å; K909-L912 PolarHBondContact O-N 2.82Å; K909-A913 WeakPolarHBondContact O-CB 3.43Å; K909-A913 PolarHBondContact O-N 3.45Å
910	K	86.1	Confident	78.6	Confident	170 Å²	170	120.5 Å²	120.5	74%	0.739	60%	0.6	S	S	*	*	H	α-helix	trans	-68.7	-36.8	174.3	-169	171.2	-177.6	176.4	0	112.8	K906 A907 K908 K914	K906-K910 PolarHBondContact O-N 3.39Å; A907-K910 PolarHBondContact O-N 2.98Å; K908-K910 VanDerWaalsContact C-N 3.33Å; K908-K910 PolarHBondContact O-N 3.39Å; K910-K914 PolarHBondContact O-N 2.78Å; K910-K914 VanDerWaalsContact O-N 3.07Å
911	K	85.7	Confident	76.7	Confident	170 Å²	170	119.7 Å²	119.7	74%	0.739	61%	0.607	S	S	*	*	H	α-helix	trans	-64.6	-44.5	172.2	-76.5	-165.2	174	-165.5	0	111.9	A907 K908 K914 L915	A907-K911 PolarHBondContact O-N 3.02Å; K908-K911 PolarHBondContact O-N 3.44Å; K911-K914 PolarHBondContact O-N 3.02Å; K911-L915 PolarHBondContact O-N 3Å
912	L	75.9	Confident	74.9	Confident	99 Å²	99	118.7 Å²	118.7	52%	0.518	62%	0.62	S	S	.	*	H	α-helix	trans	-63.8	-42.1	176.7	-176.9	62	0	0	0	111.9	K908 K909 K914 L915 N916	K908-L912 PolarHBondContact O-N 3.18Å; K909-L912 PolarHBondContact O-N 2.82Å; L912-K914 VanDerWaalsContact C-N 3.32Å; L912-K914 PolarHBondContact O-N 2.98Å; L912-L915 WeakPolarHBondContact O-CB 3.37Å; L912-L915 PolarHBondContact O-N 3.19Å; L912-L915 VanDerWaalsContact O-N 3.13Å; L912-N916 PolarHBondContact O-N 3.29Å; L912-N916 PolarHBondContact O-OD1 3.34Å
913	A	80.5	Confident	72.6	Confident	58 Å²	58	118.1 Å²	118.1	48%	0.479	63%	0.634	S	S	.	*	H	α-helix	trans	-59.6	-41	173.5	0	0	0	0	0	112.2	K909 N916 Q917	K909-A913 WeakPolarHBondContact O-CB 3.43Å; K909-A913 PolarHBondContact O-N 3.45Å; A913-N916 PolarHBondContact O-N 3.07Å; A913-Q917 WeakPolarHBondContact O-CB 3.24Å; A913-Q917 PolarHBondContact O-N 3.46Å
914	K	78	Confident	70.2	Confident	137 Å²	137	114.7 Å²	114.7	60%	0.596	64%	0.641	S	S	*	*	H	α-helix	trans	-68.2	-32.8	174.8	-163.5	178.5	-177.6	-173.2	0	112.5	K910 K911 L912 Q917 L918	K910-K914 PolarHBondContact O-N 2.78Å; K910-K914 VanDerWaalsContact O-N 3.07Å; K911-K914 PolarHBondContact O-N 3.02Å; L912-K914 VanDerWaalsContact C-N 3.32Å; L912-K914 PolarHBondContact O-N 2.98Å; K914-Q917 PolarHBondContact O-N 3.23Å; K914-L918 WeakPolarHBondContact O-CG 3.06Å; K914-L918 PolarHBondContact O-N 3.08Å; K914-L918 VanDerWaalsContact O-N 3.08Å
915	L	72.7	Confident	67.5	Low	95 Å²	95	112 Å²	112	50%	0.497	65%	0.648	S	S	.	*	H	α-helix	trans	-66.4	-48.3	174.2	-164	78.8	0	0	0	111.1	K911 L912 Q917 L918 L919	K911-L915 PolarHBondContact O-N 3Å; L912-L915 WeakPolarHBondContact O-CB 3.37Å; L912-L915 PolarHBondContact O-N 3.19Å; L912-L915 VanDerWaalsContact O-N 3.13Å; L915-Q917 PolarHBondContact O-N 2.98Å; L915-L918 PolarHBondContact O-N 3.48Å; L915-L918 VanDerWaalsContact O-N 3.09Å; L915-L919 HydrophobicContact CG-CD1 4.29Å; L915-L919 WeakPolarHBondContact O-CG 3.46Å; L915-L919 PolarHBondContact O-N 2.59Å
916	N	72.7	Confident	65.3	Low	94 Å²	94	113.2 Å²	113.2	50%	0.503	65%	0.65	S	S	.	*	H	α-helix	trans	-63.8	-31.7	176.3	-67.1	16.3	0	0	0	111.8	L912 A913 L919 G920	L912-N916 PolarHBondContact O-N 3.29Å; L912-N916 PolarHBondContact O-OD1 3.34Å; A913-N916 PolarHBondContact O-N 3.07Å; N916-L919 PolarHBondContact O-N 2.81Å; N916-G920 PolarHBondContact O-N 2.79Å
917	Q	74	Confident	62.7	Low	141 Å²	141	114.8 Å²	114.8	66%	0.659	66%	0.658	S	S	*	*	H	α-helix	trans	-68.3	-33.8	173.1	-170.9	176.2	23.2	0	0	112.7	A913 K914 L915 T921	A913-Q917 WeakPolarHBondContact O-CB 3.24Å; A913-Q917 PolarHBondContact O-N 3.46Å; K914-Q917 PolarHBondContact O-N 3.23Å; L915-Q917 PolarHBondContact O-N 2.98Å; Q917-T921 PolarHBondContact O-OG1 3.09Å
918	L	68.9	Low	60	Low	121 Å²	121	121.8 Å²	121.8	63%	0.634	67%	0.672	S	S	*	*	H	α-helix	trans	-72.9	-38.4	173.8	-71.9	164.6	0	0	0	111.9	K914 L915 G920	K914-L918 WeakPolarHBondContact O-CG 3.06Å; K914-L918 PolarHBondContact O-N 3.08Å; K914-L918 VanDerWaalsContact O-N 3.08Å; L915-L918 PolarHBondContact O-N 3.48Å; L915-L918 VanDerWaalsContact O-N 3.09Å; L918-G920 VanDerWaalsContact C-N 3.31Å
919	L	62.1	Low	58.4	Low	127 Å²	127	119.4 Å²	119.4	67%	0.665	67%	0.673	S	S	*	*	H	α-helix	trans	-71.5	-24.7	175.7	-68	165.2	0	0	0	112.8	L915 N916 T921	L915-L919 HydrophobicContact CG-CD1 4.29Å; L915-L919 WeakPolarHBondContact O-CG 3.46Å; L915-L919 PolarHBondContact O-N 2.59Å; N916-L919 PolarHBondContact O-N 2.81Å; L919-T921 VanDerWaalsContact C-N 3.34Å; L919-T921 PolarHBondContact O-N 3.11Å
920	G	50.7	Low	55.3	Low	61 Å²	61	118.1 Å²	118.1	63%	0.629	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.1	-12.9	179.8	0	0	0	0	0	115.6	N916 L918	N916-G920 PolarHBondContact O-N 2.79Å; L918-G920 VanDerWaalsContact C-N 3.31Å
921	T	46.4	Very low	52.7	Low	119 Å²	119	114 Å²	114	73%	0.73	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	-13.6	-179.4	-29.6	0	0	0	0	113	Q917 L919 G923	Q917-T921 PolarHBondContact O-OG1 3.09Å; L919-T921 VanDerWaalsContact C-N 3.34Å; L919-T921 PolarHBondContact O-N 3.11Å; T921-G923 PolarHBondContact O-N 2.87Å
922	G	39.7	Very low	50.1	Low	77 Å²	77	112.1 Å²	112.1	79%	0.794	67%	0.67	S	S	*	*	S	Bend	trans	-91.2	65.4	175.2	0	0	0	0	0	112.1
923	G	36.4	Very low	47.8	Very low	71 Å²	71	113.7 Å²	113.7	73%	0.732	68%	0.679	S	S	*	*			trans	-136	126.9	-172.8	0	0	0	0	0	114.9	T921	T921-G923 PolarHBondContact O-N 2.87Å
924	G	36.3	Very low	45.3	Very low	75 Å²	75	117.7 Å²	117.7	77%	0.773	69%	0.691	S	S	*	*			trans	130.4	139.1	175.7	0	0	0	0	0	111.9
925	A	30.4	Very low	42.9	Very low	102 Å²	102	118.1 Å²	118.1	84%	0.843	70%	0.7	S	S	*	*			cis	-165	166.1	2.3	0	0	0	0	0	110.7
926	H	33.6	Very low	41	Very low	138 Å²	138	119 Å²	119	64%	0.639	71%	0.714	S	S	*	*			cis	-173.2	153.2	-35.7	-156.2	-56	0	0	0	108.6
927	F	28	Very low	39.5	Very low	173 Å²	173	119.9 Å²	119.9	76%	0.759	73%	0.725	S	S	*	*			trans	68.2	169	167.7	-54.1	-71.3	0	0	0	117.7
928	R	30	Very low	37.3	Very low	203 Å²	203	117.7 Å²	117.7	77%	0.766	73%	0.725	S	S	*	*			cis	-172.4	138.8	-44.6	179.7	178.5	173	-177.1	-2.7	107.3
929	P	49.9	Very low	35.4	Very low	113 Å²	113	117.7 Å²	117.7	73%	0.734	73%	0.73	S	S	*	*			trans	-90.8	151.8	-179.4	35.8	-35.8	0	0	0	114.2
930	D	23.8	Very low	33.7	Very low	137 Å²	137	117.9 Å²	117.9	73%	0.733	74%	0.736	S	S	*	*			trans	-172.9	159.4	151.5	-96	-44	0	0	0	108.3
931	S	31.6	Very low	32.5	Very low	84 Å²	84	119.3 Å²	119.3	59%	0.587	74%	0.737	S	S	*	*			cis	-177.6	160.5	-34.1	-95.1	0	0	0	0	108.6
932	T	30.6	Very low	31.7	Very low	130 Å²	130	118.9 Å²	118.9	80%	0.798	74%	0.739	S	S	*	*			trans	72.3	154.9	169.5	85.6	0	0	0	0	116.5
933	N	28.3	Very low	31.2	Very low	132 Å²	132	121.1 Å²	121.1	71%	0.706	74%	0.742	S	S	*	*			cis	-160.3	159.8	-8.3	-128.9	-16.2	0	0	0	114.9
934	L	27.3	Very low	30.9	Very low	141 Å²	141	123.4 Å²	123.4	74%	0.738	74%	0.742	S	S	*	*			trans	72.6	151.3	145.3	-73.4	170.4	0	0	0	124.4
935	N	27	Very low	30.5	Very low	147 Å²	147	130.2 Å²	130.2	79%	0.786	75%	0.746	S	S	*	*			trans	76.2	100.4	157.4	-65.1	-0.5	0	0	0	121.5
936	S	32.4	Very low	30.4	Very low	113 Å²	113	131.4 Å²	131.4	79%	0.79	74%	0.738	S	S	*	*			trans	-77.1	167.7	138.8	-40.8	0	0	0	0	110.1
937	P	41.6	Very low	30.2	Very low	113 Å²	113	127.7 Å²	127.7	73%	0.734	74%	0.737	S	S	*	*				-151.8	179	80.8	40.4	-20.6	0	0	0	116.2
938	S	29.2	Very low	30.4	Very low	94 Å²	94	130.8 Å²	130.8	66%	0.657	75%	0.746	S	S	*	*			trans	34.9	141.9	139.4	66.4	0	0	0	0	121.3
939	T	28.6	Very low	30.4	Very low	121 Å²	121	124.9 Å²	124.9	74%	0.742	74%	0.74	S	S	*	*			cis	-178.5	158.6	18.4	10	0	0	0	0	110.9
940	V	26.4	Very low	29.4	Very low	131 Å²	131	124.8 Å²	124.8	79%	0.794	74%	0.742	S	S	*	*			trans	37.4	138.3	133.2	178.1	0	0	0	0	119.4
941	S	25.8	Very low	29.7	Very low	92 Å²	92	123.9 Å²	123.9	64%	0.643	75%	0.746	S	S	*	*			cis	-149.9	151.9	19.5	-126.5	0	0	0	0	109.9
942	S	28.9	Very low	29.6	Very low	109 Å²	109	126.9 Å²	126.9	76%	0.762	76%	0.756	S	S	*	*				60.2	116.9	78.1	-30	0	0	0	0	117.1
943	S	28.7	Very low	29.5	Very low	125 Å²	125	127.6 Å²	127.6	87%	0.874	75%	0.754	S	S	*	*			trans	-153.2	149.2	146.9	59.8	0	0	0	0	111
944	T	30.6	Very low	29.6	Very low	119 Å²	119	128.6 Å²	128.6	73%	0.73	76%	0.759	S	S	*	*			trans	-115.7	152.4	-166.5	-40.6	0	0	0	0	111
945	Y	27.2	Very low	29.9	Very low	218 Å²	218	127.7 Å²	127.7	86%	0.855	76%	0.764	S	S	*	*			trans	-162.9	157.9	132.4	-130.8	-93	0	0	0	114.3
946	D	29.1	Very low	30.4	Very low	127 Å²	127	127 Å²	127	68%	0.679	77%	0.767	S	S	*	*			trans	-90.2	173.9	-175.3	-44.8	-87.5	0	0	0	112.9
947	G	28.6	Very low	30.1	Very low	60 Å²	60	126.1 Å²	126.1	62%	0.619	77%	0.768	S	S	*	*			cis	165.1	179.8	-1.6	0	0	0	0	0	112.4
948	Y	33.8	Very low	29.5	Very low	238 Å²	238	130 Å²	130	93%	0.933	78%	0.778	S	S	*	*			trans	67.2	146.7	177.1	-58.2	-90.2	0	0	0	117.4
949	A	30.1	Very low	29.5	Very low	79 Å²	79	132.4 Å²	132.4	65%	0.653	79%	0.789	S	S	*	*			cis	-167.4	165.6	-20.1	0	0	0	0	0	112.5
950	S	27.6	Very low	29.3	Very low	111 Å²	111	131.5 Å²	131.5	78%	0.776	79%	0.794	S	S	*	*			trans	91.3	127.2	152.2	-54.2	0	0	0	0	122.3
951	S	30.2	Very low	29.3	Very low	117 Å²	117	131.1 Å²	131.1	82%	0.818	80%	0.797	S	S	*	*			trans	89.2	124.6	146.4	-56.6	0	0	0	0	122.1
952	D	30.5	Very low	29.5	Very low	148 Å²	148	131.6 Å²	131.6	79%	0.791	80%	0.801	S	S	*	*			trans	-33	156.5	166.5	-67.4	-66.2	0	0	0	117.8
953	L	28.5	Very low	29.6	Very low	145 Å²	145	134.1 Å²	134.1	76%	0.759	80%	0.804	S	S	*	*				-160.8	145	62.3	-85	167.7	0	0	0	116.4
954	L	30.5	Very low	29.6	Very low	153 Å²	153	132.2 Å²	132.2	80%	0.801	79%	0.791	S	S	*	*			trans	62.8	113.2	145	-62.4	169.9	0	0	0	121.1
955	S	32.6	Very low	29.9	Very low	121 Å²	121	131.1 Å²	131.1	85%	0.846	79%	0.786	S	S	*	*			trans	-127.1	129.5	151.3	-67.9	0	0	0	0	109.7
956	P	37.6	Very low	30.1	Very low	132 Å²	132	124.3 Å²	124.3	86%	0.857	76%	0.764	S	S	*	*			trans	-86.5	130.5	172.3	32.6	-30.9	0	0	0	111.3
957	A	26.2	Very low	30.4	Very low	96 Å²	96	123.9 Å²	123.9	79%	0.793	77%	0.772	S	S	*	*			trans	-95.4	148.1	168.6	0	0	0	0	0	110.8
958	M	28.4	Very low	31.1	Very low	195 Å²	195	125.6 Å²	125.6	96%	0.961	77%	0.77	S	S	*	*			trans	-130.6	123.2	161.1	-76.9	-164.3	177.8	0	0	110.6
959	T	30	Very low	31.1	Very low	143 Å²	143	117.5 Å²	117.5	88%	0.877	76%	0.759	S	S	*	*			trans	-82.6	111.2	174.9	44.1	0	0	0	0	110.7	S961	T959-S961 PolarHBondContact O-N 3.47Å
960	A	24.4	Very low	31.1	Very low	103 Å²	103	121.2 Å²	121.2	85%	0.851	76%	0.761	S	S	*	*			trans	-87.5	102.8	168.8	0	0	0	0	0	110.5
961	S	26	Very low	31.5	Very low	123 Å²	123	120.8 Å²	120.8	86%	0.86	75%	0.749	S	S	*	*			trans	-83.2	117.4	169.5	54.6	0	0	0	0	110.2	T959	T959-S961 PolarHBondContact O-N 3.47Å
962	S	31.1	Very low	31.8	Very low	102 Å²	102	122.8 Å²	122.8	71%	0.713	75%	0.746	S	S	*	*			trans	-98.5	175	-176.8	56.6	0	0	0	0	113.5
963	L	30.9	Very low	31.8	Very low	161 Å²	161	123.4 Å²	123.4	84%	0.843	75%	0.746	S	S	*	*			trans	86.3	98.4	169.7	-49.7	-179.6	0	0	0	118.1
964	S	28.6	Very low	32.1	Very low	85 Å²	85	123.4 Å²	123.4	59%	0.594	75%	0.746	S	S	*	*				-145.5	147.2	129.7	-80.6	0	0	0	0	109.5
965	P	36.1	Very low	32.3	Very low	97 Å²	97	122.1 Å²	122.1	63%	0.63	74%	0.744	S	S	*	*			trans	-123.5	102.8	-170.4	36.2	-18.4	0	0	0	113.6
966	D	31.3	Very low	32.4	Very low	74 Å²	74	122.1 Å²	122.1	40%	0.396	74%	0.744	S	S	.	*			trans	-114.6	127.3	163	-82.7	16.6	0	0	0	108.6	N479 R488 T968	N479-D966 PolarHBondContact ND2-OD1 3.32Å; R488-D966 IonicContact CZ-OD1 3.84Å; R488-D966 IonicContact NH1-OD1 3.76Å; R488-D966 PolarHBondContact NH1-OD1 3.25Å; R488-D966 IonicContact NH1-OD2 3.43Å; R488-D966 PolarHBondContact NH1-OD2 3.3Å; D966-T968 PolarHBondContact O-N 3.35Å
967	S	34.6	Very low	31.8	Very low	119 Å²	119	119.3 Å²	119.3	83%	0.832	74%	0.739	S	S	*	*	S	Bend	trans	-86.8	97.7	-154.9	-56.3	0	0	0	0	115.7
968	T	44.8	Very low	32.1	Very low	96 Å²	96	123.2 Å²	123.2	59%	0.589	74%	0.741	S	S	*	*			trans	-133.1	5.7	155.4	44.2	0	0	0	0	115.2	K455 D966 F970	K455-T968 WeakPolarHBondContact CE-OG1 3.37Å; K455-T968 PolarHBondContact NZ-OG1 3.33Å; D966-T968 PolarHBondContact O-N 3.35Å; T968-F970 PolarHBondContact O-N 3Å; T968-F970 VanDerWaalsContact O-N 3.16Å
969	G	32.8	Very low	32	Very low	68 Å²	68	121.3 Å²	121.3	70%	0.701	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.7	63.3	-176.4	0	0	0	0	0	115.8
970	F	31.3	Very low	31.9	Very low	157 Å²	157	118.2 Å²	118.2	69%	0.689	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.4	-16.4	171.6	-164.3	-104	0	0	0	114.6	T968	T968-F970 PolarHBondContact O-N 3Å; T968-F970 VanDerWaalsContact O-N 3.16Å
971	L	34.7	Very low	32.1	Very low	102 Å²	102	117.3 Å²	117.3	53%	0.534	72%	0.724	S	S	.	*	S	Bend	trans	-93.6	-3	-176.7	-149.4	100.7	0	0	0	114.5	L420	L420-L971 HydrophobicContact CD2-CD1 4.04Å; L420-L971 HydrophobicContact CD2-CD2 4.49Å
972	E	37.7	Very low	32.2	Very low	158 Å²	158	119.2 Å²	119.2	74%	0.738	72%	0.724	S	S	*	*	S	Bend	trans	-111.4	-13.5	-169.8	-152.5	146.1	-113.2	0	0	113	L974	E972-L974 VanDerWaalsContact C-N 3.3Å; E972-L974 PolarHBondContact O-N 2.99Å
973	M	30.9	Very low	32.1	Very low	161 Å²	161	123.2 Å²	123.2	79%	0.793	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.8	29.3	-178.1	-163.9	164.7	56.2	0	0	112.8
974	L	33.2	Very low	31.9	Very low	145 Å²	145	123.7 Å²	123.7	76%	0.759	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.6	11	-176.9	-82	171.8	0	0	0	114	E972	E972-L974 VanDerWaalsContact C-N 3.3Å; E972-L974 PolarHBondContact O-N 2.99Å
975	V	34.4	Very low	31.7	Very low	126 Å²	126	126.9 Å²	126.9	76%	0.764	75%	0.745	S	S	*	*	S	Bend	trans	-133.2	26.3	-174.7	-155.3	0	0	0	0	112.5
976	S	34.5	Very low	31.3	Very low	121 Å²	121	128.5 Å²	128.5	85%	0.846	76%	0.757	S	S	*	*			trans	-140.9	105.1	179.4	-69	0	0	0	0	111.1
977	G	26.4	Very low	31	Very low	74 Å²	74	130.8 Å²	130.8	76%	0.763	77%	0.773	S	S	*	*			trans	120.8	116	-173.2	0	0	0	0	0	110.9
978	Q	31.3	Very low	30.7	Very low	177 Å²	177	131.8 Å²	131.8	83%	0.827	77%	0.774	S	S	*	*			cis	-157.1	147.2	-3	-165.6	166.8	-30.5	0	0	108.9
979	D	27.1	Very low	29.8	Very low	156 Å²	156	133 Å²	133	83%	0.834	79%	0.786	S	S	*	*			trans	162.5	136.6	130.3	-83.5	-13.9	0	0	0	112.2
980	G	27.4	Very low	29.4	Very low	77 Å²	77	133.4 Å²	133.4	79%	0.794	79%	0.791	S	S	*	*			trans	-163.4	99.7	173	0	0	0	0	0	110.3
981	A	28.1	Very low	29.2	Very low	84 Å²	84	131.2 Å²	131.2	69%	0.694	80%	0.802	S	S	*	*			trans	-178.7	97.6	157	0	0	0	0	0	110.6
982	N	28.8	Very low	28.7	Very low	164 Å²	164	129.6 Å²	129.6	88%	0.877	81%	0.81	S	S	*	*				175.3	149.8	104	-84.7	-35.2	0	0	0	111.6
983	Q	29.5	Very low	28.1	Very low	185 Å²	185	127 Å²	127	86%	0.864	82%	0.815	S	S	*	*			trans	-87	153.1	172.6	-64	170	-15.2	0	0	110.3
984	L	26	Very low	27.9	Very low	171 Å²	171	126 Å²	126	90%	0.895	82%	0.818	S	S	*	*				-172.8	130.6	119.7	-102	163.2	0	0	0	110.5
985	D	25.9	Very low	27.5	Very low	153 Å²	153	125.3 Å²	125.3	82%	0.818	82%	0.819	S	S	*	*			trans	-75.5	148.9	166.8	-71.5	-67	0	0	0	110.9
986	C	26.4	Very low	27.8	Very low	131 Å²	131	124.7 Å²	124.7	89%	0.885	82%	0.818	S	S	*	*				-163.6	163.6	115.3	-128.3	0	0	0	0	113.3
987	V	25.6	Very low	27.4	Very low	121 Å²	121	126.1 Å²	126.1	73%	0.733	82%	0.822	S	S	*	*			trans	-114	150.3	-173.8	176.2	0	0	0	0	109.5
988	V	27.1	Very low	27.3	Very low	141 Å²	141	129.2 Å²	129.2	86%	0.855	82%	0.821	S	S	*	*			trans	174.1	142.6	132.6	149.3	0	0	0	0	112.5
989	S	26.2	Very low	27	Very low	120 Å²	120	126.7 Å²	126.7	84%	0.839	82%	0.821	S	S	*	*			trans	-83.5	163.1	-179.5	-39.7	0	0	0	0	113.9
990	G	25.2	Very low	26.9	Very low	78 Å²	78	127.3 Å²	127.3	80%	0.804	82%	0.819	S	S	*	*			trans	-164.6	125	168.1	0	0	0	0	0	114.5
991	A	26.2	Very low	26.9	Very low	111 Å²	111	129.2 Å²	129.2	92%	0.917	82%	0.816	S	S	*	*			trans	-58.2	166.9	-179.2	0	0	0	0	0	115.6
992	G	25.6	Very low	26.8	Very low	68 Å²	68	131.7 Å²	131.7	70%	0.701	82%	0.822	S	S	*	*			cis	151.5	-177.2	-3.4	0	0	0	0	0	113.2
993	A	25.1	Very low	26.8	Very low	102 Å²	102	132.1 Å²	132.1	84%	0.843	82%	0.819	S	S	*	*			trans	61.2	122.3	171.6	0	0	0	0	0	119.7
994	V	25.7	Very low	26.6	Very low	142 Å²	142	130.5 Å²	130.5	86%	0.861	81%	0.811	S	S	*	*				-177.4	145.3	112.4	149.3	0	0	0	0	109.5
995	T	25.7	Very low	26.9	Very low	129 Å²	129	130.4 Å²	130.4	79%	0.791	81%	0.806	S	S	*	*			trans	-138.3	176.1	176.5	52	0	0	0	0	108.9
996	P	40.8	Very low	26.9	Very low	114 Å²	114	126.6 Å²	126.6	74%	0.74	80%	0.803	S	S	*	*			cis	-123.6	174.3	-37.1	36.1	-23	0	0	0	111.6
997	T	25.4	Very low	27.3	Very low	151 Å²	151	129.9 Å²	129.9	93%	0.926	81%	0.805	S	S	*	*			trans	-140.8	147.2	157.1	-41.4	0	0	0	0	111.2
998	N	25.4	Very low	27.4	Very low	139 Å²	139	131.9 Å²	131.9	74%	0.743	81%	0.811	S	S	*	*			trans	-106.6	145.9	-172.9	177.5	23.1	0	0	0	111.2
999	C	23.6	Very low	27.8	Very low	123 Å²	123	134.8 Å²	134.8	83%	0.831	81%	0.813	S	S	*	*			trans	-174.8	146.8	139.6	-104	0	0	0	0	113
1000	Q	25.2	Very low	28.2	Very low	170 Å²	170	136.6 Å²	136.6	79%	0.794	81%	0.812	S	S	*	*			trans	-83.6	169.1	162.8	-62.7	169.3	-9.3	0	0	108.3
1001	T	26.8	Very low	28.6	Very low	116 Å²	116	141.9 Å²	141.9	71%	0.712	82%	0.816	S	S	*	*				-178.8	144.3	73.4	-27.5	0	0	0	0	111.5
1002	T	26.7	Very low	29	Very low	136 Å²	136	145.8 Å²	145.8	83%	0.834	82%	0.815	S	S	*	*			trans	53.1	156.2	147.8	43.4	0	0	0	0	124.5
1003	Q	28.9	Very low	29.4	Very low	173 Å²	173	151 Å²	151	81%	0.808	82%	0.819	S	S	*	*			trans	-81.4	150.5	-178.6	-54.8	156.6	-28.8	0	0	113.4
1004	H	25.5	Very low	29.8	Very low	151 Å²	151	153.9 Å²	153.9	70%	0.699	82%	0.815	S	S	*	*				-167.7	171.8	102.5	-124.8	-100.2	0	0	0	113.4
1005	E	31.5	Very low	30.1	Very low	170 Å²	170	156.9 Å²	156.9	79%	0.794	82%	0.817	S	S	*	*			trans	-43.9	149.2	-169.6	-62.3	151.6	122.3	0	0	119
1006	G	25.9	Very low	30.4	Very low	72 Å²	72	160.3 Å²	160.3	74%	0.742	82%	0.821	S	S	*	*			trans	-173.9	83	165.1	0	0	0	0	0	113.3	N1008	G1006-N1008 PolarHBondContact O-N 3.44Å; G1006-N1008 VanDerWaalsContact O-N 3.17Å
1007	H	35	Very low	30.1	Very low	200 Å²	200	158.6 Å²	158.6	93%	0.926	81%	0.812	S	S	*	*			trans	-63.1	115.3	173	-83.1	-70.3	0	0	0	111
1008	N	28.9	Very low	30.4	Very low	163 Å²	163	160 Å²	160	87%	0.872	81%	0.807	S	S	*	*			trans	-140.7	151.9	165.6	-107.5	-42.5	0	0	0	111.6	G1006	G1006-N1008 PolarHBondContact O-N 3.44Å; G1006-N1008 VanDerWaalsContact O-N 3.17Å
1009	F	33.8	Very low	30.8	Very low	203 Å²	203	162.9 Å²	162.9	89%	0.89	81%	0.814	S	S	*	*	S	Bend	trans	-107	76.2	-159.1	-177	-95.3	0	0	0	111.1
1010	L	35.6	Very low	31.4	Very low	157 Å²	157	165.3 Å²	165.3	82%	0.822	82%	0.817	S	S	*	*			trans	-162.8	51.7	179.9	-124	169.5	0	0	0	115.9
1011	E	32.8	Very low	31.7	Very low	190 Å²	190	166.2 Å²	166.2	89%	0.888	84%	0.843	S	S	*	*			trans	-133.3	32.9	178.1	-149.2	170.4	-127.8	0	0	114.1
1012	E	35.2	Very low	32	Very low	193 Å²	193	168.8 Å²	168.8	90%	0.902	85%	0.849	S	S	*	*	S	Bend	trans	-114	29.1	172.2	-154.5	-179.6	-169.5	0	0	111.8
1013	F	33.5	Very low	32.3	Very low	177 Å²	177	170.5 Å²	170.5	78%	0.776	85%	0.85	S	S	*	*	S	Bend	trans	-136.6	-8.9	-174.8	-119.5	-90.3	0	0	0	116.9
1014	E	34.2	Very low	32.5	Very low	162 Å²	162	170.3 Å²	170.3	76%	0.757	85%	0.852	S	S	*	*	S	Bend	trans	-100.8	2.9	-179	-66.8	-153.2	133.4	0	0	115.2	F1016 S1017	E1014-F1016 VanDerWaalsContact C-N 3.29Å; E1014-F1016 PolarHBondContact O-N 3.17Å; E1014-S1017 PolarHBondContact O-OG 3.34Å
1015	F	32.3	Very low	32.9	Very low	206 Å²	206	171.5 Å²	171.5	90%	0.904	86%	0.861	S	S	*	*	S	Bend	trans	-88.1	11.6	173.3	-135.1	-90.4	0	0	0	114.3
1016	F	32.3	Very low	33	Very low	201 Å²	201	171.6 Å²	171.6	88%	0.882	87%	0.866	S	S	*	*	S	Bend	trans	-123.7	-1.2	-177.8	-107.6	-79.4	0	0	0	115.1	E1014	E1014-F1016 VanDerWaalsContact C-N 3.29Å; E1014-F1016 PolarHBondContact O-N 3.17Å
1017	S	32.9	Very low	33.4	Very low	78 Å²	78	178.2 Å²	178.2	55%	0.545	87%	0.874	S	S	.	*	S	Bend	trans	-87.9	-15.6	179.4	46.5	0	0	0	0	114.1	E1014	E1014-S1017 PolarHBondContact O-OG 3.34Å
1018	H	32.4	Very low	33.3	Very low	180 Å²	180	176.6 Å²	176.6	83%	0.833	87%	0.87	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.2	21.5	-169	-123.5	-60.1	0	0	0	115.9
1019	F	34.2	Very low	33.7	Very low	200 Å²	200	177.7 Å²	177.7	88%	0.877	87%	0.87	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.3	11.1	175.3	-135.4	-90.4	0	0	0	114.2
1020	L	36.8	Very low	33.7	Very low	173 Å²	173	175.6 Å²	175.6	91%	0.906	87%	0.868	S	S	*	*			trans	-143.7	68.6	172.6	-76.3	179.5	0	0	0	111.1
1021	S	31.6	Very low	33.5	Very low	190 Å²	190	177.3 Å²	177.3	100%	1.329	87%	0.873	S	S	*	*			trans	-154.6	0	155.6	-174.5	0	0	0	0	110.1

Retrieved 1,021 of 1,021 residues in 615.1 ms (Link to these results)

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