A0A087Y1C2_POEFO Loading...

Mannosyl-oligosaccharide glucosidase

Cleaves the distal alpha 1,2-linked glucose residue from the Glc(3)Man(9)GlcNAc(2) oligosaccharide precursor. In the context of N-glycan degradation, cleaves the distal alpha 1,2-linked glucose residue from the Glc(3)Man(9)GlcNAc(2) oligosaccharide precursor in a highly specific manner.

AlphaFold DB , UniProt , Accession A0A087Y1C2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 845 aa.

						>A0A087Y1C2_POEFO|A0A087Y1C2
MGRQRKRVVTGDAPPYSRRDERPSALNRKEKKKKTDFGKLFINISIGLCIFSLIWFFYAVYMRSSLSKRVVTLHPSPRVLDANSTTAKVSSERFWGSYRPQVYFGMKTRSPRSVVTGMMWMRQFSNSDMNLRHTCEQGDRLQGYGWLMHDGLTFGVQEIRDNDFTLTTEFVKRVGGDHGGDWTWRITAKQHSSAPQPPVISLMFYAAADTQGSLQTHMEEKNRLASITGFSEELGNFKITFRKPVTGELSSTKYASYNYLQTLSPGLEKLTDIVKLSLNRRFVFSPPSGEKRHYIGVDTYKPPHHQNQQKAADPRKESDFVVHQVTVQTPFQIEVLFESGSFYNRPNQLVGSIMTQELERRKAEFNAKFEKIFGLESKGFSQTHIKFAKAALSNMLGGMGYFYGESVVQSVYNEYPLLYPGGTLFTAVPSRSFFPRGFLWDEGFHQLLLSKWDPQLTREAIGHWFDLMNIEGWIPREQILGDEARSKVPAEFIVQRNENANPPTLFLALQELIEQLSSKSDEAATKPTLPFLRRLFPRLKTWFEWYNTTQTGPKPNSYRWRGRDKDTNLYLNPKTLTSGLDDYPRASHPSADERHVDLHCWMALSSGIMASIAQLLGEPHQDYKVLHDVLRDNNLLNDLHWSEQHRAFSDYGNHTQNVSLQREKVYVPPGQPRHQFPVARLVRSVRRAPKLQYVNALGYVSLFPFLLQILQPDSPKLEHILRDMRDPTKLWTPFGLRSLSKTDPLYMERNTEHDPPYWRGPVWININYLAVRALYHYGNTEGPYQEKAADLYKELRTNIINNVYAQFVETGYIWEQYNDGTGRGQGSHPFTGWSSLTVLMMAEHY
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.5	Very low	33.7	Very low	247 Å²	247	160.9 Å²	160.9	100%	1.217	82%	0.817	S	S	*	*				0	97.4	0	-68	176.6	-178.2	0	0	106.5
2	G	33.7	Very low	33.5	Very low	77 Å²	77	160.9 Å²	160.9	79%	0.794	82%	0.82	S	S	*	*				72.6	125.4	95.3	0	0	0	0	0	110
3	R	33	Very low	33.3	Very low	236 Å²	236	155.8 Å²	155.8	89%	0.891	82%	0.817	S	S	*	*			cis	-161.3	137.6	19.9	-86.8	167.6	160.4	168	-5.6	105.8
4	Q	33.1	Very low	35.2	Very low	163 Å²	163	152.9 Å²	152.9	76%	0.762	81%	0.812	S	S	*	*				58.6	112.5	89.2	-121.9	-169.9	29	0	0	114.9
5	R	36.4	Very low	36.1	Very low	202 Å²	202	150.6 Å²	150.6	76%	0.762	81%	0.809	S	S	*	*				152.9	154.9	109.2	-85.3	178.2	172.3	179.1	-3	107.1
6	K	34	Very low	35.8	Very low	180 Å²	180	154.9 Å²	154.9	78%	0.783	81%	0.812	S	S	*	*			cis	-161.6	154.3	4.6	-123.5	174.3	-179.6	-172.2	0	108.1
7	R	31.2	Very low	35.6	Very low	233 Å²	233	152.9 Å²	152.9	88%	0.879	81%	0.814	S	S	*	*			trans	-83.4	171.8	175.9	-155.5	-179.9	-165.6	177.1	2.7	110.9
8	V	35.6	Very low	35.5	Very low	121 Å²	121	157.7 Å²	157.7	73%	0.733	82%	0.819	S	S	*	*			trans	145.8	105.6	141.8	162.9	0	0	0	0	108.8
9	V	36.1	Very low	35.4	Very low	115 Å²	115	160.9 Å²	160.9	70%	0.697	82%	0.82	S	S	*	*				84.2	138.3	83.9	148.5	0	0	0	0	108.9
10	T	31.8	Very low	35.2	Very low	133 Å²	133	159.7 Å²	159.7	82%	0.816	82%	0.815	S	S	*	*			cis	-172.9	171.5	9.3	25.3	0	0	0	0	103.9
11	G	30.2	Very low	35.1	Very low	63 Å²	63	159 Å²	159	65%	0.649	81%	0.808	S	S	*	*			cis	173.4	156.2	19.6	0	0	0	0	0	109
12	D	31.3	Very low	35	Very low	161 Å²	161	157.4 Å²	157.4	86%	0.861	79%	0.789	S	S	*	*			trans	44	113.8	139.7	-58.5	-19.9	0	0	0	124
13	A	30.8	Very low	35.7	Very low	94 Å²	94	159.5 Å²	159.5	78%	0.777	79%	0.788	S	S	*	*				83.1	149.8	114.5	0	0	0	0	0	121.9
14	P	60.5	Low	35.6	Very low	116 Å²	116	154.3 Å²	154.3	75%	0.753	79%	0.788	S	S	*	*			trans	-107	-175	-152	42.7	-31.6	0	0	0	113.5
15	P	48.3	Very low	36	Very low	118 Å²	118	150.8 Å²	150.8	77%	0.766	79%	0.787	S	S	*	*				-156.6	170.7	96.2	37.2	-15.5	0	0	0	118.4
16	Y	30.6	Very low	36	Very low	219 Å²	219	149.4 Å²	149.4	86%	0.859	79%	0.794	S	S	*	*			trans	-21.4	145.2	161.8	-74	-99.9	0	0	0	121.3
17	S	32.6	Very low	36.3	Very low	121 Å²	121	148.4 Å²	148.4	85%	0.846	80%	0.797	S	S	*	*				168.4	156.3	101	59.9	0	0	0	0	114.2
18	R	33.5	Very low	36.7	Very low	240 Å²	240	149 Å²	149	91%	0.906	80%	0.8	S	S	*	*			trans	-86.7	156	-171.9	-73.3	170.2	162.8	165.6	-7.4	113.8
19	R	33.9	Very low	36.9	Very low	219 Å²	219	153.1 Å²	153.1	83%	0.826	81%	0.808	S	S	*	*				160.7	125.6	121.9	-89.2	-172.6	174	157	-0.9	111.8
20	D	32.6	Very low	37.1	Very low	135 Å²	135	156.5 Å²	156.5	72%	0.722	82%	0.816	S	S	*	*				67	137.8	111.5	-57.6	-25.8	0	0	0	114.2
21	E	32.9	Very low	37.6	Very low	145 Å²	145	160.1 Å²	160.1	68%	0.678	82%	0.82	S	S	*	*			cis	-168.7	139.7	-2.9	-110.2	-164	132.2	0	0	108.1
22	R	31.8	Very low	38.3	Very low	215 Å²	215	166.5 Å²	166.5	81%	0.811	83%	0.83	S	S	*	*			trans	66.4	167	143.6	-65.9	-170.8	-169.1	-155.5	-0.2	121.3
23	P	48.3	Very low	39.2	Very low	120 Å²	120	168.7 Å²	168.7	78%	0.779	83%	0.832	S	S	*	*				-130.6	158.8	-92.7	29.3	-5.1	0	0	0	114.5
24	S	31	Very low	40.3	Very low	127 Å²	127	173.7 Å²	173.7	89%	0.888	84%	0.836	S	S	*	*			trans	-174	150.6	145.6	57.8	0	0	0	0	111.7
25	A	43.1	Very low	40.2	Very low	90 Å²	90	173.3 Å²	173.3	74%	0.744	83%	0.832	S	S	*	*			trans	-66.1	145.4	-167.2	0	0	0	0	0	114.4
26	L	36.2	Very low	41.1	Very low	172 Å²	172	171.8 Å²	171.8	90%	0.901	82%	0.817	S	S	*	*			trans	-170.5	131.8	137.3	-100.4	148.1	0	0	0	111.6
27	N	40.6	Very low	42.7	Very low	160 Å²	160	168 Å²	168	86%	0.856	81%	0.805	S	S	*	*			trans	-37.3	128.2	179.3	-79	-49.2	0	0	0	116.7
28	R	38.7	Very low	44.4	Very low	246 Å²	246	164 Å²	164	93%	0.928	78%	0.784	S	S	*	*			trans	-137.8	111.1	149	-149.5	174.5	-175.9	179.2	1.2	109.5	E30	R28-E30 PolarHBondContact O-N 3.38Å; R28-E30 VanDerWaalsContact O-N 3.09Å
29	K	40.7	Very low	46.1	Very low	207 Å²	207	159 Å²	159	90%	0.9	77%	0.769	S	S	*	*			trans	-57.7	107.6	177.8	-75.8	176	174.4	174	0	110.7
30	E	39.5	Very low	48.1	Very low	186 Å²	186	152.6 Å²	152.6	87%	0.869	75%	0.75	S	S	*	*			trans	-75.3	117.1	158.8	-83.9	-172.3	151.6	0	0	109.5	R28 K32	R28-E30 PolarHBondContact O-N 3.38Å; R28-E30 VanDerWaalsContact O-N 3.09Å; E30-K32 PolarHBondContact O-N 2.83Å
31	K	41.9	Very low	50.4	Low	209 Å²	209	152.6 Å²	152.6	91%	0.909	74%	0.744	S	S	*	*			trans	-66.2	99.3	164.9	-85.6	179.2	173.6	175.9	0	108.4	K33	K31-K33 PolarHBondContact O-N 3.32Å; K31-K33 VanDerWaalsContact O-N 3.12Å
32	K	45.2	Very low	52.8	Low	196 Å²	196	150.5 Å²	150.5	85%	0.852	74%	0.737	S	S	*	*			trans	-57.8	112.2	159.6	-82.3	-178	174.6	178.1	0	108.4	E30 K34	E30-K32 PolarHBondContact O-N 2.83Å; K32-K34 PolarHBondContact O-N 3.28Å
33	K	51.6	Low	55.3	Low	207 Å²	207	145.2 Å²	145.2	90%	0.9	73%	0.725	S	S	*	*			trans	-59.7	99.9	161.7	-98.3	179.2	173.8	176.2	0	106.9	K31 T35	K31-K33 PolarHBondContact O-N 3.32Å; K31-K33 VanDerWaalsContact O-N 3.12Å; K33-T35 PolarHBondContact O-N 3.22Å
34	K	52.3	Low	57.1	Low	200 Å²	200	143.6 Å²	143.6	87%	0.87	71%	0.708	S	S	*	*			trans	-64	113.9	165.1	-87	-176.9	172.4	-178.2	0	107	K32 D36	K32-K34 PolarHBondContact O-N 3.28Å; K34-D36 PolarHBondContact O-N 2.88Å
35	T	59.2	Low	59.8	Low	108 Å²	108	140.5 Å²	140.5	66%	0.663	69%	0.687	S	S	*	*			trans	-61.6	117.9	167.8	-30.2	0	0	0	0	107.3	K33 F37	K33-T35 PolarHBondContact O-N 3.22Å; T35-F37 VanDerWaalsContact O-CD2 3.32Å; T35-F37 WeakPolarHBondContact O-CD2 3.41Å; T35-F37 PolarHBondContact O-N 3.07Å
36	D	66.2	Low	62	Low	86 Å²	86	140.3 Å²	140.3	46%	0.46	67%	0.672	S	S	.	*			trans	-78.2	85.8	-174.1	-166.9	-7.3	0	0	0	109.1	K34 G38 K39 L40	K34-D36 PolarHBondContact O-N 2.88Å; D36-G38 PolarHBondContact O-N 3.21Å; D36-G38 VanDerWaalsContact O-N 3.13Å; D36-K39 HydrophobicContact CB-CB 4.31Å; D36-K39 HydrophobicContact CB-CD 4.21Å; D36-K39 HydrophobicContact CB-CG 4.33Å; D36-K39 PolarHBondContact O-N 3.42Å; D36-K39 VanDerWaalsContact OD2-CD 3.23Å; D36-K39 WeakPolarHBondContact OD2-CD 3.46Å; D36-K39 WeakPolarHBondContact OD2-CE 3.48Å; D36-K39 WeakPolarHBondContact OD2-CG 3.45Å; D36-K39 IonicContact OD2-NZ 2.72Å; D36-L40 PolarHBondContact O-N 2.97Å
37	F	65	Low	64.6	Low	138 Å²	138	133.8 Å²	133.8	61%	0.605	65%	0.647	S	S	*	*	H	α-helix	trans	-54.6	-30.1	-177.3	-76.2	-84.1	0	0	0	112.4	T35 L40 F41	T35-F37 VanDerWaalsContact O-CD2 3.32Å; T35-F37 WeakPolarHBondContact O-CD2 3.41Å; T35-F37 PolarHBondContact O-N 3.07Å; F37-L40 WeakPolarHBondContact O-CB 3.44Å; F37-L40 PolarHBondContact O-N 3.48Å; F37-F41 WeakPolarHBondContact O-CD2 3.44Å; F37-F41 PolarHBondContact O-N 3.42Å
38	G	68.8	Low	67.1	Low	39 Å²	39	131.5 Å²	131.5	40%	0.402	63%	0.634	S	S	.	*	H	α-helix	trans	-63.4	-43.1	175.1	0	0	0	0	0	113	D36 L40 F41 I42	D36-G38 PolarHBondContact O-N 3.21Å; D36-G38 VanDerWaalsContact O-N 3.13Å; G38-L40 VanDerWaalsContact C-N 3.32Å; G38-L40 PolarHBondContact O-N 2.73Å; G38-F41 PolarHBondContact O-N 2.98Å; G38-I42 WeakPolarHBondContact O-CB 3.47Å; G38-I42 WeakPolarHBondContact O-CD1 3.24Å; G38-I42 VanDerWaalsContact O-CG1 3.25Å; G38-I42 WeakPolarHBondContact O-CG1 3.33Å; G38-I42 PolarHBondContact O-N 3.38Å
39	K	69.7	Low	69.7	Low	133 Å²	133	123.9 Å²	123.9	58%	0.578	62%	0.617	S	S	*	*	H	α-helix	trans	-66.6	-34.4	173.9	-71.8	-179.4	-176	168.5	0	112.3	D36 N43	D36-K39 HydrophobicContact CB-CB 4.31Å; D36-K39 HydrophobicContact CB-CD 4.21Å; D36-K39 HydrophobicContact CB-CG 4.33Å; D36-K39 PolarHBondContact O-N 3.42Å; D36-K39 VanDerWaalsContact OD2-CD 3.23Å; D36-K39 WeakPolarHBondContact OD2-CD 3.46Å; D36-K39 WeakPolarHBondContact OD2-CE 3.48Å; D36-K39 WeakPolarHBondContact OD2-CG 3.45Å; D36-K39 IonicContact OD2-NZ 2.72Å; K39-N43 VanDerWaalsContact O-CB 3.3Å; K39-N43 WeakPolarHBondContact O-CB 3.4Å; K39-N43 PolarHBondContact O-N 3.49Å; K39-N43 PolarHBondContact O-ND2 3.26Å
40	L	75.3	Confident	72.3	Confident	85 Å²	85	118.3 Å²	118.3	45%	0.445	60%	0.597	S	S	.	*	H	α-helix	trans	-65.4	-46.4	175.6	-173.8	64.7	0	0	0	111.4	D36 F37 G38 N43 I44	D36-L40 PolarHBondContact O-N 2.97Å; F37-L40 WeakPolarHBondContact O-CB 3.44Å; F37-L40 PolarHBondContact O-N 3.48Å; G38-L40 VanDerWaalsContact C-N 3.32Å; G38-L40 PolarHBondContact O-N 2.73Å; L40-N43 PolarHBondContact O-N 2.85Å; L40-I44 HydrophobicContact CD1-CD1 4.38Å; L40-I44 HydrophobicContact CG-CD1 4.02Å; L40-I44 WeakPolarHBondContact O-CB 3.46Å; L40-I44 VanDerWaalsContact O-CG1 3.24Å; L40-I44 WeakPolarHBondContact O-CG1 3.43Å; L40-I44 PolarHBondContact O-N 3.49Å
41	F	80.8	Confident	74.9	Confident	136 Å²	136	115.9 Å²	115.9	60%	0.596	58%	0.583	S	S	*	*	H	α-helix	trans	-65.1	-38.7	176.3	-83.2	-71.5	0	0	0	113.1	F37 G38 I44 S45	F37-F41 WeakPolarHBondContact O-CD2 3.44Å; F37-F41 PolarHBondContact O-N 3.42Å; G38-F41 PolarHBondContact O-N 2.98Å; F41-I44 PolarHBondContact O-N 3.01Å; F41-S45 WeakPolarHBondContact O-CB 3.26Å; F41-S45 PolarHBondContact O-N 2.97Å; F41-S45 PolarHBondContact O-OG 3.4Å
42	I	82.6	Confident	77.4	Confident	101 Å²	101	109.4 Å²	109.4	52%	0.518	57%	0.565	S	S	.	*	H	α-helix	trans	-63.9	-45.8	174.4	-69.6	165.8	0	0	0	110.4	G38 I44 S45 I46	G38-I42 WeakPolarHBondContact O-CB 3.47Å; G38-I42 WeakPolarHBondContact O-CD1 3.24Å; G38-I42 VanDerWaalsContact O-CG1 3.25Å; G38-I42 WeakPolarHBondContact O-CG1 3.33Å; G38-I42 PolarHBondContact O-N 3.38Å; I42-I44 PolarHBondContact O-N 3.49Å; I42-S45 PolarHBondContact O-N 3.3Å; I42-I46 HydrophobicContact CG2-CD1 3.68Å; I42-I46 HydrophobicContact CG2-CG1 4.34Å; I42-I46 WeakPolarHBondContact O-CB 3.42Å; I42-I46 VanDerWaalsContact O-CG1 3.27Å; I42-I46 WeakPolarHBondContact O-CG1 3.23Å; I42-I46 PolarHBondContact O-N 2.94Å
43	N	83.8	Confident	79.8	Confident	104 Å²	104	104.8 Å²	104.8	56%	0.556	55%	0.549	S	S	*	.	H	α-helix	trans	-65	-38.1	178.1	-71.1	-15.8	0	0	0	112.5	K39 L40 G47	K39-N43 VanDerWaalsContact O-CB 3.3Å; K39-N43 WeakPolarHBondContact O-CB 3.4Å; K39-N43 PolarHBondContact O-N 3.49Å; K39-N43 PolarHBondContact O-ND2 3.26Å; L40-N43 PolarHBondContact O-N 2.85Å; N43-G47 PolarHBondContact O-N 3.48Å
44	I	87.5	Confident	81.9	Confident	85 Å²	85	99.9 Å²	99.9	44%	0.436	53%	0.531	S	S	.	.	H	α-helix	trans	-64.3	-44.3	173.1	-69.7	166.3	0	0	0	110.4	L40 F41 I42 G47 L48	L40-I44 HydrophobicContact CD1-CD1 4.38Å; L40-I44 HydrophobicContact CG-CD1 4.02Å; L40-I44 WeakPolarHBondContact O-CB 3.46Å; L40-I44 VanDerWaalsContact O-CG1 3.24Å; L40-I44 WeakPolarHBondContact O-CG1 3.43Å; L40-I44 PolarHBondContact O-N 3.49Å; F41-I44 PolarHBondContact O-N 3.01Å; I42-I44 PolarHBondContact O-N 3.49Å; I44-G47 PolarHBondContact O-N 3.25Å; I44-L48 HydrophobicContact CG2-CD1 4.06Å; I44-L48 HydrophobicContact CG2-CG 4.44Å; I44-L48 WeakPolarHBondContact O-CG 3.4Å; I44-L48 PolarHBondContact O-N 3.49Å
45	S	86.5	Confident	83.9	Confident	62 Å²	62	97.9 Å²	97.9	43%	0.434	52%	0.518	S	S	.	.	H	α-helix	trans	-64.8	-42.6	179	-57.6	0	0	0	0	111.8	F41 I42 G47 L48 C49	F41-S45 WeakPolarHBondContact O-CB 3.26Å; F41-S45 PolarHBondContact O-N 2.97Å; F41-S45 PolarHBondContact O-OG 3.4Å; I42-S45 PolarHBondContact O-N 3.3Å; S45-G47 VanDerWaalsContact C-N 3.34Å; S45-L48 PolarHBondContact O-N 2.98Å; S45-C49 WeakPolarHBondContact O-CB 3.28Å; S45-C49 PolarHBondContact O-N 2.92Å; S45-C49 PolarHBondContact O-SG 3.05Å
46	I	90.8	Very high	85.6	Confident	86 Å²	86	98.8 Å²	98.8	44%	0.441	51%	0.513	S	S	.	.	H	α-helix	trans	-61	-44.4	172.8	-69.1	167.4	0	0	0	110.1	I42 L48 C49 I50	I42-I46 HydrophobicContact CG2-CD1 3.68Å; I42-I46 HydrophobicContact CG2-CG1 4.34Å; I42-I46 WeakPolarHBondContact O-CB 3.42Å; I42-I46 VanDerWaalsContact O-CG1 3.27Å; I42-I46 WeakPolarHBondContact O-CG1 3.23Å; I42-I46 PolarHBondContact O-N 2.94Å; I46-L48 PolarHBondContact O-N 3.33Å; I46-C49 PolarHBondContact O-N 3.46Å; I46-I50 HydrophobicContact CG2-CD1 3.72Å; I46-I50 HydrophobicContact CG2-CG1 4.35Å; I46-I50 WeakPolarHBondContact O-CB 3.42Å; I46-I50 VanDerWaalsContact O-CG1 3.28Å; I46-I50 WeakPolarHBondContact O-CG1 3.36Å; I46-I50 PolarHBondContact O-N 3.5Å
47	G	89.5	Confident	87	Confident	36 Å²	36	100.6 Å²	100.6	37%	0.371	52%	0.517	S	S	.	.	H	α-helix	trans	-59.3	-44.6	176.1	0	0	0	0	0	112.9	N43 I44 S45 I50 F51	N43-G47 PolarHBondContact O-N 3.48Å; I44-G47 PolarHBondContact O-N 3.25Å; S45-G47 VanDerWaalsContact C-N 3.34Å; G47-I50 PolarHBondContact O-N 3.07Å; G47-F51 WeakPolarHBondContact O-CB 3.47Å; G47-F51 PolarHBondContact O-N 3.11Å
48	L	93.3	Very high	88.4	Confident	111 Å²	111	99.8 Å²	99.8	58%	0.581	51%	0.511	S	S	*	.	H	α-helix	trans	-66.4	-39.5	175.7	-71.5	172.8	0	0	0	112.2	I44 S45 I46 F51 S52	I44-L48 HydrophobicContact CG2-CD1 4.06Å; I44-L48 HydrophobicContact CG2-CG 4.44Å; I44-L48 WeakPolarHBondContact O-CG 3.4Å; I44-L48 PolarHBondContact O-N 3.49Å; S45-L48 PolarHBondContact O-N 2.98Å; I46-L48 PolarHBondContact O-N 3.33Å; L48-F51 PolarHBondContact O-N 3.07Å; L48-S52 VanDerWaalsContact O-CB 3.25Å; L48-S52 WeakPolarHBondContact O-CB 3.33Å; L48-S52 PolarHBondContact O-N 2.81Å
49	C	93.7	Very high	89.4	Confident	86 Å²	86	99.9 Å²	99.9	58%	0.581	51%	0.508	S	S	*	.	H	α-helix	trans	-63.4	-44.6	174.3	-75	0	0	0	0	111.7	S45 I46 S52 L53	S45-C49 WeakPolarHBondContact O-CB 3.28Å; S45-C49 PolarHBondContact O-N 2.92Å; S45-C49 PolarHBondContact O-SG 3.05Å; I46-C49 PolarHBondContact O-N 3.46Å; C49-S52 PolarHBondContact O-N 3.34Å; C49-L53 VanDerWaalsContact O-CB 3.29Å; C49-L53 WeakPolarHBondContact O-CB 3.3Å; C49-L53 PolarHBondContact O-N 2.76Å
50	I	94.4	Very high	90.3	Very high	91 Å²	91	97.1 Å²	97.1	47%	0.467	50%	0.502	S	S	.	.	H	α-helix	trans	-62.5	-46	175.7	-69	168	0	0	0	110.1	I46 G47 S52 L53 I54	I46-I50 HydrophobicContact CG2-CD1 3.72Å; I46-I50 HydrophobicContact CG2-CG1 4.35Å; I46-I50 WeakPolarHBondContact O-CB 3.42Å; I46-I50 VanDerWaalsContact O-CG1 3.28Å; I46-I50 WeakPolarHBondContact O-CG1 3.36Å; I46-I50 PolarHBondContact O-N 3.5Å; G47-I50 PolarHBondContact O-N 3.07Å; I50-S52 PolarHBondContact O-N 3.42Å; I50-L53 PolarHBondContact O-N 3.49Å; I50-I54 HydrophobicContact CG2-CD1 3.68Å; I50-I54 HydrophobicContact CG2-CG1 4.32Å; I50-I54 WeakPolarHBondContact O-CB 3.45Å; I50-I54 VanDerWaalsContact O-CG1 3.27Å; I50-I54 WeakPolarHBondContact O-CG1 3.25Å; I50-I54 PolarHBondContact O-N 2.92Å
51	F	95.6	Very high	91.1	Very high	134 Å²	134	100.2 Å²	100.2	59%	0.588	51%	0.509	S	S	*	.	H	α-helix	trans	-61.2	-45.1	177.2	-179.1	-96.2	0	0	0	112	G47 L48 L53 I54 W55	G47-F51 WeakPolarHBondContact O-CB 3.47Å; G47-F51 PolarHBondContact O-N 3.11Å; L48-F51 PolarHBondContact O-N 3.07Å; F51-L53 VanDerWaalsContact C-N 3.32Å; F51-L53 PolarHBondContact O-N 2.99Å; F51-I54 PolarHBondContact O-N 3.17Å; F51-W55 WeakPolarHBondContact O-CB 3.37Å; F51-W55 PolarHBondContact O-N 2.89Å
52	S	93.3	Very high	91.6	Very high	74 Å²	74	96.9 Å²	96.9	52%	0.517	50%	0.496	S	S	.	.	H	α-helix	trans	-61.1	-40.2	175.9	-176.2	0	0	0	0	111.8	L48 C49 I50 F56	L48-S52 VanDerWaalsContact O-CB 3.25Å; L48-S52 WeakPolarHBondContact O-CB 3.33Å; L48-S52 PolarHBondContact O-N 2.81Å; C49-S52 PolarHBondContact O-N 3.34Å; I50-S52 PolarHBondContact O-N 3.42Å; S52-F56 VanDerWaalsContact O-CB 3.27Å; S52-F56 WeakPolarHBondContact O-CB 3.31Å; S52-F56 PolarHBondContact O-N 3.33Å
53	L	95.9	Very high	91.9	Very high	99 Å²	99	100 Å²	100	52%	0.518	50%	0.501	S	S	.	.	H	α-helix	trans	-67.1	-45.2	176.8	-164.2	105.2	0	0	0	111.5	C49 I50 F51 F56 F57	C49-L53 VanDerWaalsContact O-CB 3.29Å; C49-L53 WeakPolarHBondContact O-CB 3.3Å; C49-L53 PolarHBondContact O-N 2.76Å; I50-L53 PolarHBondContact O-N 3.49Å; F51-L53 VanDerWaalsContact C-N 3.32Å; F51-L53 PolarHBondContact O-N 2.99Å; L53-F56 PolarHBondContact O-N 2.59Å; L53-F57 HydrophobicContact CD1-CE2 4.18Å; L53-F57 HydrophobicContact CD2-CD2 4.05Å; L53-F57 HydrophobicContact CD2-CE2 3.67Å; L53-F57 HydrophobicContact CG-CD2 3.9Å; L53-F57 HydrophobicContact CG-CE2 3.61Å; L53-F57 WeakPolarHBondContact O-CD2 3.41Å; L53-F57 PolarHBondContact O-N 2.67Å
54	I	95.7	Very high	92.1	Very high	103 Å²	103	97.4 Å²	97.4	53%	0.528	49%	0.491	S	S	.	.	H	α-helix	trans	-60.2	-47.1	174.9	-69.7	168.1	0	0	0	110.1	I50 F51 F56 F57 Y58	I50-I54 HydrophobicContact CG2-CD1 3.68Å; I50-I54 HydrophobicContact CG2-CG1 4.32Å; I50-I54 WeakPolarHBondContact O-CB 3.45Å; I50-I54 VanDerWaalsContact O-CG1 3.27Å; I50-I54 WeakPolarHBondContact O-CG1 3.25Å; I50-I54 PolarHBondContact O-N 2.92Å; F51-I54 PolarHBondContact O-N 3.17Å; I54-F56 VanDerWaalsContact C-N 3.35Å; I54-F56 PolarHBondContact O-N 2.93Å; I54-F57 PolarHBondContact O-N 2.84Å; I54-Y58 VanDerWaalsContact O-CB 3.26Å; I54-Y58 WeakPolarHBondContact O-CB 3.33Å; I54-Y58 PolarHBondContact O-N 2.8Å
55	W	95.1	Very high	92.2	Very high	159 Å²	159	95.5 Å²	95.5	60%	0.602	49%	0.485	S	S	*	.	H	α-helix	trans	-61.3	-42.7	177	178.5	-98.2	0	0	0	111.8	F51 Y58 A59	F51-W55 WeakPolarHBondContact O-CB 3.37Å; F51-W55 PolarHBondContact O-N 2.89Å; W55-Y58 HydrophobicContact CE3-CD1 4.41Å; W55-Y58 HydrophobicContact CZ3-CD1 4.39Å; W55-Y58 PolarHBondContact O-N 3.17Å; W55-A59 VanDerWaalsContact O-CB 3.28Å; W55-A59 WeakPolarHBondContact O-CB 3.36Å; W55-A59 PolarHBondContact O-N 2.96Å
56	F	94.8	Very high	92.4	Very high	126 Å²	126	94.7 Å²	94.7	55%	0.553	48%	0.476	S	S	*	.	H	α-helix	trans	-60.2	-50.7	176.2	175.5	-98.6	0	0	0	111.7	S52 L53 I54 Y58 A59 V60	S52-F56 VanDerWaalsContact O-CB 3.27Å; S52-F56 WeakPolarHBondContact O-CB 3.31Å; S52-F56 PolarHBondContact O-N 3.33Å; L53-F56 PolarHBondContact O-N 2.59Å; I54-F56 VanDerWaalsContact C-N 3.35Å; I54-F56 PolarHBondContact O-N 2.93Å; F56-Y58 VanDerWaalsContact C-N 3.33Å; F56-Y58 PolarHBondContact O-N 3.27Å; F56-A59 PolarHBondContact O-N 2.96Å; F56-V60 HydrophobicContact CD1-CG2 4.45Å; F56-V60 HydrophobicContact CE1-CG2 4.08Å; F56-V60 HydrophobicContact CE2-CG2 4.15Å; F56-V60 HydrophobicContact CZ-CG2 3.92Å; F56-V60 VanDerWaalsContact O-CG2 3.32Å; F56-V60 WeakPolarHBondContact O-CG2 3.4Å; F56-V60 PolarHBondContact O-N 2.86Å
57	F	94.8	Very high	92.3	Very high	124 Å²	124	91.7 Å²	91.7	54%	0.544	46%	0.463	S	S	.	.	H	α-helix	trans	-63.8	-38.2	177.2	-77.3	-63.8	0	0	0	112.4	L53 I54 V60 Y61	L53-F57 HydrophobicContact CD1-CE2 4.18Å; L53-F57 HydrophobicContact CD2-CD2 4.05Å; L53-F57 HydrophobicContact CD2-CE2 3.67Å; L53-F57 HydrophobicContact CG-CD2 3.9Å; L53-F57 HydrophobicContact CG-CE2 3.61Å; L53-F57 WeakPolarHBondContact O-CD2 3.41Å; L53-F57 PolarHBondContact O-N 2.67Å; I54-F57 PolarHBondContact O-N 2.84Å; F57-V60 PolarHBondContact O-N 3.48Å; F57-Y61 VanDerWaalsContact O-CB 3.27Å; F57-Y61 WeakPolarHBondContact O-CB 3.32Å; F57-Y61 PolarHBondContact O-N 3.39Å
58	Y	93.9	Very high	92.4	Very high	122 Å²	122	95.8 Å²	95.8	48%	0.478	47%	0.47	S	S	.	.	H	α-helix	trans	-63	-45.6	173.6	178	-104	0	0	0	111.7	I54 W55 F56 V60 Y61 M62	I54-Y58 VanDerWaalsContact O-CB 3.26Å; I54-Y58 WeakPolarHBondContact O-CB 3.33Å; I54-Y58 PolarHBondContact O-N 2.8Å; W55-Y58 HydrophobicContact CE3-CD1 4.41Å; W55-Y58 HydrophobicContact CZ3-CD1 4.39Å; W55-Y58 PolarHBondContact O-N 3.17Å; F56-Y58 VanDerWaalsContact C-N 3.33Å; F56-Y58 PolarHBondContact O-N 3.27Å; Y58-V60 PolarHBondContact O-N 2.98Å; Y58-Y61 PolarHBondContact O-N 3.22Å; Y58-M62 HydrophobicContact CD1-CG 4.12Å; Y58-M62 HydrophobicContact CD2-CG 4.19Å; Y58-M62 HydrophobicContact CE1-CG 3.7Å; Y58-M62 HydrophobicContact CE2-CG 3.78Å; Y58-M62 HydrophobicContact CE2-SD 3.98Å; Y58-M62 HydrophobicContact CG-CG 4.36Å; Y58-M62 WeakPolarHBondContact O-CB 3.31Å; Y58-M62 VanDerWaalsContact O-CG 3.27Å; Y58-M62 WeakPolarHBondContact O-CG 3.34Å; Y58-M62 PolarHBondContact O-N 3.07Å
59	A	90.3	Very high	92.5	Very high	41 Å²	41	94.8 Å²	94.8	34%	0.339	46%	0.459	S	S	.	.	H	α-helix	trans	-63.7	-41.3	177.9	0	0	0	0	0	112.1	W55 F56 M62 R63	W55-A59 VanDerWaalsContact O-CB 3.28Å; W55-A59 WeakPolarHBondContact O-CB 3.36Å; W55-A59 PolarHBondContact O-N 2.96Å; F56-A59 PolarHBondContact O-N 2.96Å; A59-M62 PolarHBondContact O-N 2.82Å; A59-R63 WeakPolarHBondContact O-CB 3.36Å; A59-R63 PolarHBondContact O-N 3.11Å
60	V	89.6	Confident	92.6	Very high	74 Å²	74	90.8 Å²	90.8	45%	0.448	43%	0.431	S	S	.	.	H	α-helix	trans	-63.8	-45.3	174.1	171.2	0	0	0	0	110.8	F56 F57 Y58 R63 S64	F56-V60 HydrophobicContact CD1-CG2 4.45Å; F56-V60 HydrophobicContact CE1-CG2 4.08Å; F56-V60 HydrophobicContact CE2-CG2 4.15Å; F56-V60 HydrophobicContact CZ-CG2 3.92Å; F56-V60 VanDerWaalsContact O-CG2 3.32Å; F56-V60 WeakPolarHBondContact O-CG2 3.4Å; F56-V60 PolarHBondContact O-N 2.86Å; F57-V60 PolarHBondContact O-N 3.48Å; Y58-V60 PolarHBondContact O-N 2.98Å; V60-R63 PolarHBondContact O-N 2.97Å; V60-S64 VanDerWaalsContact O-CB 3.31Å; V60-S64 WeakPolarHBondContact O-CB 3.37Å; V60-S64 PolarHBondContact O-N 2.98Å
61	Y	91.8	Very high	92.7	Very high	151 Å²	151	87.9 Å²	87.9	59%	0.592	42%	0.418	S	S	*	.	H	α-helix	trans	-60.4	-46.9	175.2	172.8	-97.4	0	0	0	111.6	F57 Y58 R63 S64 S65	F57-Y61 VanDerWaalsContact O-CB 3.27Å; F57-Y61 WeakPolarHBondContact O-CB 3.32Å; F57-Y61 PolarHBondContact O-N 3.39Å; Y58-Y61 PolarHBondContact O-N 3.22Å; Y61-R63 PolarHBondContact O-N 3.02Å; Y61-S64 PolarHBondContact O-N 2.67Å; Y61-S65 VanDerWaalsContact O-CB 3.32Å; Y61-S65 WeakPolarHBondContact O-CB 3.19Å; Y61-S65 PolarHBondContact O-N 3.1Å
62	M	91.1	Very high	92.7	Very high	65 Å²	65	84.3 Å²	84.3	32%	0.32	41%	0.407	S	S	.	.	H	α-helix	trans	-62.7	-43.8	178.4	-74.4	-56.6	-65.2	0	0	111.7	Y58 A59 S64 S65 L66	Y58-M62 HydrophobicContact CD1-CG 4.12Å; Y58-M62 HydrophobicContact CD2-CG 4.19Å; Y58-M62 HydrophobicContact CE1-CG 3.7Å; Y58-M62 HydrophobicContact CE2-CG 3.78Å; Y58-M62 HydrophobicContact CE2-SD 3.98Å; Y58-M62 HydrophobicContact CG-CG 4.36Å; Y58-M62 WeakPolarHBondContact O-CB 3.31Å; Y58-M62 VanDerWaalsContact O-CG 3.27Å; Y58-M62 WeakPolarHBondContact O-CG 3.34Å; Y58-M62 PolarHBondContact O-N 3.07Å; A59-M62 PolarHBondContact O-N 2.82Å; M62-S64 VanDerWaalsContact C-N 3.35Å; M62-S64 PolarHBondContact O-N 2.69Å; M62-S65 PolarHBondContact O-N 3.08Å; M62-L66 WeakPolarHBondContact O-CB 3.25Å; M62-L66 WeakPolarHBondContact O-CG 3.44Å; M62-L66 PolarHBondContact O-N 2.72Å
63	R	87.7	Confident	92.9	Very high	167 Å²	167	84.2 Å²	84.2	63%	0.63	40%	0.401	S	S	*	.	H	α-helix	trans	-61.8	-42.9	175.1	-173.7	175	179.7	179.1	-1.3	111.7	A59 V60 Y61 S67	A59-R63 WeakPolarHBondContact O-CB 3.36Å; A59-R63 PolarHBondContact O-N 3.11Å; V60-R63 PolarHBondContact O-N 2.97Å; Y61-R63 PolarHBondContact O-N 3.02Å; R63-S67 VanDerWaalsContact O-CB 3.23Å; R63-S67 WeakPolarHBondContact O-CB 3.3Å; R63-S67 PolarHBondContact O-N 3.49Å; R63-S67 PolarHBondContact O-OG 3.07Å
64	S	88.1	Confident	92.9	Very high	49 Å²	49	80.2 Å²	80.2	34%	0.343	38%	0.379	S	S	.	.	H	α-helix	trans	-66.1	-37.3	176.2	-175.3	0	0	0	0	112.7	V60 Y61 M62 S67 K68	V60-S64 VanDerWaalsContact O-CB 3.31Å; V60-S64 WeakPolarHBondContact O-CB 3.37Å; V60-S64 PolarHBondContact O-N 2.98Å; Y61-S64 PolarHBondContact O-N 2.67Å; M62-S64 VanDerWaalsContact C-N 3.35Å; M62-S64 PolarHBondContact O-N 2.69Å; S64-S67 PolarHBondContact O-OG 3.24Å; S64-K68 VanDerWaalsContact O-CG 3.31Å; S64-K68 WeakPolarHBondContact O-CG 3.35Å; S64-K68 PolarHBondContact O-N 3.16Å
65	S	90.5	Very high	93	Very high	45 Å²	45	80.1 Å²	80.1	32%	0.315	39%	0.386	S	S	.	.	H	α-helix	trans	-67.2	-50.7	176.1	-176.7	0	0	0	0	110.8	Y61 M62 S67 K68 R69	Y61-S65 VanDerWaalsContact O-CB 3.32Å; Y61-S65 WeakPolarHBondContact O-CB 3.19Å; Y61-S65 PolarHBondContact O-N 3.1Å; M62-S65 PolarHBondContact O-N 3.08Å; S65-S67 VanDerWaalsContact C-N 3.34Å; S65-S67 PolarHBondContact O-N 3.15Å; S65-K68 PolarHBondContact O-N 3.34Å; S65-R69 WeakPolarHBondContact O-CG 3.39Å; S65-R69 PolarHBondContact O-N 3.24Å
66	L	90.8	Very high	93	Very high	46 Å²	46	73.9 Å²	73.9	24%	0.241	37%	0.366	C	S	.	.	H	α-helix	trans	-60.9	-40.7	178.2	-70.4	168.2	0	0	0	112.2	M62 K68 R69 Y412	M62-L66 WeakPolarHBondContact O-CB 3.25Å; M62-L66 WeakPolarHBondContact O-CG 3.44Å; M62-L66 PolarHBondContact O-N 2.72Å; L66-K68 PolarHBondContact O-N 3.34Å; L66-R69 PolarHBondContact O-N 3.3Å; L66-Y412 HydrophobicContact CB-CD1 4.09Å; L66-Y412 HydrophobicContact CB-CD2 3.74Å; L66-Y412 HydrophobicContact CB-CE1 4.27Å; L66-Y412 HydrophobicContact CB-CE2 3.92Å; L66-Y412 HydrophobicContact CB-CG 3.81Å; L66-Y412 HydrophobicContact CD1-CD1 4.22Å; L66-Y412 HydrophobicContact CD1-CE1 3.73Å; L66-Y412 HydrophobicContact CD1-CE2 4.36Å; L66-Y412 HydrophobicContact CD2-CE2 4.18Å; L66-Y412 HydrophobicContact CG-CE2 4.38Å
67	S	88.6	Confident	93.1	Very high	23 Å²	23	73.2 Å²	73.2	16%	0.161	37%	0.374	C	S	.	.	H	α-helix	trans	-67.6	-21.2	179.6	75	0	0	0	0	114	R63 S64 S65 N413	R63-S67 VanDerWaalsContact O-CB 3.23Å; R63-S67 WeakPolarHBondContact O-CB 3.3Å; R63-S67 PolarHBondContact O-N 3.49Å; R63-S67 PolarHBondContact O-OG 3.07Å; S64-S67 PolarHBondContact O-OG 3.24Å; S65-S67 VanDerWaalsContact C-N 3.34Å; S65-S67 PolarHBondContact O-N 3.15Å; S67-N413 WeakPolarHBondContact CB-ND2 3.27Å; S67-N413 PolarHBondContact O-ND2 3.39Å; S67-N413 VanDerWaalsContact O-ND2 3.07Å; S67-N413 PolarHBondContact O-OD1 3Å
68	K	92.6	Very high	93.1	Very high	122 Å²	122	72.3 Å²	72.3	53%	0.53	37%	0.367	S	S	.	.	H	α-helix	trans	-87.6	-24.6	175.7	-72	174.1	-175.8	-179.1	0	113.1	S64 S65 L66 V70 V71 T72	S64-K68 VanDerWaalsContact O-CG 3.31Å; S64-K68 WeakPolarHBondContact O-CG 3.35Å; S64-K68 PolarHBondContact O-N 3.16Å; S65-K68 PolarHBondContact O-N 3.34Å; L66-K68 PolarHBondContact O-N 3.34Å; K68-V70 PolarHBondContact O-N 2.73Å; K68-V71 CarbonylContact O-C 3.59Å; K68-V71 VanDerWaalsContact O-CG2 3.25Å; K68-V71 WeakPolarHBondContact O-CG2 3.32Å; K68-V71 PolarHBondContact O-N 2.91Å; K68-T72 PolarHBondContact O-N 2.9Å; K68-T72 VanDerWaalsContact O-N 3.13Å; K68-T72 PolarHBondContact O-OG1 3.15Å
69	R	94.9	Very high	93.3	Very high	90 Å²	90	66.6 Å²	66.6	34%	0.34	35%	0.345	S	S	.	.	H	α-helix	trans	-55.5	-39.2	-176.6	-67.9	178.6	70.3	91.4	4	112.5	S65 L66 V71 T72 I470 E471	S65-R69 WeakPolarHBondContact O-CG 3.39Å; S65-R69 PolarHBondContact O-N 3.24Å; L66-R69 PolarHBondContact O-N 3.3Å; R69-V71 PolarHBondContact O-N 3.37Å; R69-V71 VanDerWaalsContact O-N 3.16Å; R69-T72 PolarHBondContact O-N 3.11Å; R69-T72 VanDerWaalsContact O-N 3.13Å; R69-I470 HydrophobicContact CB-CG2 3.89Å; R69-I470 HydrophobicContact CG-CG2 4.2Å; R69-I470 WeakPolarHBondContact O-CG2 3.33Å; R69-E471 HydrophobicContact CB-CG 4.03Å; R69-E471 WeakPolarHBondContact CB-OE1 3.35Å; R69-E471 IonicContact NE-OE1 3.55Å; R69-E471 PolarHBondContact NE-OE1 2.89Å
70	V	95.1	Very high	93.6	Very high	1 Å²	1	65.4 Å²	65.4	1%	0.006	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-22.6	-179.4	69.1	0	0	0	0	113.8	K68 V408 N413 L417 Y419 W473 N497	K68-V70 PolarHBondContact O-N 2.73Å; V70-V408 HydrophobicContact CG1-CG2 4.47Å; V70-V408 HydrophobicContact CG2-CB 4.22Å; V70-V408 HydrophobicContact CG2-CG2 4Å; V70-N413 WeakPolarHBondContact CG1-OD1 3.49Å; V70-L417 HydrophobicContact CG1-CD1 4.3Å; V70-Y419 WeakPolarHBondContact O-CD2 3.27Å; V70-Y419 WeakPolarHBondContact O-CE2 3.28Å; V70-W473 HydrophobicContact CG2-CZ3 4.28Å; V70-N497 HydrophobicContact CG2-CB 3.77Å
71	V	95.8	Very high	93.8	Very high	30 Å²	30	65.8 Å²	65.8	18%	0.182	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.2	7.7	177.4	-66.5	0	0	0	0	113	K68 R69 V408 L417 L418 Y419 P420	K68-V71 CarbonylContact O-C 3.59Å; K68-V71 VanDerWaalsContact O-CG2 3.25Å; K68-V71 WeakPolarHBondContact O-CG2 3.32Å; K68-V71 PolarHBondContact O-N 2.91Å; R69-V71 PolarHBondContact O-N 3.37Å; R69-V71 VanDerWaalsContact O-N 3.16Å; V71-V408 HydrophobicContact CG1-CG2 3.62Å; V71-L417 HydrophobicContact CG1-CB 3.82Å; V71-L417 HydrophobicContact CG1-CD1 3.99Å; V71-L417 HydrophobicContact CG2-CD1 4.3Å; V71-L418 WeakPolarHBondContact CG1-O 3.43Å; V71-Y419 HydrophobicContact CG1-CD2 4.42Å; V71-P420 WeakPolarHBondContact O-CD 3.34Å; V71-P420 WeakPolarHBondContact O-CG 3.46Å
72	T	96.6	Very high	93.8	Very high	60 Å²	60	62.7 Å²	62.7	37%	0.368	34%	0.338	S	S	.	.	S	Bend	trans	-95.2	120.9	176.1	-62.9	0	0	0	0	108.8	K68 R69 N469 I470	K68-T72 PolarHBondContact O-N 2.9Å; K68-T72 VanDerWaalsContact O-N 3.13Å; K68-T72 PolarHBondContact O-OG1 3.15Å; R69-T72 PolarHBondContact O-N 3.11Å; R69-T72 VanDerWaalsContact O-N 3.13Å; T72-N469 CarbonylContact O-C 3.48Å; T72-N469 VanDerWaalsContact O-CA 3.29Å; T72-N469 WeakPolarHBondContact O-CA 3.45Å; T72-N469 WeakPolarHBondContact O-CB 3.38Å; T72-I470 HydrophobicContact CG2-CB 4.13Å; T72-I470 HydrophobicContact CG2-CD1 4.04Å; T72-I470 HydrophobicContact CG2-CG2 4.25Å; T72-I470 PolarHBondContact O-N 3.3Å
73	L	96.5	Very high	93.9	Very high	72 Å²	72	63.3 Å²	63.3	38%	0.377	34%	0.343	S	S	.	.	B	Isolated β-bridge	trans	-64.5	154	176.3	-66	176.7	0	0	0	111.9	Y419 P420	L73-Y419 HydrophobicContact CD2-CE1 3.57Å; L73-P420 HydrophobicContact CD1-CB 4.21Å; L73-P420 HydrophobicContact CG-CB 4.24Å; L73-P420 HydrophobicContact CG-CG 4.21Å
74	H	97.4	Very high	94.2	Very high	14 Å²	14	56.4 Å²	56.4	7%	0.065	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-60.2	134.6	177	-167.3	-94.2	0	0	0	112	S76 M468 R538 T541	H74-S76 PolarHBondContact CE1-OG 3.03Å; H74-S76 WeakPolarHBondContact ND1-CB 3.37Å; H74-S76 PolarHBondContact ND1-N 3.4Å; H74-S76 PolarHBondContact ND1-OG 3.24Å; H74-S76 PolarHBondContact O-N 2.83Å; H74-M468 HydrophobicContact CB-CE 3.72Å; H74-M468 WeakPolarHBondContact CD2-CE 3.5Å; H74-M468 PolarHBondContact N-O 3.01Å; H74-R538 PolarHBondContact O-NH2 3.45Å; H74-R538 VanDerWaalsContact O-NH2 3.09Å; H74-T541 VanDerWaalsContact NE2-CB 3.34Å; H74-T541 WeakPolarHBondContact NE2-CB 3.45Å; H74-T541 PolarHBondContact NE2-OG1 2.99Å
75	P	96.4	Very high	94.6	Very high	102 Å²	102	54.9 Å²	54.9	66%	0.662	31%	0.309	S	S	*	.	S	Bend	trans	-76.5	-16.2	-169.7	29.5	-37.3	0	0	0	114.8
76	S	96.7	Very high	94.8	Very high	28 Å²	28	55.3 Å²	55.3	20%	0.196	31%	0.31	C	S	.	.	S	Bend	trans	-61.8	153.1	176.3	-61.3	0	0	0	0	111.8	H74 P537 R538	H74-S76 PolarHBondContact CE1-OG 3.03Å; H74-S76 WeakPolarHBondContact ND1-CB 3.37Å; H74-S76 PolarHBondContact ND1-N 3.4Å; H74-S76 PolarHBondContact ND1-OG 3.24Å; H74-S76 PolarHBondContact O-N 2.83Å; S76-P537 WeakPolarHBondContact OG-CB 3.44Å; S76-R538 PolarHBondContact O-NH2 3.26Å
77	P	95.8	Very high	95	Very high	112 Å²	112	53.6 Å²	53.6	73%	0.727	30%	0.302	S	S	*	.	P	Polyproline II helix	trans	-47.9	150.3	170.7	-27.5	35.4	0	0	0	112.4	R538	P77-R538 PolarHBondContact O-NE 3.42Å
78	R	95.8	Very high	95.2	Very high	104 Å²	104	62 Å²	62	39%	0.392	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-64.1	143.3	176.7	-68.5	-171.3	64.9	-179.4	-1.6	110.8	L80 D466 R534	R78-L80 VanDerWaalsContact C-N 3.27Å; R78-L80 WeakPolarHBondContact CB-O 3.36Å; R78-D466 VanDerWaalsContact CA-OD1 3.31Å; R78-D466 WeakPolarHBondContact CA-OD1 3.49Å; R78-D466 WeakPolarHBondContact CB-OD1 3.33Å; R78-D466 IonicContact CZ-OD2 3.67Å; R78-D466 VanDerWaalsContact CZ-OD2 3.28Å; R78-D466 IonicContact NE-OD2 3.78Å; R78-D466 PolarHBondContact NE-OD2 3.15Å; R78-D466 IonicContact NH2-OD2 2.87Å; R78-D466 PolarHBondContact NH2-OD2 2.71Å; R78-R534 PolarHBondContact O-NE 3.19Å; R78-R534 PolarHBondContact O-NH2 3.01Å
79	V	97.4	Very high	95.2	Very high	2 Å²	2	60 Å²	60	1%	0.012	33%	0.334	C	S	.	.	S	Bend	trans	-67.5	-35	174.8	-172.2	0	0	0	0	110.2	F465 D466 F531 R534 L535	V79-F465 HydrophobicContact CG2-CB 4.11Å; V79-D466 PolarHBondContact N-OD1 3.14Å; V79-F531 HydrophobicContact CG1-CD2 3.92Å; V79-F531 HydrophobicContact CG1-CE2 3.55Å; V79-F531 HydrophobicContact CG1-CZ 4.44Å; V79-R534 HydrophobicContact CG1-CB 4.47Å; V79-R534 PolarHBondContact O-NE 3.48Å; V79-R534 PolarHBondContact O-NH1 3.1Å; V79-R534 PolarHBondContact O-NH2 3.16Å; V79-L535 HydrophobicContact CG1-CB 4.13Å; V79-L535 HydrophobicContact CG1-CD1 4.24Å; V79-L535 HydrophobicContact CG2-CD1 3.9Å
80	L	96.8	Very high	95.2	Very high	16 Å²	16	56.3 Å²	56.3	8%	0.084	32%	0.322	C	S	.	.	S	Bend	trans	-107.4	145.8	175.1	-58.3	177.4	0	0	0	110.4	R78 H463	R78-L80 VanDerWaalsContact C-N 3.27Å; R78-L80 WeakPolarHBondContact CB-O 3.36Å; L80-H463 HydrophobicContact CD1-CB 4.36Å; L80-H463 WeakPolarHBondContact CD1-CD2 3.24Å; L80-H463 WeakPolarHBondContact CD1-NE2 3.4Å
81	D	94.3	Very high	95.1	Very high	82 Å²	82	57.6 Å²	57.6	44%	0.439	33%	0.331	S	S	.	.			trans	-67.4	147.3	173.6	-58.9	-45.5	0	0	0	110	N83 S84 R534	D81-N83 WeakPolarHBondContact CB-OD1 3.12Å; D81-N83 PolarHBondContact O-N 3.42Å; D81-N83 VanDerWaalsContact O-N 3.1Å; D81-S84 WeakPolarHBondContact O-CB 3.27Å; D81-S84 PolarHBondContact O-N 3.06Å; D81-S84 PolarHBondContact O-OG 2.98Å; D81-R534 VanDerWaalsContact CG-NH1 3.27Å; D81-R534 IonicContact OD1-CZ 2.67Å; D81-R534 VanDerWaalsContact OD1-CZ 3.24Å; D81-R534 IonicContact OD1-NH1 3.92Å; D81-R534 PolarHBondContact OD1-NH1 2.9Å; D81-R534 IonicContact OD1-NH2 2.7Å; D81-R534 PolarHBondContact OD1-NH2 3.39Å; D81-R534 IonicContact OD2-CZ 2.62Å; D81-R534 IonicContact OD2-NH1 2.6Å; D81-R534 PolarHBondContact OD2-NH1 3.3Å
82	A	90.5	Very high	95	Very high	87 Å²	87	61.1 Å²	61.1	72%	0.719	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-27.3	-177.6	0	0	0	0	0	112.6
83	N	93.3	Very high	95	Very high	78 Å²	78	59.5 Å²	59.5	42%	0.417	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	7.7	177.4	66.9	-17.8	0	0	0	114	D81 T85 T86 V89	D81-N83 WeakPolarHBondContact CB-OD1 3.12Å; D81-N83 PolarHBondContact O-N 3.42Å; D81-N83 VanDerWaalsContact O-N 3.1Å; N83-T85 PolarHBondContact O-N 3.29Å; N83-T85 VanDerWaalsContact O-N 3.09Å; N83-T86 HydrophobicContact CB-CG2 3.85Å; N83-T86 WeakPolarHBondContact O-CB 3.12Å; N83-T86 WeakPolarHBondContact O-CG2 3.26Å; N83-T86 PolarHBondContact O-N 3.46Å; N83-T86 PolarHBondContact O-OG1 2.9Å; N83-V89 HydrophobicContact CB-CG2 4.36Å; N83-V89 WeakPolarHBondContact ND2-CG2 3.43Å; N83-V89 WeakPolarHBondContact O-CG2 3.48Å
84	S	94.6	Very high	95.1	Very high	21 Å²	21	56.3 Å²	56.3	15%	0.147	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-28.4	-175.2	52.7	0	0	0	0	114.1	D81 S90	D81-S84 WeakPolarHBondContact O-CB 3.27Å; D81-S84 PolarHBondContact O-N 3.06Å; D81-S84 PolarHBondContact O-OG 2.98Å; S84-S90 VanDerWaalsContact O-CB 3.28Å; S84-S90 WeakPolarHBondContact O-CB 3.41Å
85	T	95.7	Very high	95.1	Very high	18 Å²	18	55.7 Å²	55.7	11%	0.11	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-2.1	-179.5	63.7	0	0	0	0	113.7	N83 F94 R109 Y401	N83-T85 PolarHBondContact O-N 3.29Å; N83-T85 VanDerWaalsContact O-N 3.09Å; T85-F94 WeakPolarHBondContact O-CD2 3.19Å; T85-R109 VanDerWaalsContact CB-O 3.29Å; T85-R109 WeakPolarHBondContact CB-O 3.27Å; T85-R109 HydrophobicContact CG2-CB 4.39Å; T85-R109 PolarHBondContact OG1-O 2.8Å; T85-R109 VanDerWaalsContact OG1-O 3.12Å; T85-Y401 HydrophobicContact CG2-CE2 4.01Å
86	T	95.1	Very high	95.2	Very high	54 Å²	54	51.1 Å²	51.1	33%	0.331	28%	0.283	S	S	.	.	S	Bend	trans	-67.9	152.5	-179.9	63.6	0	0	0	0	111.7	N83 K88 V89 S90	N83-T86 HydrophobicContact CB-CG2 3.85Å; N83-T86 WeakPolarHBondContact O-CB 3.12Å; N83-T86 WeakPolarHBondContact O-CG2 3.26Å; N83-T86 PolarHBondContact O-N 3.46Å; N83-T86 PolarHBondContact O-OG1 2.9Å; T86-K88 PolarHBondContact O-N 2.95Å; T86-V89 PolarHBondContact O-N 3.37Å; T86-S90 PolarHBondContact O-N 2.89Å
87	A	94.4	Very high	95.2	Very high	10 Å²	10	50.1 Å²	50.1	8%	0.083	28%	0.276	C	S	.	.	H	α-helix	trans	-56.4	-33.5	176.5	0	0	0	0	0	113.2	S91 F94	A87-S91 WeakPolarHBondContact O-CA 3.4Å; A87-S91 WeakPolarHBondContact O-CB 3.41Å; A87-S91 PolarHBondContact O-N 2.82Å; A87-F94 HydrophobicContact CB-CB 4.38Å; A87-F94 HydrophobicContact CB-CD1 3.8Å; A87-F94 HydrophobicContact CB-CD2 4.09Å; A87-F94 HydrophobicContact CB-CE1 3.99Å; A87-F94 HydrophobicContact CB-CE2 4.3Å; A87-F94 HydrophobicContact CB-CG 3.83Å; A87-F94 HydrophobicContact CB-CZ 4.24Å
88	K	92.9	Very high	95.3	Very high	198 Å²	198	45.2 Å²	45.2	86%	0.861	24%	0.244	S	C	*	.	H	α-helix	trans	-68	-38.2	179.6	-173.1	173.7	-178.1	175.4	0	113.3	T86	T86-K88 PolarHBondContact O-N 2.95Å
89	V	93.7	Very high	95.4	Very high	82 Å²	82	40.4 Å²	40.4	50%	0.497	23%	0.226	S	C	.	.	H	α-helix	trans	-88.7	-37.5	-178.4	176.7	0	0	0	0	111.3	N83 T86	N83-V89 HydrophobicContact CB-CG2 4.36Å; N83-V89 WeakPolarHBondContact ND2-CG2 3.43Å; N83-V89 WeakPolarHBondContact O-CG2 3.48Å; T86-V89 PolarHBondContact O-N 3.37Å
90	S	93.5	Very high	95.4	Very high	11 Å²	11	40.4 Å²	40.4	8%	0.077	23%	0.225	C	C	.	.	H	α-helix	trans	-134.5	51.5	-170.7	-179.6	0	0	0	0	112.2	S84 T86 E92 R93 F94 R109	S84-S90 VanDerWaalsContact O-CB 3.28Å; S84-S90 WeakPolarHBondContact O-CB 3.41Å; T86-S90 PolarHBondContact O-N 2.89Å; S90-E92 VanDerWaalsContact C-N 3.28Å; S90-E92 PolarHBondContact O-N 3.38Å; S90-R93 CarbonylContact O-C 3.43Å; S90-R93 PolarHBondContact O-N 2.89Å; S90-R93 VanDerWaalsContact O-N 3.08Å; S90-R93 WeakPolarHBondContact OG-CB 3.45Å; S90-F94 PolarHBondContact O-N 3.35Å; S90-R109 PolarHBondContact OG-NH2 3.02Å
91	S	94.3	Very high	95.3	Very high	28 Å²	28	40.3 Å²	40.3	20%	0.196	22%	0.224	C	C	.	.	H	α-helix	trans	-48.4	-46.9	-178.3	-169.6	0	0	0	0	113.1	A87 R93 F94	A87-S91 WeakPolarHBondContact O-CA 3.4Å; A87-S91 WeakPolarHBondContact O-CB 3.41Å; A87-S91 PolarHBondContact O-N 2.82Å; S91-R93 VanDerWaalsContact C-N 3.33Å; S91-R93 PolarHBondContact O-N 2.9Å; S91-F94 WeakPolarHBondContact O-CB 3.29Å; S91-F94 PolarHBondContact O-N 2.74Å; S91-F94 VanDerWaalsContact O-N 3.15Å
92	E	94.3	Very high	95.5	Very high	105 Å²	105	36.4 Å²	36.4	49%	0.491	20%	0.204	S	C	.	.	H	α-helix	trans	-62.5	-34.7	-177.9	-62.4	-173.6	161	0	0	113.9	S90 K172 V174	S90-E92 VanDerWaalsContact C-N 3.28Å; S90-E92 PolarHBondContact O-N 3.38Å; E92-K172 PolarHBondContact O-NZ 3.34Å; E92-V174 HydrophobicContact CG-CG2 3.95Å
93	R	95.9	Very high	95.9	Very high	26 Å²	26	32.3 Å²	32.3	10%	0.098	17%	0.17	C	C	.	.	H	α-helix	trans	-99.3	2.6	178.6	-63.6	179.9	-176.1	78	7.1	112.7	S90 S91 Y98 R109 L152 D453	S90-R93 CarbonylContact O-C 3.43Å; S90-R93 PolarHBondContact O-N 2.89Å; S90-R93 VanDerWaalsContact O-N 3.08Å; S90-R93 WeakPolarHBondContact OG-CB 3.45Å; S91-R93 VanDerWaalsContact C-N 3.33Å; S91-R93 PolarHBondContact O-N 2.9Å; R93-Y98 WeakPolarHBondContact CA-OH 3.34Å; R93-Y98 VanDerWaalsContact O-CE2 3.23Å; R93-Y98 WeakPolarHBondContact O-CE2 3.17Å; R93-Y98 PolarHBondContact O-OH 2.6Å; R93-R109 WeakPolarHBondContact O-CD 3.49Å; R93-R109 WeakPolarHBondContact O-CG 3.34Å; R93-R109 PolarHBondContact O-NE 3.01Å; R93-R109 VanDerWaalsContact O-NE 3.07Å; R93-L152 HydrophobicContact CG-CD2 3.41Å; R93-L152 VanDerWaalsContact CG-CD2 3.41Å; R93-D453 IonicContact CZ-OD2 3.11Å; R93-D453 IonicContact NE-OD2 2.66Å; R93-D453 IonicContact NH2-OD1 3.76Å; R93-D453 IonicContact NH2-OD2 2.71Å; R93-D453 PolarHBondContact NH2-OD2 3.03Å
94	F	97.4	Very high	96.1	Very high	4 Å²	4	28.7 Å²	28.7	2%	0.018	15%	0.15	C	C	.	.	H	α-helix	trans	-62.2	-50.9	-175.4	-175.7	-120.8	0	0	0	111.2	T85 A87 S90 S91 T108 R109 E233 L234	T85-F94 WeakPolarHBondContact O-CD2 3.19Å; A87-F94 HydrophobicContact CB-CB 4.38Å; A87-F94 HydrophobicContact CB-CD1 3.8Å; A87-F94 HydrophobicContact CB-CD2 4.09Å; A87-F94 HydrophobicContact CB-CE1 3.99Å; A87-F94 HydrophobicContact CB-CE2 4.3Å; A87-F94 HydrophobicContact CB-CG 3.83Å; A87-F94 HydrophobicContact CB-CZ 4.24Å; S90-F94 PolarHBondContact O-N 3.35Å; S91-F94 WeakPolarHBondContact O-CB 3.29Å; S91-F94 PolarHBondContact O-N 2.74Å; S91-F94 VanDerWaalsContact O-N 3.15Å; F94-T108 HydrophobicContact CD1-CG2 3.92Å; F94-T108 HydrophobicContact CE1-CG2 3.47Å; F94-T108 VanDerWaalsContact CE1-CG2 3.47Å; F94-T108 HydrophobicContact CE2-CG2 4.33Å; F94-T108 HydrophobicContact CZ-CG2 3.7Å; F94-T108 CarbonylContact O-C 3.55Å; F94-T108 WeakPolarHBondContact O-CA 3.4Å; F94-R109 PolarHBondContact O-N 3.36Å; F94-E233 HydrophobicContact CZ-CB 4.27Å; F94-L234 HydrophobicContact CE1-CD2 3.75Å
95	W	97.9	Very high	96.3	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.008	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	148.4	169.2	-82.4	105	0	0	0	111.9	Y98 M106 T108 K172 W182 L234 F337	W95-Y98 VanDerWaalsContact C-CE2 3.44Å; W95-M106 HydrophobicContact CB-CE 4.27Å; W95-M106 HydrophobicContact CE3-CB 4.07Å; W95-M106 HydrophobicContact CZ3-CB 4.2Å; W95-T108 HydrophobicContact CD2-CG2 3.68Å; W95-T108 VanDerWaalsContact CE2-CG2 3.45Å; W95-T108 HydrophobicContact CE3-CG2 4.03Å; W95-T108 HydrophobicContact CG-CG2 4.26Å; W95-T108 HydrophobicContact CH2-CG2 3.96Å; W95-T108 HydrophobicContact CZ2-CG2 3.62Å; W95-T108 HydrophobicContact CZ3-CG2 4.16Å; W95-K172 HydrophobicContact CB-CD 3.95Å; W95-K172 PolarHBondContact O-NZ 3.39Å; W95-W182 AromaticContact CD2-CD1 3.91Å; W95-W182 AromaticContact CD2-NE1 3.62Å; W95-W182 AromaticContact CE2-NE1 3.79Å; W95-W182 AromaticContact CE3-NE1 3.68Å; W95-W182 AromaticContact CG-CD1 3.96Å; W95-W182 AromaticContact CZ3-NE1 3.93Å; W95-L234 HydrophobicContact CH2-CD1 4.44Å; W95-L234 HydrophobicContact CZ2-CD1 3.82Å; W95-L234 HydrophobicContact CZ2-CD2 3.62Å; W95-L234 HydrophobicContact CZ2-CG 4.4Å; W95-F337 HydrophobicContact CH2-CE2 4.45Å; W95-F337 HydrophobicContact CZ2-CD2 4.31Å; W95-F337 HydrophobicContact CZ2-CE1 4.29Å; W95-F337 AromaticContact CZ2-CE2 3.78Å; W95-F337 HydrophobicContact CZ2-CE2 3.78Å; W95-F337 AromaticContact CZ2-CZ 3.79Å; W95-F337 HydrophobicContact CZ2-CZ 3.79Å; W95-F337 AromaticContact NE1-CE1 3.86Å
96	G	98.1	Very high	96.4	Very high	5 Å²	5	27 Å²	27	5%	0.052	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.3	175.4	170.3	0	0	0	0	0	112.2	Y98 M106 K107	G96-Y98 VanDerWaalsContact CA-CE2 3.44Å; G96-Y98 VanDerWaalsContact N-CE2 3.26Å; G96-Y98 PolarHBondContact O-N 2.99Å; G96-M106 WeakPolarHBondContact O-CA 3.12Å; G96-M106 WeakPolarHBondContact O-CB 3.38Å; G96-K107 PolarHBondContact N-O 2.58Å; G96-K107 PolarHBondContact O-N 3.11Å
97	S	98	Very high	96.5	Very high	7 Å²	7	25 Å²	25	5%	0.049	13%	0.126	C	C	.	.			trans	-75.4	44.9	174.6	60.5	0	0	0	0	112.4	R99 G105 H149	S97-R99 PolarHBondContact O-N 3Å; S97-G105 WeakPolarHBondContact CA-O 3.42Å; S97-H149 PolarHBondContact OG-NE2 3.03Å
98	Y	98.1	Very high	96.6	Very high	9 Å²	9	24.5 Å²	24.5	4%	0.035	12%	0.122	C	C	.	.			trans	-79.5	25.6	-167.7	-52.9	-47.2	0	0	0	114.8	R93 W95 G96 P100 K107 R109 M399 Y401 F425	R93-Y98 WeakPolarHBondContact CA-OH 3.34Å; R93-Y98 VanDerWaalsContact O-CE2 3.23Å; R93-Y98 WeakPolarHBondContact O-CE2 3.17Å; R93-Y98 PolarHBondContact O-OH 2.6Å; W95-Y98 VanDerWaalsContact C-CE2 3.44Å; G96-Y98 VanDerWaalsContact CA-CE2 3.44Å; G96-Y98 VanDerWaalsContact N-CE2 3.26Å; G96-Y98 PolarHBondContact O-N 2.99Å; Y98-P100 VanDerWaalsContact C-CD 3.5Å; Y98-K107 WeakPolarHBondContact CD2-O 3.46Å; Y98-R109 HydrophobicContact CD2-CG 3.63Å; Y98-R109 HydrophobicContact CE2-CG 3.29Å; Y98-M399 WeakPolarHBondContact CA-O 3.34Å; Y98-Y401 PolarHBondContact O-N 3.28Å; Y98-Y401 VanDerWaalsContact O-N 3.15Å; Y98-F425 AromaticContact CD1-CE2 3.76Å; Y98-F425 HydrophobicContact CD1-CE2 3.76Å; Y98-F425 AromaticContact CE1-CE2 3.53Å; Y98-F425 HydrophobicContact CE1-CE2 3.53Å; Y98-F425 HydrophobicContact CE1-CZ 4.01Å
99	R	96.8	Very high	96.7	Very high	4 Å²	4	15.2 Å²	15.2	2%	0.015	8%	0.082	C	C	.	.			trans	-122.9	70.8	175.9	-66.5	-177.4	71.4	-146.4	0.3	109	S97 Q101 V102 K107 Y205 E483	S97-R99 PolarHBondContact O-N 3Å; R99-Q101 PolarHBondContact O-N 2.84Å; R99-V102 HydrophobicContact CB-CG2 3.84Å; R99-V102 VanDerWaalsContact O-CG2 3.24Å; R99-V102 WeakPolarHBondContact O-CG2 3.48Å; R99-V102 PolarHBondContact O-N 3.06Å; R99-K107 HydrophobicContact CG-CB 4.16Å; R99-K107 HydrophobicContact CG-CD 3.46Å; R99-K107 VanDerWaalsContact CG-CD 3.46Å; R99-K107 HydrophobicContact CG-CG 3.77Å; R99-Y205 PolarHBondContact NH1-OH 2.83Å; R99-E483 IonicContact CZ-OE1 2.92Å; R99-E483 IonicContact NE-OE1 3.82Å; R99-E483 IonicContact NE-OE2 3.83Å; R99-E483 IonicContact NH2-OE1 3.87Å; R99-E483 PolarHBondContact NH2-OE1 2.85Å; R99-E483 IonicContact NH2-OE2 3.61Å
100	P	97.1	Very high	96.7	Very high	1 Å²	1	11.4 Å²	11.4	1%	0.006	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-24.2	-170.6	23.1	-33.6	0	0	0	113.8	Y98 V102 G398 F402 V428 R431 P435	Y98-P100 VanDerWaalsContact C-CD 3.5Å; P100-V102 VanDerWaalsContact C-N 3.27Å; P100-V102 PolarHBondContact O-N 2.8Å; P100-G398 WeakPolarHBondContact CB-O 3.34Å; P100-F402 HydrophobicContact CG-CZ 3.9Å; P100-V428 HydrophobicContact CB-CG1 4.42Å; P100-V428 HydrophobicContact CB-CG2 3.8Å; P100-V428 HydrophobicContact CG-CG1 3.82Å; P100-V428 HydrophobicContact CG-CG2 4.12Å; P100-R431 HydrophobicContact CB-CG 4.08Å; P100-R431 VanDerWaalsContact O-CB 3.3Å; P100-R431 WeakPolarHBondContact O-CB 3.13Å; P100-R431 WeakPolarHBondContact O-CG 3.28Å; P100-R431 PolarHBondContact O-NE 2.94Å; P100-R431 VanDerWaalsContact O-NE 3.15Å; P100-P435 HydrophobicContact CG-CB 4.45Å
101	Q	95.9	Very high	96.5	Very high	14 Å²	14	12.6 Å²	12.6	7%	0.065	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-15	177.1	73.9	-80.3	18.7	0	0	114.8	R99 T134 C135 P435 E483	R99-Q101 PolarHBondContact O-N 2.84Å; Q101-T134 CarbonylContact O-C 3.42Å; Q101-T134 VanDerWaalsContact O-CA 3.23Å; Q101-T134 WeakPolarHBondContact O-CA 3.43Å; Q101-T134 WeakPolarHBondContact O-CB 3.34Å; Q101-C135 PolarHBondContact O-N 3.45Å; Q101-P435 HydrophobicContact CB-CB 3.65Å; Q101-P435 HydrophobicContact CB-CG 3.75Å; Q101-E483 VanDerWaalsContact NE2-CD 3.29Å; Q101-E483 PolarHBondContact NE2-OE1 2.95Å
102	V	97.8	Very high	96.2	Very high	1 Å²	1	15.5 Å²	15.5	1%	0.006	7%	0.073	C	C	.	.	B	Isolated β-bridge	trans	-102.4	149.7	175.6	-57.6	0	0	0	0	110.9	R99 P100 F104 T134 C135 R431	R99-V102 HydrophobicContact CB-CG2 3.84Å; R99-V102 VanDerWaalsContact O-CG2 3.24Å; R99-V102 WeakPolarHBondContact O-CG2 3.48Å; R99-V102 PolarHBondContact O-N 3.06Å; P100-V102 VanDerWaalsContact C-N 3.27Å; P100-V102 PolarHBondContact O-N 2.8Å; V102-F104 VanDerWaalsContact C-N 3.31Å; V102-F104 PolarHBondContact O-N 2.67Å; V102-T134 HydrophobicContact CG1-CG2 4.31Å; V102-C135 VanDerWaalsContact C-SG 3.52Å; V102-R431 PolarHBondContact O-NH2 3.22Å
103	Y	98.4	Very high	95.8	Very high	1 Å²	1	10.5 Å²	10.5	0%	0.004	5%	0.049	C	C	.	.	S	Bend	trans	-60.9	-41.9	178	-76.2	-68.1	0	0	0	111.9	W120 R132 H133 T134 C135 E136 D139 L141 Y144 Q157 R431	Y103-W120 HydrophobicContact CD1-CH2 4.04Å; Y103-W120 AromaticContact CD2-CH2 3.3Å; Y103-W120 HydrophobicContact CD2-CH2 3.3Å; Y103-W120 HydrophobicContact CD2-CZ2 4.43Å; Y103-W120 AromaticContact CD2-CZ3 3.54Å; Y103-W120 HydrophobicContact CD2-CZ3 3.54Å; Y103-W120 HydrophobicContact CE1-CH2 4.45Å; Y103-W120 AromaticContact CE2-CH2 3.77Å; Y103-W120 HydrophobicContact CE2-CH2 3.77Å; Y103-W120 HydrophobicContact CE2-CZ3 4.37Å; Y103-W120 AromaticContact CG-CH2 3.45Å; Y103-W120 HydrophobicContact CG-CH2 3.45Å; Y103-W120 VanDerWaalsContact CG-CH2 3.45Å; Y103-W120 AromaticContact CG-CZ3 3.73Å; Y103-W120 HydrophobicContact CG-CZ3 3.73Å; Y103-R132 HydrophobicContact CD2-CB 4.47Å; Y103-R132 HydrophobicContact CE2-CB 4.27Å; Y103-H133 WeakPolarHBondContact CD2-O 3.44Å; Y103-H133 PolarHBondContact N-O 2.92Å; Y103-T134 WeakPolarHBondContact CE2-O 3.39Å; Y103-C135 HydrophobicContact CE1-CB 4.37Å; Y103-E136 PolarHBondContact OH-N 2.91Å; Y103-D139 VanDerWaalsContact CE2-OD2 3.3Å; Y103-D139 WeakPolarHBondContact CE2-OD2 3.42Å; Y103-D139 WeakPolarHBondContact OH-CB 3.42Å; Y103-D139 PolarHBondContact OH-OD2 2.9Å; Y103-L141 HydrophobicContact CD1-CD1 4.25Å; Y103-L141 HydrophobicContact CE1-CD1 3.4Å; Y103-L141 VanDerWaalsContact CE1-CD1 3.4Å; Y103-L141 HydrophobicContact CE2-CD1 4.38Å; Y103-L141 VanDerWaalsContact CZ-CD1 3.48Å; Y103-L141 WeakPolarHBondContact OH-CD1 3.3Å; Y103-Y144 HydrophobicContact CD1-CD1 4.44Å; Y103-Y144 AromaticContact CD1-CD2 3.75Å; Y103-Y144 HydrophobicContact CD1-CD2 3.75Å; Y103-Y144 AromaticContact CD1-CE2 3.89Å; Y103-Y144 HydrophobicContact CD1-CE2 3.89Å; Y103-Y144 HydrophobicContact CD1-CG 4.04Å; Y103-Y144 AromaticContact CE1-CD1 3.77Å; Y103-Y144 HydrophobicContact CE1-CD1 3.77Å; Y103-Y144 AromaticContact CE1-CD2 3.88Å; Y103-Y144 HydrophobicContact CE1-CD2 3.88Å; Y103-Y144 AromaticContact CE1-CE1 3.79Å; Y103-Y144 HydrophobicContact CE1-CE1 3.79Å; Y103-Y144 AromaticContact CE1-CE2 3.87Å; Y103-Y144 HydrophobicContact CE1-CE2 3.87Å; Y103-Y144 AromaticContact CE1-CG 3.83Å; Y103-Y144 HydrophobicContact CE1-CG 3.83Å; Y103-Y144 AromaticContact CE1-CZ 3.82Å; Y103-Q157 PolarHBondContact O-NE2 2.92Å; Y103-Q157 PolarHBondContact O-OE1 2.79Å; Y103-R431 VanDerWaalsContact C-NH2 3.34Å; Y103-R431 PolarHBondContact O-NH2 3.44Å
104	F	98.6	Very high	95.7	Very high	2 Å²	2	9.3 Å²	9.3	1%	0.009	5%	0.045	C	C	.	.	S	Bend	trans	-153.9	127.9	173.1	-173	-117.3	0	0	0	110.9	V102 G117 M118 W146 T168 F170 W184 I186	V102-F104 VanDerWaalsContact C-N 3.31Å; V102-F104 PolarHBondContact O-N 2.67Å; F104-G117 WeakPolarHBondContact O-CA 3.47Å; F104-M118 HydrophobicContact CB-CB 4.44Å; F104-M118 HydrophobicContact CB-CE 4.28Å; F104-M118 HydrophobicContact CD1-CB 4.2Å; F104-M118 PolarHBondContact O-N 2.91Å; F104-W146 AromaticContact CD2-CH2 3.93Å; F104-W146 HydrophobicContact CD2-CH2 3.93Å; F104-W146 HydrophobicContact CD2-CZ2 4.4Å; F104-W146 AromaticContact CE2-CH2 3.81Å; F104-W146 HydrophobicContact CE2-CH2 3.81Å; F104-T168 HydrophobicContact CB-CG2 4.35Å; F104-T168 HydrophobicContact CD1-CG2 4.42Å; F104-T168 HydrophobicContact CG-CG2 4.28Å; F104-F170 HydrophobicContact CE2-CD1 4.15Å; F104-F170 HydrophobicContact CZ-CB 4.22Å; F104-W184 HydrophobicContact CD1-CD2 4.28Å; F104-W184 HydrophobicContact CD1-CE3 4.19Å; F104-W184 HydrophobicContact CD1-CZ3 4.38Å; F104-W184 HydrophobicContact CE1-CB 4.06Å; F104-W184 AromaticContact CE1-CD1 3.96Å; F104-W184 AromaticContact CE1-CD2 3.32Å; F104-W184 HydrophobicContact CE1-CD2 3.32Å; F104-W184 AromaticContact CE1-CE2 3.68Å; F104-W184 AromaticContact CE1-CE3 3.59Å; F104-W184 HydrophobicContact CE1-CE3 3.59Å; F104-W184 AromaticContact CE1-CG 3.53Å; F104-W184 HydrophobicContact CE1-CG 3.53Å; F104-W184 HydrophobicContact CE1-CH2 4.46Å; F104-W184 HydrophobicContact CE1-CZ2 4.26Å; F104-W184 HydrophobicContact CE1-CZ3 4.16Å; F104-W184 HydrophobicContact CZ-CB 4.31Å; F104-W184 AromaticContact CZ-CD1 3.67Å; F104-W184 AromaticContact CZ-CD2 3.84Å; F104-W184 HydrophobicContact CZ-CD2 3.84Å; F104-W184 AromaticContact CZ-CE2 3.9Å; F104-W184 AromaticContact CZ-CG 3.71Å; F104-W184 HydrophobicContact CZ-CG 3.71Å; F104-W184 AromaticContact CZ-NE1 3.8Å; F104-I186 HydrophobicContact CD1-CD1 4.19Å; F104-I186 HydrophobicContact CE1-CD1 3.92Å
105	G	98	Very high	95.7	Very high	2 Å²	2	9.1 Å²	9.1	2%	0.021	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.7	162	176.9	0	0	0	0	0	111.4	S97 T116	S97-G105 WeakPolarHBondContact CA-O 3.42Å; G105-T116 CarbonylContact C-O 3.47Å; G105-T116 WeakPolarHBondContact CA-O 3.27Å
106	M	98.2	Very high	95.7	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	149.7	-178.8	-64.2	-177.4	76.4	0	0	110.9	W95 G96 T116 F170 K172 W182 W184	W95-M106 HydrophobicContact CB-CE 4.27Å; W95-M106 HydrophobicContact CE3-CB 4.07Å; W95-M106 HydrophobicContact CZ3-CB 4.2Å; G96-M106 WeakPolarHBondContact O-CA 3.12Å; G96-M106 WeakPolarHBondContact O-CB 3.38Å; M106-T116 PolarHBondContact N-O 2.83Å; M106-T116 PolarHBondContact O-N 2.94Å; M106-T116 PolarHBondContact O-OG1 3.08Å; M106-F170 HydrophobicContact CE-CD2 4.34Å; M106-F170 HydrophobicContact CE-CE2 4.48Å; M106-K172 HydrophobicContact CE-CD 3.85Å; M106-K172 HydrophobicContact CE-CG 4.21Å; M106-W182 HydrophobicContact CE-CG 4.31Å; M106-W182 HydrophobicContact SD-CD2 4.05Å; M106-W182 HydrophobicContact SD-CE3 4.43Å; M106-W182 HydrophobicContact SD-CG 4.17Å; M106-W184 HydrophobicContact CB-CZ2 4.06Å; M106-W184 HydrophobicContact CG-CZ2 3.83Å; M106-W184 HydrophobicContact SD-CZ2 4.18Å; M106-W184 PolarHBondContact SD-NE1 2.94Å
107	K	96.9	Very high	95.7	Very high	12 Å²	12	9 Å²	9	5%	0.052	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	167.5	171	70.7	175.2	-66.8	178.9	0	110.2	G96 Y98 R99 S113 V115 Y401	G96-K107 PolarHBondContact N-O 2.58Å; G96-K107 PolarHBondContact O-N 3.11Å; Y98-K107 WeakPolarHBondContact CD2-O 3.46Å; R99-K107 HydrophobicContact CG-CB 4.16Å; R99-K107 HydrophobicContact CG-CD 3.46Å; R99-K107 VanDerWaalsContact CG-CD 3.46Å; R99-K107 HydrophobicContact CG-CG 3.77Å; K107-S113 WeakPolarHBondContact CB-OG 3.48Å; K107-V115 HydrophobicContact CB-CB 4.43Å; K107-V115 HydrophobicContact CB-CG1 3.83Å; K107-Y401 PolarHBondContact NZ-O 3.05Å
108	T	96.8	Very high	95.7	Very high	1 Å²	1	8.6 Å²	8.6	1%	0.006	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	158.6	169.2	62.3	0	0	0	0	111.1	F94 W95 S110 S113 L234	F94-T108 HydrophobicContact CD1-CG2 3.92Å; F94-T108 HydrophobicContact CE1-CG2 3.47Å; F94-T108 VanDerWaalsContact CE1-CG2 3.47Å; F94-T108 HydrophobicContact CE2-CG2 4.33Å; F94-T108 HydrophobicContact CZ-CG2 3.7Å; F94-T108 CarbonylContact O-C 3.55Å; F94-T108 WeakPolarHBondContact O-CA 3.4Å; W95-T108 HydrophobicContact CD2-CG2 3.68Å; W95-T108 VanDerWaalsContact CE2-CG2 3.45Å; W95-T108 HydrophobicContact CE3-CG2 4.03Å; W95-T108 HydrophobicContact CG-CG2 4.26Å; W95-T108 HydrophobicContact CH2-CG2 3.96Å; W95-T108 HydrophobicContact CZ2-CG2 3.62Å; W95-T108 HydrophobicContact CZ3-CG2 4.16Å; T108-S110 PolarHBondContact O-N 3.26Å; T108-S110 WeakPolarHBondContact OG1-CB 3.21Å; T108-S113 PolarHBondContact N-OG 3.09Å; T108-S113 WeakPolarHBondContact OG1-CB 3.26Å; T108-S113 PolarHBondContact OG1-OG 2.79Å; T108-L234 HydrophobicContact CG2-CD2 3.93Å; T108-L234 HydrophobicContact CG2-CG 4.49Å
109	R	95.8	Very high	95.8	Very high	2 Å²	2	8.2 Å²	8.2	1%	0.008	4%	0.038	C	C	.	.	S	Bend	trans	-76.4	61.1	169.7	-60.9	-160.6	-56.1	169	2.9	111.2	T85 S90 R93 F94 Y98 Y401 E459	T85-R109 VanDerWaalsContact CB-O 3.29Å; T85-R109 WeakPolarHBondContact CB-O 3.27Å; T85-R109 HydrophobicContact CG2-CB 4.39Å; T85-R109 PolarHBondContact OG1-O 2.8Å; T85-R109 VanDerWaalsContact OG1-O 3.12Å; S90-R109 PolarHBondContact OG-NH2 3.02Å; R93-R109 WeakPolarHBondContact O-CD 3.49Å; R93-R109 WeakPolarHBondContact O-CG 3.34Å; R93-R109 PolarHBondContact O-NE 3.01Å; R93-R109 VanDerWaalsContact O-NE 3.07Å; F94-R109 PolarHBondContact O-N 3.36Å; Y98-R109 HydrophobicContact CD2-CG 3.63Å; Y98-R109 HydrophobicContact CE2-CG 3.29Å; R109-Y401 VanDerWaalsContact C-CE1 3.5Å; R109-Y401 HydrophobicContact CB-CD2 3.53Å; R109-Y401 HydrophobicContact CB-CE2 3.58Å; R109-Y401 HydrophobicContact CB-CG 4.08Å; R109-Y401 HydrophobicContact CG-CD2 3.77Å; R109-Y401 HydrophobicContact CG-CE2 4.31Å; R109-Y401 HydrophobicContact CG-CG 4.2Å; R109-Y401 PolarHBondContact O-OH 2.77Å; R109-E459 IonicContact CZ-OE2 3.4Å; R109-E459 IonicContact NH1-OE2 3.58Å; R109-E459 PolarHBondContact NH1-OE2 3.08Å; R109-E459 IonicContact NH2-OE2 2.75Å; R109-E459 PolarHBondContact NH2-OE2 3.06Å
110	S	92.9	Very high	95.8	Very high	2 Å²	2	8 Å²	8	1%	0.014	4%	0.038	C	C	.	.	S	Bend	trans	-134.8	145.9	-176.6	167.2	0	0	0	0	112.4	T108 R112 E233 Y401	T108-S110 PolarHBondContact O-N 3.26Å; T108-S110 WeakPolarHBondContact OG1-CB 3.21Å; S110-R112 PolarHBondContact O-N 3.41Å; S110-R112 PolarHBondContact OG-N 2.9Å; S110-E233 WeakPolarHBondContact CB-OE2 3.19Å; S110-E233 PolarHBondContact OG-OE1 3.23Å; S110-E233 PolarHBondContact OG-OE2 3.48Å; S110-Y401 VanDerWaalsContact O-CE1 3.28Å; S110-Y401 WeakPolarHBondContact O-CE1 3.38Å
111	P	89.8	Confident	95.8	Very high	36 Å²	36	8.1 Å²	8.1	23%	0.234	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-15.8	168.9	29.7	-37.1	0	0	0	114.5	Y403	P111-Y403 HydrophobicContact CB-CD1 3.41Å; P111-Y403 VanDerWaalsContact CB-CD1 3.41Å; P111-Y403 HydrophobicContact CB-CD2 3.62Å; P111-Y403 HydrophobicContact CB-CE1 3.56Å; P111-Y403 HydrophobicContact CB-CE2 3.74Å; P111-Y403 HydrophobicContact CB-CG 3.43Å; P111-Y403 VanDerWaalsContact CB-CG 3.43Å
112	R	87.3	Confident	95.7	Very high	89 Å²	89	10.5 Å²	10.5	34%	0.336	5%	0.047	S	C	.	.	T	Hydrogen-bonded Turn	trans	-134.8	47.2	-171.3	-60.2	-177.3	-73.4	158.4	-0	111.2	S110 T210 Q211 E232	S110-R112 PolarHBondContact O-N 3.41Å; S110-R112 PolarHBondContact OG-N 2.9Å; R112-T210 WeakPolarHBondContact CG-OG1 3.47Å; R112-Q211 HydrophobicContact CB-CG 3.85Å; R112-Q211 VanDerWaalsContact CB-NE2 3.27Å; R112-Q211 VanDerWaalsContact NH1-OE1 3.15Å; R112-Q211 PolarHBondContact O-NE2 3.3Å; R112-Q211 VanDerWaalsContact O-NE2 3.15Å; R112-E232 IonicContact CZ-OE2 3.69Å; R112-E232 VanDerWaalsContact CZ-OE2 3.25Å; R112-E232 IonicContact NH1-OE2 3.51Å; R112-E232 PolarHBondContact NH1-OE2 2.94Å; R112-E232 IonicContact NH2-OE2 3.88Å; R112-E232 PolarHBondContact NH2-OE2 3.26Å
113	S	86.8	Confident	95.5	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.047	C	C	.	.			trans	-74.7	143.3	-170.6	-178.9	0	0	0	0	112.7	K107 T108 D209	K107-S113 WeakPolarHBondContact CB-OG 3.48Å; T108-S113 PolarHBondContact N-OG 3.09Å; T108-S113 WeakPolarHBondContact OG1-CB 3.26Å; T108-S113 PolarHBondContact OG1-OG 2.79Å; S113-D209 WeakPolarHBondContact O-CB 3.28Å; S113-D209 PolarHBondContact O-N 2.97Å
114	V	93.5	Very high	95.1	Very high	2 Å²	2	13.7 Å²	13.7	1%	0.012	6%	0.06	C	C	.	.			trans	-74.2	128.4	153.4	176.9	0	0	0	0	107.4	L234 F237	V114-L234 HydrophobicContact CB-CD1 3.86Å; V114-L234 HydrophobicContact CG2-CD1 3.95Å; V114-F237 HydrophobicContact CG1-CZ 4.13Å; V114-F237 HydrophobicContact CG2-CE1 4.22Å; V114-F237 HydrophobicContact CG2-CZ 4.13Å
115	V	96.3	Very high	94.2	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	146.7	178.1	-54.1	0	0	0	0	110.7	K107 Y205 A206 A207 L267	K107-V115 HydrophobicContact CB-CB 4.43Å; K107-V115 HydrophobicContact CB-CG1 3.83Å; V115-Y205 HydrophobicContact CG2-CE2 4.4Å; V115-A206 CarbonylContact O-C 3.53Å; V115-A206 WeakPolarHBondContact O-CA 3.37Å; V115-A207 HydrophobicContact CG2-CB 3.83Å; V115-A207 PolarHBondContact N-O 2.71Å; V115-A207 PolarHBondContact O-N 3Å; V115-L267 HydrophobicContact CG1-CD1 3.8Å; V115-L267 HydrophobicContact CG2-CD1 4.13Å; V115-L267 HydrophobicContact CG2-CD2 3.59Å; V115-L267 HydrophobicContact CG2-CG 4.5Å
116	T	98.3	Very high	92.8	Very high	3 Å²	3	24.1 Å²	24.1	2%	0.018	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	151	172.3	54.6	0	0	0	0	109.8	G105 M106 W182 W184 Y205 A206 I239	G105-T116 CarbonylContact C-O 3.47Å; G105-T116 WeakPolarHBondContact CA-O 3.27Å; M106-T116 PolarHBondContact N-O 2.83Å; M106-T116 PolarHBondContact O-N 2.94Å; M106-T116 PolarHBondContact O-OG1 3.08Å; T116-W182 HydrophobicContact CG2-CH2 4.18Å; T116-W182 HydrophobicContact CG2-CZ2 3.94Å; T116-W184 WeakPolarHBondContact OG1-CH2 3.26Å; T116-W184 VanDerWaalsContact OG1-CZ2 3.31Å; T116-W184 WeakPolarHBondContact OG1-CZ2 3.28Å; T116-Y205 WeakPolarHBondContact CA-O 3.32Å; T116-A206 HydrophobicContact CG2-CB 4.23Å; T116-I239 HydrophobicContact CG2-CD1 3.83Å
117	G	98.4	Very high	91.2	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.8	175.1	175.5	0	0	0	0	0	114.1	F104 Y205	F104-G117 WeakPolarHBondContact O-CA 3.47Å; G117-Y205 VanDerWaalsContact CA-CE1 3.44Å; G117-Y205 VanDerWaalsContact CA-CZ 3.42Å; G117-Y205 PolarHBondContact N-O 2.79Å; G117-Y205 VanDerWaalsContact N-O 3.11Å; G117-Y205 VanDerWaalsContact O-CD1 3.29Å; G117-Y205 WeakPolarHBondContact O-CD1 3.23Å; G117-Y205 PolarHBondContact O-N 2.9Å
118	M	98.6	Very high	89.6	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	136.8	179.9	-171.6	-177	74.8	0	0	110.1	F104 W120 L166 T168 I186 L202 M203 F204	F104-M118 HydrophobicContact CB-CB 4.44Å; F104-M118 HydrophobicContact CB-CE 4.28Å; F104-M118 HydrophobicContact CD1-CB 4.2Å; F104-M118 PolarHBondContact O-N 2.91Å; M118-W120 HydrophobicContact CE-CE3 4.08Å; M118-W120 HydrophobicContact CE-CZ3 4.4Å; M118-L166 HydrophobicContact CE-CD1 4.41Å; M118-T168 HydrophobicContact CE-CG2 3.64Å; M118-T168 HydrophobicContact SD-CG2 4.45Å; M118-I186 HydrophobicContact SD-CD1 3.77Å; M118-I186 HydrophobicContact SD-CG1 3.87Å; M118-I186 HydrophobicContact SD-CG2 4.06Å; M118-L202 HydrophobicContact SD-CD2 4.44Å; M118-M203 CarbonylContact C-O 3.53Å; M118-M203 WeakPolarHBondContact CA-O 3.41Å; M118-F204 HydrophobicContact CB-CD1 4.47Å; M118-F204 HydrophobicContact CG-CD1 4.21Å; M118-F204 HydrophobicContact CG-CE1 4.01Å; M118-F204 HydrophobicContact SD-CE1 4.05Å
119	M	98.8	Very high	88.5	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	159.2	163.7	-40.8	-173.8	-175.1	0	0	109	L131 R132 H133 M203 Y205 L270 V274	M119-L131 HydrophobicContact CB-CD1 3.86Å; M119-L131 HydrophobicContact SD-CD1 4.35Å; M119-L131 HydrophobicContact SD-CD2 4Å; M119-L131 HydrophobicContact SD-CG 4.44Å; M119-R132 WeakPolarHBondContact CA-O 3.11Å; M119-R132 VanDerWaalsContact CB-O 3.26Å; M119-R132 WeakPolarHBondContact CB-O 3.3Å; M119-H133 HydrophobicContact CB-CB 4.26Å; M119-H133 HydrophobicContact CE-CB 4.46Å; M119-H133 HydrophobicContact CG-CB 3.78Å; M119-H133 HydrophobicContact SD-CB 3.98Å; M119-M203 HydrophobicContact CB-CB 4.09Å; M119-M203 HydrophobicContact CB-SD 4.48Å; M119-M203 PolarHBondContact N-O 3.42Å; M119-M203 PolarHBondContact O-N 2.7Å; M119-Y205 HydrophobicContact CE-CD1 3.8Å; M119-Y205 HydrophobicContact CE-CE1 3.69Å; M119-Y205 HydrophobicContact CG-CD1 4.2Å; M119-Y205 HydrophobicContact CG-CE1 4.13Å; M119-L270 HydrophobicContact CE-CB 4.36Å; M119-V274 HydrophobicContact CE-CB 4.42Å; M119-V274 HydrophobicContact CE-CG2 3.82Å; M119-V274 HydrophobicContact SD-CB 4.06Å; M119-V274 HydrophobicContact SD-CG1 4.05Å; M119-V274 HydrophobicContact SD-CG2 3.92Å
120	W	98.3	Very high	88.1	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	160.8	171.4	73.6	97.4	0	0	0	112.6	Y103 M118 R132 L141 I159 D161 F164 L166 I200 S201 L202	Y103-W120 HydrophobicContact CD1-CH2 4.04Å; Y103-W120 AromaticContact CD2-CH2 3.3Å; Y103-W120 HydrophobicContact CD2-CH2 3.3Å; Y103-W120 HydrophobicContact CD2-CZ2 4.43Å; Y103-W120 AromaticContact CD2-CZ3 3.54Å; Y103-W120 HydrophobicContact CD2-CZ3 3.54Å; Y103-W120 HydrophobicContact CE1-CH2 4.45Å; Y103-W120 AromaticContact CE2-CH2 3.77Å; Y103-W120 HydrophobicContact CE2-CH2 3.77Å; Y103-W120 HydrophobicContact CE2-CZ3 4.37Å; Y103-W120 AromaticContact CG-CH2 3.45Å; Y103-W120 HydrophobicContact CG-CH2 3.45Å; Y103-W120 VanDerWaalsContact CG-CH2 3.45Å; Y103-W120 AromaticContact CG-CZ3 3.73Å; Y103-W120 HydrophobicContact CG-CZ3 3.73Å; M118-W120 HydrophobicContact CE-CE3 4.08Å; M118-W120 HydrophobicContact CE-CZ3 4.4Å; W120-R132 HydrophobicContact CD2-CB 3.57Å; W120-R132 HydrophobicContact CD2-CG 4.1Å; W120-R132 VanDerWaalsContact CE2-CG 3.46Å; W120-R132 HydrophobicContact CE3-CB 3.72Å; W120-R132 HydrophobicContact CG-CB 4.29Å; W120-R132 HydrophobicContact CH2-CB 3.55Å; W120-R132 HydrophobicContact CH2-CG 4.22Å; W120-R132 HydrophobicContact CZ2-CB 3.37Å; W120-R132 HydrophobicContact CZ2-CG 3.55Å; W120-R132 HydrophobicContact CZ3-CB 3.71Å; W120-R132 PolarHBondContact N-O 3.43Å; W120-R132 VanDerWaalsContact N-O 3.09Å; W120-R132 PolarHBondContact O-N 3.15Å; W120-L141 HydrophobicContact CH2-CD1 4.48Å; W120-L141 HydrophobicContact CZ2-CD1 4.25Å; W120-I159 HydrophobicContact CH2-CD1 4.08Å; W120-I159 HydrophobicContact CH2-CG2 3.96Å; W120-I159 HydrophobicContact CZ2-CG2 3.78Å; W120-I159 HydrophobicContact CZ3-CD1 4.31Å; W120-D161 PolarHBondContact NE1-OD2 3.07Å; W120-F164 AromaticContact CD1-CZ 3.86Å; W120-F164 AromaticContact NE1-CZ 3.93Å; W120-L166 HydrophobicContact CB-CD1 4.36Å; W120-L166 HydrophobicContact CD2-CD1 3.81Å; W120-L166 HydrophobicContact CE3-CD1 4.38Å; W120-L166 HydrophobicContact CG-CD1 3.79Å; W120-I200 HydrophobicContact CB-CG2 4.48Å; W120-S201 CarbonylContact C-O 3.59Å; W120-S201 VanDerWaalsContact CA-O 3.22Å; W120-S201 WeakPolarHBondContact CA-O 3.35Å; W120-L202 HydrophobicContact CB-CD2 3.68Å
121	M	95.8	Very high	88.2	Confident	3 Å²	3	39.9 Å²	39.9	2%	0.015	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	148.3	166.7	64.7	178	62.6	0	0	110.5	Q123 M129 L131 S201 M203 L278 I295	M121-Q123 PolarHBondContact SD-NE2 3.42Å; M121-Q123 VanDerWaalsContact SD-NE2 3.39Å; M121-M129 HydrophobicContact CE-CG 4.37Å; M121-L131 HydrophobicContact CE-CB 4.15Å; M121-L131 HydrophobicContact CE-CD1 3.63Å; M121-L131 HydrophobicContact CE-CG 4.46Å; M121-S201 PolarHBondContact N-O 2.69Å; M121-S201 PolarHBondContact O-N 2.87Å; M121-M203 HydrophobicContact CE-CE 3.35Å; M121-M203 HydrophobicContact CG-CE 4.36Å; M121-M203 HydrophobicContact SD-CE 4.12Å; M121-L278 HydrophobicContact CE-CD1 3.57Å; M121-L278 HydrophobicContact CE-CD2 4.1Å; M121-I295 HydrophobicContact SD-CB 4.08Å; M121-I295 HydrophobicContact SD-CG2 4.1Å
122	R	93.9	Very high	88.6	Confident	65 Å²	65	39.2 Å²	39.2	25%	0.245	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	128.3	166.9	-170.1	-175.4	-172.2	-54.2	7	109.3	D163 F164	R122-D163 WeakPolarHBondContact CD-OD1 3.41Å; R122-D163 IonicContact CZ-OD1 2.83Å; R122-D163 IonicContact CZ-OD2 3.68Å; R122-D163 VanDerWaalsContact CZ-OD2 3.23Å; R122-D163 VanDerWaalsContact NE-CG 3.34Å; R122-D163 IonicContact NE-OD1 2.85Å; R122-D163 PolarHBondContact NE-OD1 2.7Å; R122-D163 IonicContact NE-OD2 2.72Å; R122-D163 PolarHBondContact NE-OD2 3.21Å; R122-D163 IonicContact NH2-OD2 3.81Å; R122-D163 PolarHBondContact NH2-OD2 2.9Å; R122-F164 HydrophobicContact CB-CE1 4.15Å; R122-F164 HydrophobicContact CG-CE1 4.29Å
123	Q	93.8	Very high	89.1	Confident	4 Å²	4	35.2 Å²	35.2	2%	0.019	19%	0.185	C	C	.	.	S	Bend	trans	-86.8	157.8	174.7	-66.1	-67.6	-16.6	0	0	111	M121 S125 V199 S201 I295 T326	M121-Q123 PolarHBondContact SD-NE2 3.42Å; M121-Q123 VanDerWaalsContact SD-NE2 3.39Å; Q123-S125 VanDerWaalsContact C-N 3.25Å; Q123-S125 PolarHBondContact O-N 2.93Å; Q123-V199 HydrophobicContact CB-CB 4.25Å; Q123-V199 HydrophobicContact CB-CG1 4.2Å; Q123-V199 HydrophobicContact CG-CG1 4.44Å; Q123-V199 PolarHBondContact N-O 2.96Å; Q123-S201 WeakPolarHBondContact CG-OG 3.4Å; Q123-S201 PolarHBondContact NE2-OG 2.92Å; Q123-I295 PolarHBondContact NE2-O 2.72Å; Q123-T326 HydrophobicContact CG-CG2 4.05Å
124	F	90.3	Very high	89.6	Confident	64 Å²	64	36.4 Å²	36.4	28%	0.281	19%	0.193	S	C	.	.	S	Bend	trans	58.2	30.3	174.6	-38.6	-64.9	0	0	0	114.8	V199 F284 R292 H293	F124-V199 HydrophobicContact CD2-CB 3.87Å; F124-V199 HydrophobicContact CD2-CG1 4.47Å; F124-V199 HydrophobicContact CD2-CG2 4.08Å; F124-V199 HydrophobicContact CE2-CB 3.64Å; F124-V199 HydrophobicContact CE2-CG1 3.8Å; F124-V199 HydrophobicContact CE2-CG2 3.78Å; F124-F284 HydrophobicContact CE2-CD1 4.44Å; F124-F284 HydrophobicContact CZ-CB 4.06Å; F124-F284 HydrophobicContact CZ-CD1 4.33Å; F124-F284 HydrophobicContact CZ-CG 4.38Å; F124-R292 HydrophobicContact CD1-CB 4.09Å; F124-R292 HydrophobicContact CE1-CB 3.39Å; F124-R292 HydrophobicContact CE1-CG 4.5Å; F124-R292 HydrophobicContact CZ-CB 3.75Å; F124-H293 WeakPolarHBondContact CE1-O 3.49Å
125	S	80.8	Confident	89.7	Confident	43 Å²	43	36.4 Å²	36.4	30%	0.301	19%	0.192	S	C	.	.			trans	-88.5	150.3	169.9	57	0	0	0	0	111.3	Q123 S127	Q123-S125 VanDerWaalsContact C-N 3.25Å; Q123-S125 PolarHBondContact O-N 2.93Å; S125-S127 PolarHBondContact O-N 3.43Å; S125-S127 PolarHBondContact OG-OG 3.47Å
126	N	68.4	Low	89.7	Confident	180 Å²	180	39.5 Å²	39.5	96%	0.963	21%	0.207	S	C	*	.	S	Bend	trans	-71.8	-14.6	177.1	-67.6	-12.9	0	0	0	113.7
127	S	63.1	Low	89.4	Confident	61 Å²	61	42.2 Å²	42.2	43%	0.427	22%	0.219	S	C	.	.	S	Bend	trans	-82	161.4	177	62.5	0	0	0	0	112.2	S125 N130	S125-S127 PolarHBondContact O-N 3.43Å; S125-S127 PolarHBondContact OG-OG 3.47Å; S127-N130 PolarHBondContact OG-ND2 3.3Å
128	D	64.3	Low	89.2	Confident	136 Å²	136	45.2 Å²	45.2	73%	0.727	25%	0.251	S	S	*	.	S	Bend	trans	-50.2	165.7	167.2	-75.1	-37.2	0	0	0	113.3	N130	D128-N130 PolarHBondContact O-N 2.96Å
129	M	74.6	Confident	88.9	Confident	75 Å²	75	46.4 Å²	46.4	37%	0.369	26%	0.257	S	S	.	.			trans	-60.9	98.9	-177.5	-173.3	166.3	74	0	0	112.2	M121 L131 L278 I295	M121-M129 HydrophobicContact CE-CG 4.37Å; M129-L131 PolarHBondContact O-N 2.87Å; M129-L278 HydrophobicContact CE-CB 4.29Å; M129-L278 HydrophobicContact CE-CD1 3.63Å; M129-L278 HydrophobicContact CG-CD1 4.14Å; M129-L278 HydrophobicContact SD-CB 3.84Å; M129-L278 HydrophobicContact SD-CD1 3.26Å; M129-L278 WeakPolarHBondContact SD-CD1 3.19Å; M129-L278 HydrophobicContact SD-CG 4.15Å; M129-I295 HydrophobicContact CB-CD1 4.49Å; M129-I295 HydrophobicContact CG-CD1 4.19Å; M129-I295 HydrophobicContact SD-CD1 4.22Å; M129-I295 HydrophobicContact SD-CG2 3.9Å
130	N	86.2	Confident	88.6	Confident	65 Å²	65	56.9 Å²	56.9	35%	0.348	30%	0.297	S	S	.	.			trans	-94.9	76.7	-179.5	-74	-30	0	0	0	111.6	S127 D128	S127-N130 PolarHBondContact OG-ND2 3.3Å; D128-N130 PolarHBondContact O-N 2.96Å
131	L	95.3	Very high	88.4	Confident	11 Å²	11	57.5 Å²	57.5	6%	0.058	30%	0.3	C	S	.	.			trans	-77.8	120.2	170.6	-179.6	73.7	0	0	0	110.2	M119 M121 M129 M203 T271 V274 K275	M119-L131 HydrophobicContact CB-CD1 3.86Å; M119-L131 HydrophobicContact SD-CD1 4.35Å; M119-L131 HydrophobicContact SD-CD2 4Å; M119-L131 HydrophobicContact SD-CG 4.44Å; M121-L131 HydrophobicContact CE-CB 4.15Å; M121-L131 HydrophobicContact CE-CD1 3.63Å; M121-L131 HydrophobicContact CE-CG 4.46Å; M129-L131 PolarHBondContact O-N 2.87Å; L131-M203 HydrophobicContact CD1-CE 4.1Å; L131-M203 HydrophobicContact CD1-SD 3.72Å; L131-T271 HydrophobicContact CD2-CG2 4.26Å; L131-V274 HydrophobicContact CD1-CG1 4.44Å; L131-V274 HydrophobicContact CD2-CB 4.21Å; L131-V274 HydrophobicContact CD2-CG1 3.73Å; L131-K275 HydrophobicContact CD2-CG 3.71Å
132	R	97.3	Very high	88.3	Confident	22 Å²	22	62.1 Å²	62.1	8%	0.083	32%	0.321	C	S	.	.	B	Isolated β-bridge	trans	-97	132.8	175.1	-54.4	-60.4	-177.8	-141.6	-4.5	110.5	Y103 M119 W120 D139 D161	Y103-R132 HydrophobicContact CD2-CB 4.47Å; Y103-R132 HydrophobicContact CE2-CB 4.27Å; M119-R132 WeakPolarHBondContact CA-O 3.11Å; M119-R132 VanDerWaalsContact CB-O 3.26Å; M119-R132 WeakPolarHBondContact CB-O 3.3Å; W120-R132 HydrophobicContact CD2-CB 3.57Å; W120-R132 HydrophobicContact CD2-CG 4.1Å; W120-R132 VanDerWaalsContact CE2-CG 3.46Å; W120-R132 HydrophobicContact CE3-CB 3.72Å; W120-R132 HydrophobicContact CG-CB 4.29Å; W120-R132 HydrophobicContact CH2-CB 3.55Å; W120-R132 HydrophobicContact CH2-CG 4.22Å; W120-R132 HydrophobicContact CZ2-CB 3.37Å; W120-R132 HydrophobicContact CZ2-CG 3.55Å; W120-R132 HydrophobicContact CZ3-CB 3.71Å; W120-R132 PolarHBondContact N-O 3.43Å; W120-R132 VanDerWaalsContact N-O 3.09Å; W120-R132 PolarHBondContact O-N 3.15Å; R132-D139 VanDerWaalsContact CD-CG 3.5Å; R132-D139 WeakPolarHBondContact CD-OD1 3.23Å; R132-D139 IonicContact CZ-OD1 2.95Å; R132-D139 IonicContact NE-OD1 3.19Å; R132-D139 IonicContact NH1-OD1 2.79Å; R132-D139 PolarHBondContact NH1-OD1 2.8Å; R132-D161 IonicContact NE-OD2 3.12Å
133	H	97.9	Very high	88.3	Confident	5 Å²	5	59.4 Å²	59.4	2%	0.023	31%	0.313	C	S	.	.			trans	-151.4	-67	177.6	176.1	-142.7	0	0	0	112.3	Y103 M119 Y205 T271	Y103-H133 WeakPolarHBondContact CD2-O 3.44Å; Y103-H133 PolarHBondContact N-O 2.92Å; M119-H133 HydrophobicContact CB-CB 4.26Å; M119-H133 HydrophobicContact CE-CB 4.46Å; M119-H133 HydrophobicContact CG-CB 3.78Å; M119-H133 HydrophobicContact SD-CB 3.98Å; H133-Y205 AromaticContact CD2-CE1 3.91Å; H133-Y205 PolarHBondContact CE1-OH 2.87Å; H133-Y205 AromaticContact NE2-CE1 3.39Å; H133-Y205 WeakPolarHBondContact NE2-CE1 3.38Å; H133-Y205 AromaticContact NE2-CZ 3.43Å; H133-Y205 PolarHBondContact NE2-OH 2.8Å; H133-T271 HydrophobicContact CB-CG2 4.31Å; H133-T271 PolarHBondContact ND1-OG1 2.93Å
134	T	97.1	Very high	88.5	Confident	26 Å²	26	59.8 Å²	59.8	16%	0.16	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-81.9	147.8	173.2	51.7	0	0	0	0	110.3	Q101 V102 Y103 E136 K487	Q101-T134 CarbonylContact O-C 3.42Å; Q101-T134 VanDerWaalsContact O-CA 3.23Å; Q101-T134 WeakPolarHBondContact O-CA 3.43Å; Q101-T134 WeakPolarHBondContact O-CB 3.34Å; V102-T134 HydrophobicContact CG1-CG2 4.31Å; Y103-T134 WeakPolarHBondContact CE2-O 3.39Å; T134-E136 WeakPolarHBondContact CB-OE1 3.24Å; T134-E136 PolarHBondContact O-N 2.95Å; T134-E136 VanDerWaalsContact O-N 3.09Å; T134-E136 PolarHBondContact OG1-OE1 3.05Å; T134-K487 PolarHBondContact OG1-NZ 3.32Å
135	C	96.8	Very high	88.8	Confident	1 Å²	1	57 Å²	57	1%	0.007	31%	0.305	C	S	.	.			trans	-67	102.7	177.1	-64.7	0	0	0	0	109.7	Q101 V102 Y103 Y144 R431 S432	Q101-C135 PolarHBondContact O-N 3.45Å; V102-C135 VanDerWaalsContact C-SG 3.52Å; Y103-C135 HydrophobicContact CE1-CB 4.37Å; C135-Y144 WeakPolarHBondContact CB-OH 3.39Å; C135-R431 HydrophobicContact CB-CB 4.46Å; C135-R431 WeakPolarHBondContact CB-O 3.44Å; C135-S432 VanDerWaalsContact O-CA 3.26Å; C135-S432 WeakPolarHBondContact O-CA 3.31Å
136	E	94.9	Very high	89.7	Confident	65 Å²	65	55.1 Å²	55.1	30%	0.304	29%	0.291	S	S	.	.			trans	-116.4	128.2	176.8	-54.7	-56.1	146.9	0	0	110.3	Y103 T134 G138 D139 K487	Y103-E136 PolarHBondContact OH-N 2.91Å; T134-E136 WeakPolarHBondContact CB-OE1 3.24Å; T134-E136 PolarHBondContact O-N 2.95Å; T134-E136 VanDerWaalsContact O-N 3.09Å; T134-E136 PolarHBondContact OG1-OE1 3.05Å; E136-G138 PolarHBondContact O-N 3.37Å; E136-G138 VanDerWaalsContact O-N 3.16Å; E136-D139 VanDerWaalsContact O-CB 3.31Å; E136-D139 WeakPolarHBondContact O-CB 3.43Å; E136-D139 PolarHBondContact O-N 3.07Å; E136-K487 IonicContact OE1-NZ 3.39Å; E136-K487 PolarHBondContact OE1-NZ 2.99Å; E136-K487 IonicContact OE2-NZ 3.54Å
137	Q	93.4	Very high	91.1	Very high	60 Å²	60	49.9 Å²	49.9	28%	0.28	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-59.3	-28.5	170.9	-70.6	-175.2	-73.9	0	0	111.5	D139 R140 G826 H828	Q137-D139 PolarHBondContact O-N 3.03Å; Q137-R140 PolarHBondContact O-N 3.25Å; Q137-G826 PolarHBondContact NE2-O 3.44Å; Q137-H828 PolarHBondContact NE2-CD2 2.86Å; Q137-H828 VanDerWaalsContact NE2-N 3.17Å; Q137-H828 PolarHBondContact NE2-NE2 3.42Å; Q137-H828 VanDerWaalsContact NE2-NE2 3.14Å
138	G	93.1	Very high	92.8	Very high	64 Å²	64	48.8 Å²	48.8	66%	0.66	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-64	-17.1	174.2	0	0	0	0	0	114.8	E136 R140	E136-G138 PolarHBondContact O-N 3.37Å; E136-G138 VanDerWaalsContact O-N 3.16Å; G138-R140 PolarHBondContact O-N 3.49Å
139	D	92.8	Very high	94.5	Very high	24 Å²	24	42.6 Å²	42.6	13%	0.128	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-69.7	-19.7	175.2	-73.8	-30	0	0	0	112.7	Y103 R132 E136 Q137 L141	Y103-D139 VanDerWaalsContact CE2-OD2 3.3Å; Y103-D139 WeakPolarHBondContact CE2-OD2 3.42Å; Y103-D139 WeakPolarHBondContact OH-CB 3.42Å; Y103-D139 PolarHBondContact OH-OD2 2.9Å; R132-D139 VanDerWaalsContact CD-CG 3.5Å; R132-D139 WeakPolarHBondContact CD-OD1 3.23Å; R132-D139 IonicContact CZ-OD1 2.95Å; R132-D139 IonicContact NE-OD1 3.19Å; R132-D139 IonicContact NH1-OD1 2.79Å; R132-D139 PolarHBondContact NH1-OD1 2.8Å; E136-D139 VanDerWaalsContact O-CB 3.31Å; E136-D139 WeakPolarHBondContact O-CB 3.43Å; E136-D139 PolarHBondContact O-N 3.07Å; Q137-D139 PolarHBondContact O-N 3.03Å; D139-L141 VanDerWaalsContact C-N 3.26Å; D139-L141 HydrophobicContact CB-CD2 4.45Å; D139-L141 HydrophobicContact CB-CG 4.14Å; D139-L141 PolarHBondContact O-N 3.31Å
140	R	91.9	Very high	95.6	Very high	221 Å²	221	40 Å²	40	83%	0.834	21%	0.205	S	C	*	.			trans	52.9	39.7	177.9	-58	179.2	-175.8	-175.9	0.9	113.5	Q137 G138	Q137-R140 PolarHBondContact O-N 3.25Å; G138-R140 PolarHBondContact O-N 3.49Å
141	L	94.4	Very high	96.1	Very high	12 Å²	12	37.4 Å²	37.4	6%	0.063	20%	0.195	C	C	.	.			trans	-62.8	139.5	173.1	-59.5	-174.1	0	0	0	110.4	Y103 W120 D139 G143 Y144 I159 D161 Y812	Y103-L141 HydrophobicContact CD1-CD1 4.25Å; Y103-L141 HydrophobicContact CE1-CD1 3.4Å; Y103-L141 VanDerWaalsContact CE1-CD1 3.4Å; Y103-L141 HydrophobicContact CE2-CD1 4.38Å; Y103-L141 VanDerWaalsContact CZ-CD1 3.48Å; Y103-L141 WeakPolarHBondContact OH-CD1 3.3Å; W120-L141 HydrophobicContact CH2-CD1 4.48Å; W120-L141 HydrophobicContact CZ2-CD1 4.25Å; D139-L141 VanDerWaalsContact C-N 3.26Å; D139-L141 HydrophobicContact CB-CD2 4.45Å; D139-L141 HydrophobicContact CB-CG 4.14Å; D139-L141 PolarHBondContact O-N 3.31Å; L141-G143 PolarHBondContact O-N 2.97Å; L141-Y144 HydrophobicContact CD1-CD1 4.09Å; L141-Y144 HydrophobicContact CD1-CG 4.45Å; L141-I159 HydrophobicContact CD1-CG2 3.79Å; L141-D161 HydrophobicContact CD2-CB 3.9Å; L141-Y812 PolarHBondContact O-OH 3.43Å
142	Q	93.6	Very high	96.2	Very high	100 Å²	100	38.2 Å²	38.2	47%	0.467	20%	0.199	S	C	.	.	S	Bend	trans	-61.8	-28	178.7	-71.4	171.3	-2.5	0	0	112.3	R160 N162	Q142-R160 HydrophobicContact CB-CB 3.9Å; Q142-R160 PolarHBondContact N-O 2.78Å; Q142-R160 VanDerWaalsContact N-O 3.12Å; Q142-N162 PolarHBondContact NE2-O 3.26Å; Q142-N162 VanDerWaalsContact NE2-O 3.08Å
143	G	95	Very high	96.2	Very high	8 Å²	8	38.3 Å²	38.3	8%	0.082	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.8	139.5	178.2	0	0	0	0	0	110	L141 R160 Y812	L141-G143 PolarHBondContact O-N 2.97Å; G143-R160 PolarHBondContact O-N 3.17Å; G143-Y812 VanDerWaalsContact CA-OH 3.28Å; G143-Y812 WeakPolarHBondContact CA-OH 3.32Å; G143-Y812 PolarHBondContact N-OH 3.29Å
144	Y	97.6	Very high	96.2	Very high	12 Å²	12	38.1 Å²	38.1	5%	0.047	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	144.2	164.8	77.7	-84.3	0	0	0	111	Y103 C135 L141 E158 Y812 P829	Y103-Y144 HydrophobicContact CD1-CD1 4.44Å; Y103-Y144 AromaticContact CD1-CD2 3.75Å; Y103-Y144 HydrophobicContact CD1-CD2 3.75Å; Y103-Y144 AromaticContact CD1-CE2 3.89Å; Y103-Y144 HydrophobicContact CD1-CE2 3.89Å; Y103-Y144 HydrophobicContact CD1-CG 4.04Å; Y103-Y144 AromaticContact CE1-CD1 3.77Å; Y103-Y144 HydrophobicContact CE1-CD1 3.77Å; Y103-Y144 AromaticContact CE1-CD2 3.88Å; Y103-Y144 HydrophobicContact CE1-CD2 3.88Å; Y103-Y144 AromaticContact CE1-CE1 3.79Å; Y103-Y144 HydrophobicContact CE1-CE1 3.79Å; Y103-Y144 AromaticContact CE1-CE2 3.87Å; Y103-Y144 HydrophobicContact CE1-CE2 3.87Å; Y103-Y144 AromaticContact CE1-CG 3.83Å; Y103-Y144 HydrophobicContact CE1-CG 3.83Å; Y103-Y144 AromaticContact CE1-CZ 3.82Å; C135-Y144 WeakPolarHBondContact CB-OH 3.39Å; L141-Y144 HydrophobicContact CD1-CD1 4.09Å; L141-Y144 HydrophobicContact CD1-CG 4.45Å; Y144-E158 VanDerWaalsContact CA-O 3.23Å; Y144-E158 WeakPolarHBondContact CA-O 3.06Å; Y144-Y812 AromaticContact CD1-CE1 3.61Å; Y144-Y812 HydrophobicContact CD1-CE1 3.61Å; Y144-Y812 AromaticContact CD1-CZ 3.96Å; Y144-Y812 WeakPolarHBondContact CD1-OH 2.85Å; Y144-Y812 AromaticContact CE1-CE1 3.86Å; Y144-Y812 HydrophobicContact CE1-CE1 3.86Å; Y144-Y812 HydrophobicContact CG-CE1 4.38Å; Y144-Y812 PolarHBondContact N-OH 2.86Å; Y144-P829 HydrophobicContact CE1-CG 4.29Å; Y144-P829 HydrophobicContact CE2-CG 3.99Å; Y144-P829 VanDerWaalsContact CZ-CD 3.41Å; Y144-P829 WeakPolarHBondContact OH-CD 3.27Å
145	G	97.4	Very high	96.3	Very high	7 Å²	7	36.9 Å²	36.9	7%	0.072	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.1	164.4	176.1	0	0	0	0	0	113.9	Q157 E158 N394	G145-Q157 WeakPolarHBondContact O-CA 3.31Å; G145-Q157 WeakPolarHBondContact O-CG 3.41Å; G145-E158 PolarHBondContact N-O 2.84Å; G145-E158 PolarHBondContact O-N 2.76Å; G145-N394 WeakPolarHBondContact CA-OD1 2.68Å
146	W	98.6	Very high	96.4	Very high	3 Å²	3	37.3 Å²	37.3	1%	0.011	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	124.5	173.7	-62.6	102.3	0	0	0	110.5	F104 H149 Q157 F170 A390 N394 G397	F104-W146 AromaticContact CD2-CH2 3.93Å; F104-W146 HydrophobicContact CD2-CH2 3.93Å; F104-W146 HydrophobicContact CD2-CZ2 4.4Å; F104-W146 AromaticContact CE2-CH2 3.81Å; F104-W146 HydrophobicContact CE2-CH2 3.81Å; W146-H149 HydrophobicContact CB-CB 4.22Å; W146-H149 HydrophobicContact CD2-CB 4.39Å; W146-H149 AromaticContact CD2-CD2 3.65Å; W146-H149 AromaticContact CE2-CD2 3.86Å; W146-H149 HydrophobicContact CE3-CB 4.34Å; W146-H149 AromaticContact CE3-CD2 3.56Å; W146-H149 HydrophobicContact CG-CB 4.37Å; W146-H149 AromaticContact CH2-CD2 3.89Å; W146-H149 AromaticContact CZ2-CD2 3.98Å; W146-H149 AromaticContact CZ3-CD2 3.71Å; W146-Q157 HydrophobicContact CD2-CB 3.78Å; W146-Q157 HydrophobicContact CE3-CB 3.45Å; W146-Q157 VanDerWaalsContact CE3-CB 3.45Å; W146-Q157 HydrophobicContact CG-CB 4.36Å; W146-Q157 HydrophobicContact CH2-CB 4.44Å; W146-Q157 HydrophobicContact CZ3-CB 3.8Å; W146-F170 AromaticContact CH2-CD1 3.84Å; W146-F170 HydrophobicContact CH2-CD1 3.84Å; W146-F170 AromaticContact CH2-CE1 3.62Å; W146-F170 HydrophobicContact CH2-CE1 3.62Å; W146-F170 AromaticContact CZ3-CD1 3.96Å; W146-F170 HydrophobicContact CZ3-CD1 3.96Å; W146-F170 AromaticContact CZ3-CE1 3.77Å; W146-F170 HydrophobicContact CZ3-CE1 3.77Å; W146-A390 WeakPolarHBondContact O-CA 3.49Å; W146-N394 PolarHBondContact N-ND2 2.68Å; W146-N394 PolarHBondContact N-OD1 2.91Å; W146-N394 PolarHBondContact O-ND2 2.87Å; W146-G397 PolarHBondContact NE1-O 2.89Å
147	L	98.3	Very high	96.6	Very high	69 Å²	69	34.2 Å²	34.2	36%	0.361	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	-35.8	174.1	-58.5	-177.2	0	0	0	111.3	V156 E158 S393	L147-V156 PolarHBondContact N-O 2.75Å; L147-E158 HydrophobicContact CD1-CB 3.99Å; L147-E158 HydrophobicContact CG-CB 4.33Å; L147-S393 PolarHBondContact O-OG 2.92Å
148	M	98.8	Very high	96.8	Very high	39 Å²	39	33.6 Å²	33.6	19%	0.192	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	128	174.2	-71.1	-179.7	-96.5	0	0	108.3	F154 G155 V156 K362 F365 S393	M148-F154 HydrophobicContact CB-CE2 3.88Å; M148-F154 HydrophobicContact CB-CZ 4.01Å; M148-G155 CarbonylContact O-C 3.56Å; M148-G155 VanDerWaalsContact O-CA 3.27Å; M148-G155 WeakPolarHBondContact O-CA 3.38Å; M148-V156 HydrophobicContact CB-CB 4.36Å; M148-V156 PolarHBondContact N-O 2.72Å; M148-V156 PolarHBondContact O-N 2.83Å; M148-K362 HydrophobicContact CE-CD 4.18Å; M148-K362 HydrophobicContact CE-CG 4.06Å; M148-K362 HydrophobicContact SD-CB 4.2Å; M148-K362 HydrophobicContact SD-CG 3.92Å; M148-F365 HydrophobicContact CB-CD1 4.31Å; M148-F365 HydrophobicContact CB-CE1 4.28Å; M148-F365 HydrophobicContact CG-CD1 3.91Å; M148-F365 HydrophobicContact CG-CE1 3.83Å; M148-F365 HydrophobicContact SD-CD1 4.19Å; M148-S393 WeakPolarHBondContact CA-OG 3.43Å
149	H	98.8	Very high	97.1	Very high	6 Å²	6	30.6 Å²	30.6	3%	0.028	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	122.5	175.1	-167.7	-72.1	0	0	0	107.6	S97 W146 G151 F170 S393 L396	S97-H149 PolarHBondContact OG-NE2 3.03Å; W146-H149 HydrophobicContact CB-CB 4.22Å; W146-H149 HydrophobicContact CD2-CB 4.39Å; W146-H149 AromaticContact CD2-CD2 3.65Å; W146-H149 AromaticContact CE2-CD2 3.86Å; W146-H149 HydrophobicContact CE3-CB 4.34Å; W146-H149 AromaticContact CE3-CD2 3.56Å; W146-H149 HydrophobicContact CG-CB 4.37Å; W146-H149 AromaticContact CH2-CD2 3.89Å; W146-H149 AromaticContact CZ2-CD2 3.98Å; W146-H149 AromaticContact CZ3-CD2 3.71Å; H149-G151 WeakPolarHBondContact ND1-CA 3.45Å; H149-G151 PolarHBondContact ND1-N 3.43Å; H149-F170 AromaticContact CD2-CE1 3.71Å; H149-F170 AromaticContact CD2-CZ 4Å; H149-F170 AromaticContact NE2-CE1 3.48Å; H149-F170 WeakPolarHBondContact NE2-CE1 3.43Å; H149-F170 AromaticContact NE2-CZ 3.45Å; H149-F170 WeakPolarHBondContact NE2-CZ 3.49Å; H149-S393 WeakPolarHBondContact CB-O 3.32Å; H149-S393 VanDerWaalsContact N-CB 3.34Å; H149-S393 PolarHBondContact N-OG 2.9Å; H149-L396 WeakPolarHBondContact O-CD1 3.48Å
150	D	98.3	Very high	97.3	Very high	19 Å²	19	35 Å²	35	10%	0.102	16%	0.162	C	C	.	.			trans	-92	-7.3	-177.2	69.6	-15.2	0	0	0	113.5	L152 T153 F154 F365 W452	D150-L152 PolarHBondContact O-N 2.84Å; D150-L152 PolarHBondContact OD1-N 3.06Å; D150-T153 VanDerWaalsContact CG-N 3.29Å; D150-T153 PolarHBondContact OD1-N 2.79Å; D150-T153 WeakPolarHBondContact OD2-CB 3.38Å; D150-T153 PolarHBondContact OD2-N 2.96Å; D150-T153 PolarHBondContact OD2-OG1 3.49Å; D150-F154 HydrophobicContact CB-CD1 4.1Å; D150-F154 HydrophobicContact CB-CE1 3.86Å; D150-F154 PolarHBondContact N-O 2.91Å; D150-F154 PolarHBondContact OD1-N 3.12Å; D150-F154 VanDerWaalsContact OD1-N 3.12Å; D150-F365 HydrophobicContact CB-CD2 4.23Å; D150-W452 HydrophobicContact CB-CZ2 4Å; D150-W452 PolarHBondContact O-NE1 2.9Å
151	G	97.3	Very high	97.4	Very high	12 Å²	12	24.7 Å²	24.7	12%	0.124	12%	0.124	C	C	.	.	S	Bend	trans	83.7	-4	-176.7	0	0	0	0	0	113.7	H149	H149-G151 WeakPolarHBondContact ND1-CA 3.45Å; H149-G151 PolarHBondContact ND1-N 3.43Å
152	L	96.6	Very high	97.1	Very high	28 Å²	28	28.6 Å²	28.6	15%	0.147	14%	0.144	C	C	.	.	S	Bend	trans	-136.8	-49.2	-166	-67.2	-178.7	0	0	0	114.5	R93 D150 K172	R93-L152 HydrophobicContact CG-CD2 3.41Å; R93-L152 VanDerWaalsContact CG-CD2 3.41Å; D150-L152 PolarHBondContact O-N 2.84Å; D150-L152 PolarHBondContact OD1-N 3.06Å; L152-K172 WeakPolarHBondContact O-CE 3.39Å; L152-K172 PolarHBondContact O-NZ 2.92Å
153	T	97.8	Very high	97.1	Very high	24 Å²	24	24.8 Å²	24.8	15%	0.147	13%	0.127	C	C	.	.	S	Bend	trans	-123.9	-27.4	-165.7	71.3	0	0	0	0	113.8	D150 V171 K172	D150-T153 VanDerWaalsContact CG-N 3.29Å; D150-T153 PolarHBondContact OD1-N 2.79Å; D150-T153 WeakPolarHBondContact OD2-CB 3.38Å; D150-T153 PolarHBondContact OD2-N 2.96Å; D150-T153 PolarHBondContact OD2-OG1 3.49Å; T153-V171 CarbonylContact O-C 3.55Å; T153-V171 WeakPolarHBondContact O-CA 3.44Å; T153-K172 PolarHBondContact O-N 3.07Å
154	F	98.7	Very high	97.1	Very high	1 Å²	1	24.4 Å²	24.4	0%	0.004	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	166	-177.8	86.9	-68.6	0	0	0	113.1	M148 D150 V156 F170 V171 L358 R361 K362 F365	M148-F154 HydrophobicContact CB-CE2 3.88Å; M148-F154 HydrophobicContact CB-CZ 4.01Å; D150-F154 HydrophobicContact CB-CD1 4.1Å; D150-F154 HydrophobicContact CB-CE1 3.86Å; D150-F154 PolarHBondContact N-O 2.91Å; D150-F154 PolarHBondContact OD1-N 3.12Å; D150-F154 VanDerWaalsContact OD1-N 3.12Å; F154-V156 HydrophobicContact CD2-CG2 4.3Å; F154-V156 HydrophobicContact CE2-CG2 4.23Å; F154-F170 WeakPolarHBondContact CA-O 3.44Å; F154-F170 VanDerWaalsContact CB-O 3.3Å; F154-F170 WeakPolarHBondContact CB-O 3.16Å; F154-V171 HydrophobicContact CB-CG2 4.11Å; F154-L358 HydrophobicContact CD2-CD1 3.92Å; F154-R361 HydrophobicContact CB-CB 4.01Å; F154-R361 HydrophobicContact CB-CG 4.2Å; F154-R361 HydrophobicContact CD1-CB 3.52Å; F154-R361 HydrophobicContact CD1-CG 4.26Å; F154-R361 HydrophobicContact CD2-CB 4.04Å; F154-R361 HydrophobicContact CE1-CB 3.92Å; F154-R361 HydrophobicContact CE2-CB 4.41Å; F154-R361 HydrophobicContact CG-CB 3.57Å; F154-R361 HydrophobicContact CG-CG 4.27Å; F154-R361 HydrophobicContact CZ-CB 4.35Å; F154-K362 HydrophobicContact CE2-CG 3.94Å; F154-F365 HydrophobicContact CE1-CB 3.76Å; F154-F365 HydrophobicContact CE1-CD2 4.32Å; F154-F365 HydrophobicContact CE1-CG 4.29Å; F154-F365 HydrophobicContact CZ-CB 3.58Å; F154-F365 HydrophobicContact CZ-CD2 4.29Å; F154-F365 AromaticContact CZ-CG 3.96Å; F154-F365 HydrophobicContact CZ-CG 3.96Å
155	G	98.7	Very high	97.1	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	151	169.4	0	0	0	0	0	112.5	M148 E169 F170	M148-G155 CarbonylContact O-C 3.56Å; M148-G155 VanDerWaalsContact O-CA 3.27Å; M148-G155 WeakPolarHBondContact O-CA 3.38Å; G155-E169 CarbonylContact O-C 3.55Å; G155-E169 VanDerWaalsContact O-CA 3.26Å; G155-E169 WeakPolarHBondContact O-CA 3.19Å; G155-F170 VanDerWaalsContact CA-CE1 3.48Å; G155-F170 VanDerWaalsContact N-CE1 3.33Å; G155-F170 PolarHBondContact N-O 2.8Å; G155-F170 PolarHBondContact O-N 2.89Å
156	V	98.9	Very high	97.2	Very high	9 Å²	9	24.4 Å²	24.4	6%	0.055	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	114.5	176.3	-179.7	0	0	0	0	107.2	L147 M148 F154 T167 E169 L358	L147-V156 PolarHBondContact N-O 2.75Å; M148-V156 HydrophobicContact CB-CB 4.36Å; M148-V156 PolarHBondContact N-O 2.72Å; M148-V156 PolarHBondContact O-N 2.83Å; F154-V156 HydrophobicContact CD2-CG2 4.3Å; F154-V156 HydrophobicContact CE2-CG2 4.23Å; V156-T167 HydrophobicContact CG1-CG2 4.25Å; V156-E169 HydrophobicContact CG1-CG 4.25Å; V156-E169 HydrophobicContact CG2-CG 4.33Å; V156-L358 HydrophobicContact CG2-CD1 4.09Å
157	Q	98.7	Very high	97.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	144.4	176.5	157.2	-178.3	-112.4	0	0	110.1	Y103 G145 W146 I159 T167 T168	Y103-Q157 PolarHBondContact O-NE2 2.92Å; Y103-Q157 PolarHBondContact O-OE1 2.79Å; G145-Q157 WeakPolarHBondContact O-CA 3.31Å; G145-Q157 WeakPolarHBondContact O-CG 3.41Å; W146-Q157 HydrophobicContact CD2-CB 3.78Å; W146-Q157 HydrophobicContact CE3-CB 3.45Å; W146-Q157 VanDerWaalsContact CE3-CB 3.45Å; W146-Q157 HydrophobicContact CG-CB 4.36Å; W146-Q157 HydrophobicContact CH2-CB 4.44Å; W146-Q157 HydrophobicContact CZ3-CB 3.8Å; Q157-I159 HydrophobicContact CG-CG1 4Å; Q157-T167 CarbonylContact O-C 3.58Å; Q157-T167 WeakPolarHBondContact O-CA 3.12Å; Q157-T168 WeakPolarHBondContact CB-OG1 3.48Å; Q157-T168 PolarHBondContact N-O 2.85Å; Q157-T168 PolarHBondContact NE2-OG1 3.06Å; Q157-T168 PolarHBondContact O-N 2.86Å
158	E	98.4	Very high	97.2	Very high	48 Å²	48	22.2 Å²	22.2	22%	0.224	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	139.5	172.2	-169.8	173.5	102.6	0	0	109.4	Y144 G145 L147 R160 T165 L166	Y144-E158 VanDerWaalsContact CA-O 3.23Å; Y144-E158 WeakPolarHBondContact CA-O 3.06Å; G145-E158 PolarHBondContact N-O 2.84Å; G145-E158 PolarHBondContact O-N 2.76Å; L147-E158 HydrophobicContact CD1-CB 3.99Å; L147-E158 HydrophobicContact CG-CB 4.33Å; E158-R160 HydrophobicContact CG-CG 4.43Å; E158-R160 IonicContact OE1-CZ 2.57Å; E158-R160 IonicContact OE1-NE 3.91Å; E158-R160 PolarHBondContact OE1-NE 3.04Å; E158-R160 IonicContact OE1-NH2 3.36Å; E158-R160 PolarHBondContact OE1-NH2 2.8Å; E158-T165 HydrophobicContact CG-CG2 3.39Å; E158-L166 CarbonylContact C-O 3.55Å
159	I	98.4	Very high	97.2	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	115.3	176.7	-50.4	176.5	0	0	0	107.3	W120 L141 Q157 T165 L166 T168	W120-I159 HydrophobicContact CH2-CD1 4.08Å; W120-I159 HydrophobicContact CH2-CG2 3.96Å; W120-I159 HydrophobicContact CZ2-CG2 3.78Å; W120-I159 HydrophobicContact CZ3-CD1 4.31Å; L141-I159 HydrophobicContact CD1-CG2 3.79Å; Q157-I159 HydrophobicContact CG-CG1 4Å; I159-T165 CarbonylContact O-C 3.58Å; I159-T165 WeakPolarHBondContact O-CA 3.13Å; I159-L166 HydrophobicContact CB-CB 4.3Å; I159-L166 PolarHBondContact N-O 2.9Å; I159-L166 PolarHBondContact O-N 2.91Å; I159-T168 HydrophobicContact CD1-CG2 4.01Å
160	R	96.8	Very high	97.2	Very high	116 Å²	116	21.1 Å²	21.1	44%	0.438	11%	0.107	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	109.4	178.9	-60.9	-177.7	-175.9	178.5	2.3	109.6	Q142 G143 E158	Q142-R160 HydrophobicContact CB-CB 3.9Å; Q142-R160 PolarHBondContact N-O 2.78Å; Q142-R160 VanDerWaalsContact N-O 3.12Å; G143-R160 PolarHBondContact O-N 3.17Å; E158-R160 HydrophobicContact CG-CG 4.43Å; E158-R160 IonicContact OE1-CZ 2.57Å; E158-R160 IonicContact OE1-NE 3.91Å; E158-R160 PolarHBondContact OE1-NE 3.04Å; E158-R160 IonicContact OE1-NH2 3.36Å; E158-R160 PolarHBondContact OE1-NH2 2.8Å
161	D	93.8	Very high	97.2	Very high	6 Å²	6	20.2 Å²	20.2	3%	0.032	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	103	-176.7	-170.5	-6.2	0	0	0	109.5	W120 R132 L141 D163 F164	W120-D161 PolarHBondContact NE1-OD2 3.07Å; R132-D161 IonicContact NE-OD2 3.12Å; L141-D161 HydrophobicContact CD2-CB 3.9Å; D161-D163 PolarHBondContact O-N 3.12Å; D161-F164 CarbonylContact C-O 3.56Å; D161-F164 HydrophobicContact CB-CE1 4.21Å; D161-F164 HydrophobicContact CB-CE2 3.92Å; D161-F164 HydrophobicContact CB-CZ 3.72Å; D161-F164 PolarHBondContact N-O 3.06Å; D161-F164 VanDerWaalsContact O-CD1 3.32Å; D161-F164 WeakPolarHBondContact O-CD1 3.22Å; D161-F164 WeakPolarHBondContact O-CE1 3.13Å; D161-F164 PolarHBondContact O-N 2.9Å; D161-F164 VanDerWaalsContact O-N 3.09Å
162	N	89.1	Confident	97.2	Very high	93 Å²	93	20.5 Å²	20.5	50%	0.497	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	-93.9	178.4	-65	-66.9	0	0	0	114.3	Q142 H191	Q142-N162 PolarHBondContact NE2-O 3.26Å; Q142-N162 VanDerWaalsContact NE2-O 3.08Å; N162-H191 PolarHBondContact O-ND1 2.9Å
163	D	92.6	Very high	97.2	Very high	21 Å²	21	21.3 Å²	21.3	11%	0.112	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111	8.9	-171.6	62.2	-20	0	0	0	113.4	R122 D161 H191 A194	R122-D163 WeakPolarHBondContact CD-OD1 3.41Å; R122-D163 IonicContact CZ-OD1 2.83Å; R122-D163 IonicContact CZ-OD2 3.68Å; R122-D163 VanDerWaalsContact CZ-OD2 3.23Å; R122-D163 VanDerWaalsContact NE-CG 3.34Å; R122-D163 IonicContact NE-OD1 2.85Å; R122-D163 PolarHBondContact NE-OD1 2.7Å; R122-D163 IonicContact NE-OD2 2.72Å; R122-D163 PolarHBondContact NE-OD2 3.21Å; R122-D163 IonicContact NH2-OD2 3.81Å; R122-D163 PolarHBondContact NH2-OD2 2.9Å; D161-D163 PolarHBondContact O-N 3.12Å; D163-H191 PolarHBondContact O-N 3.25Å; D163-A194 HydrophobicContact CB-CB 3.9Å
164	F	95.4	Very high	97	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	161.9	173.7	64.1	-85.3	0	0	0	113.3	W120 R122 D161 L166 K189 H191 P198 I200	W120-F164 AromaticContact CD1-CZ 3.86Å; W120-F164 AromaticContact NE1-CZ 3.93Å; R122-F164 HydrophobicContact CB-CE1 4.15Å; R122-F164 HydrophobicContact CG-CE1 4.29Å; D161-F164 CarbonylContact C-O 3.56Å; D161-F164 HydrophobicContact CB-CE1 4.21Å; D161-F164 HydrophobicContact CB-CE2 3.92Å; D161-F164 HydrophobicContact CB-CZ 3.72Å; D161-F164 PolarHBondContact N-O 3.06Å; D161-F164 VanDerWaalsContact O-CD1 3.32Å; D161-F164 WeakPolarHBondContact O-CD1 3.22Å; D161-F164 WeakPolarHBondContact O-CE1 3.13Å; D161-F164 PolarHBondContact O-N 2.9Å; D161-F164 VanDerWaalsContact O-N 3.09Å; F164-L166 HydrophobicContact CD2-CD2 4Å; F164-L166 HydrophobicContact CD2-CG 3.93Å; F164-L166 HydrophobicContact CE2-CD1 4.01Å; F164-L166 HydrophobicContact CE2-CD2 4.02Å; F164-L166 HydrophobicContact CE2-CG 3.73Å; F164-K189 CarbonylContact C-O 3.56Å; F164-K189 VanDerWaalsContact CA-O 3.29Å; F164-K189 WeakPolarHBondContact CA-O 3.37Å; F164-K189 WeakPolarHBondContact CB-O 3.42Å; F164-H191 PolarHBondContact O-NE2 3.45Å; F164-P198 HydrophobicContact CB-CG 3.95Å; F164-P198 HydrophobicContact CD1-CB 4.35Å; F164-P198 HydrophobicContact CD1-CG 4.21Å; F164-P198 HydrophobicContact CG-CG 4.45Å; F164-I200 HydrophobicContact CB-CD1 4.22Å; F164-I200 HydrophobicContact CD1-CD1 4.04Å; F164-I200 HydrophobicContact CD1-CG1 4.41Å; F164-I200 HydrophobicContact CD2-CD1 3.45Å; F164-I200 VanDerWaalsContact CD2-CD1 3.45Å; F164-I200 HydrophobicContact CD2-CG1 4.47Å; F164-I200 HydrophobicContact CE1-CD1 4.31Å; F164-I200 HydrophobicContact CE1-CG1 4.39Å; F164-I200 HydrophobicContact CE2-CD1 3.73Å; F164-I200 HydrophobicContact CE2-CG1 4.43Å; F164-I200 HydrophobicContact CG-CD1 3.62Å; F164-I200 HydrophobicContact CG-CG1 4.47Å; F164-I200 HydrophobicContact CZ-CD1 4.17Å; F164-I200 HydrophobicContact CZ-CG1 4.4Å
165	T	97.8	Very high	96.8	Very high	18 Å²	18	24.5 Å²	24.5	11%	0.11	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	131.4	169.9	-64	0	0	0	0	109.4	E158 I159 A188 K189 H191	E158-T165 HydrophobicContact CG-CG2 3.39Å; I159-T165 CarbonylContact O-C 3.58Å; I159-T165 WeakPolarHBondContact O-CA 3.13Å; T165-A188 WeakPolarHBondContact O-CA 3.35Å; T165-K189 PolarHBondContact N-O 3.47Å; T165-K189 PolarHBondContact O-N 3.02Å; T165-H191 PolarHBondContact N-NE2 3.26Å; T165-H191 PolarHBondContact OG1-NE2 2.81Å
166	L	98.5	Very high	96.6	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	128.9	163.7	-58.4	176	0	0	0	109.1	M118 W120 E158 I159 F164 T187 A188 I200 L202	M118-L166 HydrophobicContact CE-CD1 4.41Å; W120-L166 HydrophobicContact CB-CD1 4.36Å; W120-L166 HydrophobicContact CD2-CD1 3.81Å; W120-L166 HydrophobicContact CE3-CD1 4.38Å; W120-L166 HydrophobicContact CG-CD1 3.79Å; E158-L166 CarbonylContact C-O 3.55Å; I159-L166 HydrophobicContact CB-CB 4.3Å; I159-L166 PolarHBondContact N-O 2.9Å; I159-L166 PolarHBondContact O-N 2.91Å; F164-L166 HydrophobicContact CD2-CD2 4Å; F164-L166 HydrophobicContact CD2-CG 3.93Å; F164-L166 HydrophobicContact CE2-CD1 4.01Å; F164-L166 HydrophobicContact CE2-CD2 4.02Å; F164-L166 HydrophobicContact CE2-CG 3.73Å; L166-T187 CarbonylContact C-O 3.6Å; L166-T187 WeakPolarHBondContact CA-O 3.32Å; L166-A188 HydrophobicContact CD2-CB 3.61Å; L166-I200 HydrophobicContact CD2-CD1 4.31Å; L166-L202 HydrophobicContact CD1-CD2 4.32Å; L166-L202 HydrophobicContact CD2-CD2 4.44Å
167	T	98.7	Very high	96.5	Very high	26 Å²	26	31.1 Å²	31.1	16%	0.16	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	118	165.4	-48.3	0	0	0	0	107.7	V156 Q157 E169 I186 T187	V156-T167 HydrophobicContact CG1-CG2 4.25Å; Q157-T167 CarbonylContact O-C 3.58Å; Q157-T167 WeakPolarHBondContact O-CA 3.12Å; T167-E169 HydrophobicContact CG2-CG 3.83Å; T167-I186 WeakPolarHBondContact O-CA 3.41Å; T167-T187 PolarHBondContact N-O 2.94Å; T167-T187 PolarHBondContact O-N 3.08Å
168	T	98.7	Very high	96.3	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	113.3	177.2	68.2	0	0	0	0	108.8	F104 M118 Q157 I159 I186	F104-T168 HydrophobicContact CB-CG2 4.35Å; F104-T168 HydrophobicContact CD1-CG2 4.42Å; F104-T168 HydrophobicContact CG-CG2 4.28Å; M118-T168 HydrophobicContact CE-CG2 3.64Å; M118-T168 HydrophobicContact SD-CG2 4.45Å; Q157-T168 WeakPolarHBondContact CB-OG1 3.48Å; Q157-T168 PolarHBondContact N-O 2.85Å; Q157-T168 PolarHBondContact NE2-OG1 3.06Å; Q157-T168 PolarHBondContact O-N 2.86Å; I159-T168 HydrophobicContact CD1-CG2 4.01Å; T168-I186 HydrophobicContact CG2-CD1 3.96Å
169	E	98.8	Very high	96.1	Very high	20 Å²	20	31.5 Å²	31.5	9%	0.093	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	143	-177.3	-55.7	173.8	117.4	0	0	109.2	G155 V156 T167 W184 R185 L358 K362	G155-E169 CarbonylContact O-C 3.55Å; G155-E169 VanDerWaalsContact O-CA 3.26Å; G155-E169 WeakPolarHBondContact O-CA 3.19Å; V156-E169 HydrophobicContact CG1-CG 4.25Å; V156-E169 HydrophobicContact CG2-CG 4.33Å; T167-E169 HydrophobicContact CG2-CG 3.83Å; E169-W184 CarbonylContact O-C 3.55Å; E169-W184 VanDerWaalsContact O-CA 3.24Å; E169-W184 WeakPolarHBondContact O-CA 3.35Å; E169-R185 HydrophobicContact CB-CB 4.32Å; E169-R185 PolarHBondContact N-O 2.72Å; E169-R185 PolarHBondContact O-N 3.35Å; E169-R185 WeakPolarHBondContact OE2-CD 3.43Å; E169-L358 HydrophobicContact CB-CD2 4.34Å; E169-L358 HydrophobicContact CG-CD2 4.44Å; E169-L358 VanDerWaalsContact OE1-CD2 3.31Å; E169-L358 WeakPolarHBondContact OE1-CD2 3.25Å; E169-K362 IonicContact OE1-NZ 2.59Å
170	F	98.8	Very high	96	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.009	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	151.8	168.2	78.6	-90.5	0	0	0	111.8	F104 M106 W146 H149 F154 G155 K172 T183	F104-F170 HydrophobicContact CE2-CD1 4.15Å; F104-F170 HydrophobicContact CZ-CB 4.22Å; M106-F170 HydrophobicContact CE-CD2 4.34Å; M106-F170 HydrophobicContact CE-CE2 4.48Å; W146-F170 AromaticContact CH2-CD1 3.84Å; W146-F170 HydrophobicContact CH2-CD1 3.84Å; W146-F170 AromaticContact CH2-CE1 3.62Å; W146-F170 HydrophobicContact CH2-CE1 3.62Å; W146-F170 AromaticContact CZ3-CD1 3.96Å; W146-F170 HydrophobicContact CZ3-CD1 3.96Å; W146-F170 AromaticContact CZ3-CE1 3.77Å; W146-F170 HydrophobicContact CZ3-CE1 3.77Å; H149-F170 AromaticContact CD2-CE1 3.71Å; H149-F170 AromaticContact CD2-CZ 4Å; H149-F170 AromaticContact NE2-CE1 3.48Å; H149-F170 WeakPolarHBondContact NE2-CE1 3.43Å; H149-F170 AromaticContact NE2-CZ 3.45Å; H149-F170 WeakPolarHBondContact NE2-CZ 3.49Å; F154-F170 WeakPolarHBondContact CA-O 3.44Å; F154-F170 VanDerWaalsContact CB-O 3.3Å; F154-F170 WeakPolarHBondContact CB-O 3.16Å; G155-F170 VanDerWaalsContact CA-CE1 3.48Å; G155-F170 VanDerWaalsContact N-CE1 3.33Å; G155-F170 PolarHBondContact N-O 2.8Å; G155-F170 PolarHBondContact O-N 2.89Å; F170-K172 HydrophobicContact CD2-CG 4.1Å; F170-K172 HydrophobicContact CE2-CG 4.15Å; F170-T183 VanDerWaalsContact CA-O 3.23Å; F170-T183 WeakPolarHBondContact CA-O 3.24Å
171	V	98.6	Very high	96.1	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	140.5	168.2	169.3	0	0	0	0	108.1	T153 F154 W182 T183 L349 M354 E357 L358	T153-V171 CarbonylContact O-C 3.55Å; T153-V171 WeakPolarHBondContact O-CA 3.44Å; F154-V171 HydrophobicContact CB-CG2 4.11Å; V171-W182 CarbonylContact O-C 3.56Å; V171-W182 VanDerWaalsContact O-CA 3.31Å; V171-W182 WeakPolarHBondContact O-CA 3.41Å; V171-T183 PolarHBondContact N-O 2.81Å; V171-T183 PolarHBondContact O-N 2.78Å; V171-L349 HydrophobicContact CB-CD2 4.12Å; V171-L349 HydrophobicContact CG1-CD1 4.28Å; V171-L349 HydrophobicContact CG1-CD2 3.8Å; V171-M354 HydrophobicContact CB-CE 3.79Å; V171-M354 HydrophobicContact CB-SD 3.6Å; V171-M354 HydrophobicContact CG1-SD 4.42Å; V171-M354 HydrophobicContact CG2-CE 3.46Å; V171-M354 VanDerWaalsContact CG2-CE 3.46Å; V171-M354 HydrophobicContact CG2-SD 3.62Å; V171-E357 HydrophobicContact CG1-CB 4.35Å; V171-E357 HydrophobicContact CG1-CG 3.41Å; V171-E357 VanDerWaalsContact CG1-CG 3.41Å; V171-L358 HydrophobicContact CG2-CB 4.01Å; V171-L358 HydrophobicContact CG2-CD1 3.91Å
172	K	98.1	Very high	96.3	Very high	18 Å²	18	26.2 Å²	26.2	8%	0.078	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	147.9	172.6	-61	-163.8	-70.6	164.6	0	111.1	E92 W95 M106 L152 T153 F170 D181 W182	E92-K172 PolarHBondContact O-NZ 3.34Å; W95-K172 HydrophobicContact CB-CD 3.95Å; W95-K172 PolarHBondContact O-NZ 3.39Å; M106-K172 HydrophobicContact CE-CD 3.85Å; M106-K172 HydrophobicContact CE-CG 4.21Å; L152-K172 WeakPolarHBondContact O-CE 3.39Å; L152-K172 PolarHBondContact O-NZ 2.92Å; T153-K172 PolarHBondContact O-N 3.07Å; F170-K172 HydrophobicContact CD2-CG 4.1Å; F170-K172 HydrophobicContact CE2-CG 4.15Å; K172-D181 CarbonylContact C-O 3.49Å; K172-D181 WeakPolarHBondContact CA-O 3.17Å; K172-W182 HydrophobicContact CG-CB 3.89Å
173	R	95.8	Very high	96.8	Very high	45 Å²	45	21.9 Å²	21.9	17%	0.17	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	117.5	173.5	-174.7	-177.4	-68.2	176.3	-7.3	109.2	G180 D181 F342 N347 L349	R173-G180 CarbonylContact O-C 3.56Å; R173-G180 WeakPolarHBondContact O-CA 3.35Å; R173-D181 PolarHBondContact N-O 3.2Å; R173-D181 PolarHBondContact O-N 3.1Å; R173-F342 HydrophobicContact CG-CE1 4.17Å; R173-N347 PolarHBondContact NH1-O 2.96Å; R173-N347 PolarHBondContact NH1-OD1 3.04Å; R173-N347 PolarHBondContact NH2-OD1 2.86Å; R173-L349 HydrophobicContact CB-CD2 4.5Å
174	V	94.5	Very high	97.1	Very high	78 Å²	78	21 Å²	21	47%	0.473	12%	0.122	S	C	.	.			trans	-69.3	138.1	177.4	-177.8	0	0	0	0	109.6	E92	E92-V174 HydrophobicContact CG-CG2 3.95Å
175	G	94.2	Very high	97.2	Very high	14 Å²	14	21.5 Å²	21.5	14%	0.144	12%	0.124	C	C	.	.			trans	168.9	166.9	175.4	0	0	0	0	0	112.5	G180	G175-G180 WeakPolarHBondContact O-CA 3.48Å; G175-G180 PolarHBondContact O-N 2.94Å; G175-G180 VanDerWaalsContact O-N 3.1Å
176	G	95.1	Very high	97.2	Very high	30 Å²	30	20.7 Å²	20.7	31%	0.309	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	-162.5	-172.7	0	0	0	0	0	113.3
177	D	94.9	Very high	97.2	Very high	118 Å²	118	21.6 Å²	21.6	63%	0.631	13%	0.125	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.1	-7.2	-173.1	-60.3	-51.5	0	0	0	113.6	S341	D177-S341 PolarHBondContact N-OG 3.2Å
178	H	95.6	Very high	97.2	Very high	49 Å²	49	20.4 Å²	20.4	23%	0.227	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.8	33	-169.4	-52.6	91.8	0	0	0	113.8	E233 L234 S341	H178-E233 PolarHBondContact CD2-O 2.92Å; H178-E233 VanDerWaalsContact CD2-O 3.31Å; H178-L234 WeakPolarHBondContact CB-O 3.45Å; H178-L234 VanDerWaalsContact CG-O 3.3Å; H178-S341 PolarHBondContact N-OG 3.13Å; H178-S341 WeakPolarHBondContact ND1-CB 3.26Å; H178-S341 PolarHBondContact ND1-OG 2.94Å
179	G	94.4	Very high	97.1	Very high	8 Å²	8	26.4 Å²	26.4	8%	0.082	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.4	12.4	171	0	0	0	0	0	116.1
180	G	96.8	Very high	96.9	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.158	C	C	.	.			trans	78.7	-159.3	170.7	0	0	0	0	0	116.2	R173 G175	R173-G180 CarbonylContact O-C 3.56Å; R173-G180 WeakPolarHBondContact O-CA 3.35Å; G175-G180 WeakPolarHBondContact O-CA 3.48Å; G175-G180 PolarHBondContact O-N 2.94Å; G175-G180 VanDerWaalsContact O-N 3.1Å
181	D	98	Very high	96.6	Very high	9 Å²	9	31 Å²	31	5%	0.048	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	159.4	-175	-62.8	-16.8	0	0	0	110.6	K172 R173 F337 E338 S339 F342	K172-D181 CarbonylContact C-O 3.49Å; K172-D181 WeakPolarHBondContact CA-O 3.17Å; R173-D181 PolarHBondContact N-O 3.2Å; R173-D181 PolarHBondContact O-N 3.1Å; D181-F337 WeakPolarHBondContact CA-O 3.32Å; D181-F337 WeakPolarHBondContact CB-O 3.4Å; D181-E338 WeakPolarHBondContact OD1-CA 3.17Å; D181-S339 PolarHBondContact OD1-N 3.48Å; D181-F342 WeakPolarHBondContact OD2-CD1 3.42Å
182	W	98.4	Very high	96.1	Very high	1 Å²	1	37.4 Å²	37.4	0%	0.004	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	156.1	167.8	57.7	-104.4	0	0	0	111.8	W95 M106 T116 V171 K172 W184 F337	W95-W182 AromaticContact CD2-CD1 3.91Å; W95-W182 AromaticContact CD2-NE1 3.62Å; W95-W182 AromaticContact CE2-NE1 3.79Å; W95-W182 AromaticContact CE3-NE1 3.68Å; W95-W182 AromaticContact CG-CD1 3.96Å; W95-W182 AromaticContact CZ3-NE1 3.93Å; M106-W182 HydrophobicContact CE-CG 4.31Å; M106-W182 HydrophobicContact SD-CD2 4.05Å; M106-W182 HydrophobicContact SD-CE3 4.43Å; M106-W182 HydrophobicContact SD-CG 4.17Å; T116-W182 HydrophobicContact CG2-CH2 4.18Å; T116-W182 HydrophobicContact CG2-CZ2 3.94Å; V171-W182 CarbonylContact O-C 3.56Å; V171-W182 VanDerWaalsContact O-CA 3.31Å; V171-W182 WeakPolarHBondContact O-CA 3.41Å; K172-W182 HydrophobicContact CG-CB 3.89Å; W182-W184 AromaticContact CD2-NE1 3.95Å; W182-W184 AromaticContact CE3-CD1 3.44Å; W182-W184 VanDerWaalsContact CE3-CD1 3.44Å; W182-W184 HydrophobicContact CE3-CD2 4.25Å; W182-W184 AromaticContact CE3-CE2 3.83Å; W182-W184 HydrophobicContact CE3-CG 4.04Å; W182-W184 AromaticContact CE3-NE1 3.26Å; W182-W184 VanDerWaalsContact CE3-NE1 3.26Å; W182-W184 HydrophobicContact CH2-CD2 4.12Å; W182-W184 AromaticContact CH2-CE2 3.64Å; W182-W184 HydrophobicContact CH2-CH2 4.2Å; W182-W184 AromaticContact CH2-CZ2 3.68Å; W182-W184 HydrophobicContact CH2-CZ2 3.68Å; W182-W184 AromaticContact CH2-NE1 3.93Å; W182-W184 HydrophobicContact CZ2-CZ2 4.24Å; W182-W184 AromaticContact CZ3-CD1 3.55Å; W182-W184 AromaticContact CZ3-CD2 3.55Å; W182-W184 HydrophobicContact CZ3-CD2 3.55Å; W182-W184 AromaticContact CZ3-CE2 3.31Å; W182-W184 HydrophobicContact CZ3-CE3 4.3Å; W182-W184 AromaticContact CZ3-CG 3.72Å; W182-W184 HydrophobicContact CZ3-CG 3.72Å; W182-W184 AromaticContact CZ3-CZ2 3.88Å; W182-W184 HydrophobicContact CZ3-CZ2 3.88Å; W182-W184 AromaticContact CZ3-NE1 3.27Å; W182-W184 VanDerWaalsContact CZ3-NE1 3.27Å; W182-F337 AromaticContact CD1-CD1 3.88Å; W182-F337 AromaticContact CD1-CG 3.97Å; W182-F337 HydrophobicContact CD2-CB 3.41Å; W182-F337 VanDerWaalsContact CD2-CB 3.41Å; W182-F337 HydrophobicContact CD2-CG 4.3Å; W182-F337 AromaticContact CE2-CG 3.66Å; W182-F337 HydrophobicContact CE3-CB 3.87Å; W182-F337 HydrophobicContact CG-CB 3.88Å; W182-F337 HydrophobicContact CG-CG 4.49Å; W182-F337 HydrophobicContact CH2-CB 3.87Å; W182-F337 HydrophobicContact CZ2-CB 3.41Å; W182-F337 VanDerWaalsContact CZ2-CB 3.41Å; W182-F337 HydrophobicContact CZ2-CD2 4.09Å; W182-F337 AromaticContact CZ2-CG 3.99Å; W182-F337 HydrophobicContact CZ2-CG 3.99Å; W182-F337 HydrophobicContact CZ3-CB 4.07Å; W182-F337 PolarHBondContact N-O 3.42Å; W182-F337 VanDerWaalsContact N-O 3.08Å; W182-F337 AromaticContact NE1-CD1 3.73Å; W182-F337 AromaticContact NE1-CD2 3.98Å; W182-F337 AromaticContact NE1-CG 3.44Å; W182-F337 PolarHBondContact O-N 2.99Å
183	T	98.8	Very high	95.5	Very high	2 Å²	2	41 Å²	41	1%	0.012	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	135.4	173.7	-64.4	0	0	0	0	110.4	F170 V171 E334 V335 L336 L349 M354	F170-T183 VanDerWaalsContact CA-O 3.23Å; F170-T183 WeakPolarHBondContact CA-O 3.24Å; V171-T183 PolarHBondContact N-O 2.81Å; V171-T183 PolarHBondContact O-N 2.78Å; T183-E334 HydrophobicContact CG2-CB 4.43Å; T183-V335 CarbonylContact C-O 3.51Å; T183-V335 WeakPolarHBondContact CA-O 3.46Å; T183-L336 HydrophobicContact CG2-CG 4.17Å; T183-L349 WeakPolarHBondContact CB-O 3.35Å; T183-L349 VanDerWaalsContact CG2-O 3.3Å; T183-L349 WeakPolarHBondContact CG2-O 3.49Å; T183-L349 PolarHBondContact OG1-O 3.31Å; T183-M354 HydrophobicContact CG2-CG 4.48Å
184	W	98.8	Very high	95	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.008	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	141.9	169.7	-58.7	-11.6	0	0	0	109.8	F104 M106 T116 E169 W182 I186 F204 E334 V335	F104-W184 HydrophobicContact CD1-CD2 4.28Å; F104-W184 HydrophobicContact CD1-CE3 4.19Å; F104-W184 HydrophobicContact CD1-CZ3 4.38Å; F104-W184 HydrophobicContact CE1-CB 4.06Å; F104-W184 AromaticContact CE1-CD1 3.96Å; F104-W184 AromaticContact CE1-CD2 3.32Å; F104-W184 HydrophobicContact CE1-CD2 3.32Å; F104-W184 AromaticContact CE1-CE2 3.68Å; F104-W184 AromaticContact CE1-CE3 3.59Å; F104-W184 HydrophobicContact CE1-CE3 3.59Å; F104-W184 AromaticContact CE1-CG 3.53Å; F104-W184 HydrophobicContact CE1-CG 3.53Å; F104-W184 HydrophobicContact CE1-CH2 4.46Å; F104-W184 HydrophobicContact CE1-CZ2 4.26Å; F104-W184 HydrophobicContact CE1-CZ3 4.16Å; F104-W184 HydrophobicContact CZ-CB 4.31Å; F104-W184 AromaticContact CZ-CD1 3.67Å; F104-W184 AromaticContact CZ-CD2 3.84Å; F104-W184 HydrophobicContact CZ-CD2 3.84Å; F104-W184 AromaticContact CZ-CE2 3.9Å; F104-W184 AromaticContact CZ-CG 3.71Å; F104-W184 HydrophobicContact CZ-CG 3.71Å; F104-W184 AromaticContact CZ-NE1 3.8Å; M106-W184 HydrophobicContact CB-CZ2 4.06Å; M106-W184 HydrophobicContact CG-CZ2 3.83Å; M106-W184 HydrophobicContact SD-CZ2 4.18Å; M106-W184 PolarHBondContact SD-NE1 2.94Å; T116-W184 WeakPolarHBondContact OG1-CH2 3.26Å; T116-W184 VanDerWaalsContact OG1-CZ2 3.31Å; T116-W184 WeakPolarHBondContact OG1-CZ2 3.28Å; E169-W184 CarbonylContact O-C 3.55Å; E169-W184 VanDerWaalsContact O-CA 3.24Å; E169-W184 WeakPolarHBondContact O-CA 3.35Å; W182-W184 AromaticContact CD2-NE1 3.95Å; W182-W184 AromaticContact CE3-CD1 3.44Å; W182-W184 VanDerWaalsContact CE3-CD1 3.44Å; W182-W184 HydrophobicContact CE3-CD2 4.25Å; W182-W184 AromaticContact CE3-CE2 3.83Å; W182-W184 HydrophobicContact CE3-CG 4.04Å; W182-W184 AromaticContact CE3-NE1 3.26Å; W182-W184 VanDerWaalsContact CE3-NE1 3.26Å; W182-W184 HydrophobicContact CH2-CD2 4.12Å; W182-W184 AromaticContact CH2-CE2 3.64Å; W182-W184 HydrophobicContact CH2-CH2 4.2Å; W182-W184 AromaticContact CH2-CZ2 3.68Å; W182-W184 HydrophobicContact CH2-CZ2 3.68Å; W182-W184 AromaticContact CH2-NE1 3.93Å; W182-W184 HydrophobicContact CZ2-CZ2 4.24Å; W182-W184 AromaticContact CZ3-CD1 3.55Å; W182-W184 AromaticContact CZ3-CD2 3.55Å; W182-W184 HydrophobicContact CZ3-CD2 3.55Å; W182-W184 AromaticContact CZ3-CE2 3.31Å; W182-W184 HydrophobicContact CZ3-CE3 4.3Å; W182-W184 AromaticContact CZ3-CG 3.72Å; W182-W184 HydrophobicContact CZ3-CG 3.72Å; W182-W184 AromaticContact CZ3-CZ2 3.88Å; W182-W184 HydrophobicContact CZ3-CZ2 3.88Å; W182-W184 AromaticContact CZ3-NE1 3.27Å; W182-W184 VanDerWaalsContact CZ3-NE1 3.27Å; W184-I186 HydrophobicContact CB-CD1 4.5Å; W184-F204 HydrophobicContact CE3-CD1 4.22Å; W184-F204 HydrophobicContact CE3-CE1 4.49Å; W184-F204 HydrophobicContact CZ3-CD1 4.26Å; W184-E334 CarbonylContact O-C 3.59Å; W184-E334 WeakPolarHBondContact O-CA 3.42Å; W184-V335 HydrophobicContact CB-CB 4.33Å; W184-V335 HydrophobicContact CE3-CB 4.32Å; W184-V335 PolarHBondContact N-O 2.87Å; W184-V335 PolarHBondContact O-N 3.46Å
185	R	98.5	Very high	94.6	Very high	12 Å²	12	41.9 Å²	41.9	5%	0.045	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	120.3	166.1	178	-179.2	-69.9	174.4	-3.6	108.6	E169 Q332 I333 E334 G351 M354 T355	E169-R185 HydrophobicContact CB-CB 4.32Å; E169-R185 PolarHBondContact N-O 2.72Å; E169-R185 PolarHBondContact O-N 3.35Å; E169-R185 WeakPolarHBondContact OE2-CD 3.43Å; R185-Q332 VanDerWaalsContact CD-CD 3.46Å; R185-Q332 HydrophobicContact CG-CG 3.66Å; R185-I333 WeakPolarHBondContact CA-O 3.34Å; R185-E334 HydrophobicContact CB-CG 4.27Å; R185-E334 HydrophobicContact CG-CG 4.32Å; R185-E334 IonicContact CZ-OE1 2.73Å; R185-E334 IonicContact NE-OE1 3.32Å; R185-E334 PolarHBondContact NE-OE1 3.38Å; R185-E334 IonicContact NH2-OE1 3.32Å; R185-E334 PolarHBondContact NH2-OE1 3.42Å; R185-G351 PolarHBondContact NH2-O 2.94Å; R185-M354 HydrophobicContact CB-CE 4.46Å; R185-T355 PolarHBondContact NH1-OG1 2.72Å; R185-T355 PolarHBondContact NH2-OG1 3.38Å; R185-T355 VanDerWaalsContact NH2-OG1 3.07Å
186	I	98.4	Very high	94.4	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	116.5	176.7	-47.1	-53.5	0	0	0	108.4	F104 M118 T167 T168 W184 L202 F204 Q332 I333	F104-I186 HydrophobicContact CD1-CD1 4.19Å; F104-I186 HydrophobicContact CE1-CD1 3.92Å; M118-I186 HydrophobicContact SD-CD1 3.77Å; M118-I186 HydrophobicContact SD-CG1 3.87Å; M118-I186 HydrophobicContact SD-CG2 4.06Å; T167-I186 WeakPolarHBondContact O-CA 3.41Å; T168-I186 HydrophobicContact CG2-CD1 3.96Å; W184-I186 HydrophobicContact CB-CD1 4.5Å; I186-L202 HydrophobicContact CB-CD1 4.24Å; I186-L202 HydrophobicContact CG2-CD1 3.74Å; I186-F204 HydrophobicContact CG1-CE1 3.72Å; I186-F204 HydrophobicContact CG1-CZ 3.84Å; I186-Q332 CarbonylContact O-C 3.57Å; I186-Q332 WeakPolarHBondContact O-CA 3.41Å; I186-I333 PolarHBondContact N-O 3.2Å; I186-I333 PolarHBondContact O-N 3.42Å
187	T	98.1	Very high	94.2	Very high	20 Å²	20	48.1 Å²	48.1	12%	0.123	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	127.3	177.8	-57.6	0	0	0	0	109.2	L166 T167 K189 F331	L166-T187 CarbonylContact C-O 3.6Å; L166-T187 WeakPolarHBondContact CA-O 3.32Å; T167-T187 PolarHBondContact N-O 2.94Å; T167-T187 PolarHBondContact O-N 3.08Å; T187-K189 HydrophobicContact CG2-CG 4.28Å; T187-F331 WeakPolarHBondContact CA-O 3.17Å
188	A	97.6	Very high	94.2	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	126.3	176.2	0	0	0	0	0	110.5	T165 L166 I200 T329 P330 F331	T165-A188 WeakPolarHBondContact O-CA 3.35Å; L166-A188 HydrophobicContact CD2-CB 3.61Å; A188-I200 HydrophobicContact CB-CD1 4.01Å; A188-T329 HydrophobicContact CB-CG2 3.91Å; A188-P330 VanDerWaalsContact O-CA 3.23Å; A188-P330 WeakPolarHBondContact O-CA 3.45Å; A188-F331 HydrophobicContact CB-CD1 3.87Å; A188-F331 HydrophobicContact CB-CD2 4.23Å; A188-F331 HydrophobicContact CB-CE1 3.37Å; A188-F331 HydrophobicContact CB-CE2 3.75Å; A188-F331 HydrophobicContact CB-CG 4.28Å; A188-F331 HydrophobicContact CB-CZ 3.31Å; A188-F331 PolarHBondContact N-O 3.48Å; A188-F331 PolarHBondContact O-N 2.9Å; A188-F331 VanDerWaalsContact O-N 3.15Å
189	K	96.3	Very high	94.1	Very high	127 Å²	127	40.3 Å²	40.3	55%	0.552	23%	0.233	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-125	133.8	177.9	-64.4	-177.1	-178.8	177.3	0	109.9	F164 T165 T187	F164-K189 CarbonylContact C-O 3.56Å; F164-K189 VanDerWaalsContact CA-O 3.29Å; F164-K189 WeakPolarHBondContact CA-O 3.37Å; F164-K189 WeakPolarHBondContact CB-O 3.42Å; T165-K189 PolarHBondContact N-O 3.47Å; T165-K189 PolarHBondContact O-N 3.02Å; T187-K189 HydrophobicContact CG2-CG 4.28Å
190	Q	94.6	Very high	94.2	Very high	84 Å²	84	40 Å²	40	39%	0.393	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	148.4	172.3	72.3	-173.2	11.1	0	0	110.7	P197 P198	Q190-P197 VanDerWaalsContact OE1-CG 3.28Å; Q190-P198 HydrophobicContact CB-CG 4.4Å
191	H	93.4	Very high	94.3	Very high	35 Å²	35	40 Å²	40	16%	0.162	23%	0.229	C	C	.	.			trans	-77.3	153.3	167.9	-65.5	179.4	0	0	0	110.3	N162 D163 F164 T165 S193 A194	N162-H191 PolarHBondContact O-ND1 2.9Å; D163-H191 PolarHBondContact O-N 3.25Å; F164-H191 PolarHBondContact O-NE2 3.45Å; T165-H191 PolarHBondContact N-NE2 3.26Å; T165-H191 PolarHBondContact OG1-NE2 2.81Å; H191-S193 PolarHBondContact O-N 3.29Å; H191-A194 VanDerWaalsContact O-CB 3.27Å; H191-A194 WeakPolarHBondContact O-CB 3.38Å; H191-A194 PolarHBondContact O-N 3.08Å; H191-A194 VanDerWaalsContact O-N 3.09Å
192	S	88.4	Confident	94.3	Very high	134 Å²	134	39.5 Å²	39.5	94%	0.937	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-23.3	176.2	50.8	0	0	0	0	113.3	A194	S192-A194 VanDerWaalsContact C-N 3.3Å
193	S	84.8	Confident	94.3	Very high	94 Å²	94	39.5 Å²	39.5	66%	0.657	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77	-11.1	174.8	53.2	0	0	0	0	114	H191	H191-S193 PolarHBondContact O-N 3.29Å
194	A	86.4	Confident	94.3	Very high	17 Å²	17	39.5 Å²	39.5	14%	0.14	23%	0.227	C	C	.	.			trans	-72.4	124.6	-178.9	0	0	0	0	0	110.5	D163 H191 S192 Q196	D163-A194 HydrophobicContact CB-CB 3.9Å; H191-A194 VanDerWaalsContact O-CB 3.27Å; H191-A194 WeakPolarHBondContact O-CB 3.38Å; H191-A194 PolarHBondContact O-N 3.08Å; H191-A194 VanDerWaalsContact O-N 3.09Å; S192-A194 VanDerWaalsContact C-N 3.3Å; A194-Q196 VanDerWaalsContact C-N 3.28Å; A194-Q196 PolarHBondContact O-N 3.09Å
195	P	85.9	Confident	94.3	Very high	123 Å²	123	39.6 Å²	39.6	80%	0.799	23%	0.227	S	C	*	.	S	Bend	trans	-69.4	-27.7	-177.3	26.8	-34.1	0	0	0	112.8
196	Q	88.9	Confident	94.3	Very high	125 Å²	125	39 Å²	39	58%	0.584	23%	0.225	S	C	*	.	S	Bend	trans	-142.9	153	175.4	-64.9	-171.4	0.5	0	0	109.6	A194 P198	A194-Q196 VanDerWaalsContact C-N 3.28Å; A194-Q196 PolarHBondContact O-N 3.09Å; Q196-P198 WeakPolarHBondContact O-CD 3.38Å; Q196-P198 VanDerWaalsContact O-N 3.1Å
197	P	91.6	Very high	94.2	Very high	51 Å²	51	39.1 Å²	39.1	33%	0.331	23%	0.226	S	C	.	.			trans	-60.1	115.8	176.7	-20	29.7	0	0	0	111.2	Q190 Q328	Q190-P197 VanDerWaalsContact OE1-CG 3.28Å; P197-Q328 HydrophobicContact CB-CG 3.83Å; P197-Q328 PolarHBondContact O-NE2 3.33Å
198	P	93.6	Very high	93.9	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.006	22%	0.221	C	C	.	.			trans	-62.5	145.7	-177.9	21	-31.7	0	0	0	111.2	F164 Q190 Q196 T329	F164-P198 HydrophobicContact CB-CG 3.95Å; F164-P198 HydrophobicContact CD1-CB 4.35Å; F164-P198 HydrophobicContact CD1-CG 4.21Å; F164-P198 HydrophobicContact CG-CG 4.45Å; Q190-P198 HydrophobicContact CB-CG 4.4Å; Q196-P198 WeakPolarHBondContact O-CD 3.38Å; Q196-P198 VanDerWaalsContact O-N 3.1Å; P198-T329 WeakPolarHBondContact CD-OG1 3.45Å; P198-T329 HydrophobicContact CG-CG2 4.04Å; P198-T329 WeakPolarHBondContact CG-OG1 3.34Å; P198-T329 PolarHBondContact O-N 3.26Å; P198-T329 PolarHBondContact O-OG1 3.49Å; P198-T329 VanDerWaalsContact O-OG1 3.08Å
199	V	94.9	Very high	93.3	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.012	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	126.9	169.5	-178.5	0	0	0	0	108.1	Q123 F124 F284 T326 Q328	Q123-V199 HydrophobicContact CB-CB 4.25Å; Q123-V199 HydrophobicContact CB-CG1 4.2Å; Q123-V199 HydrophobicContact CG-CG1 4.44Å; Q123-V199 PolarHBondContact N-O 2.96Å; F124-V199 HydrophobicContact CD2-CB 3.87Å; F124-V199 HydrophobicContact CD2-CG1 4.47Å; F124-V199 HydrophobicContact CD2-CG2 4.08Å; F124-V199 HydrophobicContact CE2-CB 3.64Å; F124-V199 HydrophobicContact CE2-CG1 3.8Å; F124-V199 HydrophobicContact CE2-CG2 3.78Å; V199-F284 HydrophobicContact CG1-CE1 4.37Å; V199-F284 HydrophobicContact CG1-CE2 4.36Å; V199-F284 HydrophobicContact CG1-CZ 4.21Å; V199-F284 HydrophobicContact CG2-CE1 4.26Å; V199-T326 HydrophobicContact CG1-CG2 3.66Å; V199-Q328 HydrophobicContact CG2-CB 4.02Å; V199-Q328 HydrophobicContact CG2-CG 4.02Å
200	I	96.2	Very high	92.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	135.7	-172.9	-55.7	172.3	0	0	0	107.9	W120 F164 L166 A188 L202 T326 V327 T329 F331	W120-I200 HydrophobicContact CB-CG2 4.48Å; F164-I200 HydrophobicContact CB-CD1 4.22Å; F164-I200 HydrophobicContact CD1-CD1 4.04Å; F164-I200 HydrophobicContact CD1-CG1 4.41Å; F164-I200 HydrophobicContact CD2-CD1 3.45Å; F164-I200 VanDerWaalsContact CD2-CD1 3.45Å; F164-I200 HydrophobicContact CD2-CG1 4.47Å; F164-I200 HydrophobicContact CE1-CD1 4.31Å; F164-I200 HydrophobicContact CE1-CG1 4.39Å; F164-I200 HydrophobicContact CE2-CD1 3.73Å; F164-I200 HydrophobicContact CE2-CG1 4.43Å; F164-I200 HydrophobicContact CG-CD1 3.62Å; F164-I200 HydrophobicContact CG-CG1 4.47Å; F164-I200 HydrophobicContact CZ-CD1 4.17Å; F164-I200 HydrophobicContact CZ-CG1 4.4Å; L166-I200 HydrophobicContact CD2-CD1 4.31Å; A188-I200 HydrophobicContact CB-CD1 4.01Å; I200-L202 HydrophobicContact CG2-CD2 3.94Å; I200-L202 HydrophobicContact CG2-CG 4.34Å; I200-T326 WeakPolarHBondContact O-CA 3.46Å; I200-V327 PolarHBondContact N-O 3.21Å; I200-V327 PolarHBondContact O-N 3.46Å; I200-T329 HydrophobicContact CD1-CG2 3.43Å; I200-T329 VanDerWaalsContact CD1-CG2 3.43Å; I200-T329 HydrophobicContact CG1-CG2 4.17Å; I200-F331 HydrophobicContact CB-CE1 4.27Å; I200-F331 HydrophobicContact CB-CZ 4.45Å; I200-F331 HydrophobicContact CD1-CE1 4.22Å
201	S	97.8	Very high	92	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	117.1	163.9	-64.3	0	0	0	0	109.1	W120 M121 Q123 Q324 V325 T326	W120-S201 CarbonylContact C-O 3.59Å; W120-S201 VanDerWaalsContact CA-O 3.22Å; W120-S201 WeakPolarHBondContact CA-O 3.35Å; M121-S201 PolarHBondContact N-O 2.69Å; M121-S201 PolarHBondContact O-N 2.87Å; Q123-S201 WeakPolarHBondContact CG-OG 3.4Å; Q123-S201 PolarHBondContact NE2-OG 2.92Å; S201-Q324 PolarHBondContact OG-NE2 3.29Å; S201-Q324 VanDerWaalsContact OG-NE2 3.08Å; S201-V325 WeakPolarHBondContact CA-O 3.36Å; S201-T326 WeakPolarHBondContact OG-CG2 3.47Å; S201-T326 PolarHBondContact OG-OG1 3.13Å
202	L	98.5	Very high	91.8	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	137.9	167.5	-62.2	-177	0	0	0	109.1	M118 W120 L166 I186 I200 F204 Q324 V325 F331 I333	M118-L202 HydrophobicContact SD-CD2 4.44Å; W120-L202 HydrophobicContact CB-CD2 3.68Å; L166-L202 HydrophobicContact CD1-CD2 4.32Å; L166-L202 HydrophobicContact CD2-CD2 4.44Å; I186-L202 HydrophobicContact CB-CD1 4.24Å; I186-L202 HydrophobicContact CG2-CD1 3.74Å; I200-L202 HydrophobicContact CG2-CD2 3.94Å; I200-L202 HydrophobicContact CG2-CG 4.34Å; L202-F204 HydrophobicContact CB-CE2 4Å; L202-F204 HydrophobicContact CB-CZ 4.15Å; L202-F204 HydrophobicContact CD1-CE2 4.38Å; L202-F204 HydrophobicContact CD1-CZ 3.96Å; L202-Q324 CarbonylContact O-C 3.56Å; L202-Q324 VanDerWaalsContact O-CA 3.31Å; L202-Q324 WeakPolarHBondContact O-CA 3.45Å; L202-V325 HydrophobicContact CB-CG1 3.94Å; L202-V325 PolarHBondContact N-O 2.86Å; L202-V325 PolarHBondContact O-N 2.73Å; L202-F331 HydrophobicContact CD1-CE2 3.57Å; L202-F331 HydrophobicContact CD1-CZ 3.8Å; L202-F331 HydrophobicContact CG-CE2 4.4Å; L202-F331 HydrophobicContact CG-CZ 4.16Å; L202-I333 HydrophobicContact CD1-CD1 3.99Å
203	M	98.6	Very high	92.1	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	111	178.2	-58.4	172.7	-171.9	0	0	108.7	M118 M119 M121 L131 V274 L278 V297 V322 H323 Q324	M118-M203 CarbonylContact C-O 3.53Å; M118-M203 WeakPolarHBondContact CA-O 3.41Å; M119-M203 HydrophobicContact CB-CB 4.09Å; M119-M203 HydrophobicContact CB-SD 4.48Å; M119-M203 PolarHBondContact N-O 3.42Å; M119-M203 PolarHBondContact O-N 2.7Å; M121-M203 HydrophobicContact CE-CE 3.35Å; M121-M203 HydrophobicContact CG-CE 4.36Å; M121-M203 HydrophobicContact SD-CE 4.12Å; L131-M203 HydrophobicContact CD1-CE 4.1Å; L131-M203 HydrophobicContact CD1-SD 3.72Å; M203-V274 HydrophobicContact SD-CG1 3.73Å; M203-L278 HydrophobicContact CE-CD2 3.85Å; M203-V297 HydrophobicContact CE-CG1 4.26Å; M203-V297 HydrophobicContact SD-CG1 4.14Å; M203-V322 HydrophobicContact CB-CG1 3.85Å; M203-V322 HydrophobicContact CG-CG1 4.45Å; M203-H323 CarbonylContact C-O 3.58Å; M203-H323 VanDerWaalsContact CA-O 3.27Å; M203-H323 WeakPolarHBondContact CA-O 3.4Å; M203-Q324 HydrophobicContact CE-CG 4.33Å; M203-Q324 HydrophobicContact CG-CB 4.09Å; M203-Q324 HydrophobicContact CG-CG 4.06Å
204	F	98.8	Very high	92.7	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.009	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	131.7	175.1	-58.3	-74.9	0	0	0	108.8	M118 W184 I186 L202 F241 V322 H323 V325 I333 V335	M118-F204 HydrophobicContact CB-CD1 4.47Å; M118-F204 HydrophobicContact CG-CD1 4.21Å; M118-F204 HydrophobicContact CG-CE1 4.01Å; M118-F204 HydrophobicContact SD-CE1 4.05Å; W184-F204 HydrophobicContact CE3-CD1 4.22Å; W184-F204 HydrophobicContact CE3-CE1 4.49Å; W184-F204 HydrophobicContact CZ3-CD1 4.26Å; I186-F204 HydrophobicContact CG1-CE1 3.72Å; I186-F204 HydrophobicContact CG1-CZ 3.84Å; L202-F204 HydrophobicContact CB-CE2 4Å; L202-F204 HydrophobicContact CB-CZ 4.15Å; L202-F204 HydrophobicContact CD1-CE2 4.38Å; L202-F204 HydrophobicContact CD1-CZ 3.96Å; F204-F241 HydrophobicContact CB-CD1 4.01Å; F204-F241 HydrophobicContact CB-CE1 3.52Å; F204-F241 HydrophobicContact CB-CZ 4.44Å; F204-F241 HydrophobicContact CD2-CD1 4.38Å; F204-F241 HydrophobicContact CG-CD1 4.39Å; F204-F241 HydrophobicContact CG-CE1 4.34Å; F204-V322 CarbonylContact O-C 3.59Å; F204-V322 WeakPolarHBondContact O-CA 3.44Å; F204-H323 PolarHBondContact N-O 2.68Å; F204-H323 PolarHBondContact O-N 2.95Å; F204-V325 HydrophobicContact CD2-CG1 4.44Å; F204-V325 HydrophobicContact CE2-CG1 3.93Å; F204-I333 HydrophobicContact CE2-CG2 3.98Å; F204-I333 HydrophobicContact CZ-CG2 4.12Å; F204-V335 HydrophobicContact CD1-CG2 3.72Å; F204-V335 HydrophobicContact CD2-CG2 3.98Å; F204-V335 HydrophobicContact CE1-CG2 3.73Å; F204-V335 HydrophobicContact CE2-CG2 4Å; F204-V335 HydrophobicContact CG-CG2 3.83Å; F204-V335 HydrophobicContact CZ-CG2 3.87Å
205	Y	98.6	Very high	93.2	Very high	4 Å²	4	31.5 Å²	31.5	2%	0.016	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	155.3	-178.5	71	-100.9	0	0	0	113.3	R99 V115 T116 G117 M119 H133 L270 F320 V321	R99-Y205 PolarHBondContact NH1-OH 2.83Å; V115-Y205 HydrophobicContact CG2-CE2 4.4Å; T116-Y205 WeakPolarHBondContact CA-O 3.32Å; G117-Y205 VanDerWaalsContact CA-CE1 3.44Å; G117-Y205 VanDerWaalsContact CA-CZ 3.42Å; G117-Y205 PolarHBondContact N-O 2.79Å; G117-Y205 VanDerWaalsContact N-O 3.11Å; G117-Y205 VanDerWaalsContact O-CD1 3.29Å; G117-Y205 WeakPolarHBondContact O-CD1 3.23Å; G117-Y205 PolarHBondContact O-N 2.9Å; M119-Y205 HydrophobicContact CE-CD1 3.8Å; M119-Y205 HydrophobicContact CE-CE1 3.69Å; M119-Y205 HydrophobicContact CG-CD1 4.2Å; M119-Y205 HydrophobicContact CG-CE1 4.13Å; H133-Y205 AromaticContact CD2-CE1 3.91Å; H133-Y205 PolarHBondContact CE1-OH 2.87Å; H133-Y205 AromaticContact NE2-CE1 3.39Å; H133-Y205 WeakPolarHBondContact NE2-CE1 3.38Å; H133-Y205 AromaticContact NE2-CZ 3.43Å; H133-Y205 PolarHBondContact NE2-OH 2.8Å; Y205-L270 HydrophobicContact CD2-CD1 4.35Å; Y205-L270 HydrophobicContact CE2-CD1 3.79Å; Y205-F320 AromaticContact CD2-CE2 3.87Å; Y205-F320 HydrophobicContact CD2-CE2 3.87Å; Y205-F320 AromaticContact CG-CE2 3.87Å; Y205-F320 HydrophobicContact CG-CE2 3.87Å; Y205-V321 CarbonylContact C-O 3.55Å; Y205-V321 WeakPolarHBondContact CA-O 3.44Å; Y205-V321 VanDerWaalsContact CB-O 3.26Å; Y205-V321 WeakPolarHBondContact CB-O 3.36Å
206	A	98.3	Very high	93.7	Very high	1 Å²	1	27 Å²	27	1%	0.008	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	134.8	164.5	0	0	0	0	0	108.4	V115 T116 L214 I227 I239 V321	V115-A206 CarbonylContact O-C 3.53Å; V115-A206 WeakPolarHBondContact O-CA 3.37Å; T116-A206 HydrophobicContact CG2-CB 4.23Å; A206-L214 HydrophobicContact CB-CD1 3.97Å; A206-L214 WeakPolarHBondContact O-CD1 3.31Å; A206-I227 HydrophobicContact CB-CD1 4.05Å; A206-I239 HydrophobicContact CB-CD1 3.78Å; A206-V321 PolarHBondContact N-O 3.2Å; A206-V321 PolarHBondContact O-N 3.31Å
207	A	97	Very high	94.1	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.008	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	132.8	175.7	0	0	0	0	0	110	V115 L267 L270 D319 F320	V115-A207 HydrophobicContact CG2-CB 3.83Å; V115-A207 PolarHBondContact N-O 2.71Å; V115-A207 PolarHBondContact O-N 3Å; A207-L267 HydrophobicContact CB-CD2 4.03Å; A207-L270 HydrophobicContact CB-CD1 4.1Å; A207-L270 HydrophobicContact CB-CD2 4.2Å; A207-D319 CarbonylContact C-O 3.49Å; A207-D319 WeakPolarHBondContact CA-O 3.46Å; A207-F320 HydrophobicContact CB-CD2 3.8Å; A207-F320 HydrophobicContact CB-CE2 4.49Å
208	A	92.4	Very high	94.2	Very high	4 Å²	4	25 Å²	25	3%	0.033	14%	0.142	C	C	.	.			trans	-74.7	146.7	167.4	0	0	0	0	0	109.8	Q211 S318 D319	A208-Q211 WeakPolarHBondContact CB-O 3.16Å; A208-S318 WeakPolarHBondContact O-CB 3.41Å; A208-D319 HydrophobicContact CB-CB 4.38Å; A208-D319 PolarHBondContact N-O 3.29Å
209	D	84.3	Confident	94.1	Very high	39 Å²	39	29.4 Å²	29.4	21%	0.209	16%	0.162	C	C	.	.	S	Bend	trans	-122.2	103.5	175.4	-171.4	11.6	0	0	0	108.7	S113 Q211 L267	S113-D209 WeakPolarHBondContact O-CB 3.28Å; S113-D209 PolarHBondContact O-N 2.97Å; D209-Q211 PolarHBondContact O-N 3.11Å; D209-L267 HydrophobicContact CB-CD1 4.27Å
210	T	80.1	Confident	93.4	Very high	64 Å²	64	35.8 Å²	35.8	39%	0.393	19%	0.192	S	C	.	.	S	Bend	trans	64.6	-31	-175.3	73.2	0	0	0	0	116.4	R112 K316 S318	R112-T210 WeakPolarHBondContact CG-OG1 3.47Å; T210-K316 PolarHBondContact O-NZ 2.77Å; T210-S318 PolarHBondContact N-OG 2.87Å
211	Q	84.1	Confident	92.4	Very high	23 Å²	23	45 Å²	45	11%	0.107	23%	0.232	C	C	.	.	S	Bend	trans	-139.7	164.2	179.9	80.5	175.2	-17.3	0	0	112.6	R112 A208 D209 E232	R112-Q211 HydrophobicContact CB-CG 3.85Å; R112-Q211 VanDerWaalsContact CB-NE2 3.27Å; R112-Q211 VanDerWaalsContact NH1-OE1 3.15Å; R112-Q211 PolarHBondContact O-NE2 3.3Å; R112-Q211 VanDerWaalsContact O-NE2 3.15Å; A208-Q211 WeakPolarHBondContact CB-O 3.16Å; D209-Q211 PolarHBondContact O-N 3.11Å; Q211-E232 PolarHBondContact OE1-OE2 2.9Å
212	G	88.7	Confident	91.7	Very high	31 Å²	31	49.5 Å²	49.5	32%	0.32	26%	0.256	S	S	.	.			trans	97.9	161.1	178.7	0	0	0	0	0	112.2	F230	G212-F230 CarbonylContact C-O 3.59Å; G212-F230 WeakPolarHBondContact CA-O 3.37Å
213	S	94.3	Very high	91.5	Very high	61 Å²	61	50.4 Å²	50.4	43%	0.427	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	146.2	179.1	58.2	0	0	0	0	110.8	G229 F230 D319	S213-G229 WeakPolarHBondContact O-CA 3.32Å; S213-F230 PolarHBondContact N-O 3.23Å; S213-F230 PolarHBondContact O-N 2.82Å; S213-D319 WeakPolarHBondContact CA-OD2 3.35Å
214	L	97	Very high	91.3	Very high	7 Å²	7	50.4 Å²	50.4	4%	0.037	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	122.3	-179.2	-56.9	177.9	0	0	0	110.1	A206 I227 F237 D319 V321	A206-L214 HydrophobicContact CB-CD1 3.97Å; A206-L214 WeakPolarHBondContact O-CD1 3.31Å; L214-I227 HydrophobicContact CB-CG2 3.96Å; L214-I227 HydrophobicContact CD2-CG2 4.02Å; L214-F237 HydrophobicContact CD2-CE2 4.15Å; L214-F237 HydrophobicContact CD2-CZ 3.76Å; L214-D319 HydrophobicContact CB-CB 3.97Å; L214-D319 HydrophobicContact CD1-CB 3.99Å; L214-D319 HydrophobicContact CG-CB 3.95Å; L214-D319 PolarHBondContact N-OD2 3.49Å; L214-V321 HydrophobicContact CB-CG2 4.09Å; L214-V321 HydrophobicContact CD1-CG2 4.21Å
215	Q	97.1	Very high	91.2	Very high	122 Å²	122	50.6 Å²	50.6	57%	0.57	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.6	126.3	176.7	-173.7	177.5	15.9	0	0	110.6	H217 I227 T228	Q215-H217 PolarHBondContact O-CD2 3.34Å; Q215-I227 CarbonylContact O-C 3.56Å; Q215-I227 VanDerWaalsContact O-CA 3.28Å; Q215-I227 WeakPolarHBondContact O-CA 3.45Å; Q215-T228 PolarHBondContact N-O 3.39Å; Q215-T228 PolarHBondContact O-N 2.87Å
216	T	96.9	Very high	91.2	Very high	29 Å²	29	50.9 Å²	50.9	18%	0.178	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	139.4	-177.8	55.6	0	0	0	0	112.6	L224 Q261 V321	T216-L224 HydrophobicContact CG2-CD1 3.97Å; T216-L224 HydrophobicContact CG2-CD2 4.32Å; T216-Q261 HydrophobicContact CG2-CG 4.48Å; T216-Q261 PolarHBondContact OG1-OE1 2.57Å; T216-V321 HydrophobicContact CG2-CG1 3.69Å; T216-V321 HydrophobicContact CG2-CG2 3.99Å
217	H	97	Very high	91.2	Very high	69 Å²	69	50.9 Å²	50.9	32%	0.319	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	113.8	175.2	-59.9	-85.4	0	0	0	110.5	Q215 A225 S226 T228	Q215-H217 PolarHBondContact O-CD2 3.34Å; H217-A225 PolarHBondContact O-N 3.27Å; H217-S226 PolarHBondContact N-O 2.87Å; H217-S226 PolarHBondContact O-N 3.36Å; H217-T228 WeakPolarHBondContact NE2-CG2 3.26Å; H217-T228 PolarHBondContact NE2-OG1 2.81Å
218	M	94.1	Very high	91.3	Very high	65 Å²	65	52.9 Å²	52.9	32%	0.32	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	144.5	-173.6	-60.3	-60.7	-66.7	0	0	112.1	K221 R223 L224 Y259	M218-K221 WeakPolarHBondContact CE-O 3.37Å; M218-R223 CarbonylContact C-O 3.48Å; M218-R223 WeakPolarHBondContact CA-O 3.22Å; M218-L224 HydrophobicContact SD-CB 3.85Å; M218-L224 HydrophobicContact SD-CD1 3.89Å; M218-L224 HydrophobicContact SD-CG 4.48Å; M218-Y259 HydrophobicContact CE-CD1 3.34Å; M218-Y259 HydrophobicContact CE-CE1 3.37Å; M218-Y259 HydrophobicContact CE-CG 4.05Å; M218-Y259 HydrophobicContact SD-CD1 3.98Å; M218-Y259 HydrophobicContact SD-CD2 4.31Å; M218-Y259 HydrophobicContact SD-CE1 4Å; M218-Y259 HydrophobicContact SD-CE2 4.32Å; M218-Y259 HydrophobicContact SD-CG 4.14Å
219	E	91.9	Very high	91.5	Very high	93 Å²	93	53 Å²	53	44%	0.435	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	151.8	168.6	-73.2	176	-166.8	0	0	109.4	K221 R223 A225	E219-K221 PolarHBondContact O-N 2.94Å; E219-R223 PolarHBondContact N-O 3.02Å; E219-R223 WeakPolarHBondContact O-CB 3.29Å; E219-R223 PolarHBondContact O-N 2.86Å; E219-R223 VanDerWaalsContact O-N 3.08Å; E219-R223 IonicContact OE2-CZ 2.67Å; E219-R223 IonicContact OE2-NH1 3.84Å; E219-R223 PolarHBondContact OE2-NH1 3.19Å; E219-R223 IonicContact OE2-NH2 2.84Å; E219-A225 HydrophobicContact CB-CB 4.11Å; E219-A225 HydrophobicContact CG-CB 3.6Å; E219-A225 WeakPolarHBondContact OE1-CB 3.48Å
220	E	79.4	Confident	92.1	Very high	137 Å²	137	56 Å²	56	64%	0.64	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	39.1	171.5	-61.4	168.2	-164.4	0	0	113.5	N222 K243	E220-N222 PolarHBondContact O-N 3.3Å; E220-K243 IonicContact OE1-NZ 2.93Å; E220-K243 PolarHBondContact OE1-NZ 2.63Å; E220-K243 IonicContact OE2-NZ 3.6Å; E220-K243 PolarHBondContact OE2-NZ 2.8Å
221	K	76.5	Confident	92.8	Very high	192 Å²	192	53 Å²	53	84%	0.835	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.8	-53.1	-175.8	-61.2	-178.7	178.2	180	0	116	M218 E219	M218-K221 WeakPolarHBondContact CE-O 3.37Å; E219-K221 PolarHBondContact O-N 2.94Å
222	N	82	Confident	93.2	Very high	96 Å²	96	57.7 Å²	57.7	51%	0.513	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114	-5.4	-168.4	-68.6	-6.9	0	0	0	114.5	E220	E220-N222 PolarHBondContact O-N 3.3Å
223	R	93.7	Very high	93.4	Very high	19 Å²	19	58.5 Å²	58.5	7%	0.072	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	114.1	-180	178.5	176.9	160.7	-110.7	-12.1	110.4	M218 E219 A225 F241 Y257	M218-R223 CarbonylContact C-O 3.48Å; M218-R223 WeakPolarHBondContact CA-O 3.22Å; E219-R223 PolarHBondContact N-O 3.02Å; E219-R223 WeakPolarHBondContact O-CB 3.29Å; E219-R223 PolarHBondContact O-N 2.86Å; E219-R223 VanDerWaalsContact O-N 3.08Å; E219-R223 IonicContact OE2-CZ 2.67Å; E219-R223 IonicContact OE2-NH1 3.84Å; E219-R223 PolarHBondContact OE2-NH1 3.19Å; E219-R223 IonicContact OE2-NH2 2.84Å; R223-A225 PolarHBondContact O-N 3.12Å; R223-F241 PolarHBondContact NH2-O 2.93Å; R223-Y257 HydrophobicContact CB-CD1 4.4Å; R223-Y257 HydrophobicContact CB-CD2 3.91Å; R223-Y257 HydrophobicContact CB-CE2 4.45Å; R223-Y257 HydrophobicContact CB-CG 3.87Å; R223-Y257 HydrophobicContact CG-CD1 3.96Å; R223-Y257 HydrophobicContact CG-CD2 4.14Å; R223-Y257 HydrophobicContact CG-CE1 4.14Å; R223-Y257 HydrophobicContact CG-CE2 4.34Å; R223-Y257 HydrophobicContact CG-CG 3.94Å
224	L	96	Very high	93.5	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	106.7	166.9	178.4	56.9	0	0	0	109.1	T216 M218 S226 I227 F241 V321 H323	T216-L224 HydrophobicContact CG2-CD1 3.97Å; T216-L224 HydrophobicContact CG2-CD2 4.32Å; M218-L224 HydrophobicContact SD-CB 3.85Å; M218-L224 HydrophobicContact SD-CD1 3.89Å; M218-L224 HydrophobicContact SD-CG 4.48Å; L224-S226 WeakPolarHBondContact CD1-O 3.45Å; L224-I227 HydrophobicContact CD1-CG1 4.47Å; L224-I227 HydrophobicContact CD2-CD1 4.34Å; L224-I227 HydrophobicContact CD2-CG1 4.18Å; L224-F241 HydrophobicContact CD2-CE2 4.01Å; L224-F241 HydrophobicContact CG-CD2 4.13Å; L224-F241 HydrophobicContact CG-CE2 3.98Å; L224-F241 WeakPolarHBondContact O-CD2 3.5Å; L224-V321 HydrophobicContact CD2-CG1 3.46Å; L224-V321 VanDerWaalsContact CD2-CG1 3.46Å; L224-H323 HydrophobicContact CB-CB 4.37Å; L224-H323 HydrophobicContact CD2-CB 4.06Å; L224-H323 HydrophobicContact CG-CB 4.48Å; L224-H323 PolarHBondContact O-CE1 2.82Å
225	A	96.6	Very high	93.4	Very high	5 Å²	5	55.8 Å²	55.8	4%	0.041	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	-39.2	-175.9	0	0	0	0	0	112	H217 E219 R223 F241	H217-A225 PolarHBondContact O-N 3.27Å; E219-A225 HydrophobicContact CB-CB 4.11Å; E219-A225 HydrophobicContact CG-CB 3.6Å; E219-A225 WeakPolarHBondContact OE1-CB 3.48Å; R223-A225 PolarHBondContact O-N 3.12Å; A225-F241 PolarHBondContact O-N 3.44Å
226	S	98.1	Very high	93.5	Very high	11 Å²	11	55.2 Å²	55.2	8%	0.077	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	161.5	176.1	59	0	0	0	0	113.2	H217 L224 K238 I239	H217-S226 PolarHBondContact N-O 2.87Å; H217-S226 PolarHBondContact O-N 3.36Å; L224-S226 WeakPolarHBondContact CD1-O 3.45Å; S226-K238 WeakPolarHBondContact OG-CE 3.47Å; S226-I239 CarbonylContact C-O 3.51Å; S226-I239 WeakPolarHBondContact CA-O 3.43Å; S226-I239 WeakPolarHBondContact CB-O 3.27Å
227	I	98.4	Very high	93.5	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	129	167.4	-60.3	162.4	0	0	0	107.1	A206 L214 Q215 L224 K238 I239 F241 V321	A206-I227 HydrophobicContact CB-CD1 4.05Å; L214-I227 HydrophobicContact CB-CG2 3.96Å; L214-I227 HydrophobicContact CD2-CG2 4.02Å; Q215-I227 CarbonylContact O-C 3.56Å; Q215-I227 VanDerWaalsContact O-CA 3.28Å; Q215-I227 WeakPolarHBondContact O-CA 3.45Å; L224-I227 HydrophobicContact CD1-CG1 4.47Å; L224-I227 HydrophobicContact CD2-CD1 4.34Å; L224-I227 HydrophobicContact CD2-CG1 4.18Å; I227-K238 CarbonylContact O-C 3.48Å; I227-K238 WeakPolarHBondContact O-CA 3.27Å; I227-I239 HydrophobicContact CB-CB 4.34Å; I227-I239 PolarHBondContact N-O 3.43Å; I227-I239 PolarHBondContact O-N 3.24Å; I227-F241 HydrophobicContact CD1-CE2 3.78Å; I227-F241 HydrophobicContact CD1-CZ 3.77Å; I227-F241 HydrophobicContact CG1-CE2 3.96Å; I227-F241 HydrophobicContact CG1-CZ 4.43Å; I227-V321 HydrophobicContact CD1-CB 3.91Å; I227-V321 HydrophobicContact CD1-CG1 3.62Å; I227-V321 HydrophobicContact CG1-CG1 4.08Å
228	T	98.4	Very high	93.6	Very high	43 Å²	43	55 Å²	55	26%	0.264	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	142.3	163.1	54.6	0	0	0	0	108.6	Q215 H217 F237 K238	Q215-T228 PolarHBondContact N-O 3.39Å; Q215-T228 PolarHBondContact O-N 2.87Å; H217-T228 WeakPolarHBondContact NE2-CG2 3.26Å; H217-T228 PolarHBondContact NE2-OG1 2.81Å; T228-F237 WeakPolarHBondContact CA-O 3.33Å; T228-K238 HydrophobicContact CG2-CG 4.27Å
229	G	96.9	Very high	93.8	Very high	8 Å²	8	52.1 Å²	52.1	8%	0.082	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	168.2	178.1	0	0	0	0	0	112.8	S213 N236 F237	S213-G229 WeakPolarHBondContact O-CA 3.32Å; G229-N236 CarbonylContact O-C 3.5Å; G229-N236 WeakPolarHBondContact O-CA 3.38Å; G229-F237 VanDerWaalsContact C-CE1 3.45Å; G229-F237 PolarHBondContact N-O 2.71Å; G229-F237 WeakPolarHBondContact O-CD1 3.42Å; G229-F237 PolarHBondContact O-N 2.92Å
230	F	96.6	Very high	94.1	Very high	100 Å²	100	49 Å²	49	44%	0.439	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	138.7	172.8	174.1	-94.1	0	0	0	109.2	G212 S213 G235	G212-F230 CarbonylContact C-O 3.59Å; G212-F230 WeakPolarHBondContact CA-O 3.37Å; S213-F230 PolarHBondContact N-O 3.23Å; S213-F230 PolarHBondContact O-N 2.82Å; F230-G235 WeakPolarHBondContact CA-O 3.4Å
231	S	94.7	Very high	95	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.007	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	159.6	160.5	80.9	0	0	0	0	109.8	E233 L234 G235	S231-E233 PolarHBondContact O-N 3.15Å; S231-E233 VanDerWaalsContact O-N 3.16Å; S231-L234 PolarHBondContact O-N 3.44Å; S231-L234 VanDerWaalsContact OG-CB 3.31Å; S231-L234 WeakPolarHBondContact OG-CB 3.32Å; S231-L234 PolarHBondContact OG-N 3.04Å; S231-L234 VanDerWaalsContact OG-N 3.17Å; S231-G235 PolarHBondContact N-O 3.01Å; S231-G235 WeakPolarHBondContact O-CA 3.31Å; S231-G235 PolarHBondContact O-N 2.82Å
232	E	93.6	Very high	96	Very high	122 Å²	122	39.4 Å²	39.4	57%	0.57	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-37.1	-179.1	-170.8	-177.7	-178.3	0	0	112.3	R112 Q211	R112-E232 IonicContact CZ-OE2 3.69Å; R112-E232 VanDerWaalsContact CZ-OE2 3.25Å; R112-E232 IonicContact NH1-OE2 3.51Å; R112-E232 PolarHBondContact NH1-OE2 2.94Å; R112-E232 IonicContact NH2-OE2 3.88Å; R112-E232 PolarHBondContact NH2-OE2 3.26Å; Q211-E232 PolarHBondContact OE1-OE2 2.9Å
233	E	93	Very high	96.6	Very high	49 Å²	49	38 Å²	38	23%	0.229	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-17	-173.9	-61.8	171.5	158.4	0	0	114.3	F94 S110 H178 S231	F94-E233 HydrophobicContact CZ-CB 4.27Å; S110-E233 WeakPolarHBondContact CB-OE2 3.19Å; S110-E233 PolarHBondContact OG-OE1 3.23Å; S110-E233 PolarHBondContact OG-OE2 3.48Å; H178-E233 PolarHBondContact CD2-O 2.92Å; H178-E233 VanDerWaalsContact CD2-O 3.31Å; S231-E233 PolarHBondContact O-N 3.15Å; S231-E233 VanDerWaalsContact O-N 3.16Å
234	L	95.6	Very high	96.7	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-16.1	176.4	-70.6	168.2	0	0	0	112.8	F94 W95 T108 V114 H178 S231 F237 F337	F94-L234 HydrophobicContact CE1-CD2 3.75Å; W95-L234 HydrophobicContact CH2-CD1 4.44Å; W95-L234 HydrophobicContact CZ2-CD1 3.82Å; W95-L234 HydrophobicContact CZ2-CD2 3.62Å; W95-L234 HydrophobicContact CZ2-CG 4.4Å; T108-L234 HydrophobicContact CG2-CD2 3.93Å; T108-L234 HydrophobicContact CG2-CG 4.49Å; V114-L234 HydrophobicContact CB-CD1 3.86Å; V114-L234 HydrophobicContact CG2-CD1 3.95Å; H178-L234 WeakPolarHBondContact CB-O 3.45Å; H178-L234 VanDerWaalsContact CG-O 3.3Å; S231-L234 PolarHBondContact O-N 3.44Å; S231-L234 VanDerWaalsContact OG-CB 3.31Å; S231-L234 WeakPolarHBondContact OG-CB 3.32Å; S231-L234 PolarHBondContact OG-N 3.04Å; S231-L234 VanDerWaalsContact OG-N 3.17Å; L234-F237 HydrophobicContact CB-CD1 3.95Å; L234-F237 HydrophobicContact CB-CE1 4.42Å; L234-F237 HydrophobicContact CD1-CD1 4.18Å; L234-F237 HydrophobicContact CD1-CE1 4.1Å; L234-F337 HydrophobicContact CD1-CZ 4.5Å; L234-F337 HydrophobicContact CD2-CZ 4.05Å
235	G	96	Very high	96.6	Very high	9 Å²	9	38.6 Å²	38.6	9%	0.093	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	58.8	-149.9	-163.1	0	0	0	0	0	110.6	F230 S231	F230-G235 WeakPolarHBondContact CA-O 3.4Å; S231-G235 PolarHBondContact N-O 3.01Å; S231-G235 WeakPolarHBondContact O-CA 3.31Å; S231-G235 PolarHBondContact O-N 2.82Å
236	N	97.9	Very high	96.1	Very high	111 Å²	111	40.6 Å²	40.6	59%	0.594	20%	0.2	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-73.1	141.6	172.5	-64.9	-51.8	0	0	0	110.4	G229 G340	G229-N236 CarbonylContact O-C 3.5Å; G229-N236 WeakPolarHBondContact O-CA 3.38Å; N236-G340 VanDerWaalsContact O-CA 3.24Å; N236-G340 WeakPolarHBondContact O-CA 2.98Å; N236-G340 PolarHBondContact O-N 3.4Å
237	F	98.1	Very high	94.7	Very high	8 Å²	8	42.6 Å²	42.6	4%	0.035	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	164.5	174	64.2	-93	0	0	0	111.9	V114 L214 T228 G229 L234 I239 F337 E338	V114-F237 HydrophobicContact CG1-CZ 4.13Å; V114-F237 HydrophobicContact CG2-CE1 4.22Å; V114-F237 HydrophobicContact CG2-CZ 4.13Å; L214-F237 HydrophobicContact CD2-CE2 4.15Å; L214-F237 HydrophobicContact CD2-CZ 3.76Å; T228-F237 WeakPolarHBondContact CA-O 3.33Å; G229-F237 VanDerWaalsContact C-CE1 3.45Å; G229-F237 PolarHBondContact N-O 2.71Å; G229-F237 WeakPolarHBondContact O-CD1 3.42Å; G229-F237 PolarHBondContact O-N 2.92Å; L234-F237 HydrophobicContact CB-CD1 3.95Å; L234-F237 HydrophobicContact CB-CE1 4.42Å; L234-F237 HydrophobicContact CD1-CD1 4.18Å; L234-F237 HydrophobicContact CD1-CE1 4.1Å; F237-I239 HydrophobicContact CD2-CG1 4.27Å; F237-I239 HydrophobicContact CE2-CD1 4.16Å; F237-I239 HydrophobicContact CE2-CG1 4.32Å; F237-F337 HydrophobicContact CB-CE1 4.34Å; F237-F337 HydrophobicContact CB-CE2 3.6Å; F237-F337 HydrophobicContact CB-CZ 3.47Å; F237-F337 VanDerWaalsContact CB-CZ 3.47Å; F237-F337 HydrophobicContact CD1-CE2 4.34Å; F237-F337 HydrophobicContact CD2-CD2 4.09Å; F237-F337 AromaticContact CD2-CE2 3.44Å; F237-F337 HydrophobicContact CD2-CE2 3.44Å; F237-F337 VanDerWaalsContact CD2-CE2 3.44Å; F237-F337 HydrophobicContact CD2-CZ 4.22Å; F237-F337 HydrophobicContact CE2-CE2 4.19Å; F237-F337 AromaticContact CG-CE2 3.53Å; F237-F337 HydrophobicContact CG-CE2 3.53Å; F237-F337 AromaticContact CG-CZ 3.84Å; F237-F337 HydrophobicContact CG-CZ 3.84Å; F237-E338 WeakPolarHBondContact CA-O 3.43Å
238	K	98.4	Very high	92.7	Very high	86 Å²	86	51.3 Å²	51.3	37%	0.374	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	132.4	174.7	-174.3	178	-179.7	178.9	0	111	S226 I227 T228 T240 F337 E338	S226-K238 WeakPolarHBondContact OG-CE 3.47Å; I227-K238 CarbonylContact O-C 3.48Å; I227-K238 WeakPolarHBondContact O-CA 3.27Å; T228-K238 HydrophobicContact CG2-CG 4.27Å; K238-T240 WeakPolarHBondContact CE-OG1 3.5Å; K238-F337 WeakPolarHBondContact O-CA 3.49Å; K238-E338 PolarHBondContact N-O 3.41Å; K238-E338 PolarHBondContact O-N 2.96Å
239	I	98.7	Very high	90.6	Very high	4 Å²	4	55.9 Å²	55.9	2%	0.021	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	124.8	168.5	-59.2	170.5	0	0	0	108.4	T116 A206 S226 I227 F237 F241 V335 L336 F337	T116-I239 HydrophobicContact CG2-CD1 3.83Å; A206-I239 HydrophobicContact CB-CD1 3.78Å; S226-I239 CarbonylContact C-O 3.51Å; S226-I239 WeakPolarHBondContact CA-O 3.43Å; S226-I239 WeakPolarHBondContact CB-O 3.27Å; I227-I239 HydrophobicContact CB-CB 4.34Å; I227-I239 PolarHBondContact N-O 3.43Å; I227-I239 PolarHBondContact O-N 3.24Å; F237-I239 HydrophobicContact CD2-CG1 4.27Å; F237-I239 HydrophobicContact CE2-CD1 4.16Å; F237-I239 HydrophobicContact CE2-CG1 4.32Å; I239-F241 HydrophobicContact CG2-CE1 3.94Å; I239-F241 HydrophobicContact CG2-CE2 4.43Å; I239-F241 HydrophobicContact CG2-CZ 3.84Å; I239-V335 HydrophobicContact CG2-CG1 3.94Å; I239-L336 CarbonylContact C-O 3.54Å; I239-L336 WeakPolarHBondContact CA-O 3.49Å; I239-F337 HydrophobicContact CD1-CD2 4.44Å; I239-F337 HydrophobicContact CG1-CD2 3.89Å
240	T	98.6	Very high	89	Confident	26 Å²	26	60.8 Å²	60.8	16%	0.16	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	131.2	-178.1	-59.6	0	0	0	0	111	K238 V335 L336	K238-T240 WeakPolarHBondContact CE-OG1 3.5Å; T240-V335 WeakPolarHBondContact O-CA 3.13Å; T240-L336 PolarHBondContact N-O 2.93Å; T240-L336 PolarHBondContact O-N 3.35Å
241	F	97.9	Very high	88.1	Confident	4 Å²	4	59.4 Å²	59.4	2%	0.018	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	108.2	177.7	-53.8	-71.2	0	0	0	111	F204 R223 L224 A225 I227 I239 H323 V335	F204-F241 HydrophobicContact CB-CD1 4.01Å; F204-F241 HydrophobicContact CB-CE1 3.52Å; F204-F241 HydrophobicContact CB-CZ 4.44Å; F204-F241 HydrophobicContact CD2-CD1 4.38Å; F204-F241 HydrophobicContact CG-CD1 4.39Å; F204-F241 HydrophobicContact CG-CE1 4.34Å; R223-F241 PolarHBondContact NH2-O 2.93Å; L224-F241 HydrophobicContact CD2-CE2 4.01Å; L224-F241 HydrophobicContact CG-CD2 4.13Å; L224-F241 HydrophobicContact CG-CE2 3.98Å; L224-F241 WeakPolarHBondContact O-CD2 3.5Å; A225-F241 PolarHBondContact O-N 3.44Å; I227-F241 HydrophobicContact CD1-CE2 3.78Å; I227-F241 HydrophobicContact CD1-CZ 3.77Å; I227-F241 HydrophobicContact CG1-CE2 3.96Å; I227-F241 HydrophobicContact CG1-CZ 4.43Å; I239-F241 HydrophobicContact CG2-CE1 3.94Å; I239-F241 HydrophobicContact CG2-CE2 4.43Å; I239-F241 HydrophobicContact CG2-CZ 3.84Å; F241-H323 HydrophobicContact CD1-CB 4.29Å; F241-H323 AromaticContact CD1-CD2 3.84Å; F241-H323 HydrophobicContact CD2-CB 4.04Å; F241-H323 AromaticContact CD2-CD2 3.99Å; F241-H323 HydrophobicContact CE1-CB 4.19Å; F241-H323 HydrophobicContact CE2-CB 3.91Å; F241-H323 HydrophobicContact CG-CB 4.23Å; F241-H323 AromaticContact CG-CD2 3.52Å; F241-H323 HydrophobicContact CZ-CB 3.99Å; F241-V335 HydrophobicContact CD1-CB 4.49Å; F241-V335 HydrophobicContact CD1-CG1 3.76Å; F241-V335 HydrophobicContact CD1-CG2 3.99Å; F241-V335 HydrophobicContact CE1-CG1 3.78Å
242	R	96.1	Very high	87.6	Confident	125 Å²	125	64.1 Å²	64.1	47%	0.472	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-77	152.9	-179.7	-62.3	-82.1	-67.2	173.9	1.9	111.2	E334 L336	R242-E334 HydrophobicContact CB-CB 4.34Å; R242-E334 VanDerWaalsContact CB-O 3.25Å; R242-E334 WeakPolarHBondContact CB-O 3.43Å; R242-E334 HydrophobicContact CG-CB 4.14Å; R242-E334 WeakPolarHBondContact CG-O 3.44Å; R242-E334 PolarHBondContact N-O 3.08Å; R242-L336 HydrophobicContact CG-CD1 3.67Å
243	K	95.3	Very high	87.5	Confident	67 Å²	67	60.2 Å²	60.2	29%	0.291	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-68.3	147.3	172.7	-64	-171.1	-179.7	-171.9	0	110.1	E220 T252	E220-K243 IonicContact OE1-NZ 2.93Å; E220-K243 PolarHBondContact OE1-NZ 2.63Å; E220-K243 IonicContact OE2-NZ 3.6Å; E220-K243 PolarHBondContact OE2-NZ 2.8Å; K243-T252 HydrophobicContact CB-CG2 4.27Å; K243-T252 HydrophobicContact CD-CG2 4.34Å
244	P	95.6	Very high	87.6	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-66	144.8	175.4	22.9	-27.8	0	0	0	112	K253 A255 Y257 V325 V327 F331 Q332 I333	P244-K253 HydrophobicContact CB-CB 4.42Å; P244-K253 PolarHBondContact O-N 2.85Å; P244-A255 HydrophobicContact CG-CB 3.58Å; P244-Y257 WeakPolarHBondContact CD-OH 3.31Å; P244-V325 HydrophobicContact CG-CG2 4.26Å; P244-V327 HydrophobicContact CB-CG2 4.11Å; P244-V327 HydrophobicContact CG-CB 4.44Å; P244-V327 HydrophobicContact CG-CG2 4.14Å; P244-F331 HydrophobicContact CB-CB 4.37Å; P244-Q332 WeakPolarHBondContact CA-O 3.22Å; P244-I333 HydrophobicContact CB-CD1 3.97Å; P244-I333 HydrophobicContact CB-CG1 3.59Å; P244-I333 HydrophobicContact CG-CG1 4.48Å
245	V	94.4	Very high	87.6	Confident	31 Å²	31	62.4 Å²	62.4	19%	0.188	34%	0.341	C	S	.	.	B	Isolated β-bridge	trans	-127.9	163	177.3	-61.2	0	0	0	0	111.3	F331 Q332	V245-F331 CarbonylContact O-C 3.54Å; V245-F331 WeakPolarHBondContact O-CA 3.42Å; V245-Q332 HydrophobicContact CG2-CB 4.09Å; V245-Q332 PolarHBondContact N-O 3.15Å; V245-Q332 PolarHBondContact O-N 3.38Å
246	T	85.8	Confident	87.6	Confident	47 Å²	47	62.5 Å²	62.5	29%	0.288	34%	0.34	S	S	.	.	S	Bend	trans	-109.5	111.9	175.8	8.9	0	0	0	0	111.2	K253 P330	T246-K253 HydrophobicContact CG2-CD 4.09Å; T246-P330 WeakPolarHBondContact CG2-O 3.49Å
247	G	68.4	Low	87.6	Confident	53 Å²	53	58.8 Å²	58.8	55%	0.546	32%	0.318	S	S	.	.	S	Bend	trans	65.4	-159	-177.8	0	0	0	0	0	112.8	L249	G247-L249 VanDerWaalsContact C-N 3.3Å
248	E	57.4	Low	87.5	Confident	182 Å²	182	58.8 Å²	58.8	85%	0.85	32%	0.318	S	S	*	.	S	Bend	trans	-78	-17.5	175.3	-63.7	-175.5	168	0	0	112.7	S250	E248-S250 PolarHBondContact O-N 2.9Å
249	L	54.1	Low	87.4	Confident	139 Å²	139	58.9 Å²	58.9	73%	0.728	32%	0.317	S	S	*	.	S	Bend	trans	-71.4	120.6	176.4	-69.7	163.1	0	0	0	109.2	G247 S251	G247-L249 VanDerWaalsContact C-N 3.3Å; L249-S251 PolarHBondContact O-N 3.47Å
250	S	62.8	Low	87.3	Confident	112 Å²	112	58.9 Å²	58.9	78%	0.783	32%	0.317	S	S	*	.			trans	-70.8	18.6	-168.7	-42.7	0	0	0	0	115.6	E248 T252	E248-S250 PolarHBondContact O-N 2.9Å; S250-T252 PolarHBondContact O-N 3.22Å
251	S	77.6	Confident	87.2	Confident	71 Å²	71	62.1 Å²	62.1	50%	0.497	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-70.1	121	176.9	62	0	0	0	0	109.9	L249 K253	L249-S251 PolarHBondContact O-N 3.47Å; S251-K253 PolarHBondContact O-N 2.95Å
252	T	85.3	Confident	87.1	Confident	99 Å²	99	63.5 Å²	63.5	61%	0.607	34%	0.339	S	S	*	.	B	Isolated β-bridge	trans	-65.3	129.2	177.3	46.9	0	0	0	0	110.7	K243 S250	K243-T252 HydrophobicContact CB-CG2 4.27Å; K243-T252 HydrophobicContact CD-CG2 4.34Å; S250-T252 PolarHBondContact O-N 3.22Å
253	K	91.6	Very high	87	Confident	41 Å²	41	60.9 Å²	60.9	18%	0.178	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-83.2	143	175.4	-164.8	170.2	-162.9	172.1	0	110.1	P244 T246 S251 A255 V327 Q328 T329 P330 F331	P244-K253 HydrophobicContact CB-CB 4.42Å; P244-K253 PolarHBondContact O-N 2.85Å; T246-K253 HydrophobicContact CG2-CD 4.09Å; S251-K253 PolarHBondContact O-N 2.95Å; K253-A255 PolarHBondContact O-N 2.81Å; K253-V327 HydrophobicContact CD-CG2 3.83Å; K253-V327 HydrophobicContact CG-CG2 4.2Å; K253-Q328 WeakPolarHBondContact CE-O 3.29Å; K253-Q328 PolarHBondContact NZ-O 2.89Å; K253-T329 PolarHBondContact NZ-O 3.22Å; K253-P330 PolarHBondContact NZ-O 2.86Å; K253-F331 HydrophobicContact CD-CB 4.19Å
254	Y	93.5	Very high	86.8	Confident	82 Å²	82	57.9 Å²	57.9	32%	0.322	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-57.6	132.7	171.7	176	-90.8	0	0	0	110.6	S256 F284 S285 P286 P287	Y254-S256 PolarHBondContact OH-OG 2.89Å; Y254-F284 AromaticContact CD1-CE2 3.99Å; Y254-F284 HydrophobicContact CD1-CE2 3.99Å; Y254-F284 AromaticContact CD1-CZ 3.89Å; Y254-F284 HydrophobicContact CD1-CZ 3.89Å; Y254-F284 HydrophobicContact CE1-CD2 4.01Å; Y254-F284 HydrophobicContact CE1-CE1 4.38Å; Y254-F284 AromaticContact CE1-CE2 3.63Å; Y254-F284 HydrophobicContact CE1-CE2 3.63Å; Y254-F284 AromaticContact CE1-CZ 3.84Å; Y254-F284 HydrophobicContact CE1-CZ 3.84Å; Y254-S285 WeakPolarHBondContact CE2-O 3.33Å; Y254-S285 WeakPolarHBondContact OH-CA 3.31Å; Y254-S285 PolarHBondContact OH-N 3.26Å; Y254-S285 PolarHBondContact OH-O 3.05Å; Y254-S285 VanDerWaalsContact OH-O 3.05Å; Y254-P286 HydrophobicContact CD1-CB 3.66Å; Y254-P286 HydrophobicContact CE1-CB 3.97Å; Y254-P286 HydrophobicContact CG-CB 4.19Å; Y254-P287 HydrophobicContact CD2-CG 4.4Å
255	A	95.4	Very high	86.6	Confident	13 Å²	13	59.8 Å²	59.8	11%	0.107	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	153.7	174.7	0	0	0	0	0	110.9	P244 K253 Y257 V325 T326 V327	P244-A255 HydrophobicContact CG-CB 3.58Å; K253-A255 PolarHBondContact O-N 2.81Å; A255-Y257 HydrophobicContact CB-CE1 4.33Å; A255-Y257 HydrophobicContact CB-CE2 4.32Å; A255-V325 HydrophobicContact CB-CG2 3.87Å; A255-T326 VanDerWaalsContact CA-O 3.27Å; A255-T326 WeakPolarHBondContact CA-O 3.2Å; A255-T326 WeakPolarHBondContact CB-O 3.26Å; A255-V327 HydrophobicContact CB-CB 4.1Å
256	S	96.4	Very high	86.4	Confident	12 Å²	12	58.9 Å²	58.9	8%	0.084	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	143.4	170.9	-54.6	0	0	0	0	109.8	Y254 F284 T326	Y254-S256 PolarHBondContact OH-OG 2.89Å; S256-F284 VanDerWaalsContact OG-CD2 3.28Å; S256-F284 WeakPolarHBondContact OG-CD2 3.46Å; S256-T326 PolarHBondContact N-O 3.34Å; S256-T326 PolarHBondContact O-N 3.41Å
257	Y	97.3	Very high	86.8	Confident	32 Å²	32	57.3 Å²	57.3	13%	0.125	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	142.6	-172.5	-56.4	-80.1	0	0	0	111.8	R223 P244 A255 H323 Q324 V325	R223-Y257 HydrophobicContact CB-CD1 4.4Å; R223-Y257 HydrophobicContact CB-CD2 3.91Å; R223-Y257 HydrophobicContact CB-CE2 4.45Å; R223-Y257 HydrophobicContact CB-CG 3.87Å; R223-Y257 HydrophobicContact CG-CD1 3.96Å; R223-Y257 HydrophobicContact CG-CD2 4.14Å; R223-Y257 HydrophobicContact CG-CE1 4.14Å; R223-Y257 HydrophobicContact CG-CE2 4.34Å; R223-Y257 HydrophobicContact CG-CG 3.94Å; P244-Y257 WeakPolarHBondContact CD-OH 3.31Å; A255-Y257 HydrophobicContact CB-CE1 4.33Å; A255-Y257 HydrophobicContact CB-CE2 4.32Å; Y257-H323 AromaticContact CD1-CE1 3.59Å; Y257-H323 AromaticContact CD1-NE2 3.92Å; Y257-Q324 WeakPolarHBondContact CA-O 3.38Å; Y257-V325 HydrophobicContact CD1-CB 4.07Å; Y257-V325 HydrophobicContact CD1-CG2 4.03Å; Y257-V325 HydrophobicContact CE1-CB 4.07Å; Y257-V325 HydrophobicContact CE1-CG2 3.61Å
258	N	97.3	Very high	88	Confident	8 Å²	8	56.5 Å²	56.5	4%	0.043	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	163.8	168.8	-57.9	76.9	0	0	0	108.7	F282 Y294 V297 Q324	N258-F282 WeakPolarHBondContact ND2-CD1 3.23Å; N258-F282 WeakPolarHBondContact ND2-CD2 3.33Å; N258-F282 VanDerWaalsContact ND2-CE1 3.27Å; N258-F282 WeakPolarHBondContact ND2-CE1 3.48Å; N258-F282 WeakPolarHBondContact ND2-CE2 3.22Å; N258-F282 WeakPolarHBondContact ND2-CZ 3.35Å; N258-Y294 VanDerWaalsContact OD1-CE2 3.28Å; N258-Y294 WeakPolarHBondContact OD1-CE2 3.48Å; N258-Y294 VanDerWaalsContact OD1-CZ 3.31Å; N258-Y294 PolarHBondContact OD1-OH 2.69Å; N258-V297 HydrophobicContact CB-CG2 3.63Å; N258-V297 WeakPolarHBondContact CB-O 3.36Å; N258-V297 PolarHBondContact ND2-O 2.82Å; N258-Q324 HydrophobicContact CB-CB 4.1Å; N258-Q324 PolarHBondContact N-O 3.37Å; N258-Q324 PolarHBondContact O-N 2.93Å
259	Y	96.8	Very high	89.7	Confident	88 Å²	88	51.8 Å²	51.8	35%	0.345	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	157.3	170.2	79.1	-75.6	0	0	0	110.5	M218 Q261 V322	M218-Y259 HydrophobicContact CE-CD1 3.34Å; M218-Y259 HydrophobicContact CE-CE1 3.37Å; M218-Y259 HydrophobicContact CE-CG 4.05Å; M218-Y259 HydrophobicContact SD-CD1 3.98Å; M218-Y259 HydrophobicContact SD-CD2 4.31Å; M218-Y259 HydrophobicContact SD-CE1 4Å; M218-Y259 HydrophobicContact SD-CE2 4.32Å; M218-Y259 HydrophobicContact SD-CG 4.14Å; Y259-Q261 HydrophobicContact CE2-CB 4.41Å; Y259-V322 CarbonylContact C-O 3.58Å; Y259-V322 WeakPolarHBondContact CA-O 3.28Å; Y259-V322 WeakPolarHBondContact CB-O 3.28Å
260	L	96.7	Very high	91.8	Very high	5 Å²	5	45.2 Å²	45.2	3%	0.026	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	131.3	170	172.9	68.5	0	0	0	107.5	T262 I273 V297 D298 V321 V322	L260-T262 HydrophobicContact CD1-CG2 4.39Å; L260-T262 HydrophobicContact CD2-CG2 4.13Å; L260-T262 HydrophobicContact CG-CG2 4.14Å; L260-I273 HydrophobicContact CD2-CG2 4.16Å; L260-V297 HydrophobicContact CB-CB 4.25Å; L260-V297 HydrophobicContact CB-CG2 4.31Å; L260-D298 WeakPolarHBondContact CD1-O 3.2Å; L260-V321 CarbonylContact O-C 2.94Å; L260-V321 WeakPolarHBondContact O-CA 3.34Å; L260-V322 HydrophobicContact CB-CB 4.18Å; L260-V322 HydrophobicContact CB-CG2 4.45Å; L260-V322 HydrophobicContact CD2-CG2 4.4Å; L260-V322 PolarHBondContact N-O 3.39Å; L260-V322 PolarHBondContact O-N 2.76Å
261	Q	95.8	Very high	93.3	Very high	94 Å²	94	40.9 Å²	40.9	44%	0.439	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	123.1	166.4	178.9	174.9	13.3	0	0	107.5	T216 Y259 V321	T216-Q261 HydrophobicContact CG2-CG 4.48Å; T216-Q261 PolarHBondContact OG1-OE1 2.57Å; Y259-Q261 HydrophobicContact CE2-CB 4.41Å; Q261-V321 HydrophobicContact CG-CG2 4.19Å
262	T	95.6	Very high	94.2	Very high	32 Å²	32	41.2 Å²	41.2	20%	0.196	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	-175.3	-177.5	-164.2	0	0	0	0	110.1	L260 I273 Y300 F320	L260-T262 HydrophobicContact CD1-CG2 4.39Å; L260-T262 HydrophobicContact CD2-CG2 4.13Å; L260-T262 HydrophobicContact CG-CG2 4.14Å; T262-I273 HydrophobicContact CG2-CG2 3.82Å; T262-Y300 HydrophobicContact CG2-CD1 4.41Å; T262-F320 HydrophobicContact CG2-CB 4.34Å; T262-F320 HydrophobicContact CG2-CD1 3.84Å; T262-F320 PolarHBondContact N-O 2.89Å; T262-F320 PolarHBondContact O-N 3.18Å; T262-F320 VanDerWaalsContact O-O 3.07Å
263	L	93.6	Very high	94.7	Very high	70 Å²	70	36.6 Å²	36.6	37%	0.366	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	145.4	173.8	-57.1	176.4	0	0	0	109.4	E317 S318 D319	L263-E317 HydrophobicContact CB-CB 3.88Å; L263-E317 HydrophobicContact CD1-CB 4.25Å; L263-E317 WeakPolarHBondContact CD1-OE2 3.32Å; L263-S318 CarbonylContact C-O 3.56Å; L263-S318 WeakPolarHBondContact CA-O 3.45Å; L263-D319 WeakPolarHBondContact CD2-OD1 3.15Å
264	S	92.6	Very high	95	Very high	4 Å²	4	34.7 Å²	34.7	3%	0.028	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	135.2	173.8	-171	0	0	0	0	110.6	G266 I273 E317 S318	S264-G266 PolarHBondContact O-N 2.67Å; S264-G266 PolarHBondContact OG-N 3.47Å; S264-G266 PolarHBondContact OG-O 2.99Å; S264-I273 WeakPolarHBondContact OG-CD1 3.42Å; S264-E317 WeakPolarHBondContact O-CA 3.19Å; S264-S318 PolarHBondContact N-O 3.49Å; S264-S318 PolarHBondContact O-N 2.62Å
265	P	90.2	Very high	95.1	Very high	40 Å²	40	35 Å²	35	26%	0.26	18%	0.176	S	C	.	.	S	Bend	trans	-75	-12.3	171.3	32.8	-36.2	0	0	0	112.8	K269	P265-K269 HydrophobicContact CG-CB 4.38Å; P265-K269 HydrophobicContact CG-CG 4.01Å
266	G	90.9	Very high	95.1	Very high	13 Å²	13	39 Å²	39	13%	0.134	20%	0.195	C	C	.	.			trans	178.4	158.5	-179.4	0	0	0	0	0	113.7	S264 E268 K269	S264-G266 PolarHBondContact O-N 2.67Å; S264-G266 PolarHBondContact OG-N 3.47Å; S264-G266 PolarHBondContact OG-O 2.99Å; G266-E268 VanDerWaalsContact CA-OE2 3.3Å; G266-E268 WeakPolarHBondContact CA-OE2 3.28Å; G266-E268 PolarHBondContact O-N 3.22Å; G266-K269 PolarHBondContact O-N 3.38Å
267	L	92.9	Very high	95.1	Very high	13 Å²	13	38.6 Å²	38.6	7%	0.068	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-67.8	-23.9	-177.4	-60.8	-175.3	0	0	0	113.1	V115 A207 D209 K269 L270 E483	V115-L267 HydrophobicContact CG1-CD1 3.8Å; V115-L267 HydrophobicContact CG2-CD1 4.13Å; V115-L267 HydrophobicContact CG2-CD2 3.59Å; V115-L267 HydrophobicContact CG2-CG 4.5Å; A207-L267 HydrophobicContact CB-CD2 4.03Å; D209-L267 HydrophobicContact CB-CD1 4.27Å; L267-K269 PolarHBondContact O-N 3.18Å; L267-L270 HydrophobicContact CD2-CD1 4.08Å; L267-L270 VanDerWaalsContact O-CG 3.3Å; L267-L270 WeakPolarHBondContact O-CG 3.31Å; L267-E483 VanDerWaalsContact CB-CD 3.45Å; L267-E483 HydrophobicContact CB-CG 3.57Å; L267-E483 WeakPolarHBondContact CD1-OE2 3.14Å
268	E	93.8	Very high	95	Very high	37 Å²	37	38.4 Å²	38.4	17%	0.173	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-69.4	-16	175.9	79.5	-70.8	177.1	0	0	113	G266 R315 D482	G266-E268 VanDerWaalsContact CA-OE2 3.3Å; G266-E268 WeakPolarHBondContact CA-OE2 3.28Å; G266-E268 PolarHBondContact O-N 3.22Å; E268-R315 IonicContact OE1-CZ 2.83Å; E268-R315 IonicContact OE1-NH1 2.68Å; E268-R315 PolarHBondContact OE1-NH1 3.32Å; E268-R315 IonicContact OE1-NH2 3.19Å; E268-D482 HydrophobicContact CG-CB 4.39Å
269	K	94.5	Very high	94.8	Very high	83 Å²	83	41 Å²	41	36%	0.361	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-96	-7.5	-178.1	-58.8	-55	-177.1	-176.7	0	114.5	P265 G266 L267 T271 D272 I273	P265-K269 HydrophobicContact CG-CB 4.38Å; P265-K269 HydrophobicContact CG-CG 4.01Å; G266-K269 PolarHBondContact O-N 3.38Å; L267-K269 PolarHBondContact O-N 3.18Å; K269-T271 VanDerWaalsContact C-N 3.33Å; K269-T271 PolarHBondContact O-N 3.02Å; K269-D272 PolarHBondContact O-N 3.04Å; K269-D272 VanDerWaalsContact O-N 3.09Å; K269-I273 HydrophobicContact CB-CD1 4.07Å; K269-I273 HydrophobicContact CB-CG1 4.42Å; K269-I273 WeakPolarHBondContact O-CG1 3.43Å; K269-I273 PolarHBondContact O-N 3.48Å
270	L	96.3	Very high	94.6	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-58.4	-42.2	-171.9	-59	-178.1	0	0	0	112.8	M119 Y205 A207 L267 D272 V274 F320	M119-L270 HydrophobicContact CE-CB 4.36Å; Y205-L270 HydrophobicContact CD2-CD1 4.35Å; Y205-L270 HydrophobicContact CE2-CD1 3.79Å; A207-L270 HydrophobicContact CB-CD1 4.1Å; A207-L270 HydrophobicContact CB-CD2 4.2Å; L267-L270 HydrophobicContact CD2-CD1 4.08Å; L267-L270 VanDerWaalsContact O-CG 3.3Å; L267-L270 WeakPolarHBondContact O-CG 3.31Å; L270-D272 VanDerWaalsContact C-N 3.35Å; L270-D272 PolarHBondContact O-N 2.85Å; L270-V274 WeakPolarHBondContact O-CG2 3.43Å; L270-V274 PolarHBondContact O-N 3.08Å; L270-F320 HydrophobicContact CB-CE1 4.42Å; L270-F320 HydrophobicContact CB-CE2 4.38Å; L270-F320 HydrophobicContact CB-CZ 3.99Å; L270-F320 HydrophobicContact CD1-CE2 4.31Å; L270-F320 HydrophobicContact CD2-CD1 3.91Å; L270-F320 HydrophobicContact CD2-CD2 3.75Å; L270-F320 HydrophobicContact CD2-CE1 3.95Å; L270-F320 HydrophobicContact CD2-CE2 3.76Å; L270-F320 HydrophobicContact CD2-CG 3.81Å; L270-F320 HydrophobicContact CD2-CZ 3.88Å; L270-F320 HydrophobicContact CG-CE2 4.35Å; L270-F320 HydrophobicContact CG-CZ 4.38Å
271	T	96.2	Very high	94.5	Very high	20 Å²	20	51.5 Å²	51.5	12%	0.123	25%	0.246	C	C	.	.	H	α-helix	trans	-61.5	-44.3	177.9	-46.1	0	0	0	0	111.6	L131 H133 K269 V274 K275	L131-T271 HydrophobicContact CD2-CG2 4.26Å; H133-T271 HydrophobicContact CB-CG2 4.31Å; H133-T271 PolarHBondContact ND1-OG1 2.93Å; K269-T271 VanDerWaalsContact C-N 3.33Å; K269-T271 PolarHBondContact O-N 3.02Å; T271-V274 PolarHBondContact O-N 2.84Å; T271-K275 HydrophobicContact CG2-CD 4.3Å; T271-K275 WeakPolarHBondContact O-CG 3.49Å; T271-K275 PolarHBondContact O-N 2.95Å
272	D	95.2	Very high	94.4	Very high	78 Å²	78	48.8 Å²	48.8	42%	0.417	23%	0.233	S	C	.	.	H	α-helix	trans	-70.5	-41.6	-176.3	-66.5	-21.2	0	0	0	110.9	K269 L270 V274 K275 L276	K269-D272 PolarHBondContact O-N 3.04Å; K269-D272 VanDerWaalsContact O-N 3.09Å; L270-D272 VanDerWaalsContact C-N 3.35Å; L270-D272 PolarHBondContact O-N 2.85Å; D272-V274 VanDerWaalsContact C-N 3.33Å; D272-V274 PolarHBondContact O-N 2.8Å; D272-K275 PolarHBondContact O-N 3.33Å; D272-L276 WeakPolarHBondContact O-CB 3.42Å; D272-L276 VanDerWaalsContact O-CG 3.26Å; D272-L276 WeakPolarHBondContact O-CG 3.48Å; D272-L276 PolarHBondContact O-N 3.45Å
273	I	96.6	Very high	94.4	Very high	3 Å²	3	50.5 Å²	50.5	2%	0.015	24%	0.243	C	C	.	.	H	α-helix	trans	-57	-48.3	173.5	-68.4	167.8	0	0	0	110.2	L260 T262 S264 K269 L276 S277 Y300 F320	L260-I273 HydrophobicContact CD2-CG2 4.16Å; T262-I273 HydrophobicContact CG2-CG2 3.82Å; S264-I273 WeakPolarHBondContact OG-CD1 3.42Å; K269-I273 HydrophobicContact CB-CD1 4.07Å; K269-I273 HydrophobicContact CB-CG1 4.42Å; K269-I273 WeakPolarHBondContact O-CG1 3.43Å; K269-I273 PolarHBondContact O-N 3.48Å; I273-L276 PolarHBondContact O-N 3.34Å; I273-S277 WeakPolarHBondContact O-CB 3.34Å; I273-S277 PolarHBondContact O-N 3.14Å; I273-S277 VanDerWaalsContact O-N 3.08Å; I273-Y300 HydrophobicContact CB-CE2 4.46Å; I273-Y300 HydrophobicContact CG1-CE1 4.17Å; I273-Y300 HydrophobicContact CG1-CE2 4.27Å; I273-Y300 HydrophobicContact CG2-CD1 4.03Å; I273-Y300 HydrophobicContact CG2-CD2 4.06Å; I273-Y300 HydrophobicContact CG2-CE1 4.33Å; I273-Y300 HydrophobicContact CG2-CE2 4.38Å; I273-Y300 HydrophobicContact CG2-CG 3.88Å; I273-F320 HydrophobicContact CB-CE1 4.2Å; I273-F320 HydrophobicContact CD1-CD1 4.48Å; I273-F320 HydrophobicContact CG2-CD1 3.95Å; I273-F320 HydrophobicContact CG2-CE1 3.82Å
274	V	97.3	Very high	94.4	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-60.6	-51.3	177	172.5	0	0	0	0	110.1	M119 L131 M203 L270 T271 D272 L276 S277 L278 V297 F320 V322	M119-V274 HydrophobicContact CE-CB 4.42Å; M119-V274 HydrophobicContact CE-CG2 3.82Å; M119-V274 HydrophobicContact SD-CB 4.06Å; M119-V274 HydrophobicContact SD-CG1 4.05Å; M119-V274 HydrophobicContact SD-CG2 3.92Å; L131-V274 HydrophobicContact CD1-CG1 4.44Å; L131-V274 HydrophobicContact CD2-CB 4.21Å; L131-V274 HydrophobicContact CD2-CG1 3.73Å; M203-V274 HydrophobicContact SD-CG1 3.73Å; L270-V274 WeakPolarHBondContact O-CG2 3.43Å; L270-V274 PolarHBondContact O-N 3.08Å; T271-V274 PolarHBondContact O-N 2.84Å; D272-V274 VanDerWaalsContact C-N 3.33Å; D272-V274 PolarHBondContact O-N 2.8Å; V274-L276 VanDerWaalsContact C-N 3.29Å; V274-L276 PolarHBondContact O-N 3.11Å; V274-S277 WeakPolarHBondContact O-CB 3.06Å; V274-S277 PolarHBondContact O-N 3.35Å; V274-S277 PolarHBondContact O-OG 2.95Å; V274-L278 WeakPolarHBondContact O-CG 3.34Å; V274-L278 PolarHBondContact O-N 3.1Å; V274-V297 HydrophobicContact CG1-CG1 4.22Å; V274-F320 HydrophobicContact CG2-CE1 3.96Å; V274-F320 HydrophobicContact CG2-CZ 3.79Å; V274-V322 HydrophobicContact CG2-CG2 3.95Å
275	K	95.4	Very high	94.5	Very high	88 Å²	88	49 Å²	49	38%	0.383	24%	0.239	S	C	.	.	H	α-helix	trans	-54	-43.7	179.1	-76.9	176.5	177.3	176.3	0	112.9	L131 T271 D272 S277 L278	L131-K275 HydrophobicContact CD2-CG 3.71Å; T271-K275 HydrophobicContact CG2-CD 4.3Å; T271-K275 WeakPolarHBondContact O-CG 3.49Å; T271-K275 PolarHBondContact O-N 2.95Å; D272-K275 PolarHBondContact O-N 3.33Å; K275-S277 VanDerWaalsContact C-N 3.27Å; K275-S277 PolarHBondContact O-N 2.73Å; K275-L278 PolarHBondContact O-N 3.31Å
276	L	95.1	Very high	94.6	Very high	98 Å²	98	47.9 Å²	47.9	51%	0.513	23%	0.231	S	C	.	.	H	α-helix	trans	-73	-17.1	-179.9	-69.2	171.7	0	0	0	113.4	D272 I273 V274 Y300 P303	D272-L276 WeakPolarHBondContact O-CB 3.42Å; D272-L276 VanDerWaalsContact O-CG 3.26Å; D272-L276 WeakPolarHBondContact O-CG 3.48Å; D272-L276 PolarHBondContact O-N 3.45Å; I273-L276 PolarHBondContact O-N 3.34Å; V274-L276 VanDerWaalsContact C-N 3.29Å; V274-L276 PolarHBondContact O-N 3.11Å; L276-Y300 HydrophobicContact CB-CD2 4Å; L276-Y300 HydrophobicContact CB-CE2 3.93Å; L276-Y300 HydrophobicContact CD1-CE2 3.94Å; L276-P303 HydrophobicContact CD1-CG 4.18Å
277	S	96.3	Very high	94.4	Very high	3 Å²	3	53.1 Å²	53.1	2%	0.021	26%	0.263	C	S	.	.	H	α-helix	trans	-87.3	-10.1	176.2	77.6	0	0	0	0	114.4	I273 V274 K275 D298	I273-S277 WeakPolarHBondContact O-CB 3.34Å; I273-S277 PolarHBondContact O-N 3.14Å; I273-S277 VanDerWaalsContact O-N 3.08Å; V274-S277 WeakPolarHBondContact O-CB 3.06Å; V274-S277 PolarHBondContact O-N 3.35Å; V274-S277 PolarHBondContact O-OG 2.95Å; K275-S277 VanDerWaalsContact C-N 3.27Å; K275-S277 PolarHBondContact O-N 2.73Å; S277-D298 WeakPolarHBondContact O-CB 3.4Å; S277-D298 PolarHBondContact O-N 2.83Å
278	L	95.3	Very high	93.8	Very high	28 Å²	28	58.5 Å²	58.5	15%	0.147	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	135.2	-170.4	-67.6	170	0	0	0	112.3	M121 M129 M203 V274 K275 I295 G296 V297	M121-L278 HydrophobicContact CE-CD1 3.57Å; M121-L278 HydrophobicContact CE-CD2 4.1Å; M129-L278 HydrophobicContact CE-CB 4.29Å; M129-L278 HydrophobicContact CE-CD1 3.63Å; M129-L278 HydrophobicContact CG-CD1 4.14Å; M129-L278 HydrophobicContact SD-CB 3.84Å; M129-L278 HydrophobicContact SD-CD1 3.26Å; M129-L278 WeakPolarHBondContact SD-CD1 3.19Å; M129-L278 HydrophobicContact SD-CG 4.15Å; M203-L278 HydrophobicContact CE-CD2 3.85Å; V274-L278 WeakPolarHBondContact O-CG 3.34Å; V274-L278 PolarHBondContact O-N 3.1Å; K275-L278 PolarHBondContact O-N 3.31Å; L278-I295 HydrophobicContact CB-CG2 3.71Å; L278-I295 HydrophobicContact CD1-CG2 4.26Å; L278-I295 HydrophobicContact CD2-CG2 3.98Å; L278-I295 HydrophobicContact CG-CG2 4.16Å; L278-G296 WeakPolarHBondContact CA-O 3.15Å; L278-V297 HydrophobicContact CD2-CB 4.48Å; L278-V297 HydrophobicContact CD2-CG1 3.67Å
279	N	93.8	Very high	93.2	Very high	64 Å²	64	58.8 Å²	58.8	34%	0.342	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	145.5	-178.2	-164.2	-46.5	0	0	0	111.6	R281 F282 I295 G296 D298	N279-R281 HydrophobicContact CB-CG 4.43Å; N279-R281 WeakPolarHBondContact OD1-CB 3.4Å; N279-R281 WeakPolarHBondContact OD1-CG 3.17Å; N279-R281 PolarHBondContact OD1-N 3.43Å; N279-F282 HydrophobicContact CB-CE2 4.18Å; N279-I295 WeakPolarHBondContact O-CA 3.5Å; N279-G296 PolarHBondContact N-O 3.3Å; N279-G296 PolarHBondContact O-N 2.82Å; N279-D298 HydrophobicContact CB-CB 4Å
280	R	93.1	Very high	92.7	Very high	162 Å²	162	61.9 Å²	61.9	61%	0.611	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.2	4.4	-179.7	-71.9	179.3	-175.8	-164.8	2.5	114.6	F282 H293 I295	R280-F282 PolarHBondContact O-N 2.92Å; R280-H293 PolarHBondContact O-ND1 3.28Å; R280-I295 HydrophobicContact CG-CG1 3.76Å
281	R	93.6	Very high	92.5	Very high	151 Å²	151	69 Å²	69	57%	0.57	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.4	-13.5	-176	69.6	-175.8	-179.9	140.6	-0.1	115.1	N279 D298	N279-R281 HydrophobicContact CB-CG 4.43Å; N279-R281 WeakPolarHBondContact OD1-CB 3.4Å; N279-R281 WeakPolarHBondContact OD1-CG 3.17Å; N279-R281 PolarHBondContact OD1-N 3.43Å; R281-D298 IonicContact CZ-OD1 2.7Å; R281-D298 IonicContact CZ-OD2 2.71Å; R281-D298 IonicContact NE-OD1 2.96Å; R281-D298 IonicContact NE-OD2 3.98Å; R281-D298 PolarHBondContact NE-OD2 3.39Å; R281-D298 IonicContact NH2-OD1 3.58Å; R281-D298 PolarHBondContact NH2-OD1 3.08Å; R281-D298 IonicContact NH2-OD2 3.63Å; R281-D298 PolarHBondContact NH2-OD2 3.18Å
282	F	94.9	Very high	92.4	Very high	37 Å²	37	71.1 Å²	71.1	16%	0.162	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	152.7	-174.3	-54	-76.8	0	0	0	112.1	N258 N279 R280 H293 Y294 D298	N258-F282 WeakPolarHBondContact ND2-CD1 3.23Å; N258-F282 WeakPolarHBondContact ND2-CD2 3.33Å; N258-F282 VanDerWaalsContact ND2-CE1 3.27Å; N258-F282 WeakPolarHBondContact ND2-CE1 3.48Å; N258-F282 WeakPolarHBondContact ND2-CE2 3.22Å; N258-F282 WeakPolarHBondContact ND2-CZ 3.35Å; N279-F282 HydrophobicContact CB-CE2 4.18Å; R280-F282 PolarHBondContact O-N 2.92Å; F282-H293 VanDerWaalsContact O-CA 3.26Å; F282-H293 WeakPolarHBondContact O-CA 3.33Å; F282-H293 PolarHBondContact O-ND1 2.7Å; F282-Y294 HydrophobicContact CB-CD1 3.85Å; F282-Y294 HydrophobicContact CB-CE1 3.32Å; F282-Y294 HydrophobicContact CB-CE2 4.18Å; F282-Y294 VanDerWaalsContact CB-CZ 3.49Å; F282-Y294 HydrophobicContact CG-CE1 4.49Å; F282-Y294 PolarHBondContact O-N 2.66Å; F282-D298 HydrophobicContact CE2-CB 4.09Å; F282-D298 HydrophobicContact CZ-CB 3.96Å
283	V	95	Very high	92.3	Very high	68 Å²	68	73.5 Å²	73.5	41%	0.412	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	124.2	-176.7	-178.7	0	0	0	0	110.1	K291	V283-K291 HydrophobicContact CG1-CB 4.04Å; V283-K291 HydrophobicContact CG1-CG 4.48Å
284	F	94.4	Very high	92.2	Very high	1 Å²	1	73.7 Å²	73.7	0%	0.004	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	118.1	171.8	-173.9	-101.9	0	0	0	108	F124 V199 Y254 S256 P286 K291 R292 Y294 T326	F124-F284 HydrophobicContact CE2-CD1 4.44Å; F124-F284 HydrophobicContact CZ-CB 4.06Å; F124-F284 HydrophobicContact CZ-CD1 4.33Å; F124-F284 HydrophobicContact CZ-CG 4.38Å; V199-F284 HydrophobicContact CG1-CE1 4.37Å; V199-F284 HydrophobicContact CG1-CE2 4.36Å; V199-F284 HydrophobicContact CG1-CZ 4.21Å; V199-F284 HydrophobicContact CG2-CE1 4.26Å; Y254-F284 AromaticContact CD1-CE2 3.99Å; Y254-F284 HydrophobicContact CD1-CE2 3.99Å; Y254-F284 AromaticContact CD1-CZ 3.89Å; Y254-F284 HydrophobicContact CD1-CZ 3.89Å; Y254-F284 HydrophobicContact CE1-CD2 4.01Å; Y254-F284 HydrophobicContact CE1-CE1 4.38Å; Y254-F284 AromaticContact CE1-CE2 3.63Å; Y254-F284 HydrophobicContact CE1-CE2 3.63Å; Y254-F284 AromaticContact CE1-CZ 3.84Å; Y254-F284 HydrophobicContact CE1-CZ 3.84Å; S256-F284 VanDerWaalsContact OG-CD2 3.28Å; S256-F284 WeakPolarHBondContact OG-CD2 3.46Å; F284-P286 HydrophobicContact CD1-CG 4.22Å; F284-P286 HydrophobicContact CE1-CB 4.32Å; F284-P286 HydrophobicContact CE1-CG 3.83Å; F284-K291 WeakPolarHBondContact O-CA 3.34Å; F284-R292 PolarHBondContact N-O 3.03Å; F284-R292 PolarHBondContact O-N 3.15Å; F284-Y294 HydrophobicContact CB-CD1 3.74Å; F284-Y294 HydrophobicContact CB-CE1 4.35Å; F284-Y294 HydrophobicContact CB-CG 4.36Å; F284-T326 HydrophobicContact CD2-CG2 3.99Å; F284-T326 HydrophobicContact CE2-CG2 4.21Å; F284-T326 WeakPolarHBondContact CE2-O 3.49Å
285	S	94	Very high	92.1	Very high	42 Å²	42	74.7 Å²	74.7	29%	0.294	38%	0.381	S	S	.	.			trans	-135.8	69.7	-168.9	-179.8	0	0	0	0	111.7	Y254 K291	Y254-S285 WeakPolarHBondContact CE2-O 3.33Å; Y254-S285 WeakPolarHBondContact OH-CA 3.31Å; Y254-S285 PolarHBondContact OH-N 3.26Å; Y254-S285 PolarHBondContact OH-O 3.05Å; Y254-S285 VanDerWaalsContact OH-O 3.05Å; S285-K291 WeakPolarHBondContact OG-CE 3.39Å; S285-K291 WeakPolarHBondContact OG-CG 3.28Å
286	P	91.1	Very high	92.2	Very high	16 Å²	16	70.5 Å²	70.5	10%	0.104	36%	0.363	C	S	.	.			trans	-63.9	150.2	177.7	28.7	-34.6	0	0	0	111.2	Y254 F284 S288 G289	Y254-P286 HydrophobicContact CD1-CB 3.66Å; Y254-P286 HydrophobicContact CE1-CB 3.97Å; Y254-P286 HydrophobicContact CG-CB 4.19Å; F284-P286 HydrophobicContact CD1-CG 4.22Å; F284-P286 HydrophobicContact CE1-CB 4.32Å; F284-P286 HydrophobicContact CE1-CG 3.83Å; P286-S288 PolarHBondContact O-N 3.12Å; P286-S288 VanDerWaalsContact O-N 3.1Å; P286-G289 PolarHBondContact O-N 3.11Å
287	P	87.6	Confident	92.2	Very high	122 Å²	122	65.9 Å²	65.9	79%	0.792	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-31.8	-173.8	-27.8	34.7	0	0	0	115.3	Y254	Y254-P287 HydrophobicContact CD2-CG 4.4Å
288	S	80.3	Confident	92.1	Very high	127 Å²	127	67 Å²	67	89%	0.888	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.3	17.6	-175.5	64.4	0	0	0	0	113.5	P286	P286-S288 PolarHBondContact O-N 3.12Å; P286-S288 VanDerWaalsContact O-N 3.1Å
289	G	80.5	Confident	91.9	Very high	42 Å²	42	70 Å²	70	43%	0.433	36%	0.364	S	S	.	.	S	Bend	trans	-137	169.4	-175.2	0	0	0	0	0	113.9	P286	P286-G289 PolarHBondContact O-N 3.11Å
290	E	84.6	Confident	91.7	Very high	149 Å²	149	69.4 Å²	69.4	70%	0.696	36%	0.357	S	S	*	.			trans	-67.7	139.7	-177.6	-166.1	-175	178.2	0	0	112.1	R292	E290-R292 HydrophobicContact CB-CG 4.43Å; E290-R292 HydrophobicContact CG-CG 4.37Å; E290-R292 PolarHBondContact O-N 2.93Å
291	K	92.5	Very high	91.2	Very high	150 Å²	150	69.8 Å²	69.8	65%	0.652	36%	0.363	S	S	*	.			trans	-70.3	121.3	171.1	-68.1	-175	179.6	176.7	0	109.7	V283 F284 S285	V283-K291 HydrophobicContact CG1-CB 4.04Å; V283-K291 HydrophobicContact CG1-CG 4.48Å; F284-K291 WeakPolarHBondContact O-CA 3.34Å; S285-K291 WeakPolarHBondContact OG-CE 3.39Å; S285-K291 WeakPolarHBondContact OG-CG 3.28Å
292	R	93.6	Very high	90.4	Very high	65 Å²	65	66.6 Å²	66.6	25%	0.245	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	142.2	-178.6	-65.1	179.5	-70.9	178.9	-2.1	111.4	F124 F284 E290	F124-R292 HydrophobicContact CD1-CB 4.09Å; F124-R292 HydrophobicContact CE1-CB 3.39Å; F124-R292 HydrophobicContact CE1-CG 4.5Å; F124-R292 HydrophobicContact CZ-CB 3.75Å; F284-R292 PolarHBondContact N-O 3.03Å; F284-R292 PolarHBondContact O-N 3.15Å; E290-R292 HydrophobicContact CB-CG 4.43Å; E290-R292 HydrophobicContact CG-CG 4.37Å; E290-R292 PolarHBondContact O-N 2.93Å
293	H	94.3	Very high	89.4	Confident	127 Å²	127	68.2 Å²	68.2	59%	0.588	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.1	126.2	175.2	-78.4	-78.3	0	0	0	111.2	F124 R280 F282	F124-H293 WeakPolarHBondContact CE1-O 3.49Å; R280-H293 PolarHBondContact O-ND1 3.28Å; F282-H293 VanDerWaalsContact O-CA 3.26Å; F282-H293 WeakPolarHBondContact O-CA 3.33Å; F282-H293 PolarHBondContact O-ND1 2.7Å
294	Y	94.5	Very high	87.6	Confident	8 Å²	8	73.7 Å²	73.7	3%	0.031	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	160.8	178.8	78	-81.1	0	0	0	111.7	N258 F282 F284 T326	N258-Y294 VanDerWaalsContact OD1-CE2 3.28Å; N258-Y294 WeakPolarHBondContact OD1-CE2 3.48Å; N258-Y294 VanDerWaalsContact OD1-CZ 3.31Å; N258-Y294 PolarHBondContact OD1-OH 2.69Å; F282-Y294 HydrophobicContact CB-CD1 3.85Å; F282-Y294 HydrophobicContact CB-CE1 3.32Å; F282-Y294 HydrophobicContact CB-CE2 4.18Å; F282-Y294 VanDerWaalsContact CB-CZ 3.49Å; F282-Y294 HydrophobicContact CG-CE1 4.49Å; F282-Y294 PolarHBondContact O-N 2.66Å; F284-Y294 HydrophobicContact CB-CD1 3.74Å; F284-Y294 HydrophobicContact CB-CE1 4.35Å; F284-Y294 HydrophobicContact CB-CG 4.36Å; Y294-T326 HydrophobicContact CD2-CG2 4.03Å; Y294-T326 HydrophobicContact CE2-CG2 4.45Å; Y294-T326 WeakPolarHBondContact CE2-OG1 3.42Å; Y294-T326 HydrophobicContact CG-CG2 4.4Å
295	I	95.4	Very high	85.8	Confident	21 Å²	21	82 Å²	82	11%	0.108	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	115.9	177.7	-58.2	170.8	0	0	0	109.1	M121 Q123 M129 L278 N279 R280 Q324	M121-I295 HydrophobicContact SD-CB 4.08Å; M121-I295 HydrophobicContact SD-CG2 4.1Å; Q123-I295 PolarHBondContact NE2-O 2.72Å; M129-I295 HydrophobicContact CB-CD1 4.49Å; M129-I295 HydrophobicContact CG-CD1 4.19Å; M129-I295 HydrophobicContact SD-CD1 4.22Å; M129-I295 HydrophobicContact SD-CG2 3.9Å; L278-I295 HydrophobicContact CB-CG2 3.71Å; L278-I295 HydrophobicContact CD1-CG2 4.26Å; L278-I295 HydrophobicContact CD2-CG2 3.98Å; L278-I295 HydrophobicContact CG-CG2 4.16Å; N279-I295 WeakPolarHBondContact O-CA 3.5Å; R280-I295 HydrophobicContact CG-CG1 3.76Å; I295-Q324 PolarHBondContact O-NE2 3.07Å
296	G	95.8	Very high	83.4	Confident	0 Å²	0	88.7 Å²	88.7	0%	0	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	148.1	177.9	0	0	0	0	0	112.6	L278 N279 Q324	L278-G296 WeakPolarHBondContact CA-O 3.15Å; N279-G296 PolarHBondContact N-O 3.3Å; N279-G296 PolarHBondContact O-N 2.82Å; G296-Q324 VanDerWaalsContact CA-OE1 3.27Å
297	V	96.2	Very high	81.2	Confident	1 Å²	1	95.1 Å²	95.1	1%	0.006	50%	0.496	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	142	165.4	-63	0	0	0	0	109.2	M203 N258 L260 V274 L278 Q324	M203-V297 HydrophobicContact CE-CG1 4.26Å; M203-V297 HydrophobicContact SD-CG1 4.14Å; N258-V297 HydrophobicContact CB-CG2 3.63Å; N258-V297 WeakPolarHBondContact CB-O 3.36Å; N258-V297 PolarHBondContact ND2-O 2.82Å; L260-V297 HydrophobicContact CB-CB 4.25Å; L260-V297 HydrophobicContact CB-CG2 4.31Å; V274-V297 HydrophobicContact CG1-CG1 4.22Å; L278-V297 HydrophobicContact CD2-CB 4.48Å; L278-V297 HydrophobicContact CD2-CG1 3.67Å; V297-Q324 HydrophobicContact CG2-CB 3.92Å
298	D	94.3	Very high	79.3	Confident	27 Å²	27	96.5 Å²	96.5	14%	0.144	49%	0.491	C	S	.	.			trans	-139.3	-115.6	-174	-167.5	8.5	0	0	0	110.4	L260 S277 N279 R281 F282	L260-D298 WeakPolarHBondContact CD1-O 3.2Å; S277-D298 WeakPolarHBondContact O-CB 3.4Å; S277-D298 PolarHBondContact O-N 2.83Å; N279-D298 HydrophobicContact CB-CB 4Å; R281-D298 IonicContact CZ-OD1 2.7Å; R281-D298 IonicContact CZ-OD2 2.71Å; R281-D298 IonicContact NE-OD1 2.96Å; R281-D298 IonicContact NE-OD2 3.98Å; R281-D298 PolarHBondContact NE-OD2 3.39Å; R281-D298 IonicContact NH2-OD1 3.58Å; R281-D298 PolarHBondContact NH2-OD1 3.08Å; R281-D298 IonicContact NH2-OD2 3.63Å; R281-D298 PolarHBondContact NH2-OD2 3.18Å; F282-D298 HydrophobicContact CE2-CB 4.09Å; F282-D298 HydrophobicContact CZ-CB 3.96Å
299	T	90.2	Very high	77.6	Confident	91 Å²	91	100.3 Å²	100.3	56%	0.558	50%	0.495	S	S	*	.			trans	-108	134.7	178.2	51	0	0	0	0	109.9
300	Y	90.1	Very high	75.9	Confident	51 Å²	51	106 Å²	106	20%	0.2	51%	0.508	C	S	.	.			trans	-91.5	123.7	170.7	174.5	-117.6	0	0	0	109.6	T262 I273 L276 P302	T262-Y300 HydrophobicContact CG2-CD1 4.41Å; I273-Y300 HydrophobicContact CB-CE2 4.46Å; I273-Y300 HydrophobicContact CG1-CE1 4.17Å; I273-Y300 HydrophobicContact CG1-CE2 4.27Å; I273-Y300 HydrophobicContact CG2-CD1 4.03Å; I273-Y300 HydrophobicContact CG2-CD2 4.06Å; I273-Y300 HydrophobicContact CG2-CE1 4.33Å; I273-Y300 HydrophobicContact CG2-CE2 4.38Å; I273-Y300 HydrophobicContact CG2-CG 3.88Å; L276-Y300 HydrophobicContact CB-CD2 4Å; L276-Y300 HydrophobicContact CB-CE2 3.93Å; L276-Y300 HydrophobicContact CD1-CE2 3.94Å; Y300-P302 HydrophobicContact CE1-CB 4.46Å; Y300-P302 HydrophobicContact CE1-CG 3.87Å
301	K	83.1	Confident	74.2	Confident	169 Å²	169	103.6 Å²	103.6	74%	0.735	51%	0.514	S	S	*	.			trans	-117	116.6	168.9	-67.7	-175.5	-178.5	-178.5	0	107.8
302	P	76.3	Confident	72.2	Confident	84 Å²	84	100.9 Å²	100.9	55%	0.545	52%	0.519	S	S	.	.			trans	-55	137.4	176.1	-21.9	30.7	0	0	0	110.1	Y300 H304	Y300-P302 HydrophobicContact CE1-CB 4.46Å; Y300-P302 HydrophobicContact CE1-CG 3.87Å; P302-H304 PolarHBondContact O-N 2.9Å
303	P	73.4	Confident	70.4	Confident	72 Å²	72	101.8 Å²	101.8	47%	0.468	53%	0.529	S	S	.	.			trans	-55.7	128.1	175.5	-22	31.3	0	0	0	110.5	L276 H305	L276-P303 HydrophobicContact CD1-CG 4.18Å; P303-H305 PolarHBondContact O-N 2.85Å
304	H	58.2	Low	68.6	Low	183 Å²	183	101.9 Å²	101.9	85%	0.847	54%	0.541	S	S	*	.			trans	-64.3	109.2	172.1	-76.7	-65.1	0	0	0	109.2	P302 Q306	P302-H304 PolarHBondContact O-N 2.9Å; H304-Q306 VanDerWaalsContact C-N 3.33Å; H304-Q306 PolarHBondContact O-N 3.32Å
305	H	55.1	Low	67.4	Low	176 Å²	176	105.7 Å²	105.7	82%	0.815	56%	0.555	S	S	*	*			trans	-72.2	86.8	172.7	-72.2	-72.3	0	0	0	109.9	P303 N307	P303-H305 PolarHBondContact O-N 2.85Å; H305-N307 PolarHBondContact O-N 2.92Å; H305-N307 VanDerWaalsContact O-N 3.14Å
306	Q	43.8	Very low	66.6	Low	181 Å²	181	111.7 Å²	111.7	85%	0.846	58%	0.58	S	S	*	*			trans	-71.8	4.2	-178.9	-97.4	-174.5	-2	0	0	115.4	H304	H304-Q306 VanDerWaalsContact C-N 3.33Å; H304-Q306 PolarHBondContact O-N 3.32Å
307	N	46.3	Very low	66.2	Low	152 Å²	152	117 Å²	117	81%	0.813	61%	0.605	S	S	*	*	S	Bend	trans	-158.9	103.2	172.7	-90.8	-34.5	0	0	0	110.2	H305	H305-N307 PolarHBondContact O-N 2.92Å; H305-N307 VanDerWaalsContact O-N 3.14Å
308	Q	46.7	Very low	66	Low	150 Å²	150	117.6 Å²	117.6	70%	0.701	61%	0.609	S	S	*	*			trans	169	136	135.3	-95.6	171.6	15.7	0	0	112.2	K310	Q308-K310 HydrophobicContact CB-CG 4.37Å; Q308-K310 PolarHBondContact O-N 2.77Å; Q308-K310 VanDerWaalsContact OE1-CE 3.29Å
309	Q	43.9	Very low	66.1	Low	208 Å²	208	118.3 Å²	118.3	97%	0.972	61%	0.613	S	S	*	*			trans	-59.6	51.9	157.3	-64	161.9	-34.2	0	0	112.3
310	K	46.6	Very low	66.4	Low	162 Å²	162	114 Å²	114	70%	0.704	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-90.8	129.9	166.9	-86.1	-176.6	176.4	176.6	0	108.4	Q308 A312	Q308-K310 HydrophobicContact CB-CG 4.37Å; Q308-K310 PolarHBondContact O-N 2.77Å; Q308-K310 VanDerWaalsContact OE1-CE 3.29Å; K310-A312 PolarHBondContact O-N 3.15Å
311	A	47	Very low	66.8	Low	98 Å²	98	111.6 Å²	111.6	81%	0.81	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-49.4	135.3	171	0	0	0	0	0	109.2	D313	A311-D313 PolarHBondContact O-N 2.96Å
312	A	51.9	Low	67.5	Low	92 Å²	92	103.5 Å²	103.5	76%	0.76	54%	0.542	S	S	*	.	P	Polyproline II helix	trans	-49.5	132.5	172.8	0	0	0	0	0	109	K310 P314	K310-A312 PolarHBondContact O-N 3.15Å; A312-P314 VanDerWaalsContact O-CD 3.26Å; A312-P314 WeakPolarHBondContact O-CD 3.43Å; A312-P314 VanDerWaalsContact O-N 3.12Å
313	D	54.8	Low	68.6	Low	84 Å²	84	99.6 Å²	99.6	45%	0.449	52%	0.517	S	S	.	.			trans	-59.4	115.2	175.3	-173.2	-14	0	0	0	108.1	A311 R315	A311-D313 PolarHBondContact O-N 2.96Å; D313-R315 PolarHBondContact O-N 2.88Å; D313-R315 VanDerWaalsContact O-N 3.11Å; D313-R315 WeakPolarHBondContact OD1-CB 3.46Å; D313-R315 WeakPolarHBondContact OD1-CG 3.48Å; D313-R315 PolarHBondContact OD1-N 3.03Å; D313-R315 IonicContact OD1-NE 2.77Å; D313-R315 PolarHBondContact OD1-NE 2.95Å; D313-R315 VanDerWaalsContact OD1-NE 3.08Å; D313-R315 IonicContact OD2-CZ 3.8Å; D313-R315 IonicContact OD2-NE 3.7Å; D313-R315 PolarHBondContact OD2-NE 2.79Å; D313-R315 IonicContact OD2-NH2 3.12Å; D313-R315 PolarHBondContact OD2-NH2 2.89Å
314	P	57.9	Low	69.8	Low	130 Å²	130	96.2 Å²	96.2	84%	0.844	49%	0.494	S	S	*	.			trans	-73.7	1.3	-173.8	30.8	-35.2	0	0	0	112.9	A312	A312-P314 VanDerWaalsContact O-CD 3.26Å; A312-P314 WeakPolarHBondContact O-CD 3.43Å; A312-P314 VanDerWaalsContact O-N 3.12Å
315	R	69.1	Low	71.7	Confident	87 Å²	87	87.6 Å²	87.6	33%	0.328	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-66.9	138.6	-178.3	-72.3	-176.3	-65.9	164	13.8	111.8	E268 D313 E317 D482	E268-R315 IonicContact OE1-CZ 2.83Å; E268-R315 IonicContact OE1-NH1 2.68Å; E268-R315 PolarHBondContact OE1-NH1 3.32Å; E268-R315 IonicContact OE1-NH2 3.19Å; D313-R315 PolarHBondContact O-N 2.88Å; D313-R315 VanDerWaalsContact O-N 3.11Å; D313-R315 WeakPolarHBondContact OD1-CB 3.46Å; D313-R315 WeakPolarHBondContact OD1-CG 3.48Å; D313-R315 PolarHBondContact OD1-N 3.03Å; D313-R315 IonicContact OD1-NE 2.77Å; D313-R315 PolarHBondContact OD1-NE 2.95Å; D313-R315 VanDerWaalsContact OD1-NE 3.08Å; D313-R315 IonicContact OD2-CZ 3.8Å; D313-R315 IonicContact OD2-NE 3.7Å; D313-R315 PolarHBondContact OD2-NE 2.79Å; D313-R315 IonicContact OD2-NH2 3.12Å; D313-R315 PolarHBondContact OD2-NH2 2.89Å; R315-E317 PolarHBondContact O-N 2.82Å; R315-D482 IonicContact NH1-OD2 2.87Å; R315-D482 PolarHBondContact NH1-OD2 3.49Å
316	K	78.3	Confident	73.7	Confident	148 Å²	148	79.2 Å²	79.2	64%	0.643	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-73.8	116.5	176.1	-177.5	-177.4	172.3	-162.8	0	109.6	T210	T210-K316 PolarHBondContact O-NZ 2.77Å
317	E	87.3	Confident	76.2	Confident	111 Å²	111	70.6 Å²	70.6	52%	0.519	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-63.9	144	172	-54.5	-173	142.4	0	0	110.9	L263 S264 R315	L263-E317 HydrophobicContact CB-CB 3.88Å; L263-E317 HydrophobicContact CD1-CB 4.25Å; L263-E317 WeakPolarHBondContact CD1-OE2 3.32Å; S264-E317 WeakPolarHBondContact O-CA 3.19Å; R315-E317 PolarHBondContact O-N 2.82Å
318	S	92.1	Very high	78.5	Confident	13 Å²	13	66.1 Å²	66.1	9%	0.091	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	149.6	-174.6	-60.3	0	0	0	0	111.5	A208 T210 L263 S264 F320	A208-S318 WeakPolarHBondContact O-CB 3.41Å; T210-S318 PolarHBondContact N-OG 2.87Å; L263-S318 CarbonylContact C-O 3.56Å; L263-S318 WeakPolarHBondContact CA-O 3.45Å; S264-S318 PolarHBondContact N-O 3.49Å; S264-S318 PolarHBondContact O-N 2.62Å; S318-F320 PolarHBondContact O-N 3.2Å
319	D	95.6	Very high	80.8	Confident	43 Å²	43	59.1 Å²	59.1	23%	0.23	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	131.7	-177.9	-71.6	-14.3	0	0	0	112.1	A207 A208 S213 L214 L263	A207-D319 CarbonylContact C-O 3.49Å; A207-D319 WeakPolarHBondContact CA-O 3.46Å; A208-D319 HydrophobicContact CB-CB 4.38Å; A208-D319 PolarHBondContact N-O 3.29Å; S213-D319 WeakPolarHBondContact CA-OD2 3.35Å; L214-D319 HydrophobicContact CB-CB 3.97Å; L214-D319 HydrophobicContact CD1-CB 3.99Å; L214-D319 HydrophobicContact CG-CB 3.95Å; L214-D319 PolarHBondContact N-OD2 3.49Å; L263-D319 WeakPolarHBondContact CD2-OD1 3.15Å
320	F	97.3	Very high	83.3	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	121.4	175.4	177.6	-139.5	0	0	0	110.6	Y205 A207 T262 L270 I273 V274 S318 V322	Y205-F320 AromaticContact CD2-CE2 3.87Å; Y205-F320 HydrophobicContact CD2-CE2 3.87Å; Y205-F320 AromaticContact CG-CE2 3.87Å; Y205-F320 HydrophobicContact CG-CE2 3.87Å; A207-F320 HydrophobicContact CB-CD2 3.8Å; A207-F320 HydrophobicContact CB-CE2 4.49Å; T262-F320 HydrophobicContact CG2-CB 4.34Å; T262-F320 HydrophobicContact CG2-CD1 3.84Å; T262-F320 PolarHBondContact N-O 2.89Å; T262-F320 PolarHBondContact O-N 3.18Å; T262-F320 VanDerWaalsContact O-O 3.07Å; L270-F320 HydrophobicContact CB-CE1 4.42Å; L270-F320 HydrophobicContact CB-CE2 4.38Å; L270-F320 HydrophobicContact CB-CZ 3.99Å; L270-F320 HydrophobicContact CD1-CE2 4.31Å; L270-F320 HydrophobicContact CD2-CD1 3.91Å; L270-F320 HydrophobicContact CD2-CD2 3.75Å; L270-F320 HydrophobicContact CD2-CE1 3.95Å; L270-F320 HydrophobicContact CD2-CE2 3.76Å; L270-F320 HydrophobicContact CD2-CG 3.81Å; L270-F320 HydrophobicContact CD2-CZ 3.88Å; L270-F320 HydrophobicContact CG-CE2 4.35Å; L270-F320 HydrophobicContact CG-CZ 4.38Å; I273-F320 HydrophobicContact CB-CE1 4.2Å; I273-F320 HydrophobicContact CD1-CD1 4.48Å; I273-F320 HydrophobicContact CG2-CD1 3.95Å; I273-F320 HydrophobicContact CG2-CE1 3.82Å; V274-F320 HydrophobicContact CG2-CE1 3.96Å; V274-F320 HydrophobicContact CG2-CZ 3.79Å; S318-F320 PolarHBondContact O-N 3.2Å; F320-V322 HydrophobicContact CD2-CG2 4.35Å; F320-V322 HydrophobicContact CE1-CG2 3.81Å; F320-V322 HydrophobicContact CE2-CG2 3.65Å; F320-V322 HydrophobicContact CZ-CG2 3.33Å
321	V	98.1	Very high	85.6	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	133.2	-177.9	-177.8	0	0	0	0	110	Y205 A206 L214 T216 L224 I227 L260 Q261	Y205-V321 CarbonylContact C-O 3.55Å; Y205-V321 WeakPolarHBondContact CA-O 3.44Å; Y205-V321 VanDerWaalsContact CB-O 3.26Å; Y205-V321 WeakPolarHBondContact CB-O 3.36Å; A206-V321 PolarHBondContact N-O 3.2Å; A206-V321 PolarHBondContact O-N 3.31Å; L214-V321 HydrophobicContact CB-CG2 4.09Å; L214-V321 HydrophobicContact CD1-CG2 4.21Å; T216-V321 HydrophobicContact CG2-CG1 3.69Å; T216-V321 HydrophobicContact CG2-CG2 3.99Å; L224-V321 HydrophobicContact CD2-CG1 3.46Å; L224-V321 VanDerWaalsContact CD2-CG1 3.46Å; I227-V321 HydrophobicContact CD1-CB 3.91Å; I227-V321 HydrophobicContact CD1-CG1 3.62Å; I227-V321 HydrophobicContact CG1-CG1 4.08Å; L260-V321 CarbonylContact O-C 2.94Å; L260-V321 WeakPolarHBondContact O-CA 3.34Å; Q261-V321 HydrophobicContact CG-CG2 4.19Å
322	V	98.5	Very high	88	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	127.5	177	-171.1	0	0	0	0	109.7	M203 F204 Y259 L260 V274 F320	M203-V322 HydrophobicContact CB-CG1 3.85Å; M203-V322 HydrophobicContact CG-CG1 4.45Å; F204-V322 CarbonylContact O-C 3.59Å; F204-V322 WeakPolarHBondContact O-CA 3.44Å; Y259-V322 CarbonylContact C-O 3.58Å; Y259-V322 WeakPolarHBondContact CA-O 3.28Å; Y259-V322 WeakPolarHBondContact CB-O 3.28Å; L260-V322 HydrophobicContact CB-CB 4.18Å; L260-V322 HydrophobicContact CB-CG2 4.45Å; L260-V322 HydrophobicContact CD2-CG2 4.4Å; L260-V322 PolarHBondContact N-O 3.39Å; L260-V322 PolarHBondContact O-N 2.76Å; V274-V322 HydrophobicContact CG2-CG2 3.95Å; F320-V322 HydrophobicContact CD2-CG2 4.35Å; F320-V322 HydrophobicContact CE1-CG2 3.81Å; F320-V322 HydrophobicContact CE2-CG2 3.65Å; F320-V322 HydrophobicContact CZ-CG2 3.33Å
323	H	98.4	Very high	90.1	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.009	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	119	167.7	179.5	47.5	0	0	0	109.7	M203 F204 L224 F241 Y257	M203-H323 CarbonylContact C-O 3.58Å; M203-H323 VanDerWaalsContact CA-O 3.27Å; M203-H323 WeakPolarHBondContact CA-O 3.4Å; F204-H323 PolarHBondContact N-O 2.68Å; F204-H323 PolarHBondContact O-N 2.95Å; L224-H323 HydrophobicContact CB-CB 4.37Å; L224-H323 HydrophobicContact CD2-CB 4.06Å; L224-H323 HydrophobicContact CG-CB 4.48Å; L224-H323 PolarHBondContact O-CE1 2.82Å; F241-H323 HydrophobicContact CD1-CB 4.29Å; F241-H323 AromaticContact CD1-CD2 3.84Å; F241-H323 HydrophobicContact CD2-CB 4.04Å; F241-H323 AromaticContact CD2-CD2 3.99Å; F241-H323 HydrophobicContact CE1-CB 4.19Å; F241-H323 HydrophobicContact CE2-CB 3.91Å; F241-H323 HydrophobicContact CG-CB 4.23Å; F241-H323 AromaticContact CG-CD2 3.52Å; F241-H323 HydrophobicContact CZ-CB 3.99Å; Y257-H323 AromaticContact CD1-CE1 3.59Å; Y257-H323 AromaticContact CD1-NE2 3.92Å
324	Q	98.4	Very high	92.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	133.5	172.2	179.1	-179.3	-9.1	0	0	111.1	S201 L202 M203 Y257 N258 I295 G296 V297 T326	S201-Q324 PolarHBondContact OG-NE2 3.29Å; S201-Q324 VanDerWaalsContact OG-NE2 3.08Å; L202-Q324 CarbonylContact O-C 3.56Å; L202-Q324 VanDerWaalsContact O-CA 3.31Å; L202-Q324 WeakPolarHBondContact O-CA 3.45Å; M203-Q324 HydrophobicContact CE-CG 4.33Å; M203-Q324 HydrophobicContact CG-CB 4.09Å; M203-Q324 HydrophobicContact CG-CG 4.06Å; Y257-Q324 WeakPolarHBondContact CA-O 3.38Å; N258-Q324 HydrophobicContact CB-CB 4.1Å; N258-Q324 PolarHBondContact N-O 3.37Å; N258-Q324 PolarHBondContact O-N 2.93Å; I295-Q324 PolarHBondContact O-NE2 3.07Å; G296-Q324 VanDerWaalsContact CA-OE1 3.27Å; V297-Q324 HydrophobicContact CG2-CB 3.92Å; Q324-T326 PolarHBondContact NE2-OG1 2.96Å
325	V	97.9	Very high	94.1	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.012	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	121	170.5	56.3	0	0	0	0	109.6	S201 L202 F204 P244 A255 Y257 V327 I333	S201-V325 WeakPolarHBondContact CA-O 3.36Å; L202-V325 HydrophobicContact CB-CG1 3.94Å; L202-V325 PolarHBondContact N-O 2.86Å; L202-V325 PolarHBondContact O-N 2.73Å; F204-V325 HydrophobicContact CD2-CG1 4.44Å; F204-V325 HydrophobicContact CE2-CG1 3.93Å; P244-V325 HydrophobicContact CG-CG2 4.26Å; A255-V325 HydrophobicContact CB-CG2 3.87Å; Y257-V325 HydrophobicContact CD1-CB 4.07Å; Y257-V325 HydrophobicContact CD1-CG2 4.03Å; Y257-V325 HydrophobicContact CE1-CB 4.07Å; Y257-V325 HydrophobicContact CE1-CG2 3.61Å; V325-V327 HydrophobicContact CG2-CG1 4.44Å; V325-I333 HydrophobicContact CG1-CD1 3.61Å; V325-I333 HydrophobicContact CG2-CD1 4.12Å
326	T	97.6	Very high	95.5	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	119.7	179.8	-55.7	0	0	0	0	109.3	Q123 V199 I200 S201 A255 S256 F284 Y294 Q324	Q123-T326 HydrophobicContact CG-CG2 4.05Å; V199-T326 HydrophobicContact CG1-CG2 3.66Å; I200-T326 WeakPolarHBondContact O-CA 3.46Å; S201-T326 WeakPolarHBondContact OG-CG2 3.47Å; S201-T326 PolarHBondContact OG-OG1 3.13Å; A255-T326 VanDerWaalsContact CA-O 3.27Å; A255-T326 WeakPolarHBondContact CA-O 3.2Å; A255-T326 WeakPolarHBondContact CB-O 3.26Å; S256-T326 PolarHBondContact N-O 3.34Å; S256-T326 PolarHBondContact O-N 3.41Å; F284-T326 HydrophobicContact CD2-CG2 3.99Å; F284-T326 HydrophobicContact CE2-CG2 4.21Å; F284-T326 WeakPolarHBondContact CE2-O 3.49Å; Y294-T326 HydrophobicContact CD2-CG2 4.03Å; Y294-T326 HydrophobicContact CE2-CG2 4.45Å; Y294-T326 WeakPolarHBondContact CE2-OG1 3.42Å; Y294-T326 HydrophobicContact CG-CG2 4.4Å; Q324-T326 PolarHBondContact NE2-OG1 2.96Å
327	V	96.5	Very high	96.5	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	144.6	-168.7	53.1	0	0	0	0	111	I200 P244 K253 A255 V325 F331 I333	I200-V327 PolarHBondContact N-O 3.21Å; I200-V327 PolarHBondContact O-N 3.46Å; P244-V327 HydrophobicContact CB-CG2 4.11Å; P244-V327 HydrophobicContact CG-CB 4.44Å; P244-V327 HydrophobicContact CG-CG2 4.14Å; K253-V327 HydrophobicContact CD-CG2 3.83Å; K253-V327 HydrophobicContact CG-CG2 4.2Å; A255-V327 HydrophobicContact CB-CB 4.1Å; V325-V327 HydrophobicContact CG2-CG1 4.44Å; V327-F331 HydrophobicContact CB-CD1 4.22Å; V327-F331 HydrophobicContact CB-CE1 4.45Å; V327-F331 HydrophobicContact CG1-CD1 3.48Å; V327-F331 VanDerWaalsContact CG1-CD1 3.48Å; V327-F331 HydrophobicContact CG1-CD2 4.01Å; V327-F331 HydrophobicContact CG1-CE1 3.38Å; V327-F331 HydrophobicContact CG1-CE2 3.95Å; V327-F331 HydrophobicContact CG1-CG 3.8Å; V327-F331 HydrophobicContact CG1-CZ 3.63Å; V327-F331 HydrophobicContact CG2-CB 4.05Å; V327-F331 HydrophobicContact CG2-CD1 3.82Å; V327-F331 HydrophobicContact CG2-CG 3.99Å; V327-I333 HydrophobicContact CG1-CD1 4.29Å
328	Q	95.3	Very high	97	Very high	59 Å²	59	12.8 Å²	12.8	28%	0.276	7%	0.069	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	142.2	174.9	-167.7	173.4	29.2	0	0	110.5	P197 V199 K253	P197-Q328 HydrophobicContact CB-CG 3.83Å; P197-Q328 PolarHBondContact O-NE2 3.33Å; V199-Q328 HydrophobicContact CG2-CB 4.02Å; V199-Q328 HydrophobicContact CG2-CG 4.02Å; K253-Q328 WeakPolarHBondContact CE-O 3.29Å; K253-Q328 PolarHBondContact NZ-O 2.89Å
329	T	94.7	Very high	97.3	Very high	3 Å²	3	12.2 Å²	12.2	2%	0.018	7%	0.065	C	C	.	.	S	Bend	trans	-69.2	159.2	172.8	53.6	0	0	0	0	112.7	A188 P198 I200 K253 F331	A188-T329 HydrophobicContact CB-CG2 3.91Å; P198-T329 WeakPolarHBondContact CD-OG1 3.45Å; P198-T329 HydrophobicContact CG-CG2 4.04Å; P198-T329 WeakPolarHBondContact CG-OG1 3.34Å; P198-T329 PolarHBondContact O-N 3.26Å; P198-T329 PolarHBondContact O-OG1 3.49Å; P198-T329 VanDerWaalsContact O-OG1 3.08Å; I200-T329 HydrophobicContact CD1-CG2 3.43Å; I200-T329 VanDerWaalsContact CD1-CG2 3.43Å; I200-T329 HydrophobicContact CG1-CG2 4.17Å; K253-T329 PolarHBondContact NZ-O 3.22Å; T329-F331 HydrophobicContact CG2-CD1 4.33Å; T329-F331 HydrophobicContact CG2-CE1 4.11Å
330	P	95.1	Very high	97.4	Very high	66 Å²	66	12.4 Å²	12.4	43%	0.429	8%	0.077	S	C	.	.	S	Bend	cis	-76.6	151	-13.7	33.7	-35	0	0	0	111.9	A188 T246 K253	A188-P330 VanDerWaalsContact O-CA 3.23Å; A188-P330 WeakPolarHBondContact O-CA 3.45Å; T246-P330 WeakPolarHBondContact CG2-O 3.49Å; K253-P330 PolarHBondContact NZ-O 2.86Å
331	F	96	Very high	97.4	Very high	4 Å²	4	13.2 Å²	13.2	2%	0.018	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	164	174.8	65	-97.9	0	0	0	111.9	T187 A188 I200 L202 P244 V245 K253 V327 T329 I333	T187-F331 WeakPolarHBondContact CA-O 3.17Å; A188-F331 HydrophobicContact CB-CD1 3.87Å; A188-F331 HydrophobicContact CB-CD2 4.23Å; A188-F331 HydrophobicContact CB-CE1 3.37Å; A188-F331 HydrophobicContact CB-CE2 3.75Å; A188-F331 HydrophobicContact CB-CG 4.28Å; A188-F331 HydrophobicContact CB-CZ 3.31Å; A188-F331 PolarHBondContact N-O 3.48Å; A188-F331 PolarHBondContact O-N 2.9Å; A188-F331 VanDerWaalsContact O-N 3.15Å; I200-F331 HydrophobicContact CB-CE1 4.27Å; I200-F331 HydrophobicContact CB-CZ 4.45Å; I200-F331 HydrophobicContact CD1-CE1 4.22Å; L202-F331 HydrophobicContact CD1-CE2 3.57Å; L202-F331 HydrophobicContact CD1-CZ 3.8Å; L202-F331 HydrophobicContact CG-CE2 4.4Å; L202-F331 HydrophobicContact CG-CZ 4.16Å; P244-F331 HydrophobicContact CB-CB 4.37Å; V245-F331 CarbonylContact O-C 3.54Å; V245-F331 WeakPolarHBondContact O-CA 3.42Å; K253-F331 HydrophobicContact CD-CB 4.19Å; V327-F331 HydrophobicContact CB-CD1 4.22Å; V327-F331 HydrophobicContact CB-CE1 4.45Å; V327-F331 HydrophobicContact CG1-CD1 3.48Å; V327-F331 VanDerWaalsContact CG1-CD1 3.48Å; V327-F331 HydrophobicContact CG1-CD2 4.01Å; V327-F331 HydrophobicContact CG1-CE1 3.38Å; V327-F331 HydrophobicContact CG1-CE2 3.95Å; V327-F331 HydrophobicContact CG1-CG 3.8Å; V327-F331 HydrophobicContact CG1-CZ 3.63Å; V327-F331 HydrophobicContact CG2-CB 4.05Å; V327-F331 HydrophobicContact CG2-CD1 3.82Å; V327-F331 HydrophobicContact CG2-CG 3.99Å; T329-F331 HydrophobicContact CG2-CD1 4.33Å; T329-F331 HydrophobicContact CG2-CE1 4.11Å; F331-I333 HydrophobicContact CD2-CD1 3.79Å; F331-I333 HydrophobicContact CD2-CG1 4Å; F331-I333 HydrophobicContact CE2-CD1 3.7Å; F331-I333 HydrophobicContact CE2-CG1 4.3Å
332	Q	96.6	Very high	97.3	Very high	40 Å²	40	14 Å²	14	19%	0.187	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	137.8	167.5	-175.6	-179.2	-70.4	0	0	110	R185 I186 P244 V245	R185-Q332 VanDerWaalsContact CD-CD 3.46Å; R185-Q332 HydrophobicContact CG-CG 3.66Å; I186-Q332 CarbonylContact O-C 3.57Å; I186-Q332 WeakPolarHBondContact O-CA 3.41Å; P244-Q332 WeakPolarHBondContact CA-O 3.22Å; V245-Q332 HydrophobicContact CG2-CB 4.09Å; V245-Q332 PolarHBondContact N-O 3.15Å; V245-Q332 PolarHBondContact O-N 3.38Å
333	I	97.1	Very high	97.1	Very high	4 Å²	4	23.3 Å²	23.3	2%	0.021	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	141.4	174.7	-67.8	160.7	0	0	0	109.2	R185 I186 L202 F204 P244 V325 V327 F331 V335	R185-I333 WeakPolarHBondContact CA-O 3.34Å; I186-I333 PolarHBondContact N-O 3.2Å; I186-I333 PolarHBondContact O-N 3.42Å; L202-I333 HydrophobicContact CD1-CD1 3.99Å; F204-I333 HydrophobicContact CE2-CG2 3.98Å; F204-I333 HydrophobicContact CZ-CG2 4.12Å; P244-I333 HydrophobicContact CB-CD1 3.97Å; P244-I333 HydrophobicContact CB-CG1 3.59Å; P244-I333 HydrophobicContact CG-CG1 4.48Å; V325-I333 HydrophobicContact CG1-CD1 3.61Å; V325-I333 HydrophobicContact CG2-CD1 4.12Å; V327-I333 HydrophobicContact CG1-CD1 4.29Å; F331-I333 HydrophobicContact CD2-CD1 3.79Å; F331-I333 HydrophobicContact CD2-CG1 4Å; F331-I333 HydrophobicContact CE2-CD1 3.7Å; F331-I333 HydrophobicContact CE2-CG1 4.3Å; I333-V335 HydrophobicContact CG2-CG2 4.47Å
334	E	97.8	Very high	96.9	Very high	11 Å²	11	28.2 Å²	28.2	5%	0.051	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	137.6	174.1	-67.6	177.4	163.2	0	0	111.4	T183 W184 R185 R242 V350 G351	T183-E334 HydrophobicContact CG2-CB 4.43Å; W184-E334 CarbonylContact O-C 3.59Å; W184-E334 WeakPolarHBondContact O-CA 3.42Å; R185-E334 HydrophobicContact CB-CG 4.27Å; R185-E334 HydrophobicContact CG-CG 4.32Å; R185-E334 IonicContact CZ-OE1 2.73Å; R185-E334 IonicContact NE-OE1 3.32Å; R185-E334 PolarHBondContact NE-OE1 3.38Å; R185-E334 IonicContact NH2-OE1 3.32Å; R185-E334 PolarHBondContact NH2-OE1 3.42Å; R242-E334 HydrophobicContact CB-CB 4.34Å; R242-E334 VanDerWaalsContact CB-O 3.25Å; R242-E334 WeakPolarHBondContact CB-O 3.43Å; R242-E334 HydrophobicContact CG-CB 4.14Å; R242-E334 WeakPolarHBondContact CG-O 3.44Å; R242-E334 PolarHBondContact N-O 3.08Å; E334-V350 WeakPolarHBondContact OE2-CB 3.28Å; E334-G351 PolarHBondContact OE1-N 3.36Å; E334-G351 PolarHBondContact OE2-N 3.24Å
335	V	98.6	Very high	96.8	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.012	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	123.4	175.2	-176.7	0	0	0	0	108.3	T183 W184 F204 I239 T240 F241 I333	T183-V335 CarbonylContact C-O 3.51Å; T183-V335 WeakPolarHBondContact CA-O 3.46Å; W184-V335 HydrophobicContact CB-CB 4.33Å; W184-V335 HydrophobicContact CE3-CB 4.32Å; W184-V335 PolarHBondContact N-O 2.87Å; W184-V335 PolarHBondContact O-N 3.46Å; F204-V335 HydrophobicContact CD1-CG2 3.72Å; F204-V335 HydrophobicContact CD2-CG2 3.98Å; F204-V335 HydrophobicContact CE1-CG2 3.73Å; F204-V335 HydrophobicContact CE2-CG2 4Å; F204-V335 HydrophobicContact CG-CG2 3.83Å; F204-V335 HydrophobicContact CZ-CG2 3.87Å; I239-V335 HydrophobicContact CG2-CG1 3.94Å; T240-V335 WeakPolarHBondContact O-CA 3.13Å; F241-V335 HydrophobicContact CD1-CB 4.49Å; F241-V335 HydrophobicContact CD1-CG1 3.76Å; F241-V335 HydrophobicContact CD1-CG2 3.99Å; F241-V335 HydrophobicContact CE1-CG1 3.78Å; I333-V335 HydrophobicContact CG2-CG2 4.47Å
336	L	98.1	Very high	96.6	Very high	3 Å²	3	36.2 Å²	36.2	2%	0.016	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	144.1	-173.9	-54	76.6	0	0	0	110.2	T183 I239 T240 R242 V350	T183-L336 HydrophobicContact CG2-CG 4.17Å; I239-L336 CarbonylContact C-O 3.54Å; I239-L336 WeakPolarHBondContact CA-O 3.49Å; T240-L336 PolarHBondContact N-O 2.93Å; T240-L336 PolarHBondContact O-N 3.35Å; R242-L336 HydrophobicContact CG-CD1 3.67Å; L336-V350 HydrophobicContact CD1-CG1 3.69Å; L336-V350 HydrophobicContact CD2-CG1 3.13Å; L336-V350 HydrophobicContact CG-CG1 3.6Å
337	F	98.6	Very high	96.5	Very high	1 Å²	1	39.2 Å²	39.2	0%	0.004	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	129.4	160.9	176.1	-82.8	0	0	0	109.3	W95 D181 W182 L234 F237 K238 I239	W95-F337 HydrophobicContact CH2-CE2 4.45Å; W95-F337 HydrophobicContact CZ2-CD2 4.31Å; W95-F337 HydrophobicContact CZ2-CE1 4.29Å; W95-F337 AromaticContact CZ2-CE2 3.78Å; W95-F337 HydrophobicContact CZ2-CE2 3.78Å; W95-F337 AromaticContact CZ2-CZ 3.79Å; W95-F337 HydrophobicContact CZ2-CZ 3.79Å; W95-F337 AromaticContact NE1-CE1 3.86Å; D181-F337 WeakPolarHBondContact CA-O 3.32Å; D181-F337 WeakPolarHBondContact CB-O 3.4Å; W182-F337 AromaticContact CD1-CD1 3.88Å; W182-F337 AromaticContact CD1-CG 3.97Å; W182-F337 HydrophobicContact CD2-CB 3.41Å; W182-F337 VanDerWaalsContact CD2-CB 3.41Å; W182-F337 HydrophobicContact CD2-CG 4.3Å; W182-F337 AromaticContact CE2-CG 3.66Å; W182-F337 HydrophobicContact CE3-CB 3.87Å; W182-F337 HydrophobicContact CG-CB 3.88Å; W182-F337 HydrophobicContact CG-CG 4.49Å; W182-F337 HydrophobicContact CH2-CB 3.87Å; W182-F337 HydrophobicContact CZ2-CB 3.41Å; W182-F337 VanDerWaalsContact CZ2-CB 3.41Å; W182-F337 HydrophobicContact CZ2-CD2 4.09Å; W182-F337 AromaticContact CZ2-CG 3.99Å; W182-F337 HydrophobicContact CZ2-CG 3.99Å; W182-F337 HydrophobicContact CZ3-CB 4.07Å; W182-F337 PolarHBondContact N-O 3.42Å; W182-F337 VanDerWaalsContact N-O 3.08Å; W182-F337 AromaticContact NE1-CD1 3.73Å; W182-F337 AromaticContact NE1-CD2 3.98Å; W182-F337 AromaticContact NE1-CG 3.44Å; W182-F337 PolarHBondContact O-N 2.99Å; L234-F337 HydrophobicContact CD1-CZ 4.5Å; L234-F337 HydrophobicContact CD2-CZ 4.05Å; F237-F337 HydrophobicContact CB-CE1 4.34Å; F237-F337 HydrophobicContact CB-CE2 3.6Å; F237-F337 HydrophobicContact CB-CZ 3.47Å; F237-F337 VanDerWaalsContact CB-CZ 3.47Å; F237-F337 HydrophobicContact CD1-CE2 4.34Å; F237-F337 HydrophobicContact CD2-CD2 4.09Å; F237-F337 AromaticContact CD2-CE2 3.44Å; F237-F337 HydrophobicContact CD2-CE2 3.44Å; F237-F337 VanDerWaalsContact CD2-CE2 3.44Å; F237-F337 HydrophobicContact CD2-CZ 4.22Å; F237-F337 HydrophobicContact CE2-CE2 4.19Å; F237-F337 AromaticContact CG-CE2 3.53Å; F237-F337 HydrophobicContact CG-CE2 3.53Å; F237-F337 AromaticContact CG-CZ 3.84Å; F237-F337 HydrophobicContact CG-CZ 3.84Å; K238-F337 WeakPolarHBondContact O-CA 3.49Å; I239-F337 HydrophobicContact CD1-CD2 4.44Å; I239-F337 HydrophobicContact CG1-CD2 3.89Å
338	E	98.6	Very high	96.4	Very high	15 Å²	15	43.8 Å²	43.8	7%	0.07	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	119.8	-179.7	-72.7	-180	114.5	0	0	109.9	D181 F237 K238 R345 Q348	D181-E338 WeakPolarHBondContact OD1-CA 3.17Å; F237-E338 WeakPolarHBondContact CA-O 3.43Å; K238-E338 PolarHBondContact N-O 3.41Å; K238-E338 PolarHBondContact O-N 2.96Å; E338-R345 VanDerWaalsContact CD-NH1 3.29Å; E338-R345 IonicContact OE1-NH1 3.99Å; E338-R345 PolarHBondContact OE1-NH1 3.24Å; E338-Q348 PolarHBondContact OE1-NE2 3.46Å; E338-Q348 PolarHBondContact OE2-NE2 3.47Å
339	S	98.1	Very high	96.4	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.007	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	130	175.1	179.2	0	0	0	0	110.4	D181 S341 F342 R345	D181-S339 PolarHBondContact OD1-N 3.48Å; S339-S341 PolarHBondContact O-N 3.05Å; S339-S341 PolarHBondContact OG-N 2.99Å; S339-S341 PolarHBondContact OG-OG 3.28Å; S339-F342 PolarHBondContact O-N 3.29Å; S339-F342 VanDerWaalsContact O-N 3.13Å; S339-R345 PolarHBondContact O-NH2 2.98Å
340	G	97.6	Very high	96.5	Very high	48 Å²	48	42.4 Å²	42.4	50%	0.495	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-20.5	175.7	0	0	0	0	0	113.6	N236 F342	N236-G340 VanDerWaalsContact O-CA 3.24Å; N236-G340 WeakPolarHBondContact O-CA 2.98Å; N236-G340 PolarHBondContact O-N 3.4Å; G340-F342 VanDerWaalsContact C-N 3.34Å
341	S	97.2	Very high	96.4	Very high	16 Å²	16	40.7 Å²	40.7	11%	0.112	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-12.9	175.8	65.1	0	0	0	0	114.2	D177 H178 S339 Y343	D177-S341 PolarHBondContact N-OG 3.2Å; H178-S341 PolarHBondContact N-OG 3.13Å; H178-S341 WeakPolarHBondContact ND1-CB 3.26Å; H178-S341 PolarHBondContact ND1-OG 2.94Å; S339-S341 PolarHBondContact O-N 3.05Å; S339-S341 PolarHBondContact OG-N 2.99Å; S339-S341 PolarHBondContact OG-OG 3.28Å; S341-Y343 VanDerWaalsContact C-N 3.31Å; S341-Y343 VanDerWaalsContact O-CD1 3.24Å; S341-Y343 WeakPolarHBondContact O-CD1 3.36Å; S341-Y343 PolarHBondContact O-N 2.87Å; S341-Y343 VanDerWaalsContact O-N 3.11Å
342	F	97.3	Very high	96.3	Very high	16 Å²	16	45 Å²	45	7%	0.07	25%	0.25	C	C	.	.			trans	-89.8	66.8	179.6	-164.3	-177.8	0	0	0	110.9	R173 D181 S339 G340 N344 R345	R173-F342 HydrophobicContact CG-CE1 4.17Å; D181-F342 WeakPolarHBondContact OD2-CD1 3.42Å; S339-F342 PolarHBondContact O-N 3.29Å; S339-F342 VanDerWaalsContact O-N 3.13Å; G340-F342 VanDerWaalsContact C-N 3.34Å; F342-N344 VanDerWaalsContact CD2-OD1 3.26Å; F342-N344 WeakPolarHBondContact CD2-OD1 3.17Å; F342-N344 WeakPolarHBondContact CE2-OD1 3.26Å; F342-R345 HydrophobicContact CD1-CB 4.11Å; F342-R345 HydrophobicContact CD2-CB 4.01Å; F342-R345 HydrophobicContact CE1-CB 4.12Å; F342-R345 HydrophobicContact CE2-CB 4.03Å; F342-R345 HydrophobicContact CG-CB 4.06Å; F342-R345 HydrophobicContact CZ-CB 4.09Å; F342-R345 PolarHBondContact O-NE 3.42Å; F342-R345 PolarHBondContact O-NH2 3.41Å
343	Y	94.2	Very high	96.3	Very high	197 Å²	197	45.4 Å²	45.4	77%	0.773	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-26.6	-173.6	56.9	-91.8	0	0	0	113.9	S341	S341-Y343 VanDerWaalsContact C-N 3.31Å; S341-Y343 VanDerWaalsContact O-CD1 3.24Å; S341-Y343 WeakPolarHBondContact O-CD1 3.36Å; S341-Y343 PolarHBondContact O-N 2.87Å; S341-Y343 VanDerWaalsContact O-N 3.11Å
344	N	93.5	Very high	96.2	Very high	105 Å²	105	45.2 Å²	45.2	56%	0.561	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	25.3	-179.4	64	-15.2	0	0	0	113	F342	F342-N344 VanDerWaalsContact CD2-OD1 3.26Å; F342-N344 WeakPolarHBondContact CD2-OD1 3.17Å; F342-N344 WeakPolarHBondContact CE2-OD1 3.26Å
345	R	95.4	Very high	96.2	Very high	68 Å²	68	46.7 Å²	46.7	26%	0.257	26%	0.262	S	S	.	.			trans	-60.9	136.8	178.9	75.1	-170.6	64.7	160.4	-1.1	110.6	E338 S339 F342 N347	E338-R345 VanDerWaalsContact CD-NH1 3.29Å; E338-R345 IonicContact OE1-NH1 3.99Å; E338-R345 PolarHBondContact OE1-NH1 3.24Å; S339-R345 PolarHBondContact O-NH2 2.98Å; F342-R345 HydrophobicContact CD1-CB 4.11Å; F342-R345 HydrophobicContact CD2-CB 4.01Å; F342-R345 HydrophobicContact CE1-CB 4.12Å; F342-R345 HydrophobicContact CE2-CB 4.03Å; F342-R345 HydrophobicContact CG-CB 4.06Å; F342-R345 HydrophobicContact CZ-CB 4.09Å; F342-R345 PolarHBondContact O-NE 3.42Å; F342-R345 PolarHBondContact O-NH2 3.41Å; R345-N347 PolarHBondContact O-N 2.88Å
346	P	93.9	Very high	96.1	Very high	102 Å²	102	53.3 Å²	53.3	66%	0.662	29%	0.292	S	S	*	.	S	Bend	trans	-72.6	-31.6	-174.5	27.1	-34.7	0	0	0	113.2
347	N	95.6	Very high	96.1	Very high	63 Å²	63	54.7 Å²	54.7	34%	0.337	30%	0.299	S	S	.	.	S	Bend	trans	-167.6	171.5	-178.4	50.7	49.3	0	0	0	109.9	R173 R345 I353	R173-N347 PolarHBondContact NH1-O 2.96Å; R173-N347 PolarHBondContact NH1-OD1 3.04Å; R173-N347 PolarHBondContact NH2-OD1 2.86Å; R345-N347 PolarHBondContact O-N 2.88Å; N347-I353 WeakPolarHBondContact OD1-CG2 3.24Å
348	Q	95.3	Very high	96.1	Very high	95 Å²	95	54.8 Å²	54.8	44%	0.444	30%	0.299	S	S	.	.			trans	-78.1	137.1	167.9	-63.4	-166.7	-53.6	0	0	110.7	E338 V350	E338-Q348 PolarHBondContact OE1-NE2 3.46Å; E338-Q348 PolarHBondContact OE2-NE2 3.47Å; Q348-V350 VanDerWaalsContact C-N 3.26Å; Q348-V350 HydrophobicContact CB-CG2 4.04Å; Q348-V350 PolarHBondContact O-N 2.85Å
349	L	96.1	Very high	96.1	Very high	7 Å²	7	58.6 Å²	58.6	4%	0.037	32%	0.317	C	S	.	.	S	Bend	trans	-79.3	68.3	178.4	-175.8	67.3	0	0	0	110.7	V171 R173 T183 I353 M354 E357	V171-L349 HydrophobicContact CB-CD2 4.12Å; V171-L349 HydrophobicContact CG1-CD1 4.28Å; V171-L349 HydrophobicContact CG1-CD2 3.8Å; R173-L349 HydrophobicContact CB-CD2 4.5Å; T183-L349 WeakPolarHBondContact CB-O 3.35Å; T183-L349 VanDerWaalsContact CG2-O 3.3Å; T183-L349 WeakPolarHBondContact CG2-O 3.49Å; T183-L349 PolarHBondContact OG1-O 3.31Å; L349-I353 HydrophobicContact CD1-CG2 4.3Å; L349-M354 HydrophobicContact CD1-SD 4.35Å; L349-M354 HydrophobicContact CD2-SD 4.49Å; L349-M354 HydrophobicContact CG-SD 4.15Å; L349-E357 HydrophobicContact CD1-CB 4.12Å; L349-E357 HydrophobicContact CD1-CG 4.26Å
350	V	95.3	Very high	96.1	Very high	26 Å²	26	63.3 Å²	63.3	16%	0.158	34%	0.335	C	S	.	.			trans	-134.8	164.1	-177.7	-67.4	0	0	0	0	112.3	E334 L336 Q348 S352 I353 M354	E334-V350 WeakPolarHBondContact OE2-CB 3.28Å; L336-V350 HydrophobicContact CD1-CG1 3.69Å; L336-V350 HydrophobicContact CD2-CG1 3.13Å; L336-V350 HydrophobicContact CG-CG1 3.6Å; Q348-V350 VanDerWaalsContact C-N 3.26Å; Q348-V350 HydrophobicContact CB-CG2 4.04Å; Q348-V350 PolarHBondContact O-N 2.85Å; V350-S352 PolarHBondContact O-N 2.88Å; V350-I353 PolarHBondContact O-N 3.06Å; V350-I353 VanDerWaalsContact O-N 3.07Å; V350-M354 PolarHBondContact O-N 3.47Å
351	G	93.7	Very high	96.2	Very high	30 Å²	30	63.2 Å²	63.2	31%	0.309	32%	0.32	S	S	.	.	H	α-helix	trans	51.9	-123.7	171.6	0	0	0	0	0	112.6	R185 E334 I353 M354 T355	R185-G351 PolarHBondContact NH2-O 2.94Å; E334-G351 PolarHBondContact OE1-N 3.36Å; E334-G351 PolarHBondContact OE2-N 3.24Å; G351-I353 VanDerWaalsContact C-N 3.34Å; G351-I353 PolarHBondContact O-N 3.5Å; G351-M354 PolarHBondContact O-N 3.18Å; G351-T355 PolarHBondContact O-N 3.45Å; G351-T355 PolarHBondContact O-OG1 2.81Å; G351-T355 VanDerWaalsContact O-OG1 3.11Å
352	S	94.4	Very high	96.2	Very high	95 Å²	95	64 Å²	64	66%	0.664	32%	0.321	S	S	*	.	H	α-helix	trans	-62.9	-36.4	-179	55.2	0	0	0	0	113.5	V350 T355 Q356	V350-S352 PolarHBondContact O-N 2.88Å; S352-T355 PolarHBondContact O-N 3.28Å; S352-Q356 WeakPolarHBondContact O-CB 3.4Å; S352-Q356 PolarHBondContact O-N 3Å
353	I	96.6	Very high	96.3	Very high	48 Å²	48	66 Å²	66	25%	0.246	34%	0.341	C	S	.	.	H	α-helix	trans	-65.8	-43.5	178.5	-58.4	-58.8	0	0	0	110.6	N347 L349 V350 G351 Q356 E357	N347-I353 WeakPolarHBondContact OD1-CG2 3.24Å; L349-I353 HydrophobicContact CD1-CG2 4.3Å; V350-I353 PolarHBondContact O-N 3.06Å; V350-I353 VanDerWaalsContact O-N 3.07Å; G351-I353 VanDerWaalsContact C-N 3.34Å; G351-I353 PolarHBondContact O-N 3.5Å; I353-Q356 PolarHBondContact O-N 3.23Å; I353-E357 WeakPolarHBondContact O-CB 3.08Å; I353-E357 PolarHBondContact O-N 3.12Å
354	M	95.3	Very high	96.5	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-63	-42.6	174	172.4	55.5	-175	0	0	111.4	V171 T183 R185 L349 V350 G351 E357 L358	V171-M354 HydrophobicContact CB-CE 3.79Å; V171-M354 HydrophobicContact CB-SD 3.6Å; V171-M354 HydrophobicContact CG1-SD 4.42Å; V171-M354 HydrophobicContact CG2-CE 3.46Å; V171-M354 VanDerWaalsContact CG2-CE 3.46Å; V171-M354 HydrophobicContact CG2-SD 3.62Å; T183-M354 HydrophobicContact CG2-CG 4.48Å; R185-M354 HydrophobicContact CB-CE 4.46Å; L349-M354 HydrophobicContact CD1-SD 4.35Å; L349-M354 HydrophobicContact CD2-SD 4.49Å; L349-M354 HydrophobicContact CG-SD 4.15Å; V350-M354 PolarHBondContact O-N 3.47Å; G351-M354 PolarHBondContact O-N 3.18Å; M354-E357 PolarHBondContact O-N 2.78Å; M354-L358 HydrophobicContact CE-CB 4.43Å; M354-L358 VanDerWaalsContact O-CB 3.24Å; M354-L358 WeakPolarHBondContact O-CB 3.27Å; M354-L358 PolarHBondContact O-N 3.1Å
355	T	96.5	Very high	96.8	Very high	42 Å²	42	55.8 Å²	55.8	26%	0.258	30%	0.296	S	S	.	.	H	α-helix	trans	-60.7	-48.5	176.8	-60.2	0	0	0	0	111.6	R185 G351 S352 E357 L358 E359	R185-T355 PolarHBondContact NH1-OG1 2.72Å; R185-T355 PolarHBondContact NH2-OG1 3.38Å; R185-T355 VanDerWaalsContact NH2-OG1 3.07Å; G351-T355 PolarHBondContact O-N 3.45Å; G351-T355 PolarHBondContact O-OG1 2.81Å; G351-T355 VanDerWaalsContact O-OG1 3.11Å; S352-T355 PolarHBondContact O-N 3.28Å; T355-E357 PolarHBondContact O-N 3.37Å; T355-L358 PolarHBondContact O-N 3.19Å; T355-E359 WeakPolarHBondContact O-CG 3.33Å; T355-E359 PolarHBondContact O-N 3.48Å
356	Q	97.4	Very high	96.9	Very high	141 Å²	141	55.3 Å²	55.3	66%	0.659	30%	0.299	S	S	*	.	H	α-helix	trans	-60.8	-46.2	-179.2	-175.4	-179.6	30.8	0	0	111.7	S352 I353 E359 R360	S352-Q356 WeakPolarHBondContact O-CB 3.4Å; S352-Q356 PolarHBondContact O-N 3Å; I353-Q356 PolarHBondContact O-N 3.23Å; Q356-E359 PolarHBondContact O-N 2.82Å; Q356-R360 PolarHBondContact O-N 2.98Å
357	E	97.9	Very high	97.1	Very high	33 Å²	33	53.6 Å²	53.6	15%	0.154	29%	0.293	C	S	.	.	H	α-helix	trans	-66.3	-41.8	179.1	179.6	62.4	-175	0	0	111.4	V171 L349 I353 M354 T355 E359 R360 R361	V171-E357 HydrophobicContact CG1-CB 4.35Å; V171-E357 HydrophobicContact CG1-CG 3.41Å; V171-E357 VanDerWaalsContact CG1-CG 3.41Å; L349-E357 HydrophobicContact CD1-CB 4.12Å; L349-E357 HydrophobicContact CD1-CG 4.26Å; I353-E357 WeakPolarHBondContact O-CB 3.08Å; I353-E357 PolarHBondContact O-N 3.12Å; M354-E357 PolarHBondContact O-N 2.78Å; T355-E357 PolarHBondContact O-N 3.37Å; E357-E359 PolarHBondContact O-N 3.46Å; E357-R360 WeakPolarHBondContact O-CB 3.49Å; E357-R360 PolarHBondContact O-N 3.39Å; E357-R360 IonicContact OE1-CZ 3.79Å; E357-R360 IonicContact OE1-NE 3.66Å; E357-R360 IonicContact OE1-NH2 3.95Å; E357-R360 PolarHBondContact OE1-NH2 2.89Å; E357-R360 IonicContact OE2-CZ 2.76Å; E357-R360 VanDerWaalsContact OE2-CZ 3.32Å; E357-R360 IonicContact OE2-NE 3.33Å; E357-R360 PolarHBondContact OE2-NE 3.44Å; E357-R360 IonicContact OE2-NH2 2.89Å; E357-R360 PolarHBondContact OE2-NH2 3.49Å; E357-R361 WeakPolarHBondContact O-CG 3.45Å; E357-R361 PolarHBondContact O-N 3.39Å; E357-R361 IonicContact OE1-CZ 2.76Å; E357-R361 IonicContact OE1-NE 3.25Å; E357-R361 PolarHBondContact OE1-NE 3.06Å; E357-R361 IonicContact OE1-NH2 2.86Å; E357-R361 PolarHBondContact OE1-NH2 3.43Å
358	L	98.3	Very high	97.3	Very high	2 Å²	2	54.1 Å²	54.1	1%	0.01	29%	0.293	C	S	.	.	H	α-helix	trans	-60.2	-45.8	176.6	179.5	64.5	0	0	0	112.2	F154 V156 E169 V171 M354 T355 R360 R361 K362	F154-L358 HydrophobicContact CD2-CD1 3.92Å; V156-L358 HydrophobicContact CG2-CD1 4.09Å; E169-L358 HydrophobicContact CB-CD2 4.34Å; E169-L358 HydrophobicContact CG-CD2 4.44Å; E169-L358 VanDerWaalsContact OE1-CD2 3.31Å; E169-L358 WeakPolarHBondContact OE1-CD2 3.25Å; V171-L358 HydrophobicContact CG2-CB 4.01Å; V171-L358 HydrophobicContact CG2-CD1 3.91Å; M354-L358 HydrophobicContact CE-CB 4.43Å; M354-L358 VanDerWaalsContact O-CB 3.24Å; M354-L358 WeakPolarHBondContact O-CB 3.27Å; M354-L358 PolarHBondContact O-N 3.1Å; T355-L358 PolarHBondContact O-N 3.19Å; L358-R360 VanDerWaalsContact C-N 3.34Å; L358-R361 PolarHBondContact O-N 3.03Å; L358-K362 HydrophobicContact CG-CD 4.39Å; L358-K362 WeakPolarHBondContact O-CG 3.29Å; L358-K362 PolarHBondContact O-N 3.37Å
359	E	98.5	Very high	97.4	Very high	96 Å²	96	49.6 Å²	49.6	45%	0.449	27%	0.272	S	S	.	.	H	α-helix	trans	-65.9	-37	178.1	-68.6	-50.7	127.3	0	0	112.1	T355 Q356 E357 R361 K362 A363	T355-E359 WeakPolarHBondContact O-CG 3.33Å; T355-E359 PolarHBondContact O-N 3.48Å; Q356-E359 PolarHBondContact O-N 2.82Å; E357-E359 PolarHBondContact O-N 3.46Å; E359-R361 PolarHBondContact O-N 2.84Å; E359-K362 PolarHBondContact O-N 2.72Å; E359-K362 WeakPolarHBondContact OE1-CD 3.16Å; E359-K362 IonicContact OE1-NZ 3.53Å; E359-K362 PolarHBondContact OE1-NZ 3.13Å; E359-A363 PolarHBondContact O-N 3.33Å
360	R	98.5	Very high	97.5	Very high	100 Å²	100	51.5 Å²	51.5	38%	0.377	28%	0.28	S	S	.	.	H	α-helix	trans	-59.1	-46.9	171.5	-172.3	-177.3	68.9	94	-11.5	111.4	Q356 E357 L358 A363 E364	Q356-R360 PolarHBondContact O-N 2.98Å; E357-R360 WeakPolarHBondContact O-CB 3.49Å; E357-R360 PolarHBondContact O-N 3.39Å; E357-R360 IonicContact OE1-CZ 3.79Å; E357-R360 IonicContact OE1-NE 3.66Å; E357-R360 IonicContact OE1-NH2 3.95Å; E357-R360 PolarHBondContact OE1-NH2 2.89Å; E357-R360 IonicContact OE2-CZ 2.76Å; E357-R360 VanDerWaalsContact OE2-CZ 3.32Å; E357-R360 IonicContact OE2-NE 3.33Å; E357-R360 PolarHBondContact OE2-NE 3.44Å; E357-R360 IonicContact OE2-NH2 2.89Å; E357-R360 PolarHBondContact OE2-NH2 3.49Å; L358-R360 VanDerWaalsContact C-N 3.34Å; R360-A363 PolarHBondContact O-N 2.98Å; R360-E364 IonicContact CZ-OE1 3.24Å; R360-E364 VanDerWaalsContact NH1-CD 3.31Å; R360-E364 IonicContact NH1-OE1 3.95Å; R360-E364 PolarHBondContact NH1-OE1 2.99Å; R360-E364 IonicContact NH1-OE2 3.52Å; R360-E364 PolarHBondContact NH1-OE2 2.85Å; R360-E364 WeakPolarHBondContact O-CG 3.39Å; R360-E364 PolarHBondContact O-N 3.12Å
361	R	98.5	Very high	97.7	Very high	46 Å²	46	59 Å²	59	17%	0.174	31%	0.311	C	S	.	.	H	α-helix	trans	-66	-38.3	179.2	-64.4	-50.4	-178.1	167.6	12.2	113.2	F154 E357 L358 E359 A363 E364 F365	F154-R361 HydrophobicContact CB-CB 4.01Å; F154-R361 HydrophobicContact CB-CG 4.2Å; F154-R361 HydrophobicContact CD1-CB 3.52Å; F154-R361 HydrophobicContact CD1-CG 4.26Å; F154-R361 HydrophobicContact CD2-CB 4.04Å; F154-R361 HydrophobicContact CE1-CB 3.92Å; F154-R361 HydrophobicContact CE2-CB 4.41Å; F154-R361 HydrophobicContact CG-CB 3.57Å; F154-R361 HydrophobicContact CG-CG 4.27Å; F154-R361 HydrophobicContact CZ-CB 4.35Å; E357-R361 WeakPolarHBondContact O-CG 3.45Å; E357-R361 PolarHBondContact O-N 3.39Å; E357-R361 IonicContact OE1-CZ 2.76Å; E357-R361 IonicContact OE1-NE 3.25Å; E357-R361 PolarHBondContact OE1-NE 3.06Å; E357-R361 IonicContact OE1-NH2 2.86Å; E357-R361 PolarHBondContact OE1-NH2 3.43Å; L358-R361 PolarHBondContact O-N 3.03Å; E359-R361 PolarHBondContact O-N 2.84Å; R361-A363 VanDerWaalsContact C-N 3.34Å; R361-A363 PolarHBondContact O-N 2.95Å; R361-E364 WeakPolarHBondContact CD-OE2 3.35Å; R361-E364 IonicContact CZ-OE2 3.94Å; R361-E364 IonicContact NE-OE2 3.72Å; R361-E364 IonicContact NH1-OE2 2.71Å; R361-E364 PolarHBondContact NH1-OE2 2.87Å; R361-E364 PolarHBondContact O-N 3.21Å; R361-F365 WeakPolarHBondContact O-CB 3.5Å; R361-F365 PolarHBondContact O-N 2.91Å
362	K	98.8	Very high	97.8	Very high	31 Å²	31	59.4 Å²	59.4	14%	0.135	31%	0.305	C	S	.	.	H	α-helix	trans	-59.4	-44.8	172	-72.3	171.9	-179	167.3	0	111.3	M148 F154 E169 L358 E359 F365 N366	M148-K362 HydrophobicContact CE-CD 4.18Å; M148-K362 HydrophobicContact CE-CG 4.06Å; M148-K362 HydrophobicContact SD-CB 4.2Å; M148-K362 HydrophobicContact SD-CG 3.92Å; F154-K362 HydrophobicContact CE2-CG 3.94Å; E169-K362 IonicContact OE1-NZ 2.59Å; L358-K362 HydrophobicContact CG-CD 4.39Å; L358-K362 WeakPolarHBondContact O-CG 3.29Å; L358-K362 PolarHBondContact O-N 3.37Å; E359-K362 PolarHBondContact O-N 2.72Å; E359-K362 WeakPolarHBondContact OE1-CD 3.16Å; E359-K362 IonicContact OE1-NZ 3.53Å; E359-K362 PolarHBondContact OE1-NZ 3.13Å; K362-F365 PolarHBondContact O-N 3.05Å; K362-N366 WeakPolarHBondContact O-CB 3.42Å; K362-N366 VanDerWaalsContact O-CG 3.23Å; K362-N366 PolarHBondContact O-N 2.79Å; K362-N366 PolarHBondContact O-ND2 3.02Å
363	A	98.7	Very high	98	Very high	59 Å²	59	54.9 Å²	54.9	49%	0.488	27%	0.274	S	S	.	.	H	α-helix	trans	-63	-45.8	177.3	0	0	0	0	0	112	E359 R360 R361 F365 N366 A367	E359-A363 PolarHBondContact O-N 3.33Å; R360-A363 PolarHBondContact O-N 2.98Å; R361-A363 VanDerWaalsContact C-N 3.34Å; R361-A363 PolarHBondContact O-N 2.95Å; A363-F365 PolarHBondContact O-N 3.32Å; A363-N366 PolarHBondContact O-N 3.08Å; A363-A367 WeakPolarHBondContact O-CB 3.14Å; A363-A367 PolarHBondContact O-N 3.36Å
364	E	98.6	Very high	98.1	Very high	83 Å²	83	53.3 Å²	53.3	39%	0.388	27%	0.269	S	S	.	.	H	α-helix	trans	-60.7	-44.2	176.3	-74	174.1	178.4	0	0	112.5	R360 R361 A367 K368	R360-E364 IonicContact CZ-OE1 3.24Å; R360-E364 VanDerWaalsContact NH1-CD 3.31Å; R360-E364 IonicContact NH1-OE1 3.95Å; R360-E364 PolarHBondContact NH1-OE1 2.99Å; R360-E364 IonicContact NH1-OE2 3.52Å; R360-E364 PolarHBondContact NH1-OE2 2.85Å; R360-E364 WeakPolarHBondContact O-CG 3.39Å; R360-E364 PolarHBondContact O-N 3.12Å; R361-E364 WeakPolarHBondContact CD-OE2 3.35Å; R361-E364 IonicContact CZ-OE2 3.94Å; R361-E364 IonicContact NE-OE2 3.72Å; R361-E364 IonicContact NH1-OE2 2.71Å; R361-E364 PolarHBondContact NH1-OE2 2.87Å; R361-E364 PolarHBondContact O-N 3.21Å; E364-A367 PolarHBondContact O-N 3.36Å; E364-K368 WeakPolarHBondContact O-CB 3.15Å; E364-K368 PolarHBondContact O-N 3.13Å
365	F	98.8	Very high	98.2	Very high	4 Å²	4	53.3 Å²	53.3	2%	0.018	27%	0.269	C	S	.	.	H	α-helix	trans	-60.3	-47.1	175.6	175.6	-92	0	0	0	111.6	M148 D150 F154 R361 K362 A363 A367 K368 F369 K389 W452	M148-F365 HydrophobicContact CB-CD1 4.31Å; M148-F365 HydrophobicContact CB-CE1 4.28Å; M148-F365 HydrophobicContact CG-CD1 3.91Å; M148-F365 HydrophobicContact CG-CE1 3.83Å; M148-F365 HydrophobicContact SD-CD1 4.19Å; D150-F365 HydrophobicContact CB-CD2 4.23Å; F154-F365 HydrophobicContact CE1-CB 3.76Å; F154-F365 HydrophobicContact CE1-CD2 4.32Å; F154-F365 HydrophobicContact CE1-CG 4.29Å; F154-F365 HydrophobicContact CZ-CB 3.58Å; F154-F365 HydrophobicContact CZ-CD2 4.29Å; F154-F365 AromaticContact CZ-CG 3.96Å; F154-F365 HydrophobicContact CZ-CG 3.96Å; R361-F365 WeakPolarHBondContact O-CB 3.5Å; R361-F365 PolarHBondContact O-N 2.91Å; K362-F365 PolarHBondContact O-N 3.05Å; A363-F365 PolarHBondContact O-N 3.32Å; F365-A367 PolarHBondContact O-N 3.27Å; F365-K368 PolarHBondContact O-N 3.44Å; F365-F369 HydrophobicContact CZ-CD2 4.39Å; F365-F369 WeakPolarHBondContact O-CB 3.49Å; F365-F369 PolarHBondContact O-N 2.91Å; F365-K389 HydrophobicContact CE1-CB 4.03Å; F365-K389 HydrophobicContact CE1-CD 4.03Å; F365-K389 HydrophobicContact CE1-CG 3.82Å; F365-K389 HydrophobicContact CZ-CB 4.37Å; F365-K389 HydrophobicContact CZ-CG 4.39Å; F365-W452 AromaticContact CD2-CH2 3.52Å; F365-W452 HydrophobicContact CD2-CH2 3.52Å; F365-W452 AromaticContact CD2-CZ2 3.7Å; F365-W452 HydrophobicContact CD2-CZ2 3.7Å; F365-W452 AromaticContact CE2-CH2 3.71Å; F365-W452 HydrophobicContact CE2-CH2 3.71Å; F365-W452 AromaticContact CE2-CZ2 3.9Å; F365-W452 HydrophobicContact CE2-CZ2 3.9Å; F365-W452 HydrophobicContact CE2-CZ3 4.46Å; F365-W452 HydrophobicContact CG-CH2 4.33Å
366	N	98.6	Very high	98.3	Very high	58 Å²	58	56.8 Å²	56.8	31%	0.31	28%	0.283	S	S	.	.	H	α-helix	trans	-61	-45.7	179.1	-74.3	-36.6	0	0	0	111.7	K362 A363 F369 E370 K389	K362-N366 WeakPolarHBondContact O-CB 3.42Å; K362-N366 VanDerWaalsContact O-CG 3.23Å; K362-N366 PolarHBondContact O-N 2.79Å; K362-N366 PolarHBondContact O-ND2 3.02Å; A363-N366 PolarHBondContact O-N 3.08Å; N366-F369 PolarHBondContact O-N 3.39Å; N366-E370 PolarHBondContact O-N 3.19Å; N366-K389 WeakPolarHBondContact OD1-CE 3.15Å; N366-K389 PolarHBondContact OD1-NZ 2.92Å
367	A	98.6	Very high	98.2	Very high	66 Å²	66	54.9 Å²	54.9	55%	0.545	29%	0.285	S	S	.	.	H	α-helix	trans	-63.8	-45	178.1	0	0	0	0	0	111.9	A363 E364 F365 K371	A363-A367 WeakPolarHBondContact O-CB 3.14Å; A363-A367 PolarHBondContact O-N 3.36Å; E364-A367 PolarHBondContact O-N 3.36Å; F365-A367 PolarHBondContact O-N 3.27Å; A367-K371 WeakPolarHBondContact O-CB 3.44Å; A367-K371 PolarHBondContact O-N 3.36Å
368	K	98.4	Very high	98.1	Very high	75 Å²	75	57.7 Å²	57.7	33%	0.326	30%	0.296	S	S	.	.	H	α-helix	trans	-64.6	-41.9	177	-176.9	178.7	170.1	-169.6	0	111.6	E364 F365 K371 I372 W452	E364-K368 WeakPolarHBondContact O-CB 3.15Å; E364-K368 PolarHBondContact O-N 3.13Å; F365-K368 PolarHBondContact O-N 3.44Å; K368-K371 PolarHBondContact O-N 2.8Å; K368-I372 HydrophobicContact CD-CD1 4.32Å; K368-I372 HydrophobicContact CG-CD1 3.7Å; K368-I372 HydrophobicContact CG-CG1 4.49Å; K368-I372 VanDerWaalsContact O-CG1 3.31Å; K368-I372 WeakPolarHBondContact O-CG1 3.42Å; K368-I372 PolarHBondContact O-N 2.78Å; K368-W452 HydrophobicContact CB-CH2 3.91Å; K368-W452 HydrophobicContact CB-CZ3 4.06Å; K368-W452 HydrophobicContact CD-CD2 4.39Å; K368-W452 HydrophobicContact CD-CE3 4.18Å; K368-W452 HydrophobicContact CD-CH2 3.53Å; K368-W452 HydrophobicContact CD-CZ2 3.73Å; K368-W452 HydrophobicContact CD-CZ3 3.77Å; K368-W452 VanDerWaalsContact CE-O 3.3Å; K368-W452 WeakPolarHBondContact CE-O 3.37Å; K368-W452 HydrophobicContact CG-CE3 4.24Å; K368-W452 HydrophobicContact CG-CH2 3.72Å; K368-W452 HydrophobicContact CG-CZ2 4.42Å; K368-W452 HydrophobicContact CG-CZ3 3.6Å; K368-W452 PolarHBondContact NZ-O 3.36Å
369	F	98.8	Very high	98.1	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-61	-49.1	178.6	-176.5	-84.4	0	0	0	111.3	F365 N366 I372 F373 L375 I385 A388 K389 L392 W452	F365-F369 HydrophobicContact CZ-CD2 4.39Å; F365-F369 WeakPolarHBondContact O-CB 3.49Å; F365-F369 PolarHBondContact O-N 2.91Å; N366-F369 PolarHBondContact O-N 3.39Å; F369-I372 PolarHBondContact O-N 3.43Å; F369-F373 HydrophobicContact CD1-CD2 4.31Å; F369-F373 AromaticContact CD2-CD2 3.62Å; F369-F373 HydrophobicContact CD2-CD2 3.62Å; F369-F373 AromaticContact CD2-CE2 3.85Å; F369-F373 HydrophobicContact CD2-CE2 3.85Å; F369-F373 HydrophobicContact CE1-CB 4.35Å; F369-F373 HydrophobicContact CE1-CD2 4.23Å; F369-F373 AromaticContact CE2-CD2 3.53Å; F369-F373 HydrophobicContact CE2-CD2 3.53Å; F369-F373 AromaticContact CE2-CE2 3.82Å; F369-F373 HydrophobicContact CE2-CE2 3.82Å; F369-F373 HydrophobicContact CE2-CG 4.42Å; F369-F373 HydrophobicContact CG-CD2 4.01Å; F369-F373 HydrophobicContact CZ-CB 4.42Å; F369-F373 AromaticContact CZ-CD2 3.84Å; F369-F373 HydrophobicContact CZ-CD2 3.84Å; F369-F373 HydrophobicContact CZ-CG 4.35Å; F369-F373 WeakPolarHBondContact O-CD2 3.23Å; F369-F373 PolarHBondContact O-N 3.15Å; F369-L375 HydrophobicContact CE1-CD1 3.83Å; F369-L375 HydrophobicContact CE1-CG 4.28Å; F369-L375 HydrophobicContact CZ-CD1 3.95Å; F369-I385 HydrophobicContact CE1-CG2 4.28Å; F369-A388 HydrophobicContact CZ-CB 3.73Å; F369-K389 HydrophobicContact CD1-CD 4.38Å; F369-K389 HydrophobicContact CD1-CG 3.84Å; F369-K389 HydrophobicContact CD2-CG 3.8Å; F369-K389 HydrophobicContact CE1-CG 3.86Å; F369-K389 HydrophobicContact CE2-CB 4.46Å; F369-K389 HydrophobicContact CE2-CG 3.81Å; F369-K389 HydrophobicContact CG-CG 3.82Å; F369-K389 HydrophobicContact CZ-CG 3.85Å; F369-L392 HydrophobicContact CD2-CD2 3.82Å; F369-L392 HydrophobicContact CE2-CB 4.47Å; F369-L392 HydrophobicContact CE2-CD2 3.99Å; F369-W452 HydrophobicContact CB-CZ3 4.26Å
370	E	98.3	Very high	98.1	Very high	46 Å²	46	58 Å²	58	22%	0.215	32%	0.315	C	S	.	.	H	α-helix	trans	-65.9	-40.5	178.5	-175.8	55.8	-154.6	0	0	111.5	N366 I372 G374 L375 E376 S377	N366-E370 PolarHBondContact O-N 3.19Å; E370-I372 PolarHBondContact O-N 2.89Å; E370-G374 VanDerWaalsContact O-CA 3.3Å; E370-G374 WeakPolarHBondContact O-CA 3.44Å; E370-G374 PolarHBondContact O-N 3.23Å; E370-G374 VanDerWaalsContact OE1-CA 3.25Å; E370-G374 WeakPolarHBondContact OE1-CA 3.32Å; E370-L375 PolarHBondContact OE1-N 3.09Å; E370-L375 PolarHBondContact OE2-N 2.83Å; E370-E376 WeakPolarHBondContact OE1-CB 3.22Å; E370-E376 PolarHBondContact OE1-N 3.37Å; E370-E376 VanDerWaalsContact OE1-N 3.16Å; E370-E376 PolarHBondContact OE2-N 3.11Å; E370-E376 VanDerWaalsContact OE2-N 3.15Å; E370-S377 PolarHBondContact OE1-N 3.18Å
371	K	97.8	Very high	98.1	Very high	185 Å²	185	55.7 Å²	55.7	80%	0.804	32%	0.315	S	S	*	.	H	α-helix	trans	-56.8	-37.7	174.8	-179.1	-179.9	177.6	-177.5	0	112.7	A367 K368	A367-K371 WeakPolarHBondContact O-CB 3.44Å; A367-K371 PolarHBondContact O-N 3.36Å; K368-K371 PolarHBondContact O-N 2.8Å
372	I	97.1	Very high	98.1	Very high	37 Å²	37	58.3 Å²	58.3	19%	0.19	33%	0.329	C	S	.	.	H	α-helix	trans	-83.3	-46.7	-176.9	-68.4	167.8	0	0	0	111.1	K368 F369 E370 K451 W452 H844	K368-I372 HydrophobicContact CD-CD1 4.32Å; K368-I372 HydrophobicContact CG-CD1 3.7Å; K368-I372 HydrophobicContact CG-CG1 4.49Å; K368-I372 VanDerWaalsContact O-CG1 3.31Å; K368-I372 WeakPolarHBondContact O-CG1 3.42Å; K368-I372 PolarHBondContact O-N 2.78Å; F369-I372 PolarHBondContact O-N 3.43Å; E370-I372 PolarHBondContact O-N 2.89Å; I372-K451 HydrophobicContact CG2-CB 4.12Å; I372-W452 HydrophobicContact CD1-CD2 4.5Å; I372-W452 HydrophobicContact CD1-CE3 3.65Å; I372-W452 HydrophobicContact CD1-CZ3 4.08Å; I372-H844 PolarHBondContact O-CE1 3.03Å
373	F	98.5	Very high	98	Very high	1 Å²	1	60.3 Å²	60.3	0%	0.004	34%	0.344	C	S	.	.	H	α-helix	trans	-104.5	-15.8	-168.4	-60.4	-71.5	0	0	0	114.3	F369 L375 L392 L448 K451 W452 V838 L839 A842	F369-F373 HydrophobicContact CD1-CD2 4.31Å; F369-F373 AromaticContact CD2-CD2 3.62Å; F369-F373 HydrophobicContact CD2-CD2 3.62Å; F369-F373 AromaticContact CD2-CE2 3.85Å; F369-F373 HydrophobicContact CD2-CE2 3.85Å; F369-F373 HydrophobicContact CE1-CB 4.35Å; F369-F373 HydrophobicContact CE1-CD2 4.23Å; F369-F373 AromaticContact CE2-CD2 3.53Å; F369-F373 HydrophobicContact CE2-CD2 3.53Å; F369-F373 AromaticContact CE2-CE2 3.82Å; F369-F373 HydrophobicContact CE2-CE2 3.82Å; F369-F373 HydrophobicContact CE2-CG 4.42Å; F369-F373 HydrophobicContact CG-CD2 4.01Å; F369-F373 HydrophobicContact CZ-CB 4.42Å; F369-F373 AromaticContact CZ-CD2 3.84Å; F369-F373 HydrophobicContact CZ-CD2 3.84Å; F369-F373 HydrophobicContact CZ-CG 4.35Å; F369-F373 WeakPolarHBondContact O-CD2 3.23Å; F369-F373 PolarHBondContact O-N 3.15Å; F373-L375 HydrophobicContact CB-CD2 4.28Å; F373-L375 HydrophobicContact CB-CG 3.97Å; F373-L375 WeakPolarHBondContact O-CD2 3.36Å; F373-L375 PolarHBondContact O-N 2.83Å; F373-L375 VanDerWaalsContact O-N 3.11Å; F373-L392 HydrophobicContact CE2-CD2 3.82Å; F373-L392 HydrophobicContact CZ-CD2 4.32Å; F373-L448 HydrophobicContact CE1-CD1 3.75Å; F373-L448 HydrophobicContact CZ-CD1 3.76Å; F373-K451 HydrophobicContact CE1-CB 4.29Å; F373-K451 HydrophobicContact CZ-CB 4.42Å; F373-W452 HydrophobicContact CE2-CE3 4.4Å; F373-V838 HydrophobicContact CD1-CG1 3.91Å; F373-V838 HydrophobicContact CE1-CG1 3.92Å; F373-V838 HydrophobicContact CG-CG1 4.26Å; F373-V838 HydrophobicContact CZ-CG1 4.28Å; F373-L839 HydrophobicContact CE1-CD2 4.11Å; F373-A842 HydrophobicContact CB-CB 4.14Å; F373-A842 HydrophobicContact CD1-CB 3.94Å
374	G	98.3	Very high	98	Very high	15 Å²	15	59.2 Å²	59.2	16%	0.155	33%	0.329	C	S	.	.			trans	56.8	28.9	172.9	0	0	0	0	0	114.8	E370 E376 S377 K378	E370-G374 VanDerWaalsContact O-CA 3.3Å; E370-G374 WeakPolarHBondContact O-CA 3.44Å; E370-G374 PolarHBondContact O-N 3.23Å; E370-G374 VanDerWaalsContact OE1-CA 3.25Å; E370-G374 WeakPolarHBondContact OE1-CA 3.32Å; G374-E376 PolarHBondContact O-N 3.43Å; G374-S377 PolarHBondContact O-N 3.19Å; G374-S377 PolarHBondContact O-OG 3.45Å; G374-K378 WeakPolarHBondContact O-CG 3.43Å; G374-K378 PolarHBondContact O-N 3.32Å; G374-K378 VanDerWaalsContact O-N 3.08Å
375	L	98.5	Very high	98	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-34.6	-168.7	-62.8	-170.3	0	0	0	112.2	F369 E370 F373 K378 G379 F380 I385 A388 M841 A842	F369-L375 HydrophobicContact CE1-CD1 3.83Å; F369-L375 HydrophobicContact CE1-CG 4.28Å; F369-L375 HydrophobicContact CZ-CD1 3.95Å; E370-L375 PolarHBondContact OE1-N 3.09Å; E370-L375 PolarHBondContact OE2-N 2.83Å; F373-L375 HydrophobicContact CB-CD2 4.28Å; F373-L375 HydrophobicContact CB-CG 3.97Å; F373-L375 WeakPolarHBondContact O-CD2 3.36Å; F373-L375 PolarHBondContact O-N 2.83Å; F373-L375 VanDerWaalsContact O-N 3.11Å; L375-K378 PolarHBondContact O-N 3.31Å; L375-G379 PolarHBondContact O-N 2.94Å; L375-F380 HydrophobicContact CB-CB 4.29Å; L375-F380 HydrophobicContact CB-CD2 4.09Å; L375-F380 HydrophobicContact CD2-CD2 3.98Å; L375-F380 HydrophobicContact CD2-CE2 4.09Å; L375-F380 WeakPolarHBondContact O-CB 3.33Å; L375-F380 WeakPolarHBondContact O-CD2 3.22Å; L375-F380 PolarHBondContact O-N 3.33Å; L375-I385 HydrophobicContact CB-CG1 3.98Å; L375-A388 HydrophobicContact CD1-CB 3.5Å; L375-A388 VanDerWaalsContact CD1-CB 3.5Å; L375-M841 HydrophobicContact CD1-CE 3.97Å; L375-M841 HydrophobicContact CD2-CB 3.78Å; L375-A842 HydrophobicContact CD2-CB 4.17Å
376	E	97.1	Very high	98	Very high	115 Å²	115	62 Å²	62	54%	0.537	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-44.9	174.7	-174.3	164.6	-138.3	0	0	110.5	E370 G374 K378 G379 Q382 I385	E370-E376 WeakPolarHBondContact OE1-CB 3.22Å; E370-E376 PolarHBondContact OE1-N 3.37Å; E370-E376 VanDerWaalsContact OE1-N 3.16Å; E370-E376 PolarHBondContact OE2-N 3.11Å; E370-E376 VanDerWaalsContact OE2-N 3.15Å; G374-E376 PolarHBondContact O-N 3.43Å; E376-K378 PolarHBondContact O-N 3.48Å; E376-G379 PolarHBondContact O-N 3.21Å; E376-Q382 PolarHBondContact OE1-NE2 2.76Å; E376-I385 HydrophobicContact CB-CD1 3.95Å
377	S	95.6	Very high	98	Very high	100 Å²	100	59.3 Å²	59.3	70%	0.699	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-26.6	176.7	76.9	0	0	0	0	113.7	E370 G374 G379	E370-S377 PolarHBondContact OE1-N 3.18Å; G374-S377 PolarHBondContact O-N 3.19Å; G374-S377 PolarHBondContact O-OG 3.45Å; S377-G379 VanDerWaalsContact C-N 3.31Å
378	K	96.9	Very high	98	Very high	92 Å²	92	56.1 Å²	56.1	40%	0.4	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	5.3	175.7	-72.1	174.9	179.2	-79.4	0	113.6	G374 L375 E376 F380 A842 E843	G374-K378 WeakPolarHBondContact O-CG 3.43Å; G374-K378 PolarHBondContact O-N 3.32Å; G374-K378 VanDerWaalsContact O-N 3.08Å; L375-K378 PolarHBondContact O-N 3.31Å; E376-K378 PolarHBondContact O-N 3.48Å; K378-F380 HydrophobicContact CB-CD2 4.04Å; K378-F380 HydrophobicContact CB-CE2 4.14Å; K378-A842 WeakPolarHBondContact CE-O 3.25Å; K378-A842 PolarHBondContact NZ-O 2.82Å; K378-E843 IonicContact NZ-OE2 3.28Å; K378-E843 PolarHBondContact NZ-OE2 3.12Å
379	G	97.6	Very high	98	Very high	68 Å²	68	54 Å²	54	70%	0.701	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.2	14.3	174.4	0	0	0	0	0	115.3	L375 E376 S377	L375-G379 PolarHBondContact O-N 2.94Å; E376-G379 PolarHBondContact O-N 3.21Å; S377-G379 VanDerWaalsContact C-N 3.31Å
380	F	98.4	Very high	98	Very high	36 Å²	36	54.1 Å²	54.1	16%	0.158	29%	0.291	C	S	.	.			trans	-70.7	135.7	173.1	-73.3	-82.1	0	0	0	110.9	L375 K378 H384 I385 I800 M841	L375-F380 HydrophobicContact CB-CB 4.29Å; L375-F380 HydrophobicContact CB-CD2 4.09Å; L375-F380 HydrophobicContact CD2-CD2 3.98Å; L375-F380 HydrophobicContact CD2-CE2 4.09Å; L375-F380 WeakPolarHBondContact O-CB 3.33Å; L375-F380 WeakPolarHBondContact O-CD2 3.22Å; L375-F380 PolarHBondContact O-N 3.33Å; K378-F380 HydrophobicContact CB-CD2 4.04Å; K378-F380 HydrophobicContact CB-CE2 4.14Å; F380-H384 HydrophobicContact CB-CB 4.13Å; F380-H384 HydrophobicContact CD1-CB 4.03Å; F380-I385 HydrophobicContact CB-CG1 4.25Å; F380-I800 HydrophobicContact CE1-CG2 4.28Å; F380-I800 HydrophobicContact CZ-CD1 4.43Å; F380-M841 HydrophobicContact CD1-CE 3.57Å; F380-M841 HydrophobicContact CE1-CB 4.26Å; F380-M841 HydrophobicContact CE1-CE 3.72Å; F380-M841 HydrophobicContact CE1-CG 4Å; F380-M841 HydrophobicContact CE2-CB 4.01Å; F380-M841 VanDerWaalsContact CE2-O 3.26Å; F380-M841 WeakPolarHBondContact CE2-O 3.26Å; F380-M841 HydrophobicContact CG-CE 4.02Å; F380-M841 HydrophobicContact CZ-CB 3.73Å; F380-M841 HydrophobicContact CZ-CE 4.29Å; F380-M841 HydrophobicContact CZ-CG 3.93Å
381	S	98.2	Very high	98.1	Very high	53 Å²	53	51.9 Å²	51.9	37%	0.371	28%	0.28	S	S	.	.			trans	-64.4	160.5	175.8	71.5	0	0	0	0	112.1	T383 H384 I385	S381-T383 PolarHBondContact O-N 2.93Å; S381-T383 VanDerWaalsContact O-N 3.11Å; S381-T383 PolarHBondContact OG-OG1 3.08Å; S381-T383 VanDerWaalsContact OG-OG1 3.08Å; S381-H384 WeakPolarHBondContact O-CB 3.15Å; S381-H384 PolarHBondContact O-N 3.35Å; S381-H384 VanDerWaalsContact O-N 3.07Å; S381-H384 PolarHBondContact OG-N 2.97Å; S381-H384 PolarHBondContact OG-ND1 3.28Å; S381-I385 PolarHBondContact O-N 3.14Å
382	Q	98	Very high	98.1	Very high	101 Å²	101	43.1 Å²	43.1	47%	0.472	24%	0.242	S	C	.	.	H	α-helix	trans	-57.6	-29.3	177	-66.9	-61	-35	0	0	114.7	E376 K386	E376-Q382 PolarHBondContact OE1-NE2 2.76Å; Q382-K386 VanDerWaalsContact O-CG 3.28Å; Q382-K386 WeakPolarHBondContact O-CG 3.33Å; Q382-K386 PolarHBondContact O-N 2.93Å
383	T	97.9	Very high	98.2	Very high	72 Å²	72	41.3 Å²	41.3	44%	0.442	23%	0.233	S	C	.	.	H	α-helix	trans	-72.8	-40.3	176.5	54.9	0	0	0	0	112.2	S381 I385 K386 F387 Y804	S381-T383 PolarHBondContact O-N 2.93Å; S381-T383 VanDerWaalsContact O-N 3.11Å; S381-T383 PolarHBondContact OG-OG1 3.08Å; S381-T383 VanDerWaalsContact OG-OG1 3.08Å; T383-I385 VanDerWaalsContact C-N 3.34Å; T383-K386 PolarHBondContact O-N 3.47Å; T383-F387 PolarHBondContact O-N 3.35Å; T383-Y804 WeakPolarHBondContact CB-OH 3.46Å; T383-Y804 PolarHBondContact OG1-OH 3.25Å
384	H	98.6	Very high	98.2	Very high	36 Å²	36	41.8 Å²	41.8	17%	0.167	24%	0.235	C	C	.	.	H	α-helix	trans	-60.8	-42.6	170.5	-73.1	95.3	0	0	0	111.6	F380 S381 K386 F387 A388 Y804 M841	F380-H384 HydrophobicContact CB-CB 4.13Å; F380-H384 HydrophobicContact CD1-CB 4.03Å; S381-H384 WeakPolarHBondContact O-CB 3.15Å; S381-H384 PolarHBondContact O-N 3.35Å; S381-H384 VanDerWaalsContact O-N 3.07Å; S381-H384 PolarHBondContact OG-N 2.97Å; S381-H384 PolarHBondContact OG-ND1 3.28Å; H384-K386 PolarHBondContact O-N 3.11Å; H384-F387 WeakPolarHBondContact O-CB 3.41Å; H384-F387 PolarHBondContact O-N 3.36Å; H384-A388 PolarHBondContact O-N 3.06Å; H384-Y804 AromaticContact CD2-CD1 3.83Å; H384-Y804 AromaticContact CD2-CD2 3.87Å; H384-Y804 AromaticContact CD2-CG 3.69Å; H384-Y804 AromaticContact CE1-CE1 3.78Å; H384-Y804 AromaticContact NE2-CD1 3.4Å; H384-Y804 WeakPolarHBondContact NE2-CD1 3.27Å; H384-Y804 AromaticContact NE2-CE1 3.63Å; H384-Y804 AromaticContact NE2-CG 3.77Å; H384-M841 HydrophobicContact CB-CE 3.91Å
385	I	98.7	Very high	98.2	Very high	3 Å²	3	41.2 Å²	41.2	2%	0.015	23%	0.229	C	C	.	.	H	α-helix	trans	-63.7	-41.2	176.4	-63.9	171.7	0	0	0	110.9	F369 L375 E376 F380 S381 T383 A388 K389	F369-I385 HydrophobicContact CE1-CG2 4.28Å; L375-I385 HydrophobicContact CB-CG1 3.98Å; E376-I385 HydrophobicContact CB-CD1 3.95Å; F380-I385 HydrophobicContact CB-CG1 4.25Å; S381-I385 PolarHBondContact O-N 3.14Å; T383-I385 VanDerWaalsContact C-N 3.34Å; I385-A388 PolarHBondContact O-N 3.34Å; I385-K389 HydrophobicContact CG2-CD 4.06Å; I385-K389 HydrophobicContact CG2-CG 4.47Å; I385-K389 WeakPolarHBondContact O-CB 3.45Å; I385-K389 WeakPolarHBondContact O-CG 3.49Å; I385-K389 PolarHBondContact O-N 3.06Å
386	K	98.4	Very high	98.2	Very high	143 Å²	143	41.4 Å²	41.4	62%	0.622	23%	0.23	S	C	*	.	H	α-helix	trans	-61	-43.2	173.9	-76.4	173.2	-177.5	-179.1	0	112.2	Q382 T383 H384 K389 A390	Q382-K386 VanDerWaalsContact O-CG 3.28Å; Q382-K386 WeakPolarHBondContact O-CG 3.33Å; Q382-K386 PolarHBondContact O-N 2.93Å; T383-K386 PolarHBondContact O-N 3.47Å; H384-K386 PolarHBondContact O-N 3.11Å; K386-K389 PolarHBondContact O-N 2.88Å; K386-A390 WeakPolarHBondContact O-CB 3.49Å; K386-A390 PolarHBondContact O-N 3.24Å
387	F	98.7	Very high	98.2	Very high	1 Å²	1	36 Å²	36	0%	0.004	21%	0.205	C	C	.	.	H	α-helix	trans	-57.8	-49.3	173.2	155.2	-104.2	0	0	0	111.5	T383 H384 K389 A390 A391 V803 Y804 F807 I813 T837 M841	T383-F387 PolarHBondContact O-N 3.35Å; H384-F387 WeakPolarHBondContact O-CB 3.41Å; H384-F387 PolarHBondContact O-N 3.36Å; F387-K389 PolarHBondContact O-N 2.95Å; F387-A390 PolarHBondContact O-N 2.9Å; F387-A390 VanDerWaalsContact O-N 3.15Å; F387-A391 PolarHBondContact O-N 2.82Å; F387-V803 HydrophobicContact CE2-CG1 3.95Å; F387-V803 HydrophobicContact CZ-CB 4.47Å; F387-V803 HydrophobicContact CZ-CG1 3.63Å; F387-Y804 HydrophobicContact CB-CD2 3.69Å; F387-Y804 HydrophobicContact CB-CE2 4.05Å; F387-Y804 HydrophobicContact CD1-CD2 4.09Å; F387-Y804 AromaticContact CG-CD2 3.84Å; F387-Y804 HydrophobicContact CG-CD2 3.84Å; F387-F807 HydrophobicContact CB-CD1 3.96Å; F387-F807 HydrophobicContact CB-CE1 4.08Å; F387-F807 HydrophobicContact CD2-CB 3.78Å; F387-F807 AromaticContact CD2-CD1 3.59Å; F387-F807 HydrophobicContact CD2-CD1 3.59Å; F387-F807 HydrophobicContact CD2-CD2 4.2Å; F387-F807 HydrophobicContact CD2-CE1 4.2Å; F387-F807 AromaticContact CD2-CG 3.58Å; F387-F807 HydrophobicContact CD2-CG 3.58Å; F387-F807 HydrophobicContact CE2-CB 4.01Å; F387-F807 HydrophobicContact CE2-CG 4.18Å; F387-F807 HydrophobicContact CG-CD1 4.22Å; F387-I813 HydrophobicContact CD2-CD1 4.43Å; F387-I813 HydrophobicContact CE2-CD1 3.69Å; F387-I813 HydrophobicContact CE2-CG1 4.01Å; F387-I813 HydrophobicContact CZ-CD1 4.43Å; F387-T837 HydrophobicContact CE1-CG2 3.93Å; F387-T837 HydrophobicContact CZ-CG2 3.98Å; F387-M841 HydrophobicContact CD1-CE 4.44Å; F387-M841 HydrophobicContact CD1-SD 3.96Å; F387-M841 HydrophobicContact CE1-SD 3.74Å
388	A	98.8	Very high	98.3	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-64.4	-39.6	-178.4	0	0	0	0	0	112.4	F369 L375 H384 I385 A391 L392 V838 M841	F369-A388 HydrophobicContact CZ-CB 3.73Å; L375-A388 HydrophobicContact CD1-CB 3.5Å; L375-A388 VanDerWaalsContact CD1-CB 3.5Å; H384-A388 PolarHBondContact O-N 3.06Å; I385-A388 PolarHBondContact O-N 3.34Å; A388-A391 PolarHBondContact O-N 2.7Å; A388-L392 PolarHBondContact O-N 3.36Å; A388-L392 VanDerWaalsContact O-N 3.12Å; A388-V838 HydrophobicContact CB-CG1 4.44Å; A388-V838 HydrophobicContact CB-CG2 4.07Å; A388-M841 HydrophobicContact CB-CE 4.17Å; A388-M841 HydrophobicContact CB-SD 4.06Å
389	K	98.9	Very high	98.4	Very high	30 Å²	30	27.1 Å²	27.1	13%	0.13	15%	0.154	C	C	.	.	H	α-helix	trans	-60.9	-44.2	171.9	-74.1	173.4	179.8	173.7	0	111.6	F365 N366 F369 I385 K386 F387 S393	F365-K389 HydrophobicContact CE1-CB 4.03Å; F365-K389 HydrophobicContact CE1-CD 4.03Å; F365-K389 HydrophobicContact CE1-CG 3.82Å; F365-K389 HydrophobicContact CZ-CB 4.37Å; F365-K389 HydrophobicContact CZ-CG 4.39Å; N366-K389 WeakPolarHBondContact OD1-CE 3.15Å; N366-K389 PolarHBondContact OD1-NZ 2.92Å; F369-K389 HydrophobicContact CD1-CD 4.38Å; F369-K389 HydrophobicContact CD1-CG 3.84Å; F369-K389 HydrophobicContact CD2-CG 3.8Å; F369-K389 HydrophobicContact CE1-CG 3.86Å; F369-K389 HydrophobicContact CE2-CB 4.46Å; F369-K389 HydrophobicContact CE2-CG 3.81Å; F369-K389 HydrophobicContact CG-CG 3.82Å; F369-K389 HydrophobicContact CZ-CG 3.85Å; I385-K389 HydrophobicContact CG2-CD 4.06Å; I385-K389 HydrophobicContact CG2-CG 4.47Å; I385-K389 WeakPolarHBondContact O-CB 3.45Å; I385-K389 WeakPolarHBondContact O-CG 3.49Å; I385-K389 PolarHBondContact O-N 3.06Å; K386-K389 PolarHBondContact O-N 2.88Å; F387-K389 PolarHBondContact O-N 2.95Å; K389-S393 WeakPolarHBondContact O-CB 3.3Å; K389-S393 PolarHBondContact O-N 3.32Å; K389-S393 PolarHBondContact O-OG 3Å
390	A	98.7	Very high	98.4	Very high	2 Å²	2	23.9 Å²	23.9	2%	0.017	12%	0.121	C	C	.	.	H	α-helix	trans	-65.4	-38.8	177.1	0	0	0	0	0	112.3	W146 K386 F387 S393 N394 F807	W146-A390 WeakPolarHBondContact O-CA 3.49Å; K386-A390 WeakPolarHBondContact O-CB 3.49Å; K386-A390 PolarHBondContact O-N 3.24Å; F387-A390 PolarHBondContact O-N 2.9Å; F387-A390 VanDerWaalsContact O-N 3.15Å; A390-S393 PolarHBondContact O-N 3.11Å; A390-N394 WeakPolarHBondContact O-CB 3.45Å; A390-N394 PolarHBondContact O-N 2.97Å; A390-N394 PolarHBondContact O-ND2 2.91Å; A390-F807 HydrophobicContact CB-CE2 4.47Å; A390-F807 HydrophobicContact CB-CZ 4.02Å
391	A	98.8	Very high	98.4	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-61.2	-51.7	176.9	0	0	0	0	0	111.9	F387 A388 S393 N394 M395 I813 S835 V838	F387-A391 PolarHBondContact O-N 2.82Å; A388-A391 PolarHBondContact O-N 2.7Å; A391-S393 VanDerWaalsContact C-N 3.35Å; A391-S393 PolarHBondContact O-N 3.43Å; A391-N394 PolarHBondContact O-N 3.45Å; A391-M395 PolarHBondContact O-N 2.89Å; A391-I813 HydrophobicContact CB-CD1 3.58Å; A391-S835 PolarHBondContact O-OG 3.22Å; A391-V838 HydrophobicContact CB-CG2 3.67Å
392	L	98.9	Very high	98.3	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-59.6	-45.7	174.5	174.2	65.6	0	0	0	111.6	F369 F373 A388 N394 M395 L396 L448 L449 W452	F369-L392 HydrophobicContact CD2-CD2 3.82Å; F369-L392 HydrophobicContact CE2-CB 4.47Å; F369-L392 HydrophobicContact CE2-CD2 3.99Å; F373-L392 HydrophobicContact CE2-CD2 3.82Å; F373-L392 HydrophobicContact CZ-CD2 4.32Å; A388-L392 PolarHBondContact O-N 3.36Å; A388-L392 VanDerWaalsContact O-N 3.12Å; L392-N394 VanDerWaalsContact C-N 3.34Å; L392-N394 PolarHBondContact O-N 3.42Å; L392-M395 PolarHBondContact O-N 3.09Å; L392-L396 HydrophobicContact CD1-CD1 3.95Å; L392-L396 HydrophobicContact CD1-CG 4.29Å; L392-L396 HydrophobicContact CD2-CD1 4.44Å; L392-L396 HydrophobicContact CG-CD1 3.85Å; L392-L396 PolarHBondContact O-N 3.08Å; L392-L448 HydrophobicContact CD1-CD1 4.34Å; L392-L448 HydrophobicContact CD1-CD2 4.13Å; L392-L448 HydrophobicContact CD1-CG 3.96Å; L392-L449 HydrophobicContact CD1-CD2 4.41Å; L392-W452 HydrophobicContact CD1-CB 4.33Å; L392-W452 HydrophobicContact CD2-CD2 4.03Å; L392-W452 HydrophobicContact CD2-CE3 3.72Å; L392-W452 HydrophobicContact CD2-CG 4.48Å; L392-W452 HydrophobicContact CD2-CZ3 4.12Å
393	S	98.8	Very high	98.2	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-65	-37.4	-176.8	-61.2	0	0	0	0	112.3	L147 M148 H149 K389 A390 A391 G397	L147-S393 PolarHBondContact O-OG 2.92Å; M148-S393 WeakPolarHBondContact CA-OG 3.43Å; H149-S393 WeakPolarHBondContact CB-O 3.32Å; H149-S393 VanDerWaalsContact N-CB 3.34Å; H149-S393 PolarHBondContact N-OG 2.9Å; K389-S393 WeakPolarHBondContact O-CB 3.3Å; K389-S393 PolarHBondContact O-N 3.32Å; K389-S393 PolarHBondContact O-OG 3Å; A390-S393 PolarHBondContact O-N 3.11Å; A391-S393 VanDerWaalsContact C-N 3.35Å; A391-S393 PolarHBondContact O-N 3.43Å; S393-G397 PolarHBondContact O-N 3.36Å
394	N	98.4	Very high	98.1	Very high	10 Å²	10	17.7 Å²	17.7	5%	0.053	8%	0.081	C	C	.	.	H	α-helix	trans	-70.6	-34.1	175.6	-82.1	-73.1	0	0	0	112.5	G145 W146 A390 A391 L392 G398 T831	G145-N394 WeakPolarHBondContact CA-OD1 2.68Å; W146-N394 PolarHBondContact N-ND2 2.68Å; W146-N394 PolarHBondContact N-OD1 2.91Å; W146-N394 PolarHBondContact O-ND2 2.87Å; A390-N394 WeakPolarHBondContact O-CB 3.45Å; A390-N394 PolarHBondContact O-N 2.97Å; A390-N394 PolarHBondContact O-ND2 2.91Å; A391-N394 PolarHBondContact O-N 3.45Å; L392-N394 VanDerWaalsContact C-N 3.34Å; L392-N394 PolarHBondContact O-N 3.42Å; N394-G398 PolarHBondContact O-N 2.92Å; N394-T831 HydrophobicContact CB-CG2 3.32Å; N394-T831 WeakPolarHBondContact CB-OG1 3.25Å
395	M	98.5	Very high	97.9	Very high	4 Å²	4	19.7 Å²	19.7	2%	0.02	9%	0.09	C	C	.	.	H	α-helix	trans	-64.7	-47.8	172.3	-171.2	-179.3	-83.7	0	0	111	A391 L392 G398 M399 H445 L448 L449 T831 G832	A391-M395 PolarHBondContact O-N 2.89Å; L392-M395 PolarHBondContact O-N 3.09Å; M395-G398 PolarHBondContact O-N 2.91Å; M395-G398 VanDerWaalsContact O-N 3.14Å; M395-M399 PolarHBondContact O-N 2.84Å; M395-H445 HydrophobicContact CE-CB 4.38Å; M395-H445 HydrophobicContact SD-CB 4.27Å; M395-L448 HydrophobicContact CE-CD2 4.19Å; M395-L448 HydrophobicContact SD-CB 4.1Å; M395-L448 HydrophobicContact SD-CD2 3.98Å; M395-L448 HydrophobicContact SD-CG 4.34Å; M395-L449 HydrophobicContact CB-CD2 4.44Å; M395-L449 HydrophobicContact CG-CD1 4.11Å; M395-L449 HydrophobicContact CG-CD2 3.92Å; M395-L449 HydrophobicContact CG-CG 4.11Å; M395-L449 HydrophobicContact SD-CD1 4.02Å; M395-L449 HydrophobicContact SD-CD2 3.77Å; M395-L449 HydrophobicContact SD-CG 3.57Å; M395-L449 VanDerWaalsContact SD-CG 3.57Å; M395-T831 WeakPolarHBondContact CB-O 3.16Å; M395-T831 VanDerWaalsContact CE-O 3.26Å; M395-T831 WeakPolarHBondContact CE-O 3.46Å; M395-G832 WeakPolarHBondContact CE-O 3.26Å
396	L	98.6	Very high	97.7	Very high	3 Å²	3	19.6 Å²	19.6	2%	0.016	9%	0.09	C	C	.	.	H	α-helix	trans	-62.4	-44.6	176.2	-74.4	166.3	0	0	0	112.2	H149 L392 G398 M399 L449 W452 L456	H149-L396 WeakPolarHBondContact O-CD1 3.48Å; L392-L396 HydrophobicContact CD1-CD1 3.95Å; L392-L396 HydrophobicContact CD1-CG 4.29Å; L392-L396 HydrophobicContact CD2-CD1 4.44Å; L392-L396 HydrophobicContact CG-CD1 3.85Å; L392-L396 PolarHBondContact O-N 3.08Å; L396-G398 PolarHBondContact O-N 2.98Å; L396-M399 WeakPolarHBondContact O-CB 3.44Å; L396-M399 VanDerWaalsContact O-CG 3.25Å; L396-M399 WeakPolarHBondContact O-CG 3.29Å; L396-M399 PolarHBondContact O-N 2.87Å; L396-L449 HydrophobicContact CD2-CD2 3.56Å; L396-L449 HydrophobicContact CG-CD2 3.82Å; L396-W452 HydrophobicContact CD1-CG 4.26Å; L396-L456 HydrophobicContact CD2-CD1 4.44Å
397	G	97.7	Very high	97.6	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.01	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-5.9	176.3	0	0	0	0	0	114.1	W146 S393	W146-G397 PolarHBondContact NE1-O 2.89Å; S393-G397 PolarHBondContact O-N 3.36Å
398	G	97.3	Very high	97.5	Very high	2 Å²	2	14.1 Å²	14.1	2%	0.021	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-6.8	170.3	0	0	0	0	0	113.4	P100 N394 M395 L396 G400 V428	P100-G398 WeakPolarHBondContact CB-O 3.34Å; N394-G398 PolarHBondContact O-N 2.92Å; M395-G398 PolarHBondContact O-N 2.91Å; M395-G398 VanDerWaalsContact O-N 3.14Å; L396-G398 PolarHBondContact O-N 2.98Å; G398-G400 PolarHBondContact O-N 3.23Å; G398-V428 WeakPolarHBondContact O-CG2 3.47Å
399	M	98.2	Very high	97.3	Very high	4 Å²	4	15.3 Å²	15.3	2%	0.02	7%	0.074	C	C	.	.			trans	-58.6	127.1	173	-67	-65.5	-60.6	0	0	110.1	Y98 M395 L396 F425 T426 A427 L449 L456	Y98-M399 WeakPolarHBondContact CA-O 3.34Å; M395-M399 PolarHBondContact O-N 2.84Å; L396-M399 WeakPolarHBondContact O-CB 3.44Å; L396-M399 VanDerWaalsContact O-CG 3.25Å; L396-M399 WeakPolarHBondContact O-CG 3.29Å; L396-M399 PolarHBondContact O-N 2.87Å; M399-F425 HydrophobicContact CB-CE2 4.16Å; M399-F425 HydrophobicContact CB-CZ 4.32Å; M399-F425 HydrophobicContact CE-CD1 4.02Å; M399-F425 HydrophobicContact CE-CD2 4.38Å; M399-F425 HydrophobicContact CE-CE1 3.61Å; M399-F425 HydrophobicContact CE-CE2 3.99Å; M399-F425 HydrophobicContact CE-CG 4.39Å; M399-F425 HydrophobicContact CE-CZ 3.59Å; M399-T426 WeakPolarHBondContact CA-O 3.35Å; M399-A427 VanDerWaalsContact SD-CA 3.56Å; M399-A427 HydrophobicContact SD-CB 3.61Å; M399-A427 PolarHBondContact SD-N 2.87Å; M399-A427 VanDerWaalsContact SD-N 3.36Å; M399-L449 HydrophobicContact SD-CD1 3.8Å; M399-L456 HydrophobicContact CE-CD1 4.23Å; M399-L456 HydrophobicContact CE-CD2 3.92Å; M399-L456 HydrophobicContact CE-CG 4.15Å; M399-L456 HydrophobicContact CG-CD1 4.4Å; M399-L456 HydrophobicContact SD-CD2 4.14Å
400	G	97.9	Very high	97.1	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	156.5	179.7	0	0	0	0	0	112.7	G398 F425 T426	G398-G400 PolarHBondContact O-N 3.23Å; G400-F425 WeakPolarHBondContact O-CA 3.15Å; G400-F425 VanDerWaalsContact O-CD2 3.3Å; G400-F425 WeakPolarHBondContact O-CD2 3.4Å; G400-T426 PolarHBondContact N-O 3.16Å; G400-T426 PolarHBondContact O-N 3.34Å; G400-T426 VanDerWaalsContact O-N 3.14Å
401	Y	97.8	Very high	96.8	Very high	4 Å²	4	18.8 Å²	18.8	2%	0.016	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	113.4	170	-176.8	-83.8	0	0	0	109.5	T85 Y98 K107 R109 S110 T423 L424 F425	T85-Y401 HydrophobicContact CG2-CE2 4.01Å; Y98-Y401 PolarHBondContact O-N 3.28Å; Y98-Y401 VanDerWaalsContact O-N 3.15Å; K107-Y401 PolarHBondContact NZ-O 3.05Å; R109-Y401 VanDerWaalsContact C-CE1 3.5Å; R109-Y401 HydrophobicContact CB-CD2 3.53Å; R109-Y401 HydrophobicContact CB-CE2 3.58Å; R109-Y401 HydrophobicContact CB-CG 4.08Å; R109-Y401 HydrophobicContact CG-CD2 3.77Å; R109-Y401 HydrophobicContact CG-CE2 4.31Å; R109-Y401 HydrophobicContact CG-CG 4.2Å; R109-Y401 PolarHBondContact O-OH 2.77Å; S110-Y401 VanDerWaalsContact O-CE1 3.28Å; S110-Y401 WeakPolarHBondContact O-CE1 3.38Å; Y401-T423 HydrophobicContact CD2-CG2 4.13Å; Y401-T423 HydrophobicContact CE1-CG2 4.02Å; Y401-T423 HydrophobicContact CE2-CG2 3.24Å; Y401-T423 WeakPolarHBondContact OH-CG2 3.39Å; Y401-L424 WeakPolarHBondContact CA-O 3.31Å; Y401-F425 HydrophobicContact CD2-CB 4.31Å; Y401-F425 HydrophobicContact CD2-CD2 4.48Å
402	F	97.5	Very high	96.5	Very high	14 Å²	14	23.6 Å²	23.6	6%	0.061	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	144.2	-174	-49.5	-85.6	0	0	0	110.6	P100 T423 L424 T426 V428 P435 L480	P100-F402 HydrophobicContact CG-CZ 3.9Å; F402-T423 WeakPolarHBondContact O-CA 3.08Å; F402-L424 HydrophobicContact CB-CB 4.41Å; F402-L424 PolarHBondContact N-O 3.17Å; F402-L424 PolarHBondContact O-N 3.09Å; F402-T426 HydrophobicContact CD2-CG2 4.02Å; F402-T426 HydrophobicContact CE2-CG2 3.72Å; F402-V428 HydrophobicContact CE2-CG1 4.17Å; F402-V428 HydrophobicContact CZ-CG1 3.87Å; F402-P435 VanDerWaalsContact CE1-O 3.32Å; F402-P435 WeakPolarHBondContact CE1-O 3.46Å; F402-P435 WeakPolarHBondContact CZ-O 3.24Å; F402-L480 HydrophobicContact CB-CB 4Å; F402-L480 HydrophobicContact CB-CD1 4.26Å
403	Y	95.9	Very high	96.1	Very high	104 Å²	104	24.6 Å²	24.6	41%	0.408	12%	0.121	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	138.5	174.4	179.2	-100.3	0	0	0	109.7	P111 G422 T423	P111-Y403 HydrophobicContact CB-CD1 3.41Å; P111-Y403 VanDerWaalsContact CB-CD1 3.41Å; P111-Y403 HydrophobicContact CB-CD2 3.62Å; P111-Y403 HydrophobicContact CB-CE1 3.56Å; P111-Y403 HydrophobicContact CB-CE2 3.74Å; P111-Y403 HydrophobicContact CB-CG 3.43Å; P111-Y403 VanDerWaalsContact CB-CG 3.43Å; Y403-G422 WeakPolarHBondContact CA-O 3.34Å; Y403-G422 VanDerWaalsContact CD2-O 3.28Å; Y403-G422 WeakPolarHBondContact CD2-O 3.35Å; Y403-T423 WeakPolarHBondContact CD2-OG1 3.44Å
404	G	95	Very high	95.7	Very high	11 Å²	11	31.2 Å²	31.2	11%	0.113	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	151.4	-164.2	175.8	0	0	0	0	0	112.5	G421 G422	G404-G421 WeakPolarHBondContact O-CA 3.49Å; G404-G422 PolarHBondContact N-O 3.18Å; G404-G422 VanDerWaalsContact N-O 3.16Å; G404-G422 PolarHBondContact O-N 2.71Å
405	E	94.7	Very high	95.4	Very high	77 Å²	77	38.2 Å²	38.2	36%	0.36	18%	0.179	S	C	.	.			trans	-110.4	129.6	-175.3	-60.9	172.3	125	0	0	110.1	L418 Y419 R485	E405-L418 HydrophobicContact CB-CD2 4.43Å; E405-Y419 VanDerWaalsContact CB-O 3.28Å; E405-Y419 WeakPolarHBondContact CB-O 3.34Å; E405-Y419 WeakPolarHBondContact CG-O 3.38Å; E405-R485 PolarHBondContact O-NH2 3.27Å
406	S	94.8	Very high	95.2	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.014	20%	0.197	C	C	.	.			trans	-75.2	157.3	167.1	-55.9	0	0	0	0	110.8	Y419 L480	S406-Y419 WeakPolarHBondContact O-CB 3.28Å; S406-Y419 PolarHBondContact O-N 3.12Å; S406-L480 VanDerWaalsContact OG-CD2 3.24Å; S406-L480 WeakPolarHBondContact OG-CD2 3.38Å
407	V	96.4	Very high	95.1	Very high	28 Å²	28	43.4 Å²	43.4	17%	0.17	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	120.7	170.9	-175.2	0	0	0	0	108.3	P416 L417 L418 I493 V494 Q495	V407-P416 HydrophobicContact CG1-CB 3.53Å; V407-L417 WeakPolarHBondContact CA-O 3.44Å; V407-L418 HydrophobicContact CG2-CD2 4.25Å; V407-I493 HydrophobicContact CB-CG2 3.94Å; V407-I493 HydrophobicContact CG2-CG2 3.78Å; V407-V494 HydrophobicContact CG1-CG2 3.99Å; V407-Q495 PolarHBondContact O-N 3.18Å
408	V	96.2	Very high	94.9	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	152.9	-172.5	-57.7	0	0	0	0	112	V70 V71 P416 L417 Y419 W473 Q495	V70-V408 HydrophobicContact CG1-CG2 4.47Å; V70-V408 HydrophobicContact CG2-CB 4.22Å; V70-V408 HydrophobicContact CG2-CG2 4Å; V71-V408 HydrophobicContact CG1-CG2 3.62Å; V408-P416 CarbonylContact O-C 3.51Å; V408-P416 WeakPolarHBondContact O-CA 3.26Å; V408-L417 HydrophobicContact CG2-CB 4.39Å; V408-L417 PolarHBondContact N-O 2.98Å; V408-L417 PolarHBondContact O-N 2.82Å; V408-Y419 HydrophobicContact CG1-CD2 3.88Å; V408-Y419 HydrophobicContact CG1-CG 4.29Å; V408-Y419 HydrophobicContact CG2-CD2 4.03Å; V408-W473 HydrophobicContact CB-CH2 4.27Å; V408-W473 HydrophobicContact CB-CZ3 4.35Å; V408-W473 HydrophobicContact CG1-CH2 3.8Å; V408-W473 HydrophobicContact CG1-CZ3 3.9Å; V408-Q495 CarbonylContact C-O 3.57Å; V408-Q495 VanDerWaalsContact CA-O 3.27Å; V408-Q495 WeakPolarHBondContact CA-O 3.32Å; V408-Q495 HydrophobicContact CG1-CB 4.43Å
409	Q	95.3	Very high	94.7	Very high	26 Å²	26	48.1 Å²	48.1	12%	0.121	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	131.3	174.2	-169.4	179.7	18	0	0	110.8	N413 E414 V494 Q495 R496	Q409-N413 HydrophobicContact CG-CB 4.48Å; Q409-N413 PolarHBondContact NE2-O 3.03Å; Q409-N413 VanDerWaalsContact NE2-O 3.08Å; Q409-E414 PolarHBondContact NE2-O 3.2Å; Q409-V494 HydrophobicContact CB-CG1 3.74Å; Q409-Q495 PolarHBondContact N-O 3.08Å; Q409-R496 WeakPolarHBondContact O-CA 3.13Å; Q409-R496 VanDerWaalsContact OE1-NH1 3.09Å
410	S	94.2	Very high	94.5	Very high	4 Å²	4	50.1 Å²	50.1	3%	0.028	25%	0.247	C	C	.	.			trans	-104	170.7	169.3	85.6	0	0	0	0	112.1	Y412 N413 N497	S410-Y412 PolarHBondContact O-N 2.98Å; S410-Y412 VanDerWaalsContact O-N 3.15Å; S410-Y412 PolarHBondContact OG-N 3.42Å; S410-N413 WeakPolarHBondContact CB-OD1 3.25Å; S410-N413 PolarHBondContact O-N 3.4Å; S410-N413 VanDerWaalsContact O-N 3.15Å; S410-N413 PolarHBondContact OG-OD1 3.19Å; S410-N497 VanDerWaalsContact CA-OD1 3.22Å; S410-N497 WeakPolarHBondContact CA-OD1 3.31Å; S410-N497 WeakPolarHBondContact CB-OD1 3.31Å
411	V	91.6	Very high	94.2	Very high	101 Å²	101	51.9 Å²	51.9	61%	0.612	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-16.8	172.4	-59.1	0	0	0	0	113.5
412	Y	92.3	Very high	94	Very high	100 Å²	100	52.2 Å²	52.2	39%	0.392	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-5.9	179.8	-56.1	-69	0	0	0	113.2	L66 S410	L66-Y412 HydrophobicContact CB-CD1 4.09Å; L66-Y412 HydrophobicContact CB-CD2 3.74Å; L66-Y412 HydrophobicContact CB-CE1 4.27Å; L66-Y412 HydrophobicContact CB-CE2 3.92Å; L66-Y412 HydrophobicContact CB-CG 3.81Å; L66-Y412 HydrophobicContact CD1-CD1 4.22Å; L66-Y412 HydrophobicContact CD1-CE1 3.73Å; L66-Y412 HydrophobicContact CD1-CE2 4.36Å; L66-Y412 HydrophobicContact CD2-CE2 4.18Å; L66-Y412 HydrophobicContact CG-CE2 4.38Å; S410-Y412 PolarHBondContact O-N 2.98Å; S410-Y412 VanDerWaalsContact O-N 3.15Å; S410-Y412 PolarHBondContact OG-N 3.42Å
413	N	91.5	Very high	93.9	Very high	21 Å²	21	52.5 Å²	52.5	11%	0.112	27%	0.273	C	S	.	.			trans	-113.8	126.1	-179.3	-53.6	97.9	0	0	0	110.9	S67 V70 Q409 S410 L417	S67-N413 WeakPolarHBondContact CB-ND2 3.27Å; S67-N413 PolarHBondContact O-ND2 3.39Å; S67-N413 VanDerWaalsContact O-ND2 3.07Å; S67-N413 PolarHBondContact O-OD1 3Å; V70-N413 WeakPolarHBondContact CG1-OD1 3.49Å; Q409-N413 HydrophobicContact CG-CB 4.48Å; Q409-N413 PolarHBondContact NE2-O 3.03Å; Q409-N413 VanDerWaalsContact NE2-O 3.08Å; S410-N413 WeakPolarHBondContact CB-OD1 3.25Å; S410-N413 PolarHBondContact O-N 3.4Å; S410-N413 VanDerWaalsContact O-N 3.15Å; S410-N413 PolarHBondContact OG-OD1 3.19Å; N413-L417 VanDerWaalsContact ND2-CD1 3.26Å; N413-L417 WeakPolarHBondContact ND2-CD1 3.3Å
414	E	90.1	Very high	94	Very high	139 Å²	139	47.5 Å²	47.5	65%	0.65	25%	0.253	S	S	*	.	S	Bend	trans	-70.1	-37.9	175.9	-171.1	-179.3	158.3	0	0	112.1	Q409	Q409-E414 PolarHBondContact NE2-O 3.2Å
415	Y	92.6	Very high	94.2	Very high	158 Å²	158	47 Å²	47	62%	0.62	25%	0.248	S	C	*	.	S	Bend	trans	-115.7	153.2	-179.4	-56.5	-80.6	0	0	0	111.1
416	P	94.8	Very high	94.4	Very high	60 Å²	60	43.4 Å²	43.4	39%	0.39	23%	0.231	S	C	.	.			trans	-59.3	146.4	171.8	-21	32.5	0	0	0	112.3	V407 V408 V494	V407-P416 HydrophobicContact CG1-CB 3.53Å; V408-P416 CarbonylContact O-C 3.51Å; V408-P416 WeakPolarHBondContact O-CA 3.26Å; P416-V494 HydrophobicContact CB-CG1 4.2Å; P416-V494 HydrophobicContact CB-CG2 4.19Å; P416-V494 HydrophobicContact CG-CG1 4.15Å; P416-V494 HydrophobicContact CG-CG2 3.88Å
417	L	95.1	Very high	94.5	Very high	56 Å²	56	43.3 Å²	43.3	29%	0.293	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	155.3	177.5	-60.8	-176.8	0	0	0	110.7	V70 V71 V407 V408 N413	V70-L417 HydrophobicContact CG1-CD1 4.3Å; V71-L417 HydrophobicContact CG1-CB 3.82Å; V71-L417 HydrophobicContact CG1-CD1 3.99Å; V71-L417 HydrophobicContact CG2-CD1 4.3Å; V407-L417 WeakPolarHBondContact CA-O 3.44Å; V408-L417 HydrophobicContact CG2-CB 4.39Å; V408-L417 PolarHBondContact N-O 2.98Å; V408-L417 PolarHBondContact O-N 2.82Å; N413-L417 VanDerWaalsContact ND2-CD1 3.26Å; N413-L417 WeakPolarHBondContact ND2-CD1 3.3Å
418	L	94.6	Very high	94.6	Very high	97 Å²	97	42.2 Å²	42.2	51%	0.508	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	126.3	167.1	-65	175.8	0	0	0	109.7	V71 E405 V407	V71-L418 WeakPolarHBondContact CG1-O 3.43Å; E405-L418 HydrophobicContact CB-CD2 4.43Å; V407-L418 HydrophobicContact CG2-CD2 4.25Å
419	Y	93.3	Very high	94.7	Very high	4 Å²	4	42.3 Å²	42.3	2%	0.016	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-74.1	148.8	171.1	-159.3	-101.5	0	0	0	109.9	V70 V71 L73 E405 S406 V408 G421 L467 N469	V70-Y419 WeakPolarHBondContact O-CD2 3.27Å; V70-Y419 WeakPolarHBondContact O-CE2 3.28Å; V71-Y419 HydrophobicContact CG1-CD2 4.42Å; L73-Y419 HydrophobicContact CD2-CE1 3.57Å; E405-Y419 VanDerWaalsContact CB-O 3.28Å; E405-Y419 WeakPolarHBondContact CB-O 3.34Å; E405-Y419 WeakPolarHBondContact CG-O 3.38Å; S406-Y419 WeakPolarHBondContact O-CB 3.28Å; S406-Y419 PolarHBondContact O-N 3.12Å; V408-Y419 HydrophobicContact CG1-CD2 3.88Å; V408-Y419 HydrophobicContact CG1-CG 4.29Å; V408-Y419 HydrophobicContact CG2-CD2 4.03Å; Y419-G421 PolarHBondContact O-N 2.93Å; Y419-L467 WeakPolarHBondContact CE1-O 3.41Å; Y419-L467 PolarHBondContact OH-O 2.91Å; Y419-N469 HydrophobicContact CE2-CB 4.08Å; Y419-N469 VanDerWaalsContact OH-CA 3.28Å; Y419-N469 WeakPolarHBondContact OH-CA 3.37Å; Y419-N469 VanDerWaalsContact OH-CB 3.26Å; Y419-N469 WeakPolarHBondContact OH-CB 3.3Å; Y419-N469 PolarHBondContact OH-N 3.45Å; Y419-N469 VanDerWaalsContact OH-N 3.08Å
420	P	92.8	Very high	94.8	Very high	46 Å²	46	41 Å²	41	30%	0.299	22%	0.218	S	C	.	.	P	Polyproline II helix	trans	-53.2	139.2	176.2	-27.7	36.2	0	0	0	112.3	V71 L73 G422	V71-P420 WeakPolarHBondContact O-CD 3.34Å; V71-P420 WeakPolarHBondContact O-CG 3.46Å; L73-P420 HydrophobicContact CD1-CB 4.21Å; L73-P420 HydrophobicContact CG-CB 4.24Å; L73-P420 HydrophobicContact CG-CG 4.21Å; P420-G422 PolarHBondContact O-N 2.98Å
421	G	91.9	Very high	94.9	Very high	37 Å²	37	41.1 Å²	41.1	38%	0.381	22%	0.218	S	C	.	.	P	Polyproline II helix	trans	-53.8	126	178.6	0	0	0	0	0	112	G404 Y419	G404-G421 WeakPolarHBondContact O-CA 3.49Å; Y419-G421 PolarHBondContact O-N 2.93Å
422	G	93.9	Very high	95	Very high	11 Å²	11	36.7 Å²	36.7	11%	0.113	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	161.4	-173.5	0	0	0	0	0	112.6	Y403 G404 P420	Y403-G422 WeakPolarHBondContact CA-O 3.34Å; Y403-G422 VanDerWaalsContact CD2-O 3.28Å; Y403-G422 WeakPolarHBondContact CD2-O 3.35Å; G404-G422 PolarHBondContact N-O 3.18Å; G404-G422 VanDerWaalsContact N-O 3.16Å; G404-G422 PolarHBondContact O-N 2.71Å; P420-G422 PolarHBondContact O-N 2.98Å
423	T	95.7	Very high	94.8	Very high	20 Å²	20	37.5 Å²	37.5	12%	0.123	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	135.6	177.9	-59	0	0	0	0	110.5	Y401 F402 Y403 H463	Y401-T423 HydrophobicContact CD2-CG2 4.13Å; Y401-T423 HydrophobicContact CE1-CG2 4.02Å; Y401-T423 HydrophobicContact CE2-CG2 3.24Å; Y401-T423 WeakPolarHBondContact OH-CG2 3.39Å; F402-T423 WeakPolarHBondContact O-CA 3.08Å; Y403-T423 WeakPolarHBondContact CD2-OG1 3.44Å; T423-H463 WeakPolarHBondContact CG2-CE1 3.43Å; T423-H463 PolarHBondContact O-ND1 2.98Å
424	L	98.3	Very high	94.8	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	121.6	172.8	-172.7	58.9	0	0	0	111.5	Y401 F402 T426 H463 W464 L467 Q478 L480	Y401-L424 WeakPolarHBondContact CA-O 3.31Å; F402-L424 HydrophobicContact CB-CB 4.41Å; F402-L424 PolarHBondContact N-O 3.17Å; F402-L424 PolarHBondContact O-N 3.09Å; L424-T426 HydrophobicContact CD1-CG2 4.42Å; L424-T426 HydrophobicContact CD2-CG2 3.67Å; L424-T426 HydrophobicContact CG-CG2 3.64Å; L424-H463 HydrophobicContact CD1-CB 4.05Å; L424-W464 HydrophobicContact CD1-CD2 3.97Å; L424-W464 HydrophobicContact CD1-CG 3.94Å; L424-W464 HydrophobicContact CD2-CH2 4.48Å; L424-W464 HydrophobicContact CD2-CZ2 4.15Å; L424-L467 HydrophobicContact CB-CD1 4.13Å; L424-L467 HydrophobicContact CD1-CD1 4.01Å; L424-L467 HydrophobicContact CD2-CD1 4.47Å; L424-L467 HydrophobicContact CG-CD1 4.44Å; L424-Q478 HydrophobicContact CD2-CB 3.4Å; L424-Q478 HydrophobicContact CD2-CG 3.69Å; L424-L480 HydrophobicContact CB-CD1 3.6Å; L424-L480 HydrophobicContact CD2-CD1 4.4Å
425	F	98.3	Very high	95	Very high	1 Å²	1	31.5 Å²	31.5	0%	0.004	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	114	164.7	-178.9	-119.7	0	0	0	108.2	Y98 M399 G400 Y401 L456 E459 A460	Y98-F425 AromaticContact CD1-CE2 3.76Å; Y98-F425 HydrophobicContact CD1-CE2 3.76Å; Y98-F425 AromaticContact CE1-CE2 3.53Å; Y98-F425 HydrophobicContact CE1-CE2 3.53Å; Y98-F425 HydrophobicContact CE1-CZ 4.01Å; M399-F425 HydrophobicContact CB-CE2 4.16Å; M399-F425 HydrophobicContact CB-CZ 4.32Å; M399-F425 HydrophobicContact CE-CD1 4.02Å; M399-F425 HydrophobicContact CE-CD2 4.38Å; M399-F425 HydrophobicContact CE-CE1 3.61Å; M399-F425 HydrophobicContact CE-CE2 3.99Å; M399-F425 HydrophobicContact CE-CG 4.39Å; M399-F425 HydrophobicContact CE-CZ 3.59Å; G400-F425 WeakPolarHBondContact O-CA 3.15Å; G400-F425 VanDerWaalsContact O-CD2 3.3Å; G400-F425 WeakPolarHBondContact O-CD2 3.4Å; Y401-F425 HydrophobicContact CD2-CB 4.31Å; Y401-F425 HydrophobicContact CD2-CD2 4.48Å; F425-L456 HydrophobicContact CE1-CD1 4.19Å; F425-L456 HydrophobicContact CE1-CG 4.14Å; F425-L456 HydrophobicContact CZ-CD1 4.21Å; F425-E459 HydrophobicContact CD1-CB 4.42Å; F425-A460 WeakPolarHBondContact O-CA 3.44Å
426	T	98.6	Very high	95.2	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	155.2	-166.9	-166	0	0	0	0	111.4	M399 G400 F402 L424 E442 W464	M399-T426 WeakPolarHBondContact CA-O 3.35Å; G400-T426 PolarHBondContact N-O 3.16Å; G400-T426 PolarHBondContact O-N 3.34Å; G400-T426 VanDerWaalsContact O-N 3.14Å; F402-T426 HydrophobicContact CD2-CG2 4.02Å; F402-T426 HydrophobicContact CE2-CG2 3.72Å; L424-T426 HydrophobicContact CD1-CG2 4.42Å; L424-T426 HydrophobicContact CD2-CG2 3.67Å; L424-T426 HydrophobicContact CG-CG2 3.64Å; T426-E442 PolarHBondContact OG1-OE1 3.15Å; T426-E442 PolarHBondContact OG1-OE2 2.82Å; T426-W464 PolarHBondContact OG1-NE1 3.44Å
427	A	98	Very high	95.4	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.122	C	C	.	.			trans	-72.1	160.4	163.4	0	0	0	0	0	110.4	M399 E442 H445 L449	M399-A427 VanDerWaalsContact SD-CA 3.56Å; M399-A427 HydrophobicContact SD-CB 3.61Å; M399-A427 PolarHBondContact SD-N 2.87Å; M399-A427 VanDerWaalsContact SD-N 3.36Å; A427-E442 PolarHBondContact N-OE1 2.74Å; A427-E442 VanDerWaalsContact N-OE1 3.08Å; A427-E442 PolarHBondContact N-OE2 3.27Å; A427-H445 HydrophobicContact CB-CB 3.82Å; A427-H445 WeakPolarHBondContact CB-ND1 3.35Å; A427-L449 HydrophobicContact CB-CD1 4.22Å
428	V	98.2	Very high	95.5	Very high	6 Å²	6	19.6 Å²	19.6	4%	0.036	11%	0.111	C	C	.	.			trans	-121.5	144.2	175.9	-53.4	0	0	0	0	110.1	P100 G398 F402 S430 R431 F434	P100-V428 HydrophobicContact CB-CG1 4.42Å; P100-V428 HydrophobicContact CB-CG2 3.8Å; P100-V428 HydrophobicContact CG-CG1 3.82Å; P100-V428 HydrophobicContact CG-CG2 4.12Å; G398-V428 WeakPolarHBondContact O-CG2 3.47Å; F402-V428 HydrophobicContact CE2-CG1 4.17Å; F402-V428 HydrophobicContact CZ-CG1 3.87Å; V428-S430 VanDerWaalsContact C-N 3.33Å; V428-S430 PolarHBondContact O-N 3.39Å; V428-R431 HydrophobicContact CG2-CG 4.49Å; V428-F434 WeakPolarHBondContact CB-O 3.47Å
429	P	97.8	Very high	95.7	Very high	1 Å²	1	15 Å²	15	1%	0.006	9%	0.087	C	C	.	.	S	Bend	trans	-61.4	-41.6	-178.4	-23.6	33.1	0	0	0	113.1	F434 F438 D441 F830 T831 G832	P429-F434 HydrophobicContact CB-CB 4.12Å; P429-F434 HydrophobicContact CB-CD2 4.48Å; P429-F434 WeakPolarHBondContact CD-O 3.49Å; P429-F434 HydrophobicContact CG-CB 4.2Å; P429-F438 HydrophobicContact CG-CB 4.19Å; P429-F438 HydrophobicContact CG-CD2 3.63Å; P429-F438 HydrophobicContact CG-CE2 4.32Å; P429-F438 HydrophobicContact CG-CG 4.12Å; P429-D441 HydrophobicContact CG-CB 3.99Å; P429-D441 WeakPolarHBondContact CG-OD1 3.07Å; P429-F830 HydrophobicContact CB-CD2 4.36Å; P429-F830 HydrophobicContact CB-CE2 3.55Å; P429-F830 HydrophobicContact CB-CZ 3.68Å; P429-F830 WeakPolarHBondContact O-CA 3.49Å; P429-T831 PolarHBondContact O-N 2.87Å; P429-G832 PolarHBondContact O-N 3.28Å; P429-G832 VanDerWaalsContact O-N 3.15Å
430	S	97.4	Very high	96	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.088	C	C	.	.	B	Isolated β-bridge	trans	-149.1	135	179.9	168.8	0	0	0	0	111	V428 S432 F434 S827 P829	V428-S430 VanDerWaalsContact C-N 3.33Å; V428-S430 PolarHBondContact O-N 3.39Å; S430-S432 VanDerWaalsContact C-N 3.26Å; S430-S432 PolarHBondContact O-N 2.83Å; S430-S432 PolarHBondContact OG-N 3.11Å; S430-S432 PolarHBondContact OG-OG 3.08Å; S430-F434 CarbonylContact O-C 3.43Å; S430-F434 WeakPolarHBondContact O-CA 3.37Å; S430-F434 PolarHBondContact O-N 2.92Å; S430-F434 VanDerWaalsContact O-N 3.16Å; S430-S827 VanDerWaalsContact CB-OG 3.3Å; S430-S827 WeakPolarHBondContact CB-OG 3.36Å; S430-S827 PolarHBondContact OG-OG 2.89Å; S430-P829 WeakPolarHBondContact CA-O 3.28Å; S430-P829 WeakPolarHBondContact CB-O 3.33Å; S430-P829 PolarHBondContact OG-O 2.89Å
431	R	97.1	Very high	96.2	Very high	6 Å²	6	13.5 Å²	13.5	2%	0.023	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-25	177.3	-72.9	177.7	60.9	-163.8	3.1	113.2	P100 V102 Y103 C135 V428	P100-R431 HydrophobicContact CB-CG 4.08Å; P100-R431 VanDerWaalsContact O-CB 3.3Å; P100-R431 WeakPolarHBondContact O-CB 3.13Å; P100-R431 WeakPolarHBondContact O-CG 3.28Å; P100-R431 PolarHBondContact O-NE 2.94Å; P100-R431 VanDerWaalsContact O-NE 3.15Å; V102-R431 PolarHBondContact O-NH2 3.22Å; Y103-R431 VanDerWaalsContact C-NH2 3.34Å; Y103-R431 PolarHBondContact O-NH2 3.44Å; C135-R431 HydrophobicContact CB-CB 4.46Å; C135-R431 WeakPolarHBondContact CB-O 3.44Å; V428-R431 HydrophobicContact CG2-CG 4.49Å
432	S	93.1	Very high	96.6	Very high	8 Å²	8	11.7 Å²	11.7	6%	0.056	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-45.7	-173.6	59.6	0	0	0	0	113.3	C135 S430 H828	C135-S432 VanDerWaalsContact O-CA 3.26Å; C135-S432 WeakPolarHBondContact O-CA 3.31Å; S430-S432 VanDerWaalsContact C-N 3.26Å; S430-S432 PolarHBondContact O-N 2.83Å; S430-S432 PolarHBondContact OG-N 3.11Å; S430-S432 PolarHBondContact OG-OG 3.08Å; S432-H828 PolarHBondContact OG-O 3.26Å
433	F	88.4	Confident	96.8	Very high	116 Å²	116	11.2 Å²	11.2	51%	0.509	5%	0.052	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.9	-31.2	-171.4	-156.4	-89.3	0	0	0	113.1	P435 R436 S827	F433-P435 WeakPolarHBondContact O-CD 3.48Å; F433-R436 PolarHBondContact O-NH1 3.17Å; F433-S827 WeakPolarHBondContact CB-OG 3.36Å
434	F	91.9	Very high	96.9	Very high	30 Å²	30	10.2 Å²	10.2	13%	0.132	5%	0.046	C	C	.	.	B	Isolated β-bridge	trans	-124	49.4	-173.1	-58.8	-63	0	0	0	113.4	V428 P429 S430 R436 F438 F830	V428-F434 WeakPolarHBondContact CB-O 3.47Å; P429-F434 HydrophobicContact CB-CB 4.12Å; P429-F434 HydrophobicContact CB-CD2 4.48Å; P429-F434 WeakPolarHBondContact CD-O 3.49Å; P429-F434 HydrophobicContact CG-CB 4.2Å; S430-F434 CarbonylContact O-C 3.43Å; S430-F434 WeakPolarHBondContact O-CA 3.37Å; S430-F434 PolarHBondContact O-N 2.92Å; S430-F434 VanDerWaalsContact O-N 3.16Å; F434-R436 PolarHBondContact O-N 3.46Å; F434-F438 HydrophobicContact CB-CE2 3.82Å; F434-F438 HydrophobicContact CB-CZ 4.44Å; F434-F438 AromaticContact CD1-CE2 3.9Å; F434-F438 HydrophobicContact CD1-CE2 3.9Å; F434-F438 AromaticContact CD1-CZ 3.63Å; F434-F438 HydrophobicContact CD1-CZ 3.63Å; F434-F438 HydrophobicContact CE1-CZ 4.25Å; F434-F438 HydrophobicContact CG-CE2 4.2Å; F434-F438 HydrophobicContact CG-CZ 4.35Å; F434-F830 HydrophobicContact CD2-CE2 4.32Å
435	P	94.3	Very high	97	Very high	4 Å²	4	10.2 Å²	10.2	3%	0.026	5%	0.046	C	C	.	.			trans	-79.6	56.5	-174.3	35.6	-38.8	0	0	0	112.7	P100 Q101 F402 F433 K487	P100-P435 HydrophobicContact CG-CB 4.45Å; Q101-P435 HydrophobicContact CB-CB 3.65Å; Q101-P435 HydrophobicContact CB-CG 3.75Å; F402-P435 VanDerWaalsContact CE1-O 3.32Å; F402-P435 WeakPolarHBondContact CE1-O 3.46Å; F402-P435 WeakPolarHBondContact CZ-O 3.24Å; F433-P435 WeakPolarHBondContact O-CD 3.48Å; P435-K487 HydrophobicContact CG-CB 4.34Å; P435-K487 HydrophobicContact CG-CG 4.13Å
436	R	96.4	Very high	97	Very high	11 Å²	11	10.2 Å²	10.2	4%	0.042	5%	0.046	C	C	.	.	S	Bend	trans	-157.7	167.3	-175.8	60.7	-163.1	178.4	-88.6	0.6	110.7	F433 F434 F438 E477 V488	F433-R436 PolarHBondContact O-NH1 3.17Å; F434-R436 PolarHBondContact O-N 3.46Å; R436-F438 HydrophobicContact CG-CD2 4.22Å; R436-F438 HydrophobicContact CG-CE2 3.56Å; R436-F438 HydrophobicContact CG-CZ 4.33Å; R436-F438 WeakPolarHBondContact O-CD2 3.18Å; R436-E477 IonicContact CZ-OE1 3.99Å; R436-E477 IonicContact NE-OE1 2.68Å; R436-E477 PolarHBondContact NE-OE1 3.27Å; R436-E477 IonicContact NH2-OE1 2.82Å; R436-E477 PolarHBondContact NH2-OE1 3.44Å; R436-V488 VanDerWaalsContact CZ-CG2 3.48Å
437	G	97.9	Very high	97	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	131.6	-178.2	0	0	0	0	0	112.8	Q478	G437-Q478 PolarHBondContact O-N 2.88Å
438	F	98.4	Very high	97	Very high	13 Å²	13	10.3 Å²	10.3	6%	0.057	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	125.8	169.3	-74.6	-102.1	0	0	0	109.7	P429 F434 R436 W440 D441 E442 W464 R476 E477	P429-F438 HydrophobicContact CG-CB 4.19Å; P429-F438 HydrophobicContact CG-CD2 3.63Å; P429-F438 HydrophobicContact CG-CE2 4.32Å; P429-F438 HydrophobicContact CG-CG 4.12Å; F434-F438 HydrophobicContact CB-CE2 3.82Å; F434-F438 HydrophobicContact CB-CZ 4.44Å; F434-F438 AromaticContact CD1-CE2 3.9Å; F434-F438 HydrophobicContact CD1-CE2 3.9Å; F434-F438 AromaticContact CD1-CZ 3.63Å; F434-F438 HydrophobicContact CD1-CZ 3.63Å; F434-F438 HydrophobicContact CE1-CZ 4.25Å; F434-F438 HydrophobicContact CG-CE2 4.2Å; F434-F438 HydrophobicContact CG-CZ 4.35Å; R436-F438 HydrophobicContact CG-CD2 4.22Å; R436-F438 HydrophobicContact CG-CE2 3.56Å; R436-F438 HydrophobicContact CG-CZ 4.33Å; R436-F438 WeakPolarHBondContact O-CD2 3.18Å; F438-W440 PolarHBondContact O-N 3.36Å; F438-D441 HydrophobicContact CB-CB 3.92Å; F438-D441 WeakPolarHBondContact CB-OD2 3.44Å; F438-D441 PolarHBondContact O-N 2.97Å; F438-E442 PolarHBondContact O-N 3.47Å; F438-E442 VanDerWaalsContact O-N 3.1Å; F438-W464 VanDerWaalsContact C-CH2 3.47Å; F438-R476 WeakPolarHBondContact CA-O 3.16Å; F438-E477 HydrophobicContact CD1-CB 4.4Å; F438-E477 HydrophobicContact CD1-CG 4.15Å; F438-E477 HydrophobicContact CE1-CB 4.25Å; F438-E477 VanDerWaalsContact CE1-CD 3.43Å; F438-E477 HydrophobicContact CE1-CG 3.65Å; F438-E477 HydrophobicContact CE2-CG 4.24Å; F438-E477 VanDerWaalsContact CZ-CD 3.45Å; F438-E477 HydrophobicContact CZ-CG 3.71Å; F438-E477 WeakPolarHBondContact CZ-OE1 3.44Å
439	L	98.4	Very high	97	Very high	1 Å²	1	10 Å²	10	1%	0.005	5%	0.045	C	C	.	.	H	α-helix	trans	-62.1	-47	-165.8	179.5	61.4	0	0	0	112.2	W464 I474 R476 N501 L505	L439-W464 VanDerWaalsContact CA-CH2 3.49Å; L439-W464 HydrophobicContact CB-CE3 4.44Å; L439-W464 HydrophobicContact CB-CH2 4.02Å; L439-W464 HydrophobicContact CB-CZ3 3.74Å; L439-W464 HydrophobicContact CD1-CD2 4.16Å; L439-W464 HydrophobicContact CD1-CE3 3.55Å; L439-W464 HydrophobicContact CD1-CZ3 3.74Å; L439-W464 HydrophobicContact CG-CZ3 4.32Å; L439-W464 VanDerWaalsContact N-CH2 3.31Å; L439-I474 HydrophobicContact CD1-CG2 4.18Å; L439-I474 HydrophobicContact CD2-CB 4.21Å; L439-I474 HydrophobicContact CD2-CG2 4.32Å; L439-R476 PolarHBondContact N-O 3.26Å; L439-N501 HydrophobicContact CD2-CB 4.23Å; L439-L505 HydrophobicContact CD1-CD1 3.76Å; L439-L505 HydrophobicContact CD1-CG 4.4Å
440	W	98.3	Very high	97	Very high	12 Å²	12	10 Å²	10	5%	0.045	5%	0.045	C	C	.	.	H	α-helix	trans	-78.7	-30.1	-178.1	85.5	-61.8	0	0	0	113.3	F438 E442 F444 N501 P502 T504 W758 N765 W833	F438-W440 PolarHBondContact O-N 3.36Å; W440-E442 VanDerWaalsContact C-N 3.27Å; W440-E442 PolarHBondContact O-N 3.05Å; W440-F444 HydrophobicContact CE3-CD2 4.4Å; W440-F444 AromaticContact CE3-CE2 3.74Å; W440-F444 HydrophobicContact CE3-CE2 3.74Å; W440-F444 AromaticContact CZ3-CE2 3.78Å; W440-F444 HydrophobicContact CZ3-CE2 3.78Å; W440-F444 WeakPolarHBondContact O-CD2 3.41Å; W440-N501 HydrophobicContact CB-CB 4.4Å; W440-N501 WeakPolarHBondContact CB-OD1 3.48Å; W440-N501 PolarHBondContact N-OD1 3.19Å; W440-P502 HydrophobicContact CB-CB 4.1Å; W440-P502 HydrophobicContact CB-CG 4.37Å; W440-P502 WeakPolarHBondContact CB-O 3.28Å; W440-P502 HydrophobicContact CE3-CB 4.36Å; W440-P502 HydrophobicContact CE3-CG 4.19Å; W440-T504 VanDerWaalsContact C-OG1 3.27Å; W440-T504 VanDerWaalsContact CA-OG1 3.28Å; W440-T504 WeakPolarHBondContact CA-OG1 3.42Å; W440-T504 HydrophobicContact CB-CG2 4.14Å; W440-T504 HydrophobicContact CE3-CG2 4.34Å; W440-T504 WeakPolarHBondContact O-CB 2.96Å; W440-T504 WeakPolarHBondContact O-CG2 3.36Å; W440-T504 PolarHBondContact O-OG1 2.72Å; W440-W758 AromaticContact CH2-CH2 3.96Å; W440-W758 HydrophobicContact CH2-CH2 3.96Å; W440-W758 AromaticContact CH2-CZ2 4Å; W440-W758 HydrophobicContact CH2-CZ2 4Å; W440-W758 HydrophobicContact CZ2-CZ2 4.25Å; W440-N765 WeakPolarHBondContact CH2-ND2 3.32Å; W440-N765 VanDerWaalsContact CZ3-ND2 3.34Å; W440-N765 WeakPolarHBondContact CZ3-ND2 3.46Å; W440-W833 AromaticContact CE2-CZ3 3.75Å; W440-W833 HydrophobicContact CH2-CE3 4.28Å; W440-W833 HydrophobicContact CH2-CH2 4.2Å; W440-W833 AromaticContact CH2-CZ3 3.67Å; W440-W833 HydrophobicContact CH2-CZ3 3.67Å; W440-W833 HydrophobicContact CZ2-CE3 4.13Å; W440-W833 AromaticContact CZ2-CH2 3.67Å; W440-W833 HydrophobicContact CZ2-CH2 3.67Å; W440-W833 AromaticContact CZ2-CZ3 3.17Å; W440-W833 HydrophobicContact CZ2-CZ3 3.17Å
441	D	98.8	Very high	96.9	Very high	6 Å²	6	12.2 Å²	12.2	3%	0.032	6%	0.055	C	C	.	.	H	α-helix	trans	-61.9	-38.8	172.9	-61.9	-114.7	0	0	0	110.8	P429 F438 G443 F444 H445 W833	P429-D441 HydrophobicContact CG-CB 3.99Å; P429-D441 WeakPolarHBondContact CG-OD1 3.07Å; F438-D441 HydrophobicContact CB-CB 3.92Å; F438-D441 WeakPolarHBondContact CB-OD2 3.44Å; F438-D441 PolarHBondContact O-N 2.97Å; D441-G443 VanDerWaalsContact C-N 3.31Å; D441-G443 PolarHBondContact O-N 3.36Å; D441-F444 WeakPolarHBondContact O-CA 3.06Å; D441-F444 WeakPolarHBondContact O-CB 3.49Å; D441-F444 PolarHBondContact O-N 3.2Å; D441-H445 PolarHBondContact O-CD2 2.83Å; D441-H445 PolarHBondContact O-N 2.96Å; D441-W833 WeakPolarHBondContact OD1-CZ3 3.38Å
442	E	98.8	Very high	97	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-62.4	-35.8	-173.6	-164.6	68.2	-173.3	0	0	113	T426 A427 F438 W440 F444 H445 Q446 W464 L505	T426-E442 PolarHBondContact OG1-OE1 3.15Å; T426-E442 PolarHBondContact OG1-OE2 2.82Å; A427-E442 PolarHBondContact N-OE1 2.74Å; A427-E442 VanDerWaalsContact N-OE1 3.08Å; A427-E442 PolarHBondContact N-OE2 3.27Å; F438-E442 PolarHBondContact O-N 3.47Å; F438-E442 VanDerWaalsContact O-N 3.1Å; W440-E442 VanDerWaalsContact C-N 3.27Å; W440-E442 PolarHBondContact O-N 3.05Å; E442-F444 VanDerWaalsContact C-N 3.27Å; E442-F444 PolarHBondContact O-N 2.73Å; E442-H445 WeakPolarHBondContact O-CB 3.13Å; E442-H445 PolarHBondContact O-N 2.92Å; E442-H445 IonicContact OE2-CE1 3.98Å; E442-H445 IonicContact OE2-CG 2.69Å; E442-H445 IonicContact OE2-ND1 3.23Å; E442-H445 PolarHBondContact OE2-ND1 3.26Å; E442-Q446 HydrophobicContact CG-CG 4.1Å; E442-Q446 WeakPolarHBondContact O-CB 3.4Å; E442-Q446 VanDerWaalsContact O-CG 3.24Å; E442-Q446 WeakPolarHBondContact O-CG 3.39Å; E442-Q446 PolarHBondContact O-N 2.87Å; E442-Q446 PolarHBondContact OE1-NE2 2.91Å; E442-W464 HydrophobicContact CB-CZ2 4.31Å; E442-L505 HydrophobicContact CB-CD2 4.09Å; E442-L505 HydrophobicContact CG-CD2 4.16Å
443	G	98.6	Very high	97.1	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-58.5	-39.9	173.4	0	0	0	0	0	112.7	D441 L447 T504	D441-G443 VanDerWaalsContact C-N 3.31Å; D441-G443 PolarHBondContact O-N 3.36Å; G443-L447 PolarHBondContact O-N 3.38Å; G443-T504 WeakPolarHBondContact CA-O 3.3Å; G443-T504 WeakPolarHBondContact CA-OG1 3.32Å; G443-T504 PolarHBondContact N-OG1 3.1Å
444	F	98.8	Very high	97.5	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-72.1	-37	175.3	-68.9	-67.4	0	0	0	112.5	W440 D441 E442 Q446 L447 T504 L507 N765 L769 W833 L836	W440-F444 HydrophobicContact CE3-CD2 4.4Å; W440-F444 AromaticContact CE3-CE2 3.74Å; W440-F444 HydrophobicContact CE3-CE2 3.74Å; W440-F444 AromaticContact CZ3-CE2 3.78Å; W440-F444 HydrophobicContact CZ3-CE2 3.78Å; W440-F444 WeakPolarHBondContact O-CD2 3.41Å; D441-F444 WeakPolarHBondContact O-CA 3.06Å; D441-F444 WeakPolarHBondContact O-CB 3.49Å; D441-F444 PolarHBondContact O-N 3.2Å; E442-F444 VanDerWaalsContact C-N 3.27Å; E442-F444 PolarHBondContact O-N 2.73Å; F444-Q446 VanDerWaalsContact C-N 3.3Å; F444-Q446 PolarHBondContact O-N 2.87Å; F444-L447 HydrophobicContact CD1-CD1 4.19Å; F444-L447 PolarHBondContact O-N 3.25Å; F444-T504 HydrophobicContact CD2-CG2 4.22Å; F444-T504 HydrophobicContact CE2-CG2 3.7Å; F444-T504 HydrophobicContact CZ-CG2 4.19Å; F444-L507 HydrophobicContact CD1-CD1 4.5Å; F444-L507 HydrophobicContact CE1-CD1 4.06Å; F444-L507 HydrophobicContact CZ-CD1 4.41Å; F444-N765 HydrophobicContact CD1-CB 4.13Å; F444-N765 HydrophobicContact CD2-CB 4.05Å; F444-N765 HydrophobicContact CE1-CB 3.97Å; F444-N765 HydrophobicContact CE2-CB 3.89Å; F444-N765 HydrophobicContact CG-CB 4.16Å; F444-N765 HydrophobicContact CZ-CB 3.86Å; F444-L769 HydrophobicContact CE1-CD1 4.12Å; F444-L769 HydrophobicContact CE1-CD2 4.23Å; F444-L769 HydrophobicContact CE1-CG 4.09Å; F444-L769 HydrophobicContact CZ-CD1 4.08Å; F444-W833 HydrophobicContact CB-CB 3.91Å; F444-W833 HydrophobicContact CG-CB 4.32Å; F444-L836 HydrophobicContact CB-CD1 4.03Å; F444-L836 HydrophobicContact CD1-CD1 3.72Å; F444-L836 HydrophobicContact CG-CD1 4.24Å; F444-L836 WeakPolarHBondContact O-CD2 3.5Å
445	H	98.8	Very high	97.6	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-58.6	-46.9	173.3	-57.3	158.3	0	0	0	110.9	M395 A427 D441 E442 L447 L448 L449 G832	M395-H445 HydrophobicContact CE-CB 4.38Å; M395-H445 HydrophobicContact SD-CB 4.27Å; A427-H445 HydrophobicContact CB-CB 3.82Å; A427-H445 WeakPolarHBondContact CB-ND1 3.35Å; D441-H445 PolarHBondContact O-CD2 2.83Å; D441-H445 PolarHBondContact O-N 2.96Å; E442-H445 WeakPolarHBondContact O-CB 3.13Å; E442-H445 PolarHBondContact O-N 2.92Å; E442-H445 IonicContact OE2-CE1 3.98Å; E442-H445 IonicContact OE2-CG 2.69Å; E442-H445 IonicContact OE2-ND1 3.23Å; E442-H445 PolarHBondContact OE2-ND1 3.26Å; H445-L447 VanDerWaalsContact C-N 3.28Å; H445-L447 PolarHBondContact O-N 3.21Å; H445-L448 PolarHBondContact O-N 3.45Å; H445-L449 HydrophobicContact CB-CD1 4.48Å; H445-L449 WeakPolarHBondContact O-CG 3.3Å; H445-L449 PolarHBondContact O-N 3.45Å; H445-L449 VanDerWaalsContact O-N 3.11Å; H445-G832 WeakPolarHBondContact CD2-CA 3.39Å; H445-G832 WeakPolarHBondContact NE2-CA 3.27Å
446	Q	98.7	Very high	97.8	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-72.1	-18.5	-174	-65	-52.8	-31.4	0	0	113.9	E442 F444 L448 S450 T457 A508	E442-Q446 HydrophobicContact CG-CG 4.1Å; E442-Q446 WeakPolarHBondContact O-CB 3.4Å; E442-Q446 VanDerWaalsContact O-CG 3.24Å; E442-Q446 WeakPolarHBondContact O-CG 3.39Å; E442-Q446 PolarHBondContact O-N 2.87Å; E442-Q446 PolarHBondContact OE1-NE2 2.91Å; F444-Q446 VanDerWaalsContact C-N 3.3Å; F444-Q446 PolarHBondContact O-N 2.87Å; Q446-L448 VanDerWaalsContact C-N 3.33Å; Q446-L448 PolarHBondContact O-N 3.4Å; Q446-S450 WeakPolarHBondContact O-CB 3.37Å; Q446-S450 PolarHBondContact O-N 3.29Å; Q446-S450 PolarHBondContact O-OG 2.85Å; Q446-T457 HydrophobicContact CB-CG2 3.87Å; Q446-T457 HydrophobicContact CG-CG2 4.14Å; Q446-T457 VanDerWaalsContact OE1-CB 3.25Å; Q446-T457 PolarHBondContact OE1-OG1 2.98Å; Q446-A508 HydrophobicContact CB-CB 3.6Å
447	L	98.5	Very high	97.9	Very high	2 Å²	2	9.1 Å²	9.1	1%	0.01	4%	0.043	C	C	.	.	H	α-helix	trans	-59.9	-42.6	168.9	-73.8	173.9	0	0	0	112	G443 F444 H445 S450 L507 E511 Y768 L836 L839	G443-L447 PolarHBondContact O-N 3.38Å; F444-L447 HydrophobicContact CD1-CD1 4.19Å; F444-L447 PolarHBondContact O-N 3.25Å; H445-L447 VanDerWaalsContact C-N 3.28Å; H445-L447 PolarHBondContact O-N 3.21Å; L447-S450 PolarHBondContact O-OG 3.21Å; L447-L507 HydrophobicContact CD1-CB 4.48Å; L447-L507 HydrophobicContact CD2-CB 4.17Å; L447-L507 HydrophobicContact CG-CB 4.47Å; L447-E511 HydrophobicContact CD2-CB 4.4Å; L447-Y768 HydrophobicContact CD1-CD1 4.32Å; L447-Y768 HydrophobicContact CD1-CE1 3.61Å; L447-L836 HydrophobicContact CB-CD2 3.92Å; L447-L836 HydrophobicContact CD1-CD2 4.33Å; L447-L839 HydrophobicContact CB-CD1 3.96Å
448	L	98.6	Very high	97.9	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-79.3	-46.3	177.4	177.7	59.4	0	0	0	111.4	F373 L392 M395 H445 Q446 S450 K451 V838 L839	F373-L448 HydrophobicContact CE1-CD1 3.75Å; F373-L448 HydrophobicContact CZ-CD1 3.76Å; L392-L448 HydrophobicContact CD1-CD1 4.34Å; L392-L448 HydrophobicContact CD1-CD2 4.13Å; L392-L448 HydrophobicContact CD1-CG 3.96Å; M395-L448 HydrophobicContact CE-CD2 4.19Å; M395-L448 HydrophobicContact SD-CB 4.1Å; M395-L448 HydrophobicContact SD-CD2 3.98Å; M395-L448 HydrophobicContact SD-CG 4.34Å; H445-L448 PolarHBondContact O-N 3.45Å; Q446-L448 VanDerWaalsContact C-N 3.33Å; Q446-L448 PolarHBondContact O-N 3.4Å; L448-S450 VanDerWaalsContact C-N 3.31Å; L448-S450 PolarHBondContact O-N 2.76Å; L448-K451 PolarHBondContact O-N 3.03Å; L448-V838 HydrophobicContact CD1-CB 4.07Å; L448-V838 HydrophobicContact CD1-CG1 3.97Å; L448-V838 HydrophobicContact CD2-CB 4.4Å; L448-L839 HydrophobicContact CB-CD1 4.47Å; L448-L839 HydrophobicContact CB-CG 4.39Å; L448-L839 HydrophobicContact CD1-CD2 3.67Å; L448-L839 HydrophobicContact CD1-CG 4.01Å
449	L	98.6	Very high	97.8	Very high	1 Å²	1	9.6 Å²	9.6	1%	0.005	5%	0.045	C	C	.	.	H	α-helix	trans	-65.3	-34	-175.1	-64.7	176.5	0	0	0	112.7	L392 M395 L396 M399 A427 H445 K451 W452 D453 L456	L392-L449 HydrophobicContact CD1-CD2 4.41Å; M395-L449 HydrophobicContact CB-CD2 4.44Å; M395-L449 HydrophobicContact CG-CD1 4.11Å; M395-L449 HydrophobicContact CG-CD2 3.92Å; M395-L449 HydrophobicContact CG-CG 4.11Å; M395-L449 HydrophobicContact SD-CD1 4.02Å; M395-L449 HydrophobicContact SD-CD2 3.77Å; M395-L449 HydrophobicContact SD-CG 3.57Å; M395-L449 VanDerWaalsContact SD-CG 3.57Å; L396-L449 HydrophobicContact CD2-CD2 3.56Å; L396-L449 HydrophobicContact CG-CD2 3.82Å; M399-L449 HydrophobicContact SD-CD1 3.8Å; A427-L449 HydrophobicContact CB-CD1 4.22Å; H445-L449 HydrophobicContact CB-CD1 4.48Å; H445-L449 WeakPolarHBondContact O-CG 3.3Å; H445-L449 PolarHBondContact O-N 3.45Å; H445-L449 VanDerWaalsContact O-N 3.11Å; L449-K451 VanDerWaalsContact C-N 3.25Å; L449-K451 PolarHBondContact O-N 3.46Å; L449-W452 WeakPolarHBondContact O-CA 3.34Å; L449-W452 PolarHBondContact O-N 2.64Å; L449-D453 PolarHBondContact O-N 2.92Å; L449-L456 HydrophobicContact CB-CD2 3.99Å; L449-L456 HydrophobicContact CD1-CD2 3.8Å; L449-L456 HydrophobicContact CG-CD2 4.36Å
450	S	97.1	Very high	97.8	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-63.5	-29.9	177.5	62.8	0	0	0	0	112.9	Q446 L447 L448 W452 P454 T457 E511 Q515	Q446-S450 WeakPolarHBondContact O-CB 3.37Å; Q446-S450 PolarHBondContact O-N 3.29Å; Q446-S450 PolarHBondContact O-OG 2.85Å; L447-S450 PolarHBondContact O-OG 3.21Å; L448-S450 VanDerWaalsContact C-N 3.31Å; L448-S450 PolarHBondContact O-N 2.76Å; S450-W452 VanDerWaalsContact C-N 3.26Å; S450-W452 PolarHBondContact O-N 3.47Å; S450-P454 WeakPolarHBondContact O-CD 3.41Å; S450-P454 WeakPolarHBondContact O-CG 3.39Å; S450-T457 VanDerWaalsContact CA-OG1 3.23Å; S450-T457 WeakPolarHBondContact CA-OG1 3.2Å; S450-T457 WeakPolarHBondContact CB-OG1 3.47Å; S450-T457 PolarHBondContact N-OG1 3.33Å; S450-E511 VanDerWaalsContact OG-CG 3.32Å; S450-E511 WeakPolarHBondContact OG-CG 3.25Å; S450-Q515 PolarHBondContact O-NE2 2.79Å
451	K	96.5	Very high	97.9	Very high	47 Å²	47	9 Å²	9	20%	0.204	4%	0.043	C	C	.	.	H	α-helix	trans	-68.4	-29.3	173.6	-55.5	-63.5	-178.7	177.1	0	111.6	I372 F373 L448 L449 E511 L839	I372-K451 HydrophobicContact CG2-CB 4.12Å; F373-K451 HydrophobicContact CE1-CB 4.29Å; F373-K451 HydrophobicContact CZ-CB 4.42Å; L448-K451 PolarHBondContact O-N 3.03Å; L449-K451 VanDerWaalsContact C-N 3.25Å; L449-K451 PolarHBondContact O-N 3.46Å; K451-E511 VanDerWaalsContact CE-CD 3.42Å; K451-E511 WeakPolarHBondContact CE-OE1 3.44Å; K451-E511 VanDerWaalsContact CE-OE2 3.29Å; K451-E511 WeakPolarHBondContact CE-OE2 3.23Å; K451-E511 IonicContact NZ-OE1 3.99Å; K451-E511 PolarHBondContact NZ-OE1 3.2Å; K451-E511 IonicContact NZ-OE2 2.74Å; K451-E511 PolarHBondContact NZ-OE2 2.67Å; K451-L839 HydrophobicContact CG-CD2 3.98Å
452	W	97.6	Very high	97.9	Very high	9 Å²	9	8.7 Å²	8.7	3%	0.034	4%	0.041	C	C	.	.	H	α-helix	trans	-87.3	-46.8	-179.3	-177.5	-102.6	0	0	0	113.4	D150 F365 K368 F369 I372 F373 L392 L396 L449 S450	D150-W452 HydrophobicContact CB-CZ2 4Å; D150-W452 PolarHBondContact O-NE1 2.9Å; F365-W452 AromaticContact CD2-CH2 3.52Å; F365-W452 HydrophobicContact CD2-CH2 3.52Å; F365-W452 AromaticContact CD2-CZ2 3.7Å; F365-W452 HydrophobicContact CD2-CZ2 3.7Å; F365-W452 AromaticContact CE2-CH2 3.71Å; F365-W452 HydrophobicContact CE2-CH2 3.71Å; F365-W452 AromaticContact CE2-CZ2 3.9Å; F365-W452 HydrophobicContact CE2-CZ2 3.9Å; F365-W452 HydrophobicContact CE2-CZ3 4.46Å; F365-W452 HydrophobicContact CG-CH2 4.33Å; K368-W452 HydrophobicContact CB-CH2 3.91Å; K368-W452 HydrophobicContact CB-CZ3 4.06Å; K368-W452 HydrophobicContact CD-CD2 4.39Å; K368-W452 HydrophobicContact CD-CE3 4.18Å; K368-W452 HydrophobicContact CD-CH2 3.53Å; K368-W452 HydrophobicContact CD-CZ2 3.73Å; K368-W452 HydrophobicContact CD-CZ3 3.77Å; K368-W452 VanDerWaalsContact CE-O 3.3Å; K368-W452 WeakPolarHBondContact CE-O 3.37Å; K368-W452 HydrophobicContact CG-CE3 4.24Å; K368-W452 HydrophobicContact CG-CH2 3.72Å; K368-W452 HydrophobicContact CG-CZ2 4.42Å; K368-W452 HydrophobicContact CG-CZ3 3.6Å; K368-W452 PolarHBondContact NZ-O 3.36Å; F369-W452 HydrophobicContact CB-CZ3 4.26Å; I372-W452 HydrophobicContact CD1-CD2 4.5Å; I372-W452 HydrophobicContact CD1-CE3 3.65Å; I372-W452 HydrophobicContact CD1-CZ3 4.08Å; F373-W452 HydrophobicContact CE2-CE3 4.4Å; L392-W452 HydrophobicContact CD1-CB 4.33Å; L392-W452 HydrophobicContact CD2-CD2 4.03Å; L392-W452 HydrophobicContact CD2-CE3 3.72Å; L392-W452 HydrophobicContact CD2-CG 4.48Å; L392-W452 HydrophobicContact CD2-CZ3 4.12Å; L396-W452 HydrophobicContact CD1-CG 4.26Å; L449-W452 WeakPolarHBondContact O-CA 3.34Å; L449-W452 PolarHBondContact O-N 2.64Å; S450-W452 VanDerWaalsContact C-N 3.26Å; S450-W452 PolarHBondContact O-N 3.47Å
453	D	96.3	Very high	97.8	Very high	19 Å²	19	8.8 Å²	8.8	10%	0.102	4%	0.042	C	C	.	.			trans	-151.7	91.4	-176.6	-176	-2.5	0	0	0	110.8	R93 L449 Q455 L456 T457	R93-D453 IonicContact CZ-OD2 3.11Å; R93-D453 IonicContact NE-OD2 2.66Å; R93-D453 IonicContact NH2-OD1 3.76Å; R93-D453 IonicContact NH2-OD2 2.71Å; R93-D453 PolarHBondContact NH2-OD2 3.03Å; L449-D453 PolarHBondContact O-N 2.92Å; D453-Q455 PolarHBondContact O-N 3.15Å; D453-Q455 VanDerWaalsContact O-N 3.14Å; D453-Q455 VanDerWaalsContact OD1-CB 3.31Å; D453-Q455 WeakPolarHBondContact OD1-CB 3.34Å; D453-Q455 PolarHBondContact OD1-N 2.98Å; D453-L456 HydrophobicContact CB-CB 3.99Å; D453-L456 WeakPolarHBondContact O-CB 3.45Å; D453-L456 PolarHBondContact O-N 3.4Å; D453-L456 VanDerWaalsContact O-N 3.11Å; D453-L456 PolarHBondContact OD1-N 2.89Å; D453-T457 PolarHBondContact O-N 2.83Å
454	P	96	Very high	97.8	Very high	17 Å²	17	8.8 Å²	8.8	11%	0.11	4%	0.042	C	C	.	.	H	α-helix	trans	-58	-26	176.7	-24.3	31.7	0	0	0	114	S450 T457 R458 L512 A524	S450-P454 WeakPolarHBondContact O-CD 3.41Å; S450-P454 WeakPolarHBondContact O-CG 3.39Å; P454-T457 PolarHBondContact O-N 2.84Å; P454-R458 WeakPolarHBondContact O-CG 3.24Å; P454-R458 PolarHBondContact O-N 2.86Å; P454-R458 VanDerWaalsContact O-N 3.08Å; P454-L512 HydrophobicContact CB-CD2 4.23Å; P454-A524 HydrophobicContact CG-CB 4.42Å
455	Q	95.5	Very high	97.8	Very high	62 Å²	62	8.8 Å²	8.8	29%	0.29	4%	0.042	S	C	.	.	H	α-helix	trans	-69.4	-41.4	177.6	178.1	60	21.9	0	0	111.1	D453 T457 R458 E459	D453-Q455 PolarHBondContact O-N 3.15Å; D453-Q455 VanDerWaalsContact O-N 3.14Å; D453-Q455 VanDerWaalsContact OD1-CB 3.31Å; D453-Q455 WeakPolarHBondContact OD1-CB 3.34Å; D453-Q455 PolarHBondContact OD1-N 2.98Å; Q455-T457 VanDerWaalsContact C-N 3.28Å; Q455-T457 PolarHBondContact O-N 2.91Å; Q455-R458 VanDerWaalsContact CA-NH2 3.34Å; Q455-R458 PolarHBondContact O-N 3.4Å; Q455-E459 PolarHBondContact NE2-OE1 2.77Å; Q455-E459 WeakPolarHBondContact O-CG 3.33Å; Q455-E459 PolarHBondContact O-N 3.18Å
456	L	96.9	Very high	97.8	Very high	3 Å²	3	9.3 Å²	9.3	2%	0.016	5%	0.045	C	C	.	.	H	α-helix	trans	-59.7	-41	174.2	180	141.4	0	0	0	111.2	L396 M399 F425 L449 D453 E459 A460	L396-L456 HydrophobicContact CD2-CD1 4.44Å; M399-L456 HydrophobicContact CE-CD1 4.23Å; M399-L456 HydrophobicContact CE-CD2 3.92Å; M399-L456 HydrophobicContact CE-CG 4.15Å; M399-L456 HydrophobicContact CG-CD1 4.4Å; M399-L456 HydrophobicContact SD-CD2 4.14Å; F425-L456 HydrophobicContact CE1-CD1 4.19Å; F425-L456 HydrophobicContact CE1-CG 4.14Å; F425-L456 HydrophobicContact CZ-CD1 4.21Å; L449-L456 HydrophobicContact CB-CD2 3.99Å; L449-L456 HydrophobicContact CD1-CD2 3.8Å; L449-L456 HydrophobicContact CG-CD2 4.36Å; D453-L456 HydrophobicContact CB-CB 3.99Å; D453-L456 WeakPolarHBondContact O-CB 3.45Å; D453-L456 PolarHBondContact O-N 3.4Å; D453-L456 VanDerWaalsContact O-N 3.11Å; D453-L456 PolarHBondContact OD1-N 2.89Å; L456-E459 PolarHBondContact O-N 2.96Å; L456-A460 PolarHBondContact O-N 3.46Å
457	T	98.2	Very high	97.7	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-63.5	-45.1	176.4	-61.7	0	0	0	0	113.1	Q446 S450 D453 P454 Q455 E459 A460 I461 L512	Q446-T457 HydrophobicContact CB-CG2 3.87Å; Q446-T457 HydrophobicContact CG-CG2 4.14Å; Q446-T457 VanDerWaalsContact OE1-CB 3.25Å; Q446-T457 PolarHBondContact OE1-OG1 2.98Å; S450-T457 VanDerWaalsContact CA-OG1 3.23Å; S450-T457 WeakPolarHBondContact CA-OG1 3.2Å; S450-T457 WeakPolarHBondContact CB-OG1 3.47Å; S450-T457 PolarHBondContact N-OG1 3.33Å; D453-T457 PolarHBondContact O-N 2.83Å; P454-T457 PolarHBondContact O-N 2.84Å; Q455-T457 VanDerWaalsContact C-N 3.28Å; Q455-T457 PolarHBondContact O-N 2.91Å; T457-E459 VanDerWaalsContact C-N 3.32Å; T457-E459 PolarHBondContact O-N 3.3Å; T457-A460 PolarHBondContact O-N 2.73Å; T457-I461 HydrophobicContact CG2-CD1 3.79Å; T457-I461 HydrophobicContact CG2-CG1 4.38Å; T457-I461 WeakPolarHBondContact O-CG1 3.44Å; T457-I461 PolarHBondContact O-N 2.78Å; T457-L512 HydrophobicContact CG2-CD1 4.15Å; T457-L512 HydrophobicContact CG2-CD2 4.38Å; T457-L512 HydrophobicContact CG2-CG 4.38Å
458	R	98.3	Very high	97.7	Very high	7 Å²	7	9.5 Å²	9.5	3%	0.026	5%	0.046	C	C	.	.	H	α-helix	trans	-61.5	-41	175.8	-70.7	-177.3	-64.5	-99.5	0.5	111.9	P454 Q455 G462 L512 A524 T528 F531	P454-R458 WeakPolarHBondContact O-CG 3.24Å; P454-R458 PolarHBondContact O-N 2.86Å; P454-R458 VanDerWaalsContact O-N 3.08Å; Q455-R458 VanDerWaalsContact CA-NH2 3.34Å; Q455-R458 PolarHBondContact O-N 3.4Å; R458-G462 PolarHBondContact O-N 2.72Å; R458-L512 HydrophobicContact CG-CD1 4.05Å; R458-A524 PolarHBondContact NH1-O 3.32Å; R458-A524 PolarHBondContact NH2-O 2.88Å; R458-A524 VanDerWaalsContact NH2-O 3.15Å; R458-T528 PolarHBondContact NH1-OG1 3Å; R458-T528 VanDerWaalsContact NH1-OG1 3.11Å; R458-F531 HydrophobicContact CB-CD1 4.25Å; R458-F531 HydrophobicContact CB-CD2 3.96Å; R458-F531 HydrophobicContact CB-CE1 4.31Å; R458-F531 HydrophobicContact CB-CE2 4.03Å; R458-F531 HydrophobicContact CB-CG 4.06Å; R458-F531 HydrophobicContact CB-CZ 4.2Å; R458-F531 HydrophobicContact CG-CB 4.43Å; R458-F531 HydrophobicContact CG-CD1 3.73Å; R458-F531 HydrophobicContact CG-CD2 4.3Å; R458-F531 HydrophobicContact CG-CE1 4Å; R458-F531 HydrophobicContact CG-CG 3.88Å; R458-F531 HydrophobicContact CG-CZ 4.4Å; R458-F531 WeakPolarHBondContact O-CE2 3.37Å; R458-F531 WeakPolarHBondContact O-CZ 3.49Å
459	E	97.4	Very high	97.6	Very high	15 Å²	15	9.5 Å²	9.5	7%	0.07	5%	0.046	C	C	.	.	H	α-helix	trans	-63.1	-47.3	175.5	-74.7	179.7	-156.9	0	0	111.6	R109 F425 Q455 L456 T457 G462 H463	R109-E459 IonicContact CZ-OE2 3.4Å; R109-E459 IonicContact NH1-OE2 3.58Å; R109-E459 PolarHBondContact NH1-OE2 3.08Å; R109-E459 IonicContact NH2-OE2 2.75Å; R109-E459 PolarHBondContact NH2-OE2 3.06Å; F425-E459 HydrophobicContact CD1-CB 4.42Å; Q455-E459 PolarHBondContact NE2-OE1 2.77Å; Q455-E459 WeakPolarHBondContact O-CG 3.33Å; Q455-E459 PolarHBondContact O-N 3.18Å; L456-E459 PolarHBondContact O-N 2.96Å; T457-E459 VanDerWaalsContact C-N 3.32Å; T457-E459 PolarHBondContact O-N 3.3Å; E459-G462 PolarHBondContact O-N 3.45Å; E459-H463 PolarHBondContact O-CD2 3.06Å; E459-H463 VanDerWaalsContact O-CD2 3.27Å; E459-H463 PolarHBondContact O-N 3.35Å
460	A	98.6	Very high	97.5	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-60	-51	178.6	0	0	0	0	0	111.9	F425 L456 T457 G462 H463 W464	F425-A460 WeakPolarHBondContact O-CA 3.44Å; L456-A460 PolarHBondContact O-N 3.46Å; T457-A460 PolarHBondContact O-N 2.73Å; A460-G462 VanDerWaalsContact C-N 3.32Å; A460-G462 PolarHBondContact O-N 2.84Å; A460-H463 PolarHBondContact O-N 3.49Å; A460-W464 VanDerWaalsContact O-CD1 3.26Å; A460-W464 PolarHBondContact O-N 2.79Å; A460-W464 VanDerWaalsContact O-N 3.08Å
461	I	98.8	Very high	97.5	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-59.9	-43.9	177.2	-65.1	174.1	0	0	0	110.6	T457 H463 W464 F465 L505 A508 L509 L512 F531 L535	T457-I461 HydrophobicContact CG2-CD1 3.79Å; T457-I461 HydrophobicContact CG2-CG1 4.38Å; T457-I461 WeakPolarHBondContact O-CG1 3.44Å; T457-I461 PolarHBondContact O-N 2.78Å; I461-H463 VanDerWaalsContact C-N 3.32Å; I461-H463 PolarHBondContact O-N 2.91Å; I461-W464 PolarHBondContact O-N 3.44Å; I461-F465 HydrophobicContact CG2-CD2 3.74Å; I461-F465 HydrophobicContact CG2-CE2 3.87Å; I461-F465 WeakPolarHBondContact O-CD2 3.24Å; I461-F465 PolarHBondContact O-N 2.75Å; I461-L505 HydrophobicContact CG1-CD2 4.38Å; I461-A508 HydrophobicContact CD1-CB 4.03Å; I461-L509 HydrophobicContact CD1-CD2 4.05Å; I461-L509 HydrophobicContact CD1-CG 4.41Å; I461-L509 HydrophobicContact CG2-CD2 4.37Å; I461-L512 HydrophobicContact CD1-CD1 4.2Å; I461-F531 HydrophobicContact CB-CZ 3.97Å; I461-F531 HydrophobicContact CG2-CE1 4.49Å; I461-F531 HydrophobicContact CG2-CZ 3.82Å; I461-L535 HydrophobicContact CG2-CD1 4.44Å; I461-L535 HydrophobicContact CG2-CD2 4.06Å
462	G	98.6	Very high	97.5	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-58	-42.8	177.5	0	0	0	0	0	112.9	R458 E459 A460 F465 D466	R458-G462 PolarHBondContact O-N 2.72Å; E459-G462 PolarHBondContact O-N 3.45Å; A460-G462 VanDerWaalsContact C-N 3.32Å; A460-G462 PolarHBondContact O-N 2.84Å; G462-F465 PolarHBondContact O-N 2.91Å; G462-D466 WeakPolarHBondContact O-CB 3.38Å; G462-D466 PolarHBondContact O-N 3.08Å
463	H	98.4	Very high	97.5	Very high	3 Å²	3	11.1 Å²	11.1	1%	0.014	6%	0.055	C	C	.	.	H	α-helix	trans	-62.8	-44.2	175	-88.9	-77.5	0	0	0	112.5	L80 T423 L424 E459 A460 I461 F465 D466 L467	L80-H463 HydrophobicContact CD1-CB 4.36Å; L80-H463 WeakPolarHBondContact CD1-CD2 3.24Å; L80-H463 WeakPolarHBondContact CD1-NE2 3.4Å; T423-H463 WeakPolarHBondContact CG2-CE1 3.43Å; T423-H463 PolarHBondContact O-ND1 2.98Å; L424-H463 HydrophobicContact CD1-CB 4.05Å; E459-H463 PolarHBondContact O-CD2 3.06Å; E459-H463 VanDerWaalsContact O-CD2 3.27Å; E459-H463 PolarHBondContact O-N 3.35Å; A460-H463 PolarHBondContact O-N 3.49Å; I461-H463 VanDerWaalsContact C-N 3.32Å; I461-H463 PolarHBondContact O-N 2.91Å; H463-F465 PolarHBondContact O-N 3.31Å; H463-D466 PolarHBondContact O-N 2.84Å; H463-L467 WeakPolarHBondContact O-CG 3.47Å; H463-L467 PolarHBondContact O-N 3.24Å
464	W	98.7	Very high	97.6	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-59.8	-45	177	-84.6	99.1	0	0	0	112.5	L424 T426 F438 L439 E442 A460 I461 L467 I474 Q478 L505	L424-W464 HydrophobicContact CD1-CD2 3.97Å; L424-W464 HydrophobicContact CD1-CG 3.94Å; L424-W464 HydrophobicContact CD2-CH2 4.48Å; L424-W464 HydrophobicContact CD2-CZ2 4.15Å; T426-W464 PolarHBondContact OG1-NE1 3.44Å; F438-W464 VanDerWaalsContact C-CH2 3.47Å; L439-W464 VanDerWaalsContact CA-CH2 3.49Å; L439-W464 HydrophobicContact CB-CE3 4.44Å; L439-W464 HydrophobicContact CB-CH2 4.02Å; L439-W464 HydrophobicContact CB-CZ3 3.74Å; L439-W464 HydrophobicContact CD1-CD2 4.16Å; L439-W464 HydrophobicContact CD1-CE3 3.55Å; L439-W464 HydrophobicContact CD1-CZ3 3.74Å; L439-W464 HydrophobicContact CG-CZ3 4.32Å; L439-W464 VanDerWaalsContact N-CH2 3.31Å; E442-W464 HydrophobicContact CB-CZ2 4.31Å; A460-W464 VanDerWaalsContact O-CD1 3.26Å; A460-W464 PolarHBondContact O-N 2.79Å; A460-W464 VanDerWaalsContact O-N 3.08Å; I461-W464 PolarHBondContact O-N 3.44Å; W464-L467 PolarHBondContact O-N 3.24Å; W464-I474 HydrophobicContact CE3-CG2 3.83Å; W464-I474 HydrophobicContact CZ3-CG2 4.14Å; W464-Q478 HydrophobicContact CE3-CG 4.11Å; W464-Q478 HydrophobicContact CH2-CB 4.3Å; W464-Q478 HydrophobicContact CH2-CG 3.51Å; W464-Q478 HydrophobicContact CZ2-CG 4.4Å; W464-Q478 HydrophobicContact CZ3-CG 3.34Å; W464-L505 HydrophobicContact CB-CD1 4.21Å; W464-L505 HydrophobicContact CG-CD1 4.49Å
465	F	98.6	Very high	97.6	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-75.2	-24.3	-179.4	-84.2	-91.4	0	0	0	113.9	V79 I461 G462 H463 L467 M468 I474 L505 L535 R538 L539 W542	V79-F465 HydrophobicContact CG2-CB 4.11Å; I461-F465 HydrophobicContact CG2-CD2 3.74Å; I461-F465 HydrophobicContact CG2-CE2 3.87Å; I461-F465 WeakPolarHBondContact O-CD2 3.24Å; I461-F465 PolarHBondContact O-N 2.75Å; G462-F465 PolarHBondContact O-N 2.91Å; H463-F465 PolarHBondContact O-N 3.31Å; F465-L467 PolarHBondContact O-N 2.92Å; F465-M468 HydrophobicContact CD1-SD 4.41Å; F465-M468 VanDerWaalsContact O-CB 3.25Å; F465-M468 WeakPolarHBondContact O-CB 3.42Å; F465-M468 PolarHBondContact O-N 2.89Å; F465-I474 HydrophobicContact CD1-CD1 4.41Å; F465-L505 HydrophobicContact CD2-CD1 4.46Å; F465-L505 HydrophobicContact CE2-CD1 3.86Å; F465-L535 HydrophobicContact CB-CD1 3.67Å; F465-L535 HydrophobicContact CD1-CD1 3.84Å; F465-L535 HydrophobicContact CD2-CD1 3.58Å; F465-L535 HydrophobicContact CE1-CD1 4.36Å; F465-L535 HydrophobicContact CE2-CD1 4.13Å; F465-L535 HydrophobicContact CG-CD1 3.4Å; F465-L535 HydrophobicContact CZ-CD1 4.49Å; F465-R538 HydrophobicContact CD1-CB 3.97Å; F465-R538 PolarHBondContact O-NH1 3.17Å; F465-L539 HydrophobicContact CE1-CB 4.38Å; F465-L539 HydrophobicContact CE1-CD1 3.72Å; F465-L539 HydrophobicContact CE2-CD1 4.34Å; F465-L539 HydrophobicContact CZ-CD1 3.39Å; F465-W542 HydrophobicContact CE1-CB 3.84Å; F465-W542 AromaticContact CE1-CD2 3.96Å; F465-W542 HydrophobicContact CE1-CD2 3.96Å; F465-W542 AromaticContact CE1-CE3 3.91Å; F465-W542 HydrophobicContact CE1-CE3 3.91Å; F465-W542 AromaticContact CE1-CG 3.97Å; F465-W542 HydrophobicContact CE1-CG 3.97Å; F465-W542 AromaticContact CZ-CD2 3.91Å; F465-W542 HydrophobicContact CZ-CD2 3.91Å; F465-W542 AromaticContact CZ-CE3 3.54Å; F465-W542 HydrophobicContact CZ-CE3 3.54Å; F465-W542 HydrophobicContact CZ-CG 4.41Å; F465-W542 AromaticContact CZ-CZ3 3.86Å; F465-W542 HydrophobicContact CZ-CZ3 3.86Å
466	D	97.8	Very high	97.7	Very high	10 Å²	10	8.3 Å²	8.3	5%	0.053	4%	0.039	C	C	.	.	H	α-helix	trans	-68.2	-22.7	172.6	-87.9	-4.8	0	0	0	112.7	R78 V79 G462 H463 M468 R538	R78-D466 VanDerWaalsContact CA-OD1 3.31Å; R78-D466 WeakPolarHBondContact CA-OD1 3.49Å; R78-D466 WeakPolarHBondContact CB-OD1 3.33Å; R78-D466 IonicContact CZ-OD2 3.67Å; R78-D466 VanDerWaalsContact CZ-OD2 3.28Å; R78-D466 IonicContact NE-OD2 3.78Å; R78-D466 PolarHBondContact NE-OD2 3.15Å; R78-D466 IonicContact NH2-OD2 2.87Å; R78-D466 PolarHBondContact NH2-OD2 2.71Å; V79-D466 PolarHBondContact N-OD1 3.14Å; G462-D466 WeakPolarHBondContact O-CB 3.38Å; G462-D466 PolarHBondContact O-N 3.08Å; H463-D466 PolarHBondContact O-N 2.84Å; D466-M468 VanDerWaalsContact C-N 3.3Å; D466-R538 IonicContact OD1-NE 2.76Å
467	L	96.9	Very high	97.7	Very high	6 Å²	6	8.6 Å²	8.6	3%	0.031	4%	0.04	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-5.2	175.4	-63.3	173.1	0	0	0	113.7	Y419 L424 H463 W464 F465 Q478 L480	Y419-L467 WeakPolarHBondContact CE1-O 3.41Å; Y419-L467 PolarHBondContact OH-O 2.91Å; L424-L467 HydrophobicContact CB-CD1 4.13Å; L424-L467 HydrophobicContact CD1-CD1 4.01Å; L424-L467 HydrophobicContact CD2-CD1 4.47Å; L424-L467 HydrophobicContact CG-CD1 4.44Å; H463-L467 WeakPolarHBondContact O-CG 3.47Å; H463-L467 PolarHBondContact O-N 3.24Å; W464-L467 PolarHBondContact O-N 3.24Å; F465-L467 PolarHBondContact O-N 2.92Å; L467-Q478 HydrophobicContact CD1-CG 4.42Å; L467-L480 HydrophobicContact CD1-CD1 4.35Å
468	M	97.7	Very high	97.6	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	4%	0.04	C	C	.	.			trans	-67.2	138.6	-175.9	-167.9	179	73.9	0	0	112.7	H74 F465 D466 I474 R538 W542	H74-M468 HydrophobicContact CB-CE 3.72Å; H74-M468 WeakPolarHBondContact CD2-CE 3.5Å; H74-M468 PolarHBondContact N-O 3.01Å; F465-M468 HydrophobicContact CD1-SD 4.41Å; F465-M468 VanDerWaalsContact O-CB 3.25Å; F465-M468 WeakPolarHBondContact O-CB 3.42Å; F465-M468 PolarHBondContact O-N 2.89Å; D466-M468 VanDerWaalsContact C-N 3.3Å; M468-I474 HydrophobicContact CB-CD1 4.26Å; M468-I474 HydrophobicContact CB-CG1 3.79Å; M468-I474 HydrophobicContact CG-CD1 4.34Å; M468-I474 HydrophobicContact CG-CG1 3.74Å; M468-I474 HydrophobicContact SD-CG1 4.5Å; M468-R538 HydrophobicContact CE-CB 3.59Å; M468-R538 HydrophobicContact CE-CG 3.83Å; M468-R538 WeakPolarHBondContact CE-O 3.34Å; M468-R538 HydrophobicContact SD-CB 4.45Å; M468-W542 HydrophobicContact SD-CB 3.83Å; M468-W542 HydrophobicContact SD-CG 4.48Å
469	N	97.2	Very high	97.6	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	4%	0.041	C	C	.	.	B	Isolated β-bridge	trans	-79.8	173.9	176.4	83.7	-3.6	0	0	0	111.8	T72 Y419 E471 G472 W473	T72-N469 CarbonylContact O-C 3.48Å; T72-N469 VanDerWaalsContact O-CA 3.29Å; T72-N469 WeakPolarHBondContact O-CA 3.45Å; T72-N469 WeakPolarHBondContact O-CB 3.38Å; Y419-N469 HydrophobicContact CE2-CB 4.08Å; Y419-N469 VanDerWaalsContact OH-CA 3.28Å; Y419-N469 WeakPolarHBondContact OH-CA 3.37Å; Y419-N469 VanDerWaalsContact OH-CB 3.26Å; Y419-N469 WeakPolarHBondContact OH-CB 3.3Å; Y419-N469 PolarHBondContact OH-N 3.45Å; Y419-N469 VanDerWaalsContact OH-N 3.08Å; N469-E471 PolarHBondContact ND2-OE2 2.97Å; N469-E471 PolarHBondContact O-N 3.25Å; N469-E471 VanDerWaalsContact O-N 3.15Å; N469-E471 WeakPolarHBondContact OD1-CA 3.35Å; N469-E471 VanDerWaalsContact OD1-CB 3.29Å; N469-E471 WeakPolarHBondContact OD1-CB 3.35Å; N469-E471 PolarHBondContact OD1-N 3.4Å; N469-G472 PolarHBondContact O-N 3.08Å; N469-G472 VanDerWaalsContact O-N 3.08Å; N469-G472 PolarHBondContact OD1-N 3.22Å; N469-G472 VanDerWaalsContact OD1-N 3.15Å; N469-W473 PolarHBondContact N-O 2.96Å; N469-W473 PolarHBondContact OD1-N 3.32Å; N469-W473 PolarHBondContact OD1-O 3.27Å
470	I	97.1	Very high	97.5	Very high	51 Å²	51	8.2 Å²	8.2	26%	0.262	4%	0.039	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-18.1	179.5	-167.8	162.9	0	0	0	113.9	R69 T72 G472	R69-I470 HydrophobicContact CB-CG2 3.89Å; R69-I470 HydrophobicContact CG-CG2 4.2Å; R69-I470 WeakPolarHBondContact O-CG2 3.33Å; T72-I470 HydrophobicContact CG2-CB 4.13Å; T72-I470 HydrophobicContact CG2-CD1 4.04Å; T72-I470 HydrophobicContact CG2-CG2 4.25Å; T72-I470 PolarHBondContact O-N 3.3Å; I470-G472 VanDerWaalsContact C-N 3.35Å
471	E	95.9	Very high	97.1	Very high	38 Å²	38	9 Å²	9	18%	0.178	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-14.9	178.4	-51.8	179.4	132.6	0	0	112	R69 N469 N497 W545	R69-E471 HydrophobicContact CB-CG 4.03Å; R69-E471 WeakPolarHBondContact CB-OE1 3.35Å; R69-E471 IonicContact NE-OE1 3.55Å; R69-E471 PolarHBondContact NE-OE1 2.89Å; N469-E471 PolarHBondContact ND2-OE2 2.97Å; N469-E471 PolarHBondContact O-N 3.25Å; N469-E471 VanDerWaalsContact O-N 3.15Å; N469-E471 WeakPolarHBondContact OD1-CA 3.35Å; N469-E471 VanDerWaalsContact OD1-CB 3.29Å; N469-E471 WeakPolarHBondContact OD1-CB 3.35Å; N469-E471 PolarHBondContact OD1-N 3.4Å; E471-N497 PolarHBondContact OE2-ND2 3.23Å; E471-W545 WeakPolarHBondContact O-CB 3.26Å
472	G	97.6	Very high	96.7	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.061	C	C	.	.	S	Bend	trans	91.1	11.7	-170	0	0	0	0	0	113.4	N469 I470 W542	N469-G472 PolarHBondContact O-N 3.08Å; N469-G472 VanDerWaalsContact O-N 3.08Å; N469-G472 PolarHBondContact OD1-N 3.22Å; N469-G472 VanDerWaalsContact OD1-N 3.15Å; I470-G472 VanDerWaalsContact C-N 3.35Å; G472-W542 VanDerWaalsContact O-CD1 3.24Å
473	W	98.1	Very high	96.3	Very high	2 Å²	2	13.3 Å²	13.3	1%	0.008	7%	0.069	C	C	.	.			trans	-90.2	142.3	177.3	173.9	74.8	0	0	0	111.8	V70 V408 N469 P475 Q495 R496 N497 N499 W545	V70-W473 HydrophobicContact CG2-CZ3 4.28Å; V408-W473 HydrophobicContact CB-CH2 4.27Å; V408-W473 HydrophobicContact CB-CZ3 4.35Å; V408-W473 HydrophobicContact CG1-CH2 3.8Å; V408-W473 HydrophobicContact CG1-CZ3 3.9Å; N469-W473 PolarHBondContact N-O 2.96Å; N469-W473 PolarHBondContact OD1-N 3.32Å; N469-W473 PolarHBondContact OD1-O 3.27Å; W473-P475 HydrophobicContact CE3-CG 4.35Å; W473-P475 HydrophobicContact CH2-CB 3.87Å; W473-P475 HydrophobicContact CH2-CG 3.55Å; W473-P475 HydrophobicContact CZ2-CB 3.93Å; W473-P475 HydrophobicContact CZ2-CG 4.03Å; W473-P475 HydrophobicContact CZ3-CG 3.72Å; W473-Q495 HydrophobicContact CH2-CB 3.89Å; W473-Q495 HydrophobicContact CZ2-CB 4.04Å; W473-R496 WeakPolarHBondContact CZ2-O 3.34Å; W473-N497 HydrophobicContact CD2-CB 3.73Å; W473-N497 VanDerWaalsContact CE2-CA 3.48Å; W473-N497 HydrophobicContact CE3-CB 3.82Å; W473-N497 HydrophobicContact CG-CB 4.1Å; W473-N497 HydrophobicContact CH2-CB 4.42Å; W473-N497 HydrophobicContact CZ2-CB 4.38Å; W473-N497 HydrophobicContact CZ3-CB 4.16Å; W473-N499 PolarHBondContact NE1-O 3.22Å; W473-W545 HydrophobicContact CB-CD2 4.38Å; W473-W545 HydrophobicContact CB-CZ2 4.17Å; W473-W545 AromaticContact CD1-CH2 3.71Å; W473-W545 AromaticContact CD1-CZ2 3.5Å; W473-W545 VanDerWaalsContact CD1-CZ2 3.5Å; W473-W545 HydrophobicContact CG-CZ2 4.16Å
474	I	97.8	Very high	96.1	Very high	5 Å²	5	13.4 Å²	13.4	3%	0.026	7%	0.07	C	C	.	.			trans	-124.6	126.2	172.5	-57.6	176	0	0	0	107.1	L439 W464 F465 M468 R476	L439-I474 HydrophobicContact CD1-CG2 4.18Å; L439-I474 HydrophobicContact CD2-CB 4.21Å; L439-I474 HydrophobicContact CD2-CG2 4.32Å; W464-I474 HydrophobicContact CE3-CG2 3.83Å; W464-I474 HydrophobicContact CZ3-CG2 4.14Å; F465-I474 HydrophobicContact CD1-CD1 4.41Å; M468-I474 HydrophobicContact CB-CD1 4.26Å; M468-I474 HydrophobicContact CB-CG1 3.79Å; M468-I474 HydrophobicContact CG-CD1 4.34Å; M468-I474 HydrophobicContact CG-CG1 3.74Å; M468-I474 HydrophobicContact SD-CG1 4.5Å; I474-R476 PolarHBondContact O-N 3.4Å
475	P	96.4	Very high	95.8	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.006	8%	0.081	C	C	.	.			trans	-54.2	131	173.5	-18.6	23.1	0	0	0	112.1	W473 E477 Q478 Q495	W473-P475 HydrophobicContact CE3-CG 4.35Å; W473-P475 HydrophobicContact CH2-CB 3.87Å; W473-P475 HydrophobicContact CH2-CG 3.55Å; W473-P475 HydrophobicContact CZ2-CB 3.93Å; W473-P475 HydrophobicContact CZ2-CG 4.03Å; W473-P475 HydrophobicContact CZ3-CG 3.72Å; P475-E477 PolarHBondContact O-N 2.85Å; P475-Q478 PolarHBondContact O-NE2 3.25Å; P475-Q495 HydrophobicContact CB-CB 4.04Å; P475-Q495 HydrophobicContact CB-CG 3.98Å
476	R	96.1	Very high	95.4	Very high	34 Å²	34	19.6 Å²	19.6	13%	0.128	11%	0.105	C	C	.	.	S	Bend	trans	-62.8	-30.1	-178.4	68	178.1	-75.5	-79.4	10.3	113.2	F438 L439 I474 N501	F438-R476 WeakPolarHBondContact CA-O 3.16Å; L439-R476 PolarHBondContact N-O 3.26Å; I474-R476 PolarHBondContact O-N 3.4Å; R476-N501 HydrophobicContact CB-CB 4.02Å
477	E	96.9	Very high	95.1	Very high	9 Å²	9	21.7 Å²	21.7	4%	0.042	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	117.4	-177.7	-171	172.5	169.2	0	0	108.9	R436 F438 P475 I479	R436-E477 IonicContact CZ-OE1 3.99Å; R436-E477 IonicContact NE-OE1 2.68Å; R436-E477 PolarHBondContact NE-OE1 3.27Å; R436-E477 IonicContact NH2-OE1 2.82Å; R436-E477 PolarHBondContact NH2-OE1 3.44Å; F438-E477 HydrophobicContact CD1-CB 4.4Å; F438-E477 HydrophobicContact CD1-CG 4.15Å; F438-E477 HydrophobicContact CE1-CB 4.25Å; F438-E477 VanDerWaalsContact CE1-CD 3.43Å; F438-E477 HydrophobicContact CE1-CG 3.65Å; F438-E477 HydrophobicContact CE2-CG 4.24Å; F438-E477 VanDerWaalsContact CZ-CD 3.45Å; F438-E477 HydrophobicContact CZ-CG 3.71Å; F438-E477 WeakPolarHBondContact CZ-OE1 3.44Å; P475-E477 PolarHBondContact O-N 2.85Å; E477-I479 HydrophobicContact CG-CD1 4.32Å; E477-I479 HydrophobicContact CG-CG1 4.06Å; E477-I479 PolarHBondContact O-N 3.4Å
478	Q	97.1	Very high	94.8	Very high	1 Å²	1	22 Å²	22	1%	0.005	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	92.2	-172.2	-68.6	-70	-19.3	0	0	110.3	L424 G437 W464 L467 P475 L480	L424-Q478 HydrophobicContact CD2-CB 3.4Å; L424-Q478 HydrophobicContact CD2-CG 3.69Å; G437-Q478 PolarHBondContact O-N 2.88Å; W464-Q478 HydrophobicContact CE3-CG 4.11Å; W464-Q478 HydrophobicContact CH2-CB 4.3Å; W464-Q478 HydrophobicContact CH2-CG 3.51Å; W464-Q478 HydrophobicContact CZ2-CG 4.4Å; W464-Q478 HydrophobicContact CZ3-CG 3.34Å; L467-Q478 HydrophobicContact CD1-CG 4.42Å; P475-Q478 PolarHBondContact O-NE2 3.25Å; Q478-L480 HydrophobicContact CB-CG 4.41Å; Q478-L480 PolarHBondContact O-N 2.84Å
479	I	97	Very high	94.4	Very high	6 Å²	6	25.1 Å²	25.1	3%	0.031	14%	0.136	C	C	.	.			trans	-97.9	82.7	-179.1	-50.2	164.2	0	0	0	108.5	E477 A484 R485 V488	E477-I479 HydrophobicContact CG-CD1 4.32Å; E477-I479 HydrophobicContact CG-CG1 4.06Å; E477-I479 PolarHBondContact O-N 3.4Å; I479-A484 HydrophobicContact CG2-CB 4.14Å; I479-R485 HydrophobicContact CG2-CB 4.23Å; I479-R485 HydrophobicContact CG2-CG 3.61Å; I479-V488 HydrophobicContact CD1-CB 4.38Å; I479-V488 HydrophobicContact CD1-CG1 3.94Å; I479-V488 HydrophobicContact CD1-CG2 4.13Å; I479-V488 HydrophobicContact CG1-CG2 4.22Å; I479-V488 HydrophobicContact CG2-CG2 4.15Å
480	L	95.9	Very high	93.9	Very high	7 Å²	7	28.8 Å²	28.8	4%	0.037	17%	0.166	C	C	.	.			trans	-105.1	113.7	-172.3	-55.4	178.2	0	0	0	111.1	F402 S406 L424 L467 Q478	F402-L480 HydrophobicContact CB-CB 4Å; F402-L480 HydrophobicContact CB-CD1 4.26Å; S406-L480 VanDerWaalsContact OG-CD2 3.24Å; S406-L480 WeakPolarHBondContact OG-CD2 3.38Å; L424-L480 HydrophobicContact CB-CD1 3.6Å; L424-L480 HydrophobicContact CD2-CD1 4.4Å; L467-L480 HydrophobicContact CD1-CD1 4.35Å; Q478-L480 HydrophobicContact CB-CG 4.41Å; Q478-L480 PolarHBondContact O-N 2.84Å
481	G	91.1	Very high	93.3	Very high	16 Å²	16	33 Å²	33	17%	0.165	18%	0.184	C	C	.	.	S	Bend	trans	87.2	164.9	178.4	0	0	0	0	0	114.2	E483 A484 R485	G481-E483 PolarHBondContact O-N 2.99Å; G481-A484 PolarHBondContact O-N 2.91Å; G481-R485 WeakPolarHBondContact O-CG 3.5Å; G481-R485 PolarHBondContact O-N 2.9Å; G481-R485 VanDerWaalsContact O-N 3.07Å
482	D	90.4	Very high	92.9	Very high	57 Å²	57	36.3 Å²	36.3	31%	0.305	20%	0.198	S	C	.	.	H	α-helix	trans	-70.3	-31.6	-170.7	-67.9	-19.4	0	0	0	113	E268 R315 A484 R485 S486	E268-D482 HydrophobicContact CG-CB 4.39Å; R315-D482 IonicContact NH1-OD2 2.87Å; R315-D482 PolarHBondContact NH1-OD2 3.49Å; D482-A484 VanDerWaalsContact C-N 3.34Å; D482-A484 PolarHBondContact O-N 3.43Å; D482-R485 PolarHBondContact O-N 3.03Å; D482-R485 IonicContact OD1-CZ 3.53Å; D482-R485 IonicContact OD1-NH1 2.73Å; D482-R485 PolarHBondContact OD1-NH1 3.44Å; D482-S486 WeakPolarHBondContact O-CB 3.49Å; D482-S486 PolarHBondContact O-N 3.36Å
483	E	90.3	Very high	92.7	Very high	33 Å²	33	38 Å²	38	15%	0.154	21%	0.207	C	C	.	.	H	α-helix	trans	-57.8	-47	171.9	-69.9	-164.8	90.3	0	0	111.3	R99 Q101 L267 G481 S486	R99-E483 IonicContact CZ-OE1 2.92Å; R99-E483 IonicContact NE-OE1 3.82Å; R99-E483 IonicContact NE-OE2 3.83Å; R99-E483 IonicContact NH2-OE1 3.87Å; R99-E483 PolarHBondContact NH2-OE1 2.85Å; R99-E483 IonicContact NH2-OE2 3.61Å; Q101-E483 VanDerWaalsContact NE2-CD 3.29Å; Q101-E483 PolarHBondContact NE2-OE1 2.95Å; L267-E483 VanDerWaalsContact CB-CD 3.45Å; L267-E483 HydrophobicContact CB-CG 3.57Å; L267-E483 WeakPolarHBondContact CD1-OE2 3.14Å; G481-E483 PolarHBondContact O-N 2.99Å; E483-S486 PolarHBondContact O-N 3.26Å; E483-S486 PolarHBondContact O-OG 3.41Å
484	A	93.2	Very high	92.6	Very high	6 Å²	6	40 Å²	40	5%	0.05	22%	0.219	C	C	.	.	H	α-helix	trans	-67	-45.5	178.8	0	0	0	0	0	111.2	I479 G481 D482 S486 K487	I479-A484 HydrophobicContact CG2-CB 4.14Å; G481-A484 PolarHBondContact O-N 2.91Å; D482-A484 VanDerWaalsContact C-N 3.34Å; D482-A484 PolarHBondContact O-N 3.43Å; A484-S486 VanDerWaalsContact C-N 3.26Å; A484-S486 PolarHBondContact O-N 3.46Å; A484-K487 PolarHBondContact O-N 2.92Å; A484-K487 VanDerWaalsContact O-N 3.1Å
485	R	93.5	Very high	92.5	Very high	60 Å²	60	40.4 Å²	40.4	23%	0.226	22%	0.221	C	C	.	.	H	α-helix	trans	-59.1	-35.8	178.6	-68	171.8	-169.5	163.1	-6.2	112.5	E405 I479 G481 D482 K487 V488	E405-R485 PolarHBondContact O-NH2 3.27Å; I479-R485 HydrophobicContact CG2-CB 4.23Å; I479-R485 HydrophobicContact CG2-CG 3.61Å; G481-R485 WeakPolarHBondContact O-CG 3.5Å; G481-R485 PolarHBondContact O-N 2.9Å; G481-R485 VanDerWaalsContact O-N 3.07Å; D482-R485 PolarHBondContact O-N 3.03Å; D482-R485 IonicContact OD1-CZ 3.53Å; D482-R485 IonicContact OD1-NH1 2.73Å; D482-R485 PolarHBondContact OD1-NH1 3.44Å; R485-K487 PolarHBondContact O-N 3.11Å; R485-K487 VanDerWaalsContact O-N 3.09Å; R485-V488 PolarHBondContact O-N 3Å; R485-V488 VanDerWaalsContact O-N 3.08Å
486	S	90.4	Very high	92.5	Very high	70 Å²	70	45.2 Å²	45.2	49%	0.49	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-17.2	178.9	77.8	0	0	0	0	114.1	D482 E483 A484	D482-S486 WeakPolarHBondContact O-CB 3.49Å; D482-S486 PolarHBondContact O-N 3.36Å; E483-S486 PolarHBondContact O-N 3.26Å; E483-S486 PolarHBondContact O-OG 3.41Å; A484-S486 VanDerWaalsContact C-N 3.26Å; A484-S486 PolarHBondContact O-N 3.46Å
487	K	90.6	Very high	92.4	Very high	54 Å²	54	44.5 Å²	44.5	24%	0.235	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	6.2	179.2	-60.6	-61.2	-177.6	-172.9	0	113.6	T134 E136 P435 A484 R485	T134-K487 PolarHBondContact OG1-NZ 3.32Å; E136-K487 IonicContact OE1-NZ 3.39Å; E136-K487 PolarHBondContact OE1-NZ 2.99Å; E136-K487 IonicContact OE2-NZ 3.54Å; P435-K487 HydrophobicContact CG-CB 4.34Å; P435-K487 HydrophobicContact CG-CG 4.13Å; A484-K487 PolarHBondContact O-N 2.92Å; A484-K487 VanDerWaalsContact O-N 3.1Å; R485-K487 PolarHBondContact O-N 3.11Å; R485-K487 VanDerWaalsContact O-N 3.09Å
488	V	90.4	Very high	92.3	Very high	12 Å²	12	47.7 Å²	47.7	7%	0.073	25%	0.253	C	S	.	.	S	Bend	trans	-125.1	126.1	-175.7	-169.2	0	0	0	0	110.3	R436 I479 R485 F492 I493	R436-V488 VanDerWaalsContact CZ-CG2 3.48Å; I479-V488 HydrophobicContact CD1-CB 4.38Å; I479-V488 HydrophobicContact CD1-CG1 3.94Å; I479-V488 HydrophobicContact CD1-CG2 4.13Å; I479-V488 HydrophobicContact CG1-CG2 4.22Å; I479-V488 HydrophobicContact CG2-CG2 4.15Å; R485-V488 PolarHBondContact O-N 3Å; R485-V488 VanDerWaalsContact O-N 3.08Å; V488-F492 HydrophobicContact CG1-CB 3.8Å; V488-I493 HydrophobicContact CB-CG1 4.25Å; V488-I493 HydrophobicContact CG1-CG1 4.1Å
489	P	88.6	Confident	92.2	Very high	66 Å²	66	49.1 Å²	49.1	43%	0.429	26%	0.26	S	S	.	.			trans	-56.4	145.2	169.4	-23.5	33.3	0	0	0	111.8	E491 F492	P489-E491 VanDerWaalsContact CB-CD 3.43Å; P489-E491 HydrophobicContact CB-CG 4.36Å; P489-E491 WeakPolarHBondContact CB-OE2 3.11Å; P489-E491 PolarHBondContact O-N 2.45Å; P489-E491 VanDerWaalsContact O-N 3.11Å; P489-F492 HydrophobicContact CB-CD2 3.89Å; P489-F492 HydrophobicContact CB-CE2 4.25Å; P489-F492 HydrophobicContact CG-CD2 4.01Å; P489-F492 HydrophobicContact CG-CE2 4.27Å; P489-F492 PolarHBondContact O-N 2.9Å
490	A	87.8	Confident	92.2	Very high	77 Å²	77	49 Å²	49	64%	0.636	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-58.1	-32.7	-169.8	0	0	0	0	0	113.5	F492 I493	A490-F492 VanDerWaalsContact C-N 3.26Å; A490-F492 PolarHBondContact O-N 3.32Å; A490-I493 PolarHBondContact O-N 2.82Å
491	E	83.6	Confident	92.3	Very high	139 Å²	139	48.7 Å²	48.7	65%	0.65	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-65.3	-22.7	179.6	62.7	-91.3	-145.8	0	0	114.3	P489	P489-E491 VanDerWaalsContact CB-CD 3.43Å; P489-E491 HydrophobicContact CB-CG 4.36Å; P489-E491 WeakPolarHBondContact CB-OE2 3.11Å; P489-E491 PolarHBondContact O-N 2.45Å; P489-E491 VanDerWaalsContact O-N 3.11Å
492	F	88.1	Confident	92.7	Very high	107 Å²	107	48 Å²	48	47%	0.469	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-100.8	-3.1	-179	-57.5	-61.9	0	0	0	113.5	V488 P489 A490 Q495	V488-F492 HydrophobicContact CG1-CB 3.8Å; P489-F492 HydrophobicContact CB-CD2 3.89Å; P489-F492 HydrophobicContact CB-CE2 4.25Å; P489-F492 HydrophobicContact CG-CD2 4.01Å; P489-F492 HydrophobicContact CG-CE2 4.27Å; P489-F492 PolarHBondContact O-N 2.9Å; A490-F492 VanDerWaalsContact C-N 3.26Å; A490-F492 PolarHBondContact O-N 3.32Å; F492-Q495 PolarHBondContact O-NE2 3.15Å
493	I	93.4	Very high	93.1	Very high	35 Å²	35	45.3 Å²	45.3	18%	0.179	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-42.4	-176.5	-65.8	179	0	0	0	111.4	V407 V488 A490 Q495	V407-I493 HydrophobicContact CB-CG2 3.94Å; V407-I493 HydrophobicContact CG2-CG2 3.78Å; V488-I493 HydrophobicContact CB-CG1 4.25Å; V488-I493 HydrophobicContact CG1-CG1 4.1Å; A490-I493 PolarHBondContact O-N 2.82Å; I493-Q495 PolarHBondContact O-N 2.84Å; I493-Q495 PolarHBondContact O-NE2 3.32Å; I493-Q495 VanDerWaalsContact O-NE2 3.14Å
494	V	95.9	Very high	93.5	Very high	45 Å²	45	43.8 Å²	43.8	27%	0.273	23%	0.23	S	C	.	.			trans	-76.8	118.6	-173.1	-175.9	0	0	0	0	111.3	V407 Q409 P416	V407-V494 HydrophobicContact CG1-CG2 3.99Å; Q409-V494 HydrophobicContact CB-CG1 3.74Å; P416-V494 HydrophobicContact CB-CG1 4.2Å; P416-V494 HydrophobicContact CB-CG2 4.19Å; P416-V494 HydrophobicContact CG-CG1 4.15Å; P416-V494 HydrophobicContact CG-CG2 3.88Å
495	Q	96.1	Very high	93.8	Very high	14 Å²	14	43.6 Å²	43.6	7%	0.065	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	139.9	176.9	-52.6	-56.4	-56.3	0	0	111	V407 V408 Q409 W473 P475 F492 I493	V407-Q495 PolarHBondContact O-N 3.18Å; V408-Q495 CarbonylContact C-O 3.57Å; V408-Q495 VanDerWaalsContact CA-O 3.27Å; V408-Q495 WeakPolarHBondContact CA-O 3.32Å; V408-Q495 HydrophobicContact CG1-CB 4.43Å; Q409-Q495 PolarHBondContact N-O 3.08Å; W473-Q495 HydrophobicContact CH2-CB 3.89Å; W473-Q495 HydrophobicContact CZ2-CB 4.04Å; P475-Q495 HydrophobicContact CB-CB 4.04Å; P475-Q495 HydrophobicContact CB-CG 3.98Å; F492-Q495 PolarHBondContact O-NE2 3.15Å; I493-Q495 PolarHBondContact O-N 2.84Å; I493-Q495 PolarHBondContact O-NE2 3.32Å; I493-Q495 VanDerWaalsContact O-NE2 3.14Å
496	R	95.6	Very high	94	Very high	102 Å²	102	40.8 Å²	40.8	39%	0.385	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	132.5	-177.8	-62.9	-175.8	-179.5	-77	-10.1	111.5	Q409 W473 E498 N499	Q409-R496 WeakPolarHBondContact O-CA 3.13Å; Q409-R496 VanDerWaalsContact OE1-NH1 3.09Å; W473-R496 WeakPolarHBondContact CZ2-O 3.34Å; R496-E498 HydrophobicContact CB-CG 4.38Å; R496-E498 PolarHBondContact O-N 3.41Å; R496-N499 HydrophobicContact CB-CB 4.43Å; R496-N499 VanDerWaalsContact O-CB 3.31Å; R496-N499 WeakPolarHBondContact O-CB 3.49Å; R496-N499 PolarHBondContact O-N 2.85Å
497	N	95.1	Very high	94.4	Very high	18 Å²	18	37.6 Å²	37.6	10%	0.096	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-2.6	-176.2	73.7	-31.9	0	0	0	115.4	V70 S410 E471 W473 W545	V70-N497 HydrophobicContact CG2-CB 3.77Å; S410-N497 VanDerWaalsContact CA-OD1 3.22Å; S410-N497 WeakPolarHBondContact CA-OD1 3.31Å; S410-N497 WeakPolarHBondContact CB-OD1 3.31Å; E471-N497 PolarHBondContact OE2-ND2 3.23Å; W473-N497 HydrophobicContact CD2-CB 3.73Å; W473-N497 VanDerWaalsContact CE2-CA 3.48Å; W473-N497 HydrophobicContact CE3-CB 3.82Å; W473-N497 HydrophobicContact CG-CB 4.1Å; W473-N497 HydrophobicContact CH2-CB 4.42Å; W473-N497 HydrophobicContact CZ2-CB 4.38Å; W473-N497 HydrophobicContact CZ3-CB 4.16Å; N497-W545 VanDerWaalsContact O-CZ2 3.3Å; N497-W545 WeakPolarHBondContact O-CZ2 3.48Å
498	E	94.8	Very high	94.8	Very high	76 Å²	76	35 Å²	35	36%	0.355	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-19.6	164.7	65.4	-176.7	156.2	0	0	112.1	R496 A500 Q550 R561	R496-E498 HydrophobicContact CB-CG 4.38Å; R496-E498 PolarHBondContact O-N 3.41Å; E498-A500 PolarHBondContact O-N 2.93Å; E498-Q550 PolarHBondContact O-NE2 3.22Å; E498-R561 HydrophobicContact CB-CB 4.44Å; E498-R561 WeakPolarHBondContact O-CB 3.38Å
499	N	95.6	Very high	95.1	Very high	31 Å²	31	34.4 Å²	34.4	17%	0.166	18%	0.18	C	C	.	.			trans	-83.7	113.2	-174.9	-71.8	4.8	0	0	0	110.7	W473 R496 G562 T577	W473-N499 PolarHBondContact NE1-O 3.22Å; R496-N499 HydrophobicContact CB-CB 4.43Å; R496-N499 VanDerWaalsContact O-CB 3.31Å; R496-N499 WeakPolarHBondContact O-CB 3.49Å; R496-N499 PolarHBondContact O-N 2.85Å; N499-G562 VanDerWaalsContact OD1-CA 3.26Å; N499-G562 WeakPolarHBondContact OD1-CA 3.2Å; N499-T577 HydrophobicContact CB-CG2 3.51Å
500	A	97	Very high	95.6	Very high	3 Å²	3	33.4 Å²	33.4	3%	0.025	17%	0.17	C	C	.	.			trans	-86.2	-179.7	172.8	0	0	0	0	0	112.4	E498 W545 Y546 Q550 W560 T577	E498-A500 PolarHBondContact O-N 2.93Å; A500-W545 HydrophobicContact CB-CH2 3.61Å; A500-W545 HydrophobicContact CB-CZ3 3.68Å; A500-Y546 HydrophobicContact CB-CD1 4.39Å; A500-Y546 HydrophobicContact CB-CE1 3.7Å; A500-Q550 HydrophobicContact CB-CG 4.11Å; A500-W560 HydrophobicContact CB-CE3 4Å; A500-W560 HydrophobicContact CB-CZ3 3.64Å; A500-T577 WeakPolarHBondContact O-CA 3.4Å; A500-T577 WeakPolarHBondContact O-CB 3.37Å
501	N	97.9	Very high	96	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	14%	0.141	C	C	.	.			trans	-143.6	161.9	166.2	-144.3	-171.2	0	0	0	109.8	L439 W440 R476 Y546 T577	L439-N501 HydrophobicContact CD2-CB 4.23Å; W440-N501 HydrophobicContact CB-CB 4.4Å; W440-N501 WeakPolarHBondContact CB-OD1 3.48Å; W440-N501 PolarHBondContact N-OD1 3.19Å; R476-N501 HydrophobicContact CB-CB 4.02Å; N501-Y546 PolarHBondContact N-OH 3.08Å; N501-Y546 VanDerWaalsContact O-CE1 3.28Å; N501-Y546 WeakPolarHBondContact O-CE1 3.11Å; N501-Y546 PolarHBondContact O-OH 3.43Å; N501-T577 VanDerWaalsContact CA-O 3.25Å; N501-T577 WeakPolarHBondContact CA-O 3.41Å; N501-T577 PolarHBondContact ND2-O 3.3Å
502	P	98.7	Very high	96.6	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.013	11%	0.11	C	C	.	.			trans	-53.3	130.1	170.9	-32.3	40.4	0	0	0	111.6	W440 T504 W560 S578 W601	W440-P502 HydrophobicContact CB-CB 4.1Å; W440-P502 HydrophobicContact CB-CG 4.37Å; W440-P502 WeakPolarHBondContact CB-O 3.28Å; W440-P502 HydrophobicContact CE3-CB 4.36Å; W440-P502 HydrophobicContact CE3-CG 4.19Å; P502-T504 HydrophobicContact CB-CG2 3.95Å; P502-T504 PolarHBondContact O-N 2.76Å; P502-W560 HydrophobicContact CG-CH2 4.17Å; P502-W560 HydrophobicContact CG-CZ2 4.3Å; P502-S578 WeakPolarHBondContact CD-O 3.4Å; P502-S578 WeakPolarHBondContact CG-O 3.38Å; P502-W601 HydrophobicContact CB-CD2 4.34Å; P502-W601 HydrophobicContact CB-CZ2 4Å
503	P	98.5	Very high	96.9	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.006	9%	0.092	C	C	.	.			trans	-81.9	52.9	-174.2	36.9	-39.1	0	0	0	111.2	L505 F506 W542 Y546 W601 S605	P503-L505 PolarHBondContact O-N 2.87Å; P503-L505 VanDerWaalsContact O-N 3.1Å; P503-F506 HydrophobicContact CB-CD2 3.92Å; P503-F506 HydrophobicContact CB-CE2 4.31Å; P503-F506 HydrophobicContact CG-CD2 4.39Å; P503-F506 WeakPolarHBondContact O-CB 3.43Å; P503-F506 WeakPolarHBondContact O-CD2 3.32Å; P503-F506 PolarHBondContact O-N 2.86Å; P503-W542 HydrophobicContact CB-CH2 3.34Å; P503-W542 HydrophobicContact CB-CZ2 3.73Å; P503-W542 HydrophobicContact CB-CZ3 4Å; P503-Y546 HydrophobicContact CB-CE2 4.27Å; P503-W601 HydrophobicContact CG-CB 4.03Å; P503-W601 HydrophobicContact CG-CG 4.43Å; P503-S605 WeakPolarHBondContact CG-OG 3.42Å
504	T	98.8	Very high	96.9	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.006	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-18.1	-173.5	60.1	0	0	0	0	113.6	W440 G443 F444 P502 F506 L507 W601	W440-T504 VanDerWaalsContact C-OG1 3.27Å; W440-T504 VanDerWaalsContact CA-OG1 3.28Å; W440-T504 WeakPolarHBondContact CA-OG1 3.42Å; W440-T504 HydrophobicContact CB-CG2 4.14Å; W440-T504 HydrophobicContact CE3-CG2 4.34Å; W440-T504 WeakPolarHBondContact O-CB 2.96Å; W440-T504 WeakPolarHBondContact O-CG2 3.36Å; W440-T504 PolarHBondContact O-OG1 2.72Å; G443-T504 WeakPolarHBondContact CA-O 3.3Å; G443-T504 WeakPolarHBondContact CA-OG1 3.32Å; G443-T504 PolarHBondContact N-OG1 3.1Å; F444-T504 HydrophobicContact CD2-CG2 4.22Å; F444-T504 HydrophobicContact CE2-CG2 3.7Å; F444-T504 HydrophobicContact CZ-CG2 4.19Å; P502-T504 HydrophobicContact CB-CG2 3.95Å; P502-T504 PolarHBondContact O-N 2.76Å; T504-F506 PolarHBondContact O-N 2.81Å; T504-F506 VanDerWaalsContact O-N 3.13Å; T504-L507 HydrophobicContact CG2-CD1 4.47Å; T504-L507 WeakPolarHBondContact O-CA 3.39Å; T504-L507 WeakPolarHBondContact O-CB 3.32Å; T504-L507 PolarHBondContact O-N 3.42Å; T504-W601 HydrophobicContact CG2-CH2 3.87Å; T504-W601 HydrophobicContact CG2-CZ2 4.18Å; T504-W601 HydrophobicContact CG2-CZ3 4.39Å
505	L	98.8	Very high	96.7	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.005	9%	0.093	C	C	.	.	H	α-helix	trans	-56.5	-24.8	170.9	-66.8	-179	0	0	0	112.2	L439 E442 I461 W464 F465 P503 L507 A508 L509 W542	L439-L505 HydrophobicContact CD1-CD1 3.76Å; L439-L505 HydrophobicContact CD1-CG 4.4Å; E442-L505 HydrophobicContact CB-CD2 4.09Å; E442-L505 HydrophobicContact CG-CD2 4.16Å; I461-L505 HydrophobicContact CG1-CD2 4.38Å; W464-L505 HydrophobicContact CB-CD1 4.21Å; W464-L505 HydrophobicContact CG-CD1 4.49Å; F465-L505 HydrophobicContact CD2-CD1 4.46Å; F465-L505 HydrophobicContact CE2-CD1 3.86Å; P503-L505 PolarHBondContact O-N 2.87Å; P503-L505 VanDerWaalsContact O-N 3.1Å; L505-L507 VanDerWaalsContact C-N 3.29Å; L505-L507 PolarHBondContact O-N 3.44Å; L505-A508 PolarHBondContact O-N 3.19Å; L505-L509 WeakPolarHBondContact O-CG 3.14Å; L505-L509 PolarHBondContact O-N 3.15Å; L505-W542 HydrophobicContact CB-CH2 4.11Å
506	F	98.8	Very high	96.5	Very high	2 Å²	2	21 Å²	21	1%	0.009	10%	0.097	C	C	.	.	H	α-helix	trans	-62.6	-33.2	170.1	-81.8	-67.3	0	0	0	112.9	P503 T504 A508 L509 Q510 L539 W542 F543 S605 I608 M609	P503-F506 HydrophobicContact CB-CD2 3.92Å; P503-F506 HydrophobicContact CB-CE2 4.31Å; P503-F506 HydrophobicContact CG-CD2 4.39Å; P503-F506 WeakPolarHBondContact O-CB 3.43Å; P503-F506 WeakPolarHBondContact O-CD2 3.32Å; P503-F506 PolarHBondContact O-N 2.86Å; T504-F506 PolarHBondContact O-N 2.81Å; T504-F506 VanDerWaalsContact O-N 3.13Å; F506-A508 VanDerWaalsContact C-N 3.32Å; F506-A508 PolarHBondContact O-N 3.25Å; F506-L509 HydrophobicContact CD1-CD1 4.05Å; F506-L509 HydrophobicContact CE1-CD1 4.37Å; F506-L509 PolarHBondContact O-N 3.08Å; F506-Q510 WeakPolarHBondContact O-CB 3.32Å; F506-Q510 PolarHBondContact O-N 3.37Å; F506-L539 HydrophobicContact CE1-CD1 3.79Å; F506-L539 HydrophobicContact CE1-CD2 4.14Å; F506-L539 HydrophobicContact CE1-CG 4.11Å; F506-L539 HydrophobicContact CZ-CD1 3.79Å; F506-L539 HydrophobicContact CZ-CG 4.22Å; F506-W542 HydrophobicContact CD2-CE3 4.28Å; F506-W542 HydrophobicContact CD2-CH2 4.1Å; F506-W542 AromaticContact CD2-CZ3 3.45Å; F506-W542 HydrophobicContact CD2-CZ3 3.45Å; F506-W542 VanDerWaalsContact CD2-CZ3 3.45Å; F506-W542 AromaticContact CE2-CE3 3.54Å; F506-W542 HydrophobicContact CE2-CE3 3.54Å; F506-W542 HydrophobicContact CE2-CH2 4.13Å; F506-W542 AromaticContact CE2-CZ3 3.17Å; F506-W542 HydrophobicContact CE2-CZ3 3.17Å; F506-W542 HydrophobicContact CG-CZ3 4.31Å; F506-W542 AromaticContact CZ-CE3 3.93Å; F506-W542 HydrophobicContact CZ-CE3 3.93Å; F506-W542 AromaticContact CZ-CZ3 3.87Å; F506-W542 HydrophobicContact CZ-CZ3 3.87Å; F506-F543 HydrophobicContact CZ-CB 4.45Å; F506-F543 HydrophobicContact CZ-CD2 4.27Å; F506-S605 WeakPolarHBondContact CD2-OG 3.48Å; F506-I608 HydrophobicContact CB-CD1 3.78Å; F506-I608 HydrophobicContact CD1-CB 3.96Å; F506-I608 HydrophobicContact CD1-CG2 3.7Å; F506-I608 HydrophobicContact CE1-CG2 4.4Å; F506-I608 WeakPolarHBondContact O-CD1 3.27Å; F506-M609 HydrophobicContact CE1-CG 3.77Å; F506-M609 HydrophobicContact CE1-SD 3.83Å; F506-M609 HydrophobicContact CZ-CG 3.84Å; F506-M609 HydrophobicContact CZ-SD 3.96Å
507	L	98.6	Very high	96.1	Very high	2 Å²	2	20.2 Å²	20.2	1%	0.01	11%	0.107	C	C	.	.	H	α-helix	trans	-61	-42.8	173.7	-62	168.9	0	0	0	111.2	F444 L447 T504 L505 Q510 E511 W601 L604 L769	F444-L507 HydrophobicContact CD1-CD1 4.5Å; F444-L507 HydrophobicContact CE1-CD1 4.06Å; F444-L507 HydrophobicContact CZ-CD1 4.41Å; L447-L507 HydrophobicContact CD1-CB 4.48Å; L447-L507 HydrophobicContact CD2-CB 4.17Å; L447-L507 HydrophobicContact CG-CB 4.47Å; T504-L507 HydrophobicContact CG2-CD1 4.47Å; T504-L507 WeakPolarHBondContact O-CA 3.39Å; T504-L507 WeakPolarHBondContact O-CB 3.32Å; T504-L507 PolarHBondContact O-N 3.42Å; L505-L507 VanDerWaalsContact C-N 3.29Å; L505-L507 PolarHBondContact O-N 3.44Å; L507-Q510 PolarHBondContact O-N 3.39Å; L507-E511 PolarHBondContact O-N 3.49Å; L507-E511 VanDerWaalsContact O-N 3.11Å; L507-W601 HydrophobicContact CD1-CH2 4.07Å; L507-W601 HydrophobicContact CD1-CZ3 4.16Å; L507-W601 HydrophobicContact CG-CZ3 4.28Å; L507-L604 HydrophobicContact CD2-CD2 3.66Å; L507-L604 HydrophobicContact CG-CD2 4.38Å; L507-L769 HydrophobicContact CD1-CD2 4.41Å
508	A	97.9	Very high	95.7	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-69.5	-35.1	176.9	0	0	0	0	0	112.4	Q446 I461 L505 F506 E511 L512	Q446-A508 HydrophobicContact CB-CB 3.6Å; I461-A508 HydrophobicContact CD1-CB 4.03Å; L505-A508 PolarHBondContact O-N 3.19Å; F506-A508 VanDerWaalsContact C-N 3.32Å; F506-A508 PolarHBondContact O-N 3.25Å; A508-E511 PolarHBondContact O-N 3.45Å; A508-L512 WeakPolarHBondContact O-CG 3.33Å; A508-L512 PolarHBondContact O-N 3.26Å
509	L	98.6	Very high	95.2	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-67.6	-40.5	174.3	-69.6	172.7	0	0	0	112.1	I461 L505 F506 E511 L512 I513 F531 L532 L535 L539 I608 I612	I461-L509 HydrophobicContact CD1-CD2 4.05Å; I461-L509 HydrophobicContact CD1-CG 4.41Å; I461-L509 HydrophobicContact CG2-CD2 4.37Å; L505-L509 WeakPolarHBondContact O-CG 3.14Å; L505-L509 PolarHBondContact O-N 3.15Å; F506-L509 HydrophobicContact CD1-CD1 4.05Å; F506-L509 HydrophobicContact CE1-CD1 4.37Å; F506-L509 PolarHBondContact O-N 3.08Å; L509-E511 VanDerWaalsContact C-N 3.33Å; L509-L512 HydrophobicContact CD2-CD1 4.49Å; L509-L512 PolarHBondContact O-N 3.22Å; L509-I513 WeakPolarHBondContact O-CD1 3.41Å; L509-I513 VanDerWaalsContact O-CG1 3.27Å; L509-I513 WeakPolarHBondContact O-CG1 3.33Å; L509-I513 PolarHBondContact O-N 2.82Å; L509-I513 VanDerWaalsContact O-N 3.09Å; L509-F531 HydrophobicContact CD2-CE1 4.34Å; L509-L532 HydrophobicContact CD2-CD2 4.02Å; L509-L535 HydrophobicContact CD1-CD2 4.3Å; L509-L535 HydrophobicContact CD2-CD2 3.66Å; L509-L539 HydrophobicContact CD1-CD1 3.73Å; L509-L539 HydrophobicContact CD1-CD2 3.97Å; L509-I608 HydrophobicContact CB-CG2 4.38Å; L509-I612 HydrophobicContact CB-CD1 4.32Å; L509-I612 HydrophobicContact CD1-CD1 4.24Å
510	Q	97.8	Very high	94.2	Very high	45 Å²	45	26.5 Å²	26.5	21%	0.21	15%	0.151	C	C	.	.	H	α-helix	trans	-56.2	-50.4	173.1	176.8	176.3	14	0	0	110.3	F506 L507 L512 I513 E514 I608	F506-Q510 WeakPolarHBondContact O-CB 3.32Å; F506-Q510 PolarHBondContact O-N 3.37Å; L507-Q510 PolarHBondContact O-N 3.39Å; Q510-L512 VanDerWaalsContact C-N 3.34Å; Q510-L512 PolarHBondContact O-N 2.83Å; Q510-I513 WeakPolarHBondContact O-CB 3.38Å; Q510-I513 PolarHBondContact O-N 2.91Å; Q510-I513 VanDerWaalsContact O-N 3.08Å; Q510-E514 HydrophobicContact CG-CG 4.43Å; Q510-E514 WeakPolarHBondContact CG-OE1 3.5Å; Q510-E514 PolarHBondContact NE2-OE1 3.21Å; Q510-E514 WeakPolarHBondContact O-CG 3.5Å; Q510-E514 PolarHBondContact O-N 3.31Å; Q510-I608 HydrophobicContact CB-CD1 3.87Å; Q510-I608 HydrophobicContact CB-CG1 4.15Å
511	E	95.8	Very high	93.1	Very high	8 Å²	8	33 Å²	33	4%	0.037	19%	0.185	C	C	.	.	H	α-helix	trans	-57	-44.3	177	174.7	58.9	-139.4	0	0	112.4	L447 S450 K451 L507 A508 L509 I513 E514 Q515	L447-E511 HydrophobicContact CD2-CB 4.4Å; S450-E511 VanDerWaalsContact OG-CG 3.32Å; S450-E511 WeakPolarHBondContact OG-CG 3.25Å; K451-E511 VanDerWaalsContact CE-CD 3.42Å; K451-E511 WeakPolarHBondContact CE-OE1 3.44Å; K451-E511 VanDerWaalsContact CE-OE2 3.29Å; K451-E511 WeakPolarHBondContact CE-OE2 3.23Å; K451-E511 IonicContact NZ-OE1 3.99Å; K451-E511 PolarHBondContact NZ-OE1 3.2Å; K451-E511 IonicContact NZ-OE2 2.74Å; K451-E511 PolarHBondContact NZ-OE2 2.67Å; L507-E511 PolarHBondContact O-N 3.49Å; L507-E511 VanDerWaalsContact O-N 3.11Å; A508-E511 PolarHBondContact O-N 3.45Å; L509-E511 VanDerWaalsContact C-N 3.33Å; E511-I513 VanDerWaalsContact C-N 3.28Å; E511-I513 PolarHBondContact O-N 2.92Å; E511-E514 PolarHBondContact O-N 3.43Å; E511-Q515 VanDerWaalsContact O-CG 3.32Å; E511-Q515 WeakPolarHBondContact O-CG 3.3Å; E511-Q515 PolarHBondContact O-N 2.87Å; E511-Q515 VanDerWaalsContact OE1-CG 3.26Å; E511-Q515 WeakPolarHBondContact OE1-CG 3.48Å; E511-Q515 PolarHBondContact OE1-NE2 2.6Å
512	L	96.3	Very high	92.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-61.9	-35.1	176.9	-73.2	176.7	0	0	0	113	P454 T457 R458 I461 A508 L509 Q510 L516 T528 F531	P454-L512 HydrophobicContact CB-CD2 4.23Å; T457-L512 HydrophobicContact CG2-CD1 4.15Å; T457-L512 HydrophobicContact CG2-CD2 4.38Å; T457-L512 HydrophobicContact CG2-CG 4.38Å; R458-L512 HydrophobicContact CG-CD1 4.05Å; I461-L512 HydrophobicContact CD1-CD1 4.2Å; A508-L512 WeakPolarHBondContact O-CG 3.33Å; A508-L512 PolarHBondContact O-N 3.26Å; L509-L512 HydrophobicContact CD2-CD1 4.49Å; L509-L512 PolarHBondContact O-N 3.22Å; Q510-L512 VanDerWaalsContact C-N 3.34Å; Q510-L512 PolarHBondContact O-N 2.83Å; L512-L516 WeakPolarHBondContact O-CB 3.42Å; L512-L516 PolarHBondContact O-N 2.82Å; L512-T528 HydrophobicContact CB-CG2 4.15Å; L512-F531 HydrophobicContact CD1-CE1 4.35Å
513	I	95.6	Very high	91.3	Very high	16 Å²	16	41.3 Å²	41.3	8%	0.082	24%	0.238	C	C	.	.	H	α-helix	trans	-74.4	-40.4	179	-67.6	159.7	0	0	0	111.1	L509 Q510 E511 Q515 L516 S517 L532 I608 I612 L615	L509-I513 WeakPolarHBondContact O-CD1 3.41Å; L509-I513 VanDerWaalsContact O-CG1 3.27Å; L509-I513 WeakPolarHBondContact O-CG1 3.33Å; L509-I513 PolarHBondContact O-N 2.82Å; L509-I513 VanDerWaalsContact O-N 3.09Å; Q510-I513 WeakPolarHBondContact O-CB 3.38Å; Q510-I513 PolarHBondContact O-N 2.91Å; Q510-I513 VanDerWaalsContact O-N 3.08Å; E511-I513 VanDerWaalsContact C-N 3.28Å; E511-I513 PolarHBondContact O-N 2.92Å; I513-Q515 VanDerWaalsContact C-N 3.35Å; I513-L516 WeakPolarHBondContact O-CB 3.35Å; I513-L516 PolarHBondContact O-N 2.84Å; I513-S517 WeakPolarHBondContact O-CB 3.36Å; I513-S517 PolarHBondContact O-N 2.84Å; I513-S517 PolarHBondContact O-OG 3.33Å; I513-L532 HydrophobicContact CG1-CD1 4.02Å; I513-I608 HydrophobicContact CD1-CG2 4.36Å; I513-I612 HydrophobicContact CD1-CD1 3.91Å; I513-I612 HydrophobicContact CD1-CG1 3.25Å; I513-I612 HydrophobicContact CG1-CG1 4.32Å; I513-L615 HydrophobicContact CB-CD1 4.39Å; I513-L615 HydrophobicContact CG1-CD1 4.13Å; I513-L615 HydrophobicContact CG2-CD1 3.45Å; I513-L615 VanDerWaalsContact CG2-CD1 3.45Å
514	E	93.1	Very high	90.4	Very high	83 Å²	83	43.2 Å²	43.2	39%	0.388	25%	0.254	S	S	.	.	H	α-helix	trans	-65.2	-40.2	176.3	-71.8	170.8	-175.8	0	0	110.9	Q510 E511 S517 S518	Q510-E514 HydrophobicContact CG-CG 4.43Å; Q510-E514 WeakPolarHBondContact CG-OE1 3.5Å; Q510-E514 PolarHBondContact NE2-OE1 3.21Å; Q510-E514 WeakPolarHBondContact O-CG 3.5Å; Q510-E514 PolarHBondContact O-N 3.31Å; E511-E514 PolarHBondContact O-N 3.43Å; E514-S517 PolarHBondContact O-N 3.21Å; E514-S518 WeakPolarHBondContact O-CB 3.08Å; E514-S518 PolarHBondContact O-N 3.32Å; E514-S518 PolarHBondContact O-OG 3.37Å
515	Q	91.2	Very high	89.7	Confident	21 Å²	21	43.3 Å²	43.3	10%	0.098	25%	0.254	C	S	.	.	H	α-helix	trans	-62.2	-44.1	170.7	-71.6	-179.4	19.8	0	0	112.4	S450 E511 I513 S517 S518 K519 T525	S450-Q515 PolarHBondContact O-NE2 2.79Å; E511-Q515 VanDerWaalsContact O-CG 3.32Å; E511-Q515 WeakPolarHBondContact O-CG 3.3Å; E511-Q515 PolarHBondContact O-N 2.87Å; E511-Q515 VanDerWaalsContact OE1-CG 3.26Å; E511-Q515 WeakPolarHBondContact OE1-CG 3.48Å; E511-Q515 PolarHBondContact OE1-NE2 2.6Å; I513-Q515 VanDerWaalsContact C-N 3.35Å; Q515-S517 VanDerWaalsContact C-N 3.27Å; Q515-S517 PolarHBondContact O-N 3.47Å; Q515-S518 PolarHBondContact O-N 3.21Å; Q515-S518 PolarHBondContact O-OG 2.91Å; Q515-K519 WeakPolarHBondContact O-CA 3.23Å; Q515-K519 WeakPolarHBondContact O-CB 3.33Å; Q515-K519 PolarHBondContact O-N 3.2Å; Q515-T525 HydrophobicContact CB-CG2 4.32Å
516	L	91.5	Very high	89.2	Confident	27 Å²	27	49.6 Å²	49.6	14%	0.141	28%	0.282	C	S	.	.	H	α-helix	trans	-60.3	-39.7	176.8	179.1	64.7	0	0	0	111.5	L512 I513 S520 T528 L529	L512-L516 WeakPolarHBondContact O-CB 3.42Å; L512-L516 PolarHBondContact O-N 2.82Å; I513-L516 WeakPolarHBondContact O-CB 3.35Å; I513-L516 PolarHBondContact O-N 2.84Å; L516-S520 VanDerWaalsContact O-CA 3.27Å; L516-S520 WeakPolarHBondContact O-CA 3.35Å; L516-S520 WeakPolarHBondContact O-CB 3.5Å; L516-S520 PolarHBondContact O-N 3.16Å; L516-T528 HydrophobicContact CB-CG2 4.39Å; L516-T528 HydrophobicContact CD2-CG2 4.23Å; L516-L529 HydrophobicContact CD2-CB 4.37Å
517	S	88	Confident	88.9	Confident	86 Å²	86	51.9 Å²	51.9	60%	0.601	30%	0.297	S	S	*	.	H	α-helix	trans	-73.7	-36.8	-178.3	-54.7	0	0	0	0	112.6	I513 E514 Q515	I513-S517 WeakPolarHBondContact O-CB 3.36Å; I513-S517 PolarHBondContact O-N 2.84Å; I513-S517 PolarHBondContact O-OG 3.33Å; E514-S517 PolarHBondContact O-N 3.21Å; Q515-S517 VanDerWaalsContact C-N 3.27Å; Q515-S517 PolarHBondContact O-N 3.47Å
518	S	87.1	Confident	88.8	Confident	88 Å²	88	51.8 Å²	51.8	62%	0.615	30%	0.296	S	S	*	.	H	α-helix	trans	-85.6	-25	-178.9	56.1	0	0	0	0	114.1	E514 Q515	E514-S518 WeakPolarHBondContact O-CB 3.08Å; E514-S518 PolarHBondContact O-N 3.32Å; E514-S518 PolarHBondContact O-OG 3.37Å; Q515-S518 PolarHBondContact O-N 3.21Å; Q515-S518 PolarHBondContact O-OG 2.91Å
519	K	83.5	Confident	88.6	Confident	102 Å²	102	54.6 Å²	54.6	44%	0.443	31%	0.311	S	S	.	.			trans	-137.5	48.1	-172	-61.4	175.1	173.3	-166.5	0	111.7	Q515 D521 E522 T525	Q515-K519 WeakPolarHBondContact O-CA 3.23Å; Q515-K519 WeakPolarHBondContact O-CB 3.33Å; Q515-K519 PolarHBondContact O-N 3.2Å; K519-D521 PolarHBondContact O-N 2.85Å; K519-D521 VanDerWaalsContact O-N 3.12Å; K519-E522 HydrophobicContact CB-CB 4.4Å; K519-E522 HydrophobicContact CB-CG 4.09Å; K519-E522 IonicContact NZ-OE1 2.81Å; K519-E522 PolarHBondContact O-N 3.09Å; K519-T525 HydrophobicContact CB-CG2 4.26Å; K519-T525 PolarHBondContact O-OG1 2.63Å
520	S	74.8	Confident	88.5	Confident	68 Å²	68	58.2 Å²	58.2	48%	0.476	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-27.8	-173.7	58	0	0	0	0	114.4	L516	L516-S520 VanDerWaalsContact O-CA 3.27Å; L516-S520 WeakPolarHBondContact O-CA 3.35Å; L516-S520 WeakPolarHBondContact O-CB 3.5Å; L516-S520 PolarHBondContact O-N 3.16Å
521	D	73.1	Confident	88.5	Confident	139 Å²	139	56.9 Å²	56.9	74%	0.743	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-12.2	-175.5	-63.9	-30.5	0	0	0	114	K519 K526	K519-D521 PolarHBondContact O-N 2.85Å; K519-D521 VanDerWaalsContact O-N 3.12Å; D521-K526 WeakPolarHBondContact O-CE 3.19Å
522	E	80.3	Confident	88.7	Confident	95 Å²	95	56.6 Å²	56.6	44%	0.444	33%	0.327	S	S	.	.	S	Bend	trans	-68.8	134.5	179.7	-74	-169.5	-174.6	0	0	111.5	K519 A524 T525 K526	K519-E522 HydrophobicContact CB-CB 4.4Å; K519-E522 HydrophobicContact CB-CG 4.09Å; K519-E522 IonicContact NZ-OE1 2.81Å; K519-E522 PolarHBondContact O-N 3.09Å; E522-A524 PolarHBondContact O-N 2.9Å; E522-T525 PolarHBondContact O-N 3.17Å; E522-T525 PolarHBondContact O-OG1 3.14Å; E522-K526 PolarHBondContact O-N 3.01Å
523	A	80.1	Confident	88.7	Confident	82 Å²	82	64 Å²	64	68%	0.678	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-27.3	179.7	0	0	0	0	0	113.4
524	A	79.6	Confident	88.9	Confident	42 Å²	42	67.4 Å²	67.4	35%	0.347	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-26.2	179.9	0	0	0	0	0	114.2	P454 R458 E522	P454-A524 HydrophobicContact CG-CB 4.42Å; R458-A524 PolarHBondContact NH1-O 3.32Å; R458-A524 PolarHBondContact NH2-O 2.88Å; R458-A524 VanDerWaalsContact NH2-O 3.15Å; E522-A524 PolarHBondContact O-N 2.9Å
525	T	84.2	Confident	89.1	Confident	2 Å²	2	63.5 Å²	63.5	1%	0.012	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-24.9	-176.4	58.7	0	0	0	0	112.6	Q515 K519 E522 P527 T528	Q515-T525 HydrophobicContact CB-CG2 4.32Å; K519-T525 HydrophobicContact CB-CG2 4.26Å; K519-T525 PolarHBondContact O-OG1 2.63Å; E522-T525 PolarHBondContact O-N 3.17Å; E522-T525 PolarHBondContact O-OG1 3.14Å; T525-P527 VanDerWaalsContact C-N 3.3Å; T525-P527 VanDerWaalsContact O-N 3.14Å; T525-T528 WeakPolarHBondContact O-CB 3.29Å; T525-T528 PolarHBondContact O-N 3.33Å; T525-T528 PolarHBondContact O-OG1 3.13Å; T525-T528 VanDerWaalsContact O-OG1 3.12Å
526	K	86.7	Confident	89.5	Confident	133 Å²	133	63.1 Å²	63.1	58%	0.578	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.4	-40.6	177.5	-68.6	-178.3	-176.7	-177.8	0	114.8	D521 E522 T528 P530	D521-K526 WeakPolarHBondContact O-CE 3.19Å; E522-K526 PolarHBondContact O-N 3.01Å; K526-T528 PolarHBondContact O-N 3.25Å; K526-P530 WeakPolarHBondContact O-CD 3.35Å
527	P	93.8	Very high	89.8	Confident	50 Å²	50	64.4 Å²	64.4	33%	0.325	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-9.9	179.4	-18.3	33.6	0	0	0	114.7	T525 P530 F531	T525-P527 VanDerWaalsContact C-N 3.3Å; T525-P527 VanDerWaalsContact O-N 3.14Å; P527-P530 WeakPolarHBondContact O-CD 3.34Å; P527-F531 VanDerWaalsContact O-CB 3.26Å; P527-F531 WeakPolarHBondContact O-CB 3.3Å; P527-F531 PolarHBondContact O-N 2.94Å
528	T	95.1	Very high	90.3	Very high	1 Å²	1	60.6 Å²	60.6	1%	0.006	33%	0.329	C	S	.	.	H	α-helix	trans	-63.8	-45.5	-175.7	-62.5	0	0	0	0	112.1	R458 L512 L516 T525 K526 F531 L532	R458-T528 PolarHBondContact NH1-OG1 3Å; R458-T528 VanDerWaalsContact NH1-OG1 3.11Å; L512-T528 HydrophobicContact CB-CG2 4.15Å; L516-T528 HydrophobicContact CB-CG2 4.39Å; L516-T528 HydrophobicContact CD2-CG2 4.23Å; T525-T528 WeakPolarHBondContact O-CB 3.29Å; T525-T528 PolarHBondContact O-N 3.33Å; T525-T528 PolarHBondContact O-OG1 3.13Å; T525-T528 VanDerWaalsContact O-OG1 3.12Å; K526-T528 PolarHBondContact O-N 3.25Å; T528-F531 WeakPolarHBondContact O-CB 3.36Å; T528-F531 PolarHBondContact O-N 2.97Å; T528-L532 HydrophobicContact CG2-CD1 3.99Å; T528-L532 HydrophobicContact CG2-CG 4.22Å; T528-L532 WeakPolarHBondContact O-CG 3.33Å; T528-L532 PolarHBondContact O-N 3.16Å
529	L	95.2	Very high	90.9	Very high	58 Å²	58	56.4 Å²	56.4	30%	0.304	30%	0.299	S	S	.	.	H	α-helix	trans	-66.1	-46.6	-178.5	-172	70.6	0	0	0	112.9	L516 F531 L532 R533 L616	L516-L529 HydrophobicContact CD2-CB 4.37Å; L529-F531 VanDerWaalsContact C-N 3.31Å; L529-F531 PolarHBondContact O-N 3.24Å; L529-L532 PolarHBondContact O-N 3.3Å; L529-R533 PolarHBondContact O-N 2.99Å; L529-L616 HydrophobicContact CD1-CD2 3.75Å; L529-L616 HydrophobicContact CG-CD2 4.47Å
530	P	96.3	Very high	91.6	Very high	77 Å²	77	56.5 Å²	56.5	50%	0.5	30%	0.3	S	S	.	.	H	α-helix	trans	-57.8	-39.8	170.7	-26.3	34.5	0	0	0	113.8	K526 P527 R533 R534	K526-P530 WeakPolarHBondContact O-CD 3.35Å; P527-P530 WeakPolarHBondContact O-CD 3.34Å; P530-R533 PolarHBondContact O-N 3.21Å; P530-R534 PolarHBondContact O-N 2.84Å
531	F	98.1	Very high	92.7	Very high	17 Å²	17	55 Å²	55	8%	0.075	29%	0.288	C	S	.	.	H	α-helix	trans	-62.2	-50.1	176.2	166.4	-101.7	0	0	0	111.8	V79 R458 I461 L509 L512 P527 T528 L529 R533 R534 L535	V79-F531 HydrophobicContact CG1-CD2 3.92Å; V79-F531 HydrophobicContact CG1-CE2 3.55Å; V79-F531 HydrophobicContact CG1-CZ 4.44Å; R458-F531 HydrophobicContact CB-CD1 4.25Å; R458-F531 HydrophobicContact CB-CD2 3.96Å; R458-F531 HydrophobicContact CB-CE1 4.31Å; R458-F531 HydrophobicContact CB-CE2 4.03Å; R458-F531 HydrophobicContact CB-CG 4.06Å; R458-F531 HydrophobicContact CB-CZ 4.2Å; R458-F531 HydrophobicContact CG-CB 4.43Å; R458-F531 HydrophobicContact CG-CD1 3.73Å; R458-F531 HydrophobicContact CG-CD2 4.3Å; R458-F531 HydrophobicContact CG-CE1 4Å; R458-F531 HydrophobicContact CG-CG 3.88Å; R458-F531 HydrophobicContact CG-CZ 4.4Å; R458-F531 WeakPolarHBondContact O-CE2 3.37Å; R458-F531 WeakPolarHBondContact O-CZ 3.49Å; I461-F531 HydrophobicContact CB-CZ 3.97Å; I461-F531 HydrophobicContact CG2-CE1 4.49Å; I461-F531 HydrophobicContact CG2-CZ 3.82Å; L509-F531 HydrophobicContact CD2-CE1 4.34Å; L512-F531 HydrophobicContact CD1-CE1 4.35Å; P527-F531 VanDerWaalsContact O-CB 3.26Å; P527-F531 WeakPolarHBondContact O-CB 3.3Å; P527-F531 PolarHBondContact O-N 2.94Å; T528-F531 WeakPolarHBondContact O-CB 3.36Å; T528-F531 PolarHBondContact O-N 2.97Å; L529-F531 VanDerWaalsContact C-N 3.31Å; L529-F531 PolarHBondContact O-N 3.24Å; F531-R533 VanDerWaalsContact C-N 3.26Å; F531-R533 PolarHBondContact O-N 3.31Å; F531-R534 PolarHBondContact O-N 2.87Å; F531-R534 VanDerWaalsContact O-N 3.11Å; F531-L535 HydrophobicContact CE1-CD2 3.84Å; F531-L535 HydrophobicContact CZ-CD2 3.89Å; F531-L535 WeakPolarHBondContact O-CB 3.29Å; F531-L535 PolarHBondContact O-N 3.02Å
532	L	98.3	Very high	93.9	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-58.3	-40.1	177.7	-71.1	177.1	0	0	0	111.3	L509 I513 T528 L529 R534 L535 F536 I612 L616	L509-L532 HydrophobicContact CD2-CD2 4.02Å; I513-L532 HydrophobicContact CG1-CD1 4.02Å; T528-L532 HydrophobicContact CG2-CD1 3.99Å; T528-L532 HydrophobicContact CG2-CG 4.22Å; T528-L532 WeakPolarHBondContact O-CG 3.33Å; T528-L532 PolarHBondContact O-N 3.16Å; L529-L532 PolarHBondContact O-N 3.3Å; L532-R534 VanDerWaalsContact C-N 3.34Å; L532-R534 PolarHBondContact O-N 3.39Å; L532-L535 HydrophobicContact CD2-CD2 4.45Å; L532-L535 PolarHBondContact O-N 3.09Å; L532-F536 VanDerWaalsContact O-CB 3.32Å; L532-F536 WeakPolarHBondContact O-CB 3.26Å; L532-F536 PolarHBondContact O-N 2.99Å; L532-I612 HydrophobicContact CD2-CD1 4.3Å; L532-I612 HydrophobicContact CD2-CG1 4.47Å; L532-L616 HydrophobicContact CB-CD1 4.38Å; L532-L616 HydrophobicContact CB-CD2 4.22Å
533	R	98.2	Very high	94.8	Very high	156 Å²	156	44 Å²	44	59%	0.589	23%	0.232	S	C	*	.	H	α-helix	trans	-60.1	-41.2	176.5	-168.9	175.6	-67.9	179	-1.4	112.7	L529 P530 F531 L616	L529-R533 PolarHBondContact O-N 2.99Å; P530-R533 PolarHBondContact O-N 3.21Å; F531-R533 VanDerWaalsContact C-N 3.26Å; F531-R533 PolarHBondContact O-N 3.31Å; R533-L616 HydrophobicContact CB-CD2 3.84Å; R533-L616 HydrophobicContact CG-CD2 4.47Å
534	R	98.1	Very high	95.7	Very high	88 Å²	88	43 Å²	43	33%	0.332	21%	0.213	S	C	.	.	H	α-helix	trans	-72.4	-34.6	176.2	-68.7	179.1	65.9	171.7	6.3	112.6	R78 V79 D81 P530 F531 L532	R78-R534 PolarHBondContact O-NE 3.19Å; R78-R534 PolarHBondContact O-NH2 3.01Å; V79-R534 HydrophobicContact CG1-CB 4.47Å; V79-R534 PolarHBondContact O-NE 3.48Å; V79-R534 PolarHBondContact O-NH1 3.1Å; V79-R534 PolarHBondContact O-NH2 3.16Å; D81-R534 VanDerWaalsContact CG-NH1 3.27Å; D81-R534 IonicContact OD1-CZ 2.67Å; D81-R534 VanDerWaalsContact OD1-CZ 3.24Å; D81-R534 IonicContact OD1-NH1 3.92Å; D81-R534 PolarHBondContact OD1-NH1 2.9Å; D81-R534 IonicContact OD1-NH2 2.7Å; D81-R534 PolarHBondContact OD1-NH2 3.39Å; D81-R534 IonicContact OD2-CZ 2.62Å; D81-R534 IonicContact OD2-NH1 2.6Å; D81-R534 PolarHBondContact OD2-NH1 3.3Å; P530-R534 PolarHBondContact O-N 2.84Å; F531-R534 PolarHBondContact O-N 2.87Å; F531-R534 VanDerWaalsContact O-N 3.11Å; L532-R534 VanDerWaalsContact C-N 3.34Å; L532-R534 PolarHBondContact O-N 3.39Å
535	L	98.6	Very high	96.6	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-72.7	-37.4	-179.6	-179.9	64.4	0	0	0	112.4	V79 I461 F465 L509 F531 L532 R538 L539	V79-L535 HydrophobicContact CG1-CB 4.13Å; V79-L535 HydrophobicContact CG1-CD1 4.24Å; V79-L535 HydrophobicContact CG2-CD1 3.9Å; I461-L535 HydrophobicContact CG2-CD1 4.44Å; I461-L535 HydrophobicContact CG2-CD2 4.06Å; F465-L535 HydrophobicContact CB-CD1 3.67Å; F465-L535 HydrophobicContact CD1-CD1 3.84Å; F465-L535 HydrophobicContact CD2-CD1 3.58Å; F465-L535 HydrophobicContact CE1-CD1 4.36Å; F465-L535 HydrophobicContact CE2-CD1 4.13Å; F465-L535 HydrophobicContact CG-CD1 3.4Å; F465-L535 HydrophobicContact CZ-CD1 4.49Å; L509-L535 HydrophobicContact CD1-CD2 4.3Å; L509-L535 HydrophobicContact CD2-CD2 3.66Å; F531-L535 HydrophobicContact CE1-CD2 3.84Å; F531-L535 HydrophobicContact CZ-CD2 3.89Å; F531-L535 WeakPolarHBondContact O-CB 3.29Å; F531-L535 PolarHBondContact O-N 3.02Å; L532-L535 HydrophobicContact CD2-CD2 4.45Å; L532-L535 PolarHBondContact O-N 3.09Å; L535-R538 PolarHBondContact O-N 2.57Å; L535-L539 HydrophobicContact CG-CB 4.3Å; L535-L539 PolarHBondContact O-N 3.39Å
536	F	98.6	Very high	97.3	Very high	13 Å²	13	41.6 Å²	41.6	6%	0.057	20%	0.199	C	C	.	.	H	α-helix	trans	-52.8	-42.8	-166.2	-173.3	-109.6	0	0	0	115.5	L532 R538 L539 K540 M609 I612 A613 L616 E618 Y623	L532-F536 VanDerWaalsContact O-CB 3.32Å; L532-F536 WeakPolarHBondContact O-CB 3.26Å; L532-F536 PolarHBondContact O-N 2.99Å; F536-R538 VanDerWaalsContact C-N 3.29Å; F536-R538 PolarHBondContact O-N 2.65Å; F536-L539 PolarHBondContact O-N 2.92Å; F536-K540 WeakPolarHBondContact O-CB 3.43Å; F536-K540 PolarHBondContact O-N 3.26Å; F536-M609 HydrophobicContact CE2-CE 3.86Å; F536-M609 HydrophobicContact CZ-CE 4.46Å; F536-I612 HydrophobicContact CD2-CG2 3.71Å; F536-I612 HydrophobicContact CE2-CG2 4.19Å; F536-A613 HydrophobicContact CE2-CB 3.84Å; F536-A613 HydrophobicContact CZ-CB 3.7Å; F536-L616 HydrophobicContact CB-CD1 3.61Å; F536-L616 HydrophobicContact CD1-CD1 4.38Å; F536-L616 HydrophobicContact CD2-CD1 3.96Å; F536-L616 HydrophobicContact CG-CD1 3.74Å; F536-E618 HydrophobicContact CD1-CB 4.39Å; F536-E618 HydrophobicContact CD1-CG 3.8Å; F536-E618 HydrophobicContact CE1-CB 3.6Å; F536-E618 HydrophobicContact CE1-CG 3.5Å; F536-E618 VanDerWaalsContact CE1-CG 3.5Å; F536-E618 HydrophobicContact CZ-CB 3.86Å; F536-E618 HydrophobicContact CZ-CG 4.18Å; F536-Y623 HydrophobicContact CZ-CE2 4.35Å
537	P	98.4	Very high	97.8	Very high	53 Å²	53	37.1 Å²	37.1	34%	0.344	18%	0.181	S	C	.	.	H	α-helix	trans	-59.4	-38.1	177.1	-25.7	35.7	0	0	0	113.4	S76 T541	S76-P537 WeakPolarHBondContact OG-CB 3.44Å; P537-T541 PolarHBondContact O-N 3.42Å; P537-T541 PolarHBondContact O-OG1 3.41Å
538	R	98.6	Very high	97.9	Very high	7 Å²	7	38.7 Å²	38.7	3%	0.026	19%	0.19	C	C	.	.	H	α-helix	trans	-75.7	-39.5	177	-69.4	170.8	175.3	-88.4	-11.7	111	H74 S76 P77 F465 D466 M468 L535 F536 K540 T541 W542	H74-R538 PolarHBondContact O-NH2 3.45Å; H74-R538 VanDerWaalsContact O-NH2 3.09Å; S76-R538 PolarHBondContact O-NH2 3.26Å; P77-R538 PolarHBondContact O-NE 3.42Å; F465-R538 HydrophobicContact CD1-CB 3.97Å; F465-R538 PolarHBondContact O-NH1 3.17Å; D466-R538 IonicContact OD1-NE 2.76Å; M468-R538 HydrophobicContact CE-CB 3.59Å; M468-R538 HydrophobicContact CE-CG 3.83Å; M468-R538 WeakPolarHBondContact CE-O 3.34Å; M468-R538 HydrophobicContact SD-CB 4.45Å; L535-R538 PolarHBondContact O-N 2.57Å; F536-R538 VanDerWaalsContact C-N 3.29Å; F536-R538 PolarHBondContact O-N 2.65Å; R538-K540 VanDerWaalsContact C-N 3.31Å; R538-K540 PolarHBondContact O-N 3.39Å; R538-T541 PolarHBondContact O-N 2.98Å; R538-W542 WeakPolarHBondContact O-CB 3.1Å; R538-W542 PolarHBondContact O-N 2.68Å
539	L	98.4	Very high	98	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-60.3	-41.5	177	-167.8	67	0	0	0	112	F465 F506 L509 L535 F536 W542 F543 M609 I612	F465-L539 HydrophobicContact CE1-CB 4.38Å; F465-L539 HydrophobicContact CE1-CD1 3.72Å; F465-L539 HydrophobicContact CE2-CD1 4.34Å; F465-L539 HydrophobicContact CZ-CD1 3.39Å; F506-L539 HydrophobicContact CE1-CD1 3.79Å; F506-L539 HydrophobicContact CE1-CD2 4.14Å; F506-L539 HydrophobicContact CE1-CG 4.11Å; F506-L539 HydrophobicContact CZ-CD1 3.79Å; F506-L539 HydrophobicContact CZ-CG 4.22Å; L509-L539 HydrophobicContact CD1-CD1 3.73Å; L509-L539 HydrophobicContact CD1-CD2 3.97Å; L535-L539 HydrophobicContact CG-CB 4.3Å; L535-L539 PolarHBondContact O-N 3.39Å; F536-L539 PolarHBondContact O-N 2.92Å; L539-W542 HydrophobicContact CD1-CE3 3.92Å; L539-W542 HydrophobicContact CD1-CZ3 4.3Å; L539-W542 PolarHBondContact O-N 2.85Å; L539-F543 WeakPolarHBondContact O-CB 3.35Å; L539-F543 PolarHBondContact O-N 3.28Å; L539-M609 HydrophobicContact CB-SD 4.43Å; L539-M609 HydrophobicContact CD2-SD 3.59Å; L539-M609 VanDerWaalsContact CD2-SD 3.59Å; L539-M609 HydrophobicContact CG-SD 3.53Å; L539-M609 VanDerWaalsContact CG-SD 3.53Å; L539-I612 HydrophobicContact CD2-CD1 3.52Å
540	K	98.5	Very high	98.2	Very high	104 Å²	104	38.2 Å²	38.2	45%	0.452	19%	0.189	S	C	.	.	H	α-helix	trans	-57.1	-52.3	172.3	173.9	166.8	-175.3	177.6	0	111.5	F536 R538 W542 F543 E544 M609 Y623	F536-K540 WeakPolarHBondContact O-CB 3.43Å; F536-K540 PolarHBondContact O-N 3.26Å; R538-K540 VanDerWaalsContact C-N 3.31Å; R538-K540 PolarHBondContact O-N 3.39Å; K540-W542 VanDerWaalsContact C-N 3.33Å; K540-W542 PolarHBondContact O-N 3.4Å; K540-F543 PolarHBondContact O-N 3.45Å; K540-E544 WeakPolarHBondContact O-CG 2.99Å; K540-E544 PolarHBondContact O-N 2.89Å; K540-M609 HydrophobicContact CB-CE 4.34Å; K540-Y623 WeakPolarHBondContact CD-OH 3.39Å; K540-Y623 WeakPolarHBondContact CG-OH 3.47Å
541	T	98.6	Very high	98.3	Very high	36 Å²	36	37.3 Å²	37.3	22%	0.221	18%	0.183	C	C	.	.	H	α-helix	trans	-64.1	-38.2	180	-48.2	0	0	0	0	112.1	H74 P537 R538 E544 W545	H74-T541 VanDerWaalsContact NE2-CB 3.34Å; H74-T541 WeakPolarHBondContact NE2-CB 3.45Å; H74-T541 PolarHBondContact NE2-OG1 2.99Å; P537-T541 PolarHBondContact O-N 3.42Å; P537-T541 PolarHBondContact O-OG1 3.41Å; R538-T541 PolarHBondContact O-N 2.98Å; T541-E544 PolarHBondContact O-N 3.43Å; T541-W545 WeakPolarHBondContact O-CB 3.34Å; T541-W545 PolarHBondContact O-N 3.45Å
542	W	98.8	Very high	98.2	Very high	1 Å²	1	37.3 Å²	37.3	0%	0.004	19%	0.188	C	C	.	.	H	α-helix	trans	-62	-48.8	175.1	-172.5	61.7	0	0	0	111.6	F465 M468 G472 P503 L505 F506 R538 L539 K540 E544 W545 Y546	F465-W542 HydrophobicContact CE1-CB 3.84Å; F465-W542 AromaticContact CE1-CD2 3.96Å; F465-W542 HydrophobicContact CE1-CD2 3.96Å; F465-W542 AromaticContact CE1-CE3 3.91Å; F465-W542 HydrophobicContact CE1-CE3 3.91Å; F465-W542 AromaticContact CE1-CG 3.97Å; F465-W542 HydrophobicContact CE1-CG 3.97Å; F465-W542 AromaticContact CZ-CD2 3.91Å; F465-W542 HydrophobicContact CZ-CD2 3.91Å; F465-W542 AromaticContact CZ-CE3 3.54Å; F465-W542 HydrophobicContact CZ-CE3 3.54Å; F465-W542 HydrophobicContact CZ-CG 4.41Å; F465-W542 AromaticContact CZ-CZ3 3.86Å; F465-W542 HydrophobicContact CZ-CZ3 3.86Å; M468-W542 HydrophobicContact SD-CB 3.83Å; M468-W542 HydrophobicContact SD-CG 4.48Å; G472-W542 VanDerWaalsContact O-CD1 3.24Å; P503-W542 HydrophobicContact CB-CH2 3.34Å; P503-W542 HydrophobicContact CB-CZ2 3.73Å; P503-W542 HydrophobicContact CB-CZ3 4Å; L505-W542 HydrophobicContact CB-CH2 4.11Å; F506-W542 HydrophobicContact CD2-CE3 4.28Å; F506-W542 HydrophobicContact CD2-CH2 4.1Å; F506-W542 AromaticContact CD2-CZ3 3.45Å; F506-W542 HydrophobicContact CD2-CZ3 3.45Å; F506-W542 VanDerWaalsContact CD2-CZ3 3.45Å; F506-W542 AromaticContact CE2-CE3 3.54Å; F506-W542 HydrophobicContact CE2-CE3 3.54Å; F506-W542 HydrophobicContact CE2-CH2 4.13Å; F506-W542 AromaticContact CE2-CZ3 3.17Å; F506-W542 HydrophobicContact CE2-CZ3 3.17Å; F506-W542 HydrophobicContact CG-CZ3 4.31Å; F506-W542 AromaticContact CZ-CE3 3.93Å; F506-W542 HydrophobicContact CZ-CE3 3.93Å; F506-W542 AromaticContact CZ-CZ3 3.87Å; F506-W542 HydrophobicContact CZ-CZ3 3.87Å; R538-W542 WeakPolarHBondContact O-CB 3.1Å; R538-W542 PolarHBondContact O-N 2.68Å; L539-W542 HydrophobicContact CD1-CE3 3.92Å; L539-W542 HydrophobicContact CD1-CZ3 4.3Å; L539-W542 PolarHBondContact O-N 2.85Å; K540-W542 VanDerWaalsContact C-N 3.33Å; K540-W542 PolarHBondContact O-N 3.4Å; W542-E544 PolarHBondContact O-N 2.58Å; W542-W545 WeakPolarHBondContact O-CB 3.35Å; W542-W545 PolarHBondContact O-N 3.05Å; W542-Y546 HydrophobicContact CD2-CE2 4.17Å; W542-Y546 AromaticContact CE2-CE2 3.6Å; W542-Y546 HydrophobicContact CG-CE2 4.43Å; W542-Y546 AromaticContact CZ2-CE2 3.95Å; W542-Y546 HydrophobicContact CZ2-CE2 3.95Å; W542-Y546 AromaticContact NE1-CE2 3.52Å; W542-Y546 WeakPolarHBondContact O-CD2 3.38Å; W542-Y546 PolarHBondContact O-N 2.95Å
543	F	98.7	Very high	98.2	Very high	1 Å²	1	40.5 Å²	40.5	0%	0.004	21%	0.208	C	C	.	.	H	α-helix	trans	-58.5	-48.1	176.1	178.3	-93.4	0	0	0	111.8	F506 L539 K540 W545 Y546 N547 M602 M609 Y623 L626	F506-F543 HydrophobicContact CZ-CB 4.45Å; F506-F543 HydrophobicContact CZ-CD2 4.27Å; L539-F543 WeakPolarHBondContact O-CB 3.35Å; L539-F543 PolarHBondContact O-N 3.28Å; K540-F543 PolarHBondContact O-N 3.45Å; F543-W545 VanDerWaalsContact C-N 3.29Å; F543-W545 PolarHBondContact O-N 3.1Å; F543-Y546 PolarHBondContact O-N 3.39Å; F543-N547 HydrophobicContact CE1-CB 4.31Å; F543-N547 WeakPolarHBondContact O-CB 3.28Å; F543-N547 PolarHBondContact O-N 3.37Å; F543-M602 HydrophobicContact CD2-CE 4.13Å; F543-M602 HydrophobicContact CE2-CE 3.59Å; F543-M602 HydrophobicContact CZ-CE 3.84Å; F543-M609 HydrophobicContact CB-CE 4.38Å; F543-M609 HydrophobicContact CB-CG 4.15Å; F543-M609 HydrophobicContact CB-SD 4.29Å; F543-M609 HydrophobicContact CD2-CG 3.74Å; F543-M609 HydrophobicContact CE2-CG 4.32Å; F543-M609 HydrophobicContact CG-CG 3.87Å; F543-Y623 HydrophobicContact CD1-CD1 4.13Å; F543-Y623 AromaticContact CD1-CE1 3.77Å; F543-Y623 HydrophobicContact CD1-CE1 3.77Å; F543-Y623 AromaticContact CE1-CD1 3.83Å; F543-Y623 HydrophobicContact CE1-CD1 3.83Å; F543-Y623 AromaticContact CE1-CE1 3.87Å; F543-Y623 HydrophobicContact CE1-CE1 3.87Å; F543-Y623 HydrophobicContact CZ-CD1 4.44Å; F543-L626 HydrophobicContact CE1-CD2 4.01Å; F543-L626 HydrophobicContact CZ-CD2 3.68Å
544	E	98.4	Very high	98.2	Very high	63 Å²	63	38 Å²	38	29%	0.294	20%	0.201	S	C	.	.	H	α-helix	trans	-65.7	-31.9	178.8	-67.1	-55.7	167.5	0	0	112.8	K540 T541 W542 Y546 N547 T548	K540-E544 WeakPolarHBondContact O-CG 2.99Å; K540-E544 PolarHBondContact O-N 2.89Å; T541-E544 PolarHBondContact O-N 3.43Å; W542-E544 PolarHBondContact O-N 2.58Å; E544-Y546 VanDerWaalsContact C-N 3.34Å; E544-Y546 PolarHBondContact O-N 3.48Å; E544-N547 PolarHBondContact O-N 3.47Å; E544-T548 WeakPolarHBondContact O-CB 3.47Å; E544-T548 VanDerWaalsContact O-CG2 3.28Å; E544-T548 WeakPolarHBondContact O-CG2 3.43Å; E544-T548 PolarHBondContact O-N 2.79Å; E544-T548 PolarHBondContact O-OG1 3.26Å
545	W	98.5	Very high	98.2	Very high	10 Å²	10	38.9 Å²	38.9	4%	0.038	22%	0.219	C	C	.	.	H	α-helix	trans	-60.2	-44.2	173.6	179	86.1	0	0	0	111.3	E471 W473 N497 A500 T541 W542 F543 T548 T549	E471-W545 WeakPolarHBondContact O-CB 3.26Å; W473-W545 HydrophobicContact CB-CD2 4.38Å; W473-W545 HydrophobicContact CB-CZ2 4.17Å; W473-W545 AromaticContact CD1-CH2 3.71Å; W473-W545 AromaticContact CD1-CZ2 3.5Å; W473-W545 VanDerWaalsContact CD1-CZ2 3.5Å; W473-W545 HydrophobicContact CG-CZ2 4.16Å; N497-W545 VanDerWaalsContact O-CZ2 3.3Å; N497-W545 WeakPolarHBondContact O-CZ2 3.48Å; A500-W545 HydrophobicContact CB-CH2 3.61Å; A500-W545 HydrophobicContact CB-CZ3 3.68Å; T541-W545 WeakPolarHBondContact O-CB 3.34Å; T541-W545 PolarHBondContact O-N 3.45Å; W542-W545 WeakPolarHBondContact O-CB 3.35Å; W542-W545 PolarHBondContact O-N 3.05Å; F543-W545 VanDerWaalsContact C-N 3.29Å; F543-W545 PolarHBondContact O-N 3.1Å; W545-T548 PolarHBondContact O-OG1 2.82Å; W545-T549 HydrophobicContact CD2-CG2 4.45Å; W545-T549 HydrophobicContact CG-CG2 4.23Å; W545-T549 VanDerWaalsContact O-CB 3.28Å; W545-T549 WeakPolarHBondContact O-CB 3.43Å; W545-T549 VanDerWaalsContact O-CG2 3.31Å; W545-T549 WeakPolarHBondContact O-CG2 3.4Å; W545-T549 PolarHBondContact O-N 3.39Å; W545-T549 PolarHBondContact O-OG1 3.17Å
546	Y	98.4	Very high	98.1	Very high	4 Å²	4	41.8 Å²	41.8	2%	0.016	23%	0.234	C	C	.	.	H	α-helix	trans	-62.4	-49.3	171.5	-80	-91	0	0	0	111.4	A500 N501 P503 W542 F543 E544 T548 Q550 W560 L598 M602	A500-Y546 HydrophobicContact CB-CD1 4.39Å; A500-Y546 HydrophobicContact CB-CE1 3.7Å; N501-Y546 PolarHBondContact N-OH 3.08Å; N501-Y546 VanDerWaalsContact O-CE1 3.28Å; N501-Y546 WeakPolarHBondContact O-CE1 3.11Å; N501-Y546 PolarHBondContact O-OH 3.43Å; P503-Y546 HydrophobicContact CB-CE2 4.27Å; W542-Y546 HydrophobicContact CD2-CE2 4.17Å; W542-Y546 AromaticContact CE2-CE2 3.6Å; W542-Y546 HydrophobicContact CG-CE2 4.43Å; W542-Y546 AromaticContact CZ2-CE2 3.95Å; W542-Y546 HydrophobicContact CZ2-CE2 3.95Å; W542-Y546 AromaticContact NE1-CE2 3.52Å; W542-Y546 WeakPolarHBondContact O-CD2 3.38Å; W542-Y546 PolarHBondContact O-N 2.95Å; F543-Y546 PolarHBondContact O-N 3.39Å; E544-Y546 VanDerWaalsContact C-N 3.34Å; E544-Y546 PolarHBondContact O-N 3.48Å; Y546-T548 PolarHBondContact O-N 3.09Å; Y546-T548 VanDerWaalsContact O-N 3.13Å; Y546-Q550 HydrophobicContact CD1-CG 4.12Å; Y546-Q550 WeakPolarHBondContact O-CB 3.44Å; Y546-Q550 PolarHBondContact O-N 3.46Å; Y546-Q550 VanDerWaalsContact O-N 3.08Å; Y546-W560 HydrophobicContact CE1-CZ3 4.49Å; Y546-L598 HydrophobicContact CD1-CD1 4.42Å; Y546-M602 VanDerWaalsContact CB-SD 3.56Å; Y546-M602 HydrophobicContact CD1-SD 4.4Å; Y546-M602 HydrophobicContact CG-SD 4.18Å
547	N	97.5	Very high	98.1	Very high	38 Å²	38	41.3 Å²	41.3	20%	0.203	23%	0.232	C	C	.	.	H	α-helix	trans	-66	-16.9	-173.2	-161.3	39.9	0	0	0	113.7	F543 E544 T551 Y558 M602	F543-N547 HydrophobicContact CE1-CB 4.31Å; F543-N547 WeakPolarHBondContact O-CB 3.28Å; F543-N547 PolarHBondContact O-N 3.37Å; E544-N547 PolarHBondContact O-N 3.47Å; N547-T551 WeakPolarHBondContact O-CG2 3.48Å; N547-Y558 PolarHBondContact OD1-OH 2.74Å; N547-M602 HydrophobicContact CB-CE 3.96Å
548	T	97	Very high	98.1	Very high	83 Å²	83	39 Å²	39	51%	0.509	22%	0.217	S	C	.	.	H	α-helix	trans	-105.9	-47.2	177.5	55.7	0	0	0	0	112.4	E544 W545 Y546 T551	E544-T548 WeakPolarHBondContact O-CB 3.47Å; E544-T548 VanDerWaalsContact O-CG2 3.28Å; E544-T548 WeakPolarHBondContact O-CG2 3.43Å; E544-T548 PolarHBondContact O-N 2.79Å; E544-T548 PolarHBondContact O-OG1 3.26Å; W545-T548 PolarHBondContact O-OG1 2.82Å; Y546-T548 PolarHBondContact O-N 3.09Å; Y546-T548 VanDerWaalsContact O-N 3.13Å; T548-T551 PolarHBondContact O-OG1 3.13Å; T548-T551 VanDerWaalsContact O-OG1 3.1Å
549	T	97.6	Very high	98.1	Very high	49 Å²	49	40.8 Å²	40.8	30%	0.301	22%	0.224	S	C	.	.	H	α-helix	trans	-82.6	-27.3	-171.1	68.7	0	0	0	0	113.5	W545 R561	W545-T549 HydrophobicContact CD2-CG2 4.45Å; W545-T549 HydrophobicContact CG-CG2 4.23Å; W545-T549 VanDerWaalsContact O-CB 3.28Å; W545-T549 WeakPolarHBondContact O-CB 3.43Å; W545-T549 VanDerWaalsContact O-CG2 3.31Å; W545-T549 WeakPolarHBondContact O-CG2 3.4Å; W545-T549 PolarHBondContact O-N 3.39Å; W545-T549 PolarHBondContact O-OG1 3.17Å; T549-R561 VanDerWaalsContact O-CZ 3.25Å; T549-R561 PolarHBondContact O-NE 2.87Å; T549-R561 VanDerWaalsContact O-NE 3.16Å; T549-R561 PolarHBondContact O-NH2 2.9Å; T549-R561 VanDerWaalsContact O-NH2 3.09Å
550	Q	98.1	Very high	98.1	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	13.9	-175.9	-47.6	-60	-57.2	0	0	113.3	E498 A500 Y546 Y558 R559 L598	E498-Q550 PolarHBondContact O-NE2 3.22Å; A500-Q550 HydrophobicContact CB-CG 4.11Å; Y546-Q550 HydrophobicContact CD1-CG 4.12Å; Y546-Q550 WeakPolarHBondContact O-CB 3.44Å; Y546-Q550 PolarHBondContact O-N 3.46Å; Y546-Q550 VanDerWaalsContact O-N 3.08Å; Q550-Y558 CarbonylContact O-C 3.6Å; Q550-Y558 WeakPolarHBondContact O-CA 3.36Å; Q550-R559 PolarHBondContact O-N 3.28Å; Q550-L598 HydrophobicContact CB-CD2 3.84Å
551	T	97.9	Very high	98	Very high	59 Å²	59	38 Å²	38	36%	0.362	21%	0.21	S	C	.	.	B	Isolated β-bridge	trans	-57.1	142	176.7	48.3	0	0	0	0	112.5	N547 T548 R561	N547-T551 WeakPolarHBondContact O-CG2 3.48Å; T548-T551 PolarHBondContact O-OG1 3.13Å; T548-T551 VanDerWaalsContact O-OG1 3.1Å; T551-R561 VanDerWaalsContact O-CZ 3.25Å; T551-R561 PolarHBondContact O-NH1 3.34Å; T551-R561 PolarHBondContact O-NH2 2.84Å
552	G	97.7	Very high	97.6	Very high	17 Å²	17	37.7 Å²	37.7	18%	0.175	21%	0.214	C	C	.	.			trans	-90.4	178.9	175.2	0	0	0	0	0	112.3	K554 S557	G552-K554 VanDerWaalsContact C-N 3.29Å; G552-K554 PolarHBondContact O-N 3.03Å; G552-S557 WeakPolarHBondContact CA-O 3.46Å; G552-S557 WeakPolarHBondContact CA-OG 3.32Å; G552-S557 PolarHBondContact N-O 3.31Å
553	P	97.6	Very high	97.3	Very high	68 Å²	68	38.5 Å²	38.5	44%	0.442	22%	0.217	S	C	.	.	S	Bend	trans	-72.9	-17.7	-177.1	31.1	-38.9	0	0	0	114.2	E593 R594	P553-E593 WeakPolarHBondContact CD-O 3.43Å; P553-R594 HydrophobicContact CG-CG 4.1Å
554	K	97.9	Very high	96.6	Very high	102 Å²	102	40.5 Å²	40.5	44%	0.443	23%	0.228	S	C	.	.	S	Bend	trans	-109.1	153	176	-70.1	-168.2	173.9	-170.2	0	110.8	G552 N556 S557 L639	G552-K554 VanDerWaalsContact C-N 3.29Å; G552-K554 PolarHBondContact O-N 3.03Å; K554-N556 PolarHBondContact O-N 3.1Å; K554-S557 WeakPolarHBondContact CA-OG 3.37Å; K554-S557 PolarHBondContact N-OG 3.2Å; K554-S557 WeakPolarHBondContact O-CB 3.46Å; K554-S557 PolarHBondContact O-N 2.94Å; K554-S557 VanDerWaalsContact O-N 3.08Å; K554-S557 PolarHBondContact O-OG 3.33Å; K554-L639 HydrophobicContact CB-CD2 4.18Å; K554-L639 HydrophobicContact CD-CD2 3.95Å
555	P	97.6	Very high	95.7	Very high	107 Å²	107	46.3 Å²	46.3	70%	0.695	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.7	136	171.2	-26.3	34.9	0	0	0	111.4	S557	P555-S557 PolarHBondContact O-N 2.86Å
556	N	97.1	Very high	94.6	Very high	62 Å²	62	49.6 Å²	49.6	33%	0.332	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.6	12.6	179.3	-53.4	-44.1	0	0	0	115.5	K554 H599 V629 L630 L635	K554-N556 PolarHBondContact O-N 3.1Å; N556-H599 PolarHBondContact O-ND1 3.04Å; N556-V629 HydrophobicContact CB-CG1 4.43Å; N556-V629 WeakPolarHBondContact ND2-CG1 3.42Å; N556-L630 HydrophobicContact CB-CD2 3.86Å; N556-L635 HydrophobicContact CB-CD2 3.94Å
557	S	98.5	Very high	93.5	Very high	3 Å²	3	51.2 Å²	51.2	2%	0.021	28%	0.281	C	S	.	.			trans	-94.6	156.9	168.1	72.1	0	0	0	0	110.3	G552 K554 P555	G552-S557 WeakPolarHBondContact CA-O 3.46Å; G552-S557 WeakPolarHBondContact CA-OG 3.32Å; G552-S557 PolarHBondContact N-O 3.31Å; K554-S557 WeakPolarHBondContact CA-OG 3.37Å; K554-S557 PolarHBondContact N-OG 3.2Å; K554-S557 WeakPolarHBondContact O-CB 3.46Å; K554-S557 PolarHBondContact O-N 2.94Å; K554-S557 VanDerWaalsContact O-N 3.08Å; K554-S557 PolarHBondContact O-OG 3.33Å; P555-S557 PolarHBondContact O-N 2.86Å
558	Y	98.7	Very high	92.5	Very high	4 Å²	4	54.6 Å²	54.6	2%	0.016	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-131.3	156.2	179.4	-62.1	-89.9	0	0	0	111.7	N547 Q550 H595 L598 H599 M602 L630	N547-Y558 PolarHBondContact OD1-OH 2.74Å; Q550-Y558 CarbonylContact O-C 3.6Å; Q550-Y558 WeakPolarHBondContact O-CA 3.36Å; Y558-H595 PolarHBondContact O-N 3.44Å; Y558-L598 HydrophobicContact CG-CG 4.28Å; Y558-H599 HydrophobicContact CD2-CB 4.31Å; Y558-M602 HydrophobicContact CD1-CG 3.89Å; Y558-M602 HydrophobicContact CD2-CB 4.24Å; Y558-M602 HydrophobicContact CD2-CG 4.16Å; Y558-M602 HydrophobicContact CE1-CB 4.23Å; Y558-M602 HydrophobicContact CE1-CE 4.32Å; Y558-M602 HydrophobicContact CE1-CG 3.67Å; Y558-M602 HydrophobicContact CE2-CB 3.7Å; Y558-M602 HydrophobicContact CE2-CG 3.93Å; Y558-M602 HydrophobicContact CG-CG 4.13Å; Y558-L630 HydrophobicContact CE2-CD1 4.06Å; Y558-L630 HydrophobicContact CE2-CD2 3.85Å
559	R	98.5	Very high	91.5	Very high	46 Å²	46	53.4 Å²	53.4	17%	0.174	29%	0.29	C	S	.	.			trans	-148.6	117.7	179.7	177.3	-177.9	67.4	77.7	-4.6	111.2	Q550 R561 A591 E593	Q550-R559 PolarHBondContact O-N 3.28Å; R559-R561 VanDerWaalsContact NH2-CZ 3.25Å; R559-R561 PolarHBondContact O-N 3.38Å; R559-R561 PolarHBondContact O-NH1 2.91Å; R559-A591 PolarHBondContact NE-O 3.48Å; R559-E593 WeakPolarHBondContact CB-O 3.49Å; R559-E593 WeakPolarHBondContact CD-O 3.31Å; R559-E593 HydrophobicContact CG-CB 3.94Å
560	W	98.3	Very high	91	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.282	C	S	.	.			trans	-46.5	127.2	165.5	-63.8	119.1	0	0	0	113.2	A500 P502 Y546 T575 H595 D597 L598	A500-W560 HydrophobicContact CB-CE3 4Å; A500-W560 HydrophobicContact CB-CZ3 3.64Å; P502-W560 HydrophobicContact CG-CH2 4.17Å; P502-W560 HydrophobicContact CG-CZ2 4.3Å; Y546-W560 HydrophobicContact CE1-CZ3 4.49Å; W560-T575 HydrophobicContact CB-CG2 3.85Å; W560-T575 HydrophobicContact CG-CG2 4.1Å; W560-H595 AromaticContact CD1-CG 3.8Å; W560-H595 AromaticContact CD1-ND1 3.44Å; W560-H595 AromaticContact CG-ND1 3.8Å; W560-H595 PolarHBondContact N-ND1 3.47Å; W560-D597 PolarHBondContact NE1-OD1 2.93Å; W560-D597 PolarHBondContact NE1-OD2 3.44Å; W560-L598 HydrophobicContact CD2-CB 4.29Å; W560-L598 HydrophobicContact CD2-CD2 3.9Å; W560-L598 HydrophobicContact CD2-CG 4.47Å; W560-L598 HydrophobicContact CE3-CD1 4.38Å; W560-L598 HydrophobicContact CE3-CD2 4.02Å; W560-L598 HydrophobicContact CG-CD2 4.29Å; W560-L598 HydrophobicContact CH2-CD1 3.64Å; W560-L598 HydrophobicContact CH2-CG 4.48Å; W560-L598 HydrophobicContact CZ2-CB 3.88Å; W560-L598 HydrophobicContact CZ2-CD1 3.81Å; W560-L598 HydrophobicContact CZ2-CG 4.26Å; W560-L598 HydrophobicContact CZ3-CD1 3.94Å; W560-L598 HydrophobicContact CZ3-CD2 4.4Å
561	R	96.4	Very high	90.7	Very high	44 Å²	44	53.1 Å²	53.1	17%	0.166	28%	0.284	C	S	.	.	S	Bend	trans	-85.3	171.4	166.7	-53.6	-52	-172.2	-116.4	2.3	110.9	E498 T549 T551 R559 R563 T577	E498-R561 HydrophobicContact CB-CB 4.44Å; E498-R561 WeakPolarHBondContact O-CB 3.38Å; T549-R561 VanDerWaalsContact O-CZ 3.25Å; T549-R561 PolarHBondContact O-NE 2.87Å; T549-R561 VanDerWaalsContact O-NE 3.16Å; T549-R561 PolarHBondContact O-NH2 2.9Å; T549-R561 VanDerWaalsContact O-NH2 3.09Å; T551-R561 VanDerWaalsContact O-CZ 3.25Å; T551-R561 PolarHBondContact O-NH1 3.34Å; T551-R561 PolarHBondContact O-NH2 2.84Å; R559-R561 VanDerWaalsContact NH2-CZ 3.25Å; R559-R561 PolarHBondContact O-N 3.38Å; R559-R561 PolarHBondContact O-NH1 2.91Å; R561-R563 PolarHBondContact O-N 3.39Å; R561-T577 WeakPolarHBondContact O-CB 3.48Å; R561-T577 WeakPolarHBondContact O-CG2 3.33Å; R561-T577 PolarHBondContact O-OG1 2.97Å
562	G	91.4	Very high	90.5	Very high	30 Å²	30	50.4 Å²	50.4	31%	0.309	27%	0.267	S	S	.	.			trans	77.9	11.6	174.5	0	0	0	0	0	116.4	N499	N499-G562 VanDerWaalsContact OD1-CA 3.26Å; N499-G562 WeakPolarHBondContact OD1-CA 3.2Å
563	R	92.5	Very high	90.4	Very high	18 Å²	18	49.6 Å²	49.6	7%	0.068	26%	0.259	C	S	.	.			trans	-62.1	143.3	171.2	-72.6	-164.8	69.4	-160.2	-0.7	111	R561 K565 P573 K574 T575 A586 E593	R561-R563 PolarHBondContact O-N 3.39Å; R563-K565 PolarHBondContact O-N 3.05Å; R563-P573 PolarHBondContact NH2-O 3.45Å; R563-K574 WeakPolarHBondContact CA-O 3.34Å; R563-T575 WeakPolarHBondContact CD-OG1 3.3Å; R563-T575 HydrophobicContact CG-CG2 3.73Å; R563-T575 PolarHBondContact NE-OG1 3.2Å; R563-A586 PolarHBondContact NH1-O 2.84Å; R563-A586 VanDerWaalsContact NH1-O 3.09Å; R563-A586 PolarHBondContact NH2-O 3.32Å; R563-E593 WeakPolarHBondContact CD-OE2 3.41Å; R563-E593 IonicContact CZ-OE1 2.91Å; R563-E593 VanDerWaalsContact NH1-CD 3.28Å; R563-E593 IonicContact NH1-OE1 3.8Å; R563-E593 PolarHBondContact NH1-OE1 3.47Å; R563-E593 IonicContact NH1-OE2 2.86Å; R563-E593 PolarHBondContact NH1-OE2 3.47Å
564	D	84	Confident	90.2	Very high	44 Å²	44	48 Å²	48	24%	0.235	25%	0.245	C	C	.	.			trans	-58.1	127.7	175.6	-77	-46.6	0	0	0	110.5	Y570 P573 K574	D564-Y570 HydrophobicContact CB-CD2 4.05Å; D564-Y570 HydrophobicContact CB-CE2 3.82Å; D564-Y570 WeakPolarHBondContact OD2-CE2 3.5Å; D564-P573 HydrophobicContact CB-CB 3.93Å; D564-P573 WeakPolarHBondContact O-CB 3.18Å; D564-K574 PolarHBondContact N-O 3.28Å; D564-K574 VanDerWaalsContact OD2-CB 3.31Å; D564-K574 WeakPolarHBondContact OD2-CB 3.46Å; D564-K574 PolarHBondContact OD2-N 3.47Å
565	K	77.9	Confident	90.1	Very high	184 Å²	184	43.1 Å²	43.1	80%	0.8	22%	0.223	S	C	*	.			trans	-89.9	-20.8	-179.9	-63.3	-178.9	-175.5	173	0	112.7	R563 T567	R563-K565 PolarHBondContact O-N 3.05Å; K565-T567 PolarHBondContact O-N 3.21Å; K565-T567 VanDerWaalsContact O-N 3.12Å
566	D	75.6	Confident	90	Very high	80 Å²	80	40.6 Å²	40.6	43%	0.428	20%	0.204	S	C	.	.			trans	-76.6	101.7	178.2	-170.5	-7.1	0	0	0	110.2	N568 Y570	D566-N568 VanDerWaalsContact C-N 3.32Å; D566-N568 WeakPolarHBondContact OD1-CB 3.42Å; D566-N568 PolarHBondContact OD1-N 3.38Å; D566-Y570 WeakPolarHBondContact O-CD2 3.47Å
567	T	75.7	Confident	89.9	Confident	37 Å²	37	37.7 Å²	37.7	23%	0.227	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-10.7	177.6	50.1	0	0	0	0	113.1	K565 P573 R683	K565-T567 PolarHBondContact O-N 3.21Å; K565-T567 VanDerWaalsContact O-N 3.12Å; T567-P573 HydrophobicContact CG2-CG 3.98Å; T567-R683 VanDerWaalsContact CB-NH1 3.34Å; T567-R683 WeakPolarHBondContact O-CD 3.36Å; T567-R683 PolarHBondContact O-NH1 2.75Å
568	N	76.9	Confident	89.9	Confident	109 Å²	109	37.5 Å²	37.5	58%	0.583	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-29.8	-175.5	-62.9	-44.8	0	0	0	112.8	D566 R683	D566-N568 VanDerWaalsContact C-N 3.32Å; D566-N568 WeakPolarHBondContact OD1-CB 3.42Å; D566-N568 PolarHBondContact OD1-N 3.38Å; N568-R683 PolarHBondContact O-N 3.49Å
569	L	75.6	Confident	89.8	Confident	59 Å²	59	37.5 Å²	37.5	31%	0.309	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-42.9	-177	-166.9	79.1	0	0	0	112.7	T751	L569-T751 HydrophobicContact CG-CG2 4.44Å
570	Y	87.4	Confident	89.8	Confident	36 Å²	36	35.3 Å²	35.3	14%	0.141	18%	0.18	C	C	.	.			trans	-101.6	138.4	-170.7	-58.4	-70.5	0	0	0	112.2	D564 D566 N572 K574 R683 T751	D564-Y570 HydrophobicContact CB-CD2 4.05Å; D564-Y570 HydrophobicContact CB-CE2 3.82Å; D564-Y570 WeakPolarHBondContact OD2-CE2 3.5Å; D566-Y570 WeakPolarHBondContact O-CD2 3.47Å; Y570-N572 VanDerWaalsContact C-N 3.27Å; Y570-N572 PolarHBondContact O-N 2.9Å; Y570-K574 HydrophobicContact CE1-CD 4.25Å; Y570-R683 VanDerWaalsContact O-CD 3.32Å; Y570-R683 WeakPolarHBondContact O-CD 3.41Å; Y570-T751 HydrophobicContact CD1-CG2 3.38Å; Y570-T751 HydrophobicContact CE1-CG2 3.7Å; Y570-T751 HydrophobicContact CG-CG2 4.4Å
571	L	91.6	Very high	89.6	Confident	6 Å²	6	37.1 Å²	37.1	3%	0.031	19%	0.189	C	C	.	.	S	Bend	trans	-56	-44.4	169.4	-179.5	55.5	0	0	0	111.4	V658 L660 L745 E748 N750	L571-V658 HydrophobicContact CD1-CB 4.15Å; L571-V658 HydrophobicContact CD1-CG2 3.79Å; L571-L660 HydrophobicContact CB-CD1 4.02Å; L571-L660 HydrophobicContact CB-CD2 4.08Å; L571-L660 HydrophobicContact CB-CG 3.92Å; L571-L660 HydrophobicContact CD1-CG 4.22Å; L571-L660 HydrophobicContact CD2-CD1 4.41Å; L571-L660 HydrophobicContact CD2-CG 4.49Å; L571-L660 HydrophobicContact CG-CG 4.44Å; L571-L745 HydrophobicContact CD1-CD2 4.44Å; L571-L745 HydrophobicContact CD2-CD2 3.51Å; L571-L745 HydrophobicContact CG-CD2 3.88Å; L571-E748 HydrophobicContact CD2-CB 4.11Å; L571-N750 PolarHBondContact N-O 2.77Å; L571-N750 PolarHBondContact N-OD1 3.37Å
572	N	94.7	Very high	89.6	Confident	2 Å²	2	35.4 Å²	35.4	1%	0.011	18%	0.184	C	C	.	.	S	Bend	trans	-136.8	125.2	168.4	-167.4	-96.1	0	0	0	109.1	Y570 K574 R585 L745 N750	Y570-N572 VanDerWaalsContact C-N 3.27Å; Y570-N572 PolarHBondContact O-N 2.9Å; N572-K574 PolarHBondContact O-N 3.38Å; N572-R585 PolarHBondContact ND2-O 2.89Å; N572-R585 PolarHBondContact OD1-N 2.94Å; N572-R585 VanDerWaalsContact OD1-N 3.09Å; N572-L745 HydrophobicContact CB-CD1 4.26Å; N572-N750 PolarHBondContact N-OD1 2.81Å; N572-N750 PolarHBondContact O-ND2 3.45Å; N572-N750 PolarHBondContact O-OD1 3.32Å
573	P	94.2	Very high	89.9	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.169	C	C	.	.			trans	-60.6	134.4	-178	-25.1	35.4	0	0	0	112.9	R563 D564 T567 P589	R563-P573 PolarHBondContact NH2-O 3.45Å; D564-P573 HydrophobicContact CB-CB 3.93Å; D564-P573 WeakPolarHBondContact O-CB 3.18Å; T567-P573 HydrophobicContact CG2-CG 3.98Å; P573-P589 HydrophobicContact CB-CG 3.86Å; P573-P589 HydrophobicContact CG-CG 3.84Å
574	K	94.2	Very high	90.1	Very high	34 Å²	34	33.4 Å²	33.4	15%	0.148	17%	0.167	C	C	.	.			trans	-68.8	159.2	-172.7	-57.5	177.7	-177.9	175.5	0	111.8	R563 D564 Y570 N572 L576 D581 D754	R563-K574 WeakPolarHBondContact CA-O 3.34Å; D564-K574 PolarHBondContact N-O 3.28Å; D564-K574 VanDerWaalsContact OD2-CB 3.31Å; D564-K574 WeakPolarHBondContact OD2-CB 3.46Å; D564-K574 PolarHBondContact OD2-N 3.47Å; Y570-K574 HydrophobicContact CE1-CD 4.25Å; N572-K574 PolarHBondContact O-N 3.38Å; K574-L576 HydrophobicContact CB-CD2 4.14Å; K574-L576 HydrophobicContact CB-CG 4.42Å; K574-L576 HydrophobicContact CD-CD2 4.14Å; K574-D581 CarbonylContact C-O 3.6Å; K574-D581 VanDerWaalsContact CA-O 3.25Å; K574-D581 WeakPolarHBondContact CA-O 3.37Å; K574-D581 VanDerWaalsContact CB-O 3.27Å; K574-D581 WeakPolarHBondContact CB-O 3.37Å; K574-D754 WeakPolarHBondContact CE-OD2 3.37Å; K574-D754 IonicContact NZ-OD1 3.19Å; K574-D754 PolarHBondContact NZ-OD1 2.74Å; K574-D754 IonicContact NZ-OD2 3.89Å; K574-D754 PolarHBondContact NZ-OD2 3.39Å
575	T	95.8	Very high	90.8	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.156	C	C	.	.			trans	-129.9	63.4	174.7	-45.1	0	0	0	0	109.9	W560 R563 T577 S578 D581 R585	W560-T575 HydrophobicContact CB-CG2 3.85Å; W560-T575 HydrophobicContact CG-CG2 4.1Å; R563-T575 WeakPolarHBondContact CD-OG1 3.3Å; R563-T575 HydrophobicContact CG-CG2 3.73Å; R563-T575 PolarHBondContact NE-OG1 3.2Å; T575-T577 PolarHBondContact O-N 2.85Å; T575-S578 PolarHBondContact O-N 2.99Å; T575-S578 PolarHBondContact O-OG 3.01Å; T575-D581 PolarHBondContact N-O 2.85Å; T575-R585 WeakPolarHBondContact OG1-CD 3.48Å
576	L	94.1	Very high	91.7	Very high	55 Å²	55	22.6 Å²	22.6	29%	0.288	12%	0.118	S	C	.	.	G	3₁₀ helix	trans	-53.8	-29.6	-177.6	-54.7	-178.8	0	0	0	113.2	K574 S578 G579 D581	K574-L576 HydrophobicContact CB-CD2 4.14Å; K574-L576 HydrophobicContact CB-CG 4.42Å; K574-L576 HydrophobicContact CD-CD2 4.14Å; L576-S578 VanDerWaalsContact C-N 3.26Å; L576-S578 PolarHBondContact O-N 3.37Å; L576-G579 PolarHBondContact O-N 3.46Å; L576-D581 HydrophobicContact CD2-CB 3.74Å; L576-D581 WeakPolarHBondContact CD2-OD2 3.23Å
577	T	96.3	Very high	92.7	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-67.3	-23.8	178.1	49.5	0	0	0	0	113.2	N499 A500 N501 R561 T575 G579	N499-T577 HydrophobicContact CB-CG2 3.51Å; A500-T577 WeakPolarHBondContact O-CA 3.4Å; A500-T577 WeakPolarHBondContact O-CB 3.37Å; N501-T577 VanDerWaalsContact CA-O 3.25Å; N501-T577 WeakPolarHBondContact CA-O 3.41Å; N501-T577 PolarHBondContact ND2-O 3.3Å; R561-T577 WeakPolarHBondContact O-CB 3.48Å; R561-T577 WeakPolarHBondContact O-CG2 3.33Å; R561-T577 PolarHBondContact O-OG1 2.97Å; T575-T577 PolarHBondContact O-N 2.85Å; T577-G579 VanDerWaalsContact C-N 3.34Å
578	S	97.8	Very high	93.6	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-80.9	-12.7	176.8	68.8	0	0	0	0	114.1	P502 T575 L576 L580 R585	P502-S578 WeakPolarHBondContact CD-O 3.4Å; P502-S578 WeakPolarHBondContact CG-O 3.38Å; T575-S578 PolarHBondContact O-N 2.99Å; T575-S578 PolarHBondContact O-OG 3.01Å; L576-S578 VanDerWaalsContact C-N 3.26Å; L576-S578 PolarHBondContact O-N 3.37Å; S578-L580 WeakPolarHBondContact O-CD1 3.36Å; S578-L580 PolarHBondContact O-N 3.25Å; S578-L580 PolarHBondContact OG-N 3.1Å; S578-R585 PolarHBondContact OG-NH2 3.01Å
579	G	96.8	Very high	94.5	Very high	3 Å²	3	15.3 Å²	15.3	3%	0.031	8%	0.079	C	C	.	.	S	Bend	trans	78.1	-10.9	-169.7	0	0	0	0	0	114.3	L576 T577 W758	L576-G579 PolarHBondContact O-N 3.46Å; T577-G579 VanDerWaalsContact C-N 3.34Å; G579-W758 WeakPolarHBondContact O-CZ2 3.48Å; G579-W758 PolarHBondContact O-NE1 3Å
580	L	97.9	Very high	95.4	Very high	1 Å²	1	14 Å²	14	1%	0.005	8%	0.075	C	C	.	.			trans	-107.8	71.2	174	-63.7	88	0	0	0	109.8	S578 D582 Y583 Y699 V700 W758	S578-L580 WeakPolarHBondContact O-CD1 3.36Å; S578-L580 PolarHBondContact O-N 3.25Å; S578-L580 PolarHBondContact OG-N 3.1Å; L580-D582 PolarHBondContact O-N 3.22Å; L580-Y583 HydrophobicContact CD2-CD2 4.23Å; L580-Y583 WeakPolarHBondContact O-CB 3.42Å; L580-Y583 PolarHBondContact O-N 2.78Å; L580-Y699 HydrophobicContact CD2-CD2 4.32Å; L580-V700 HydrophobicContact CD2-CG2 4.25Å; L580-W758 HydrophobicContact CB-CD2 4.09Å; L580-W758 HydrophobicContact CB-CE3 4.41Å; L580-W758 HydrophobicContact CB-CG 4.12Å; L580-W758 HydrophobicContact CD2-CD2 4.4Å; L580-W758 HydrophobicContact CD2-CE3 3.89Å; L580-W758 HydrophobicContact CD2-CZ3 4.27Å; L580-W758 HydrophobicContact CG-CD2 4.04Å; L580-W758 HydrophobicContact CG-CE3 3.91Å; L580-W758 HydrophobicContact CG-CZ3 4.2Å
581	D	94.3	Very high	95.8	Very high	37 Å²	37	15.6 Å²	15.6	20%	0.198	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.7	-55.4	-161.5	-72.5	5.8	0	0	0	115.6	K574 T575 L576	K574-D581 CarbonylContact C-O 3.6Å; K574-D581 VanDerWaalsContact CA-O 3.25Å; K574-D581 WeakPolarHBondContact CA-O 3.37Å; K574-D581 VanDerWaalsContact CB-O 3.27Å; K574-D581 WeakPolarHBondContact CB-O 3.37Å; T575-D581 PolarHBondContact N-O 2.85Å; L576-D581 HydrophobicContact CD2-CB 3.74Å; L576-D581 WeakPolarHBondContact CD2-OD2 3.23Å
582	D	96.5	Very high	96.1	Very high	8 Å²	8	18.8 Å²	18.8	4%	0.043	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	10.5	-176.1	72.3	-31.3	0	0	0	113.4	L580 Y757 W758 R759	L580-D582 PolarHBondContact O-N 3.22Å; D582-Y757 WeakPolarHBondContact OD1-CB 3.22Å; D582-Y757 PolarHBondContact OD2-N 3.08Å; D582-W758 WeakPolarHBondContact OD1-CA 3.34Å; D582-W758 WeakPolarHBondContact OD1-CB 3.4Å; D582-W758 PolarHBondContact OD1-N 3.05Å; D582-R759 PolarHBondContact O-NE 2.85Å; D582-R759 PolarHBondContact O-NH2 2.64Å; D582-R759 VanDerWaalsContact O-NH2 3.08Å; D582-R759 WeakPolarHBondContact OD2-CD 3.45Å; D582-R759 WeakPolarHBondContact OD2-CG 3.45Å; D582-R759 IonicContact OD2-NE 3.08Å; D582-R759 PolarHBondContact OD2-NE 2.83Å
583	Y	98.3	Very high	96.3	Very high	3 Å²	3	18.8 Å²	18.8	1%	0.012	11%	0.112	C	C	.	.			trans	-56.9	128.3	175.3	-173.3	-80	0	0	0	109.6	L580 R585 A696 G698 V700 S738 L739	L580-Y583 HydrophobicContact CD2-CD2 4.23Å; L580-Y583 WeakPolarHBondContact O-CB 3.42Å; L580-Y583 PolarHBondContact O-N 2.78Å; Y583-R585 PolarHBondContact O-N 2.63Å; Y583-A696 HydrophobicContact CE1-CB 4.16Å; Y583-A696 PolarHBondContact OH-O 3.35Å; Y583-G698 WeakPolarHBondContact OH-CA 3.17Å; Y583-G698 PolarHBondContact OH-N 3Å; Y583-G698 VanDerWaalsContact OH-N 3.09Å; Y583-V700 HydrophobicContact CD1-CB 4.12Å; Y583-V700 HydrophobicContact CD1-CG2 3.47Å; Y583-V700 VanDerWaalsContact CD1-CG2 3.47Å; Y583-V700 HydrophobicContact CD2-CG2 4.11Å; Y583-V700 HydrophobicContact CE1-CB 3.49Å; Y583-V700 VanDerWaalsContact CE1-CB 3.49Å; Y583-V700 HydrophobicContact CE1-CG1 4.37Å; Y583-V700 HydrophobicContact CE1-CG2 3.39Å; Y583-V700 HydrophobicContact CE2-CB 4.25Å; Y583-V700 HydrophobicContact CE2-CG2 3.98Å; Y583-V700 HydrophobicContact CG-CG2 3.85Å; Y583-S738 WeakPolarHBondContact CE2-O 3.37Å; Y583-L739 HydrophobicContact CE2-CD1 4.15Å
584	P	97.5	Very high	96.5	Very high	4 Å²	4	19.2 Å²	19.2	3%	0.026	11%	0.114	C	C	.	.			trans	-59.2	121.6	-176	-28	37	0	0	0	113.7	A696 L739 L745	P584-A696 HydrophobicContact CB-CB 3.89Å; P584-A696 WeakPolarHBondContact O-CB 3.23Å; P584-L739 HydrophobicContact CG-CD1 4.14Å; P584-L739 HydrophobicContact CG-CD2 3.75Å; P584-L745 HydrophobicContact CB-CD1 3.83Å; P584-L745 HydrophobicContact CG-CB 3.91Å; P584-L745 HydrophobicContact CG-CD1 3.73Å; P584-L745 HydrophobicContact CG-CG 4.42Å
585	R	97.8	Very high	96.7	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	11%	0.107	C	C	.	.			trans	-118.9	-167.1	169.4	-59.8	-165.6	-171.2	-106.3	4.3	110.8	N572 T575 S578 Y583 S587 D597 D650	N572-R585 PolarHBondContact ND2-O 2.89Å; N572-R585 PolarHBondContact OD1-N 2.94Å; N572-R585 VanDerWaalsContact OD1-N 3.09Å; T575-R585 WeakPolarHBondContact OG1-CD 3.48Å; S578-R585 PolarHBondContact OG-NH2 3.01Å; Y583-R585 PolarHBondContact O-N 2.63Å; R585-S587 PolarHBondContact O-N 3.29Å; R585-D597 IonicContact CZ-OD1 3.64Å; R585-D597 IonicContact CZ-OD2 2.82Å; R585-D597 IonicContact NH1-OD1 2.73Å; R585-D597 PolarHBondContact NH1-OD1 3.04Å; R585-D597 IonicContact NH1-OD2 3.7Å; R585-D597 IonicContact NH2-OD1 3.33Å; R585-D597 IonicContact NH2-OD2 3.04Å; R585-D597 PolarHBondContact NH2-OD2 3.22Å; R585-D650 WeakPolarHBondContact CD-OD2 3.24Å; R585-D650 IonicContact CZ-OD2 3.25Å; R585-D650 IonicContact NE-OD2 3.87Å; R585-D650 IonicContact NH1-OD1 3.22Å; R585-D650 IonicContact NH1-OD2 2.68Å; R585-D650 PolarHBondContact NH1-OD2 3.35Å
586	A	97.4	Very high	96.8	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.008	11%	0.107	C	C	.	.			trans	-51.7	132.2	174.9	0	0	0	0	0	110.1	R563 H588 E593 H654 V694	R563-A586 PolarHBondContact NH1-O 2.84Å; R563-A586 VanDerWaalsContact NH1-O 3.09Å; R563-A586 PolarHBondContact NH2-O 3.32Å; A586-H588 VanDerWaalsContact C-N 3.28Å; A586-H588 PolarHBondContact O-N 3.09Å; A586-E593 HydrophobicContact CB-CG 4.27Å; A586-H654 HydrophobicContact CB-CB 4.39Å; A586-V694 HydrophobicContact CB-CG2 4Å
587	S	95.3	Very high	97.1	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.093	C	C	.	.	S	Bend	trans	-76.3	-20.5	-166.8	68.2	0	0	0	0	112.3	R585 N653 H654 T655 R683	R585-S587 PolarHBondContact O-N 3.29Å; S587-N653 PolarHBondContact N-O 3.27Å; S587-H654 PolarHBondContact N-ND1 2.98Å; S587-T655 PolarHBondContact OG-N 3.33Å; S587-T655 PolarHBondContact OG-O 2.96Å; S587-R683 PolarHBondContact O-NH1 2.91Å; S587-R683 PolarHBondContact O-NH2 3.43Å
588	H	95.1	Very high	97.2	Very high	33 Å²	33	15 Å²	15	15%	0.153	9%	0.093	C	C	.	.	S	Bend	trans	-124.4	98.8	175.8	-60.2	84.3	0	0	0	108.4	A586 S590 N653 R683 P689	A586-H588 VanDerWaalsContact C-N 3.28Å; A586-H588 PolarHBondContact O-N 3.09Å; H588-S590 PolarHBondContact O-N 3.04Å; H588-N653 HydrophobicContact CB-CB 4.4Å; H588-N653 PolarHBondContact N-O 3.12Å; H588-R683 PolarHBondContact CE1-NH2 2.87Å; H588-R683 PolarHBondContact NE2-NH2 3.07Å; H588-P689 HydrophobicContact CB-CG 4.37Å; H588-P689 WeakPolarHBondContact ND1-CB 3.47Å; H588-P689 VanDerWaalsContact ND1-CG 3.31Å; H588-P689 WeakPolarHBondContact ND1-CG 3.28Å
589	P	95.8	Very high	97.2	Very high	40 Å²	40	15 Å²	15	26%	0.26	9%	0.093	S	C	.	.			trans	-57	130.9	-175.7	-27.9	35.8	0	0	0	113.4	P573 E593	P573-P589 HydrophobicContact CB-CG 3.86Å; P573-P589 HydrophobicContact CG-CG 3.84Å; P589-E593 WeakPolarHBondContact CA-OE1 3.43Å
590	S	95.2	Very high	97.3	Very high	32 Å²	32	14.9 Å²	14.9	22%	0.224	9%	0.092	C	C	.	.			trans	-142.5	171.4	177.3	85.9	0	0	0	0	112.5	H588 D592 E593	H588-S590 PolarHBondContact O-N 3.04Å; S590-D592 PolarHBondContact O-N 2.84Å; S590-D592 WeakPolarHBondContact OG-CB 3.47Å; S590-D592 PolarHBondContact OG-N 2.9Å; S590-D592 PolarHBondContact OG-OD2 2.72Å; S590-E593 PolarHBondContact N-OE1 2.57Å; S590-E593 WeakPolarHBondContact O-CG 3.32Å
591	A	95.6	Very high	97.4	Very high	68 Å²	68	15 Å²	15	56%	0.562	9%	0.092	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-16	174.8	0	0	0	0	0	112.9	R559 E593	R559-A591 PolarHBondContact NE-O 3.48Å; A591-E593 VanDerWaalsContact C-N 3.27Å; A591-E593 PolarHBondContact O-N 3.14Å
592	D	97.5	Very high	97.6	Very high	74 Å²	74	13.3 Å²	13.3	40%	0.396	8%	0.083	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-1.2	-176.1	-49.5	-69.3	0	0	0	113.8	S590 L691	S590-D592 PolarHBondContact O-N 2.84Å; S590-D592 WeakPolarHBondContact OG-CB 3.47Å; S590-D592 PolarHBondContact OG-N 2.9Å; S590-D592 PolarHBondContact OG-OD2 2.72Å; D592-L691 HydrophobicContact CB-CD2 3.78Å
593	E	98.4	Very high	97.7	Very high	2 Å²	2	13 Å²	13	1%	0.009	8%	0.082	C	C	.	.			trans	-67.5	146.7	-177.6	-60	176.2	166.4	0	0	112.4	P553 R559 R563 A586 P589 S590 A591 H595 Y651	P553-E593 WeakPolarHBondContact CD-O 3.43Å; R559-E593 WeakPolarHBondContact CB-O 3.49Å; R559-E593 WeakPolarHBondContact CD-O 3.31Å; R559-E593 HydrophobicContact CG-CB 3.94Å; R563-E593 WeakPolarHBondContact CD-OE2 3.41Å; R563-E593 IonicContact CZ-OE1 2.91Å; R563-E593 VanDerWaalsContact NH1-CD 3.28Å; R563-E593 IonicContact NH1-OE1 3.8Å; R563-E593 PolarHBondContact NH1-OE1 3.47Å; R563-E593 IonicContact NH1-OE2 2.86Å; R563-E593 PolarHBondContact NH1-OE2 3.47Å; A586-E593 HydrophobicContact CB-CG 4.27Å; P589-E593 WeakPolarHBondContact CA-OE1 3.43Å; S590-E593 PolarHBondContact N-OE1 2.57Å; S590-E593 WeakPolarHBondContact O-CG 3.32Å; A591-E593 VanDerWaalsContact C-N 3.27Å; A591-E593 PolarHBondContact O-N 3.14Å; E593-H595 IonicContact OE2-CE1 3.84Å; E593-H595 PolarHBondContact OE2-CE1 3.4Å; E593-H595 IonicContact OE2-NE2 3.92Å; E593-H595 PolarHBondContact OE2-NE2 3.47Å; E593-Y651 CarbonylContact C-O 3.55Å; E593-Y651 WeakPolarHBondContact CA-O 3.33Å
594	R	98.6	Very high	97.7	Very high	9 Å²	9	13.9 Å²	13.9	3%	0.034	9%	0.086	C	C	.	.	B	Isolated β-bridge	trans	-129.7	126	169.6	-53.8	-171.4	-61.9	-90.3	3.6	108	P553 L639 D650 Y651	P553-R594 HydrophobicContact CG-CG 4.1Å; R594-L639 PolarHBondContact NE-O 3.16Å; R594-L639 PolarHBondContact NH2-O 3.03Å; R594-D650 VanDerWaalsContact O-CA 3.32Å; R594-D650 WeakPolarHBondContact O-CA 3.36Å; R594-Y651 VanDerWaalsContact CZ-CG 3.43Å; R594-Y651 PolarHBondContact N-O 2.83Å; R594-Y651 PolarHBondContact O-N 2.87Å
595	H	98.9	Very high	97.8	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	9%	0.086	C	C	.	.			trans	-110.6	113.2	-174.3	-64.6	149	0	0	0	110.8	Y558 W560 E593 D597 L598 H599 D650	Y558-H595 PolarHBondContact O-N 3.44Å; W560-H595 AromaticContact CD1-CG 3.8Å; W560-H595 AromaticContact CD1-ND1 3.44Å; W560-H595 AromaticContact CG-ND1 3.8Å; W560-H595 PolarHBondContact N-ND1 3.47Å; E593-H595 IonicContact OE2-CE1 3.84Å; E593-H595 PolarHBondContact OE2-CE1 3.4Å; E593-H595 IonicContact OE2-NE2 3.92Å; E593-H595 PolarHBondContact OE2-NE2 3.47Å; H595-D597 PolarHBondContact O-N 3.33Å; H595-L598 HydrophobicContact CB-CB 4.39Å; H595-L598 PolarHBondContact O-N 3.22Å; H595-H599 PolarHBondContact O-N 2.93Å; H595-D650 VanDerWaalsContact CA-OD1 3.29Å; H595-D650 WeakPolarHBondContact CA-OD1 3.46Å; H595-D650 IonicContact CD2-OD2 3.5Å; H595-D650 PolarHBondContact CD2-OD2 2.81Å
596	V	98.8	Very high	97.8	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-69.5	-34.6	-170.9	65.1	0	0	0	0	112.4	L598 H599 C600 L636 H640 F648 D650 V700 P704	V596-L598 PolarHBondContact O-N 3Å; V596-H599 WeakPolarHBondContact O-CB 3.49Å; V596-H599 PolarHBondContact O-N 3.46Å; V596-C600 PolarHBondContact O-N 3.13Å; V596-C600 PolarHBondContact O-SG 3.2Å; V596-L636 HydrophobicContact CG2-CD1 4.37Å; V596-H640 HydrophobicContact CB-CB 4.21Å; V596-H640 HydrophobicContact CG2-CB 3.85Å; V596-F648 HydrophobicContact CG2-CB 4.32Å; V596-D650 PolarHBondContact N-OD1 3.07Å; V596-V700 HydrophobicContact CG1-CG1 3.48Å; V596-V700 VanDerWaalsContact CG1-CG1 3.48Å; V596-V700 WeakPolarHBondContact CG1-O 3.34Å; V596-P704 HydrophobicContact CG2-CG 4.04Å
597	D	98.8	Very high	97.9	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-61.4	-44.2	176.6	57.2	-37.7	0	0	0	111.6	W560 R585 H595 C600 W601 V700 F703	W560-D597 PolarHBondContact NE1-OD1 2.93Å; W560-D597 PolarHBondContact NE1-OD2 3.44Å; R585-D597 IonicContact CZ-OD1 3.64Å; R585-D597 IonicContact CZ-OD2 2.82Å; R585-D597 IonicContact NH1-OD1 2.73Å; R585-D597 PolarHBondContact NH1-OD1 3.04Å; R585-D597 IonicContact NH1-OD2 3.7Å; R585-D597 IonicContact NH2-OD1 3.33Å; R585-D597 IonicContact NH2-OD2 3.04Å; R585-D597 PolarHBondContact NH2-OD2 3.22Å; H595-D597 PolarHBondContact O-N 3.33Å; D597-C600 PolarHBondContact O-N 3.25Å; D597-W601 PolarHBondContact O-N 3.41Å; D597-V700 HydrophobicContact CB-CG1 4.34Å; D597-F703 HydrophobicContact CB-CB 4.41Å; D597-F703 HydrophobicContact CB-CD1 3.81Å; D597-F703 HydrophobicContact CB-CD2 3.7Å; D597-F703 HydrophobicContact CB-CE1 3.94Å; D597-F703 HydrophobicContact CB-CE2 3.8Å; D597-F703 HydrophobicContact CB-CG 3.69Å; D597-F703 HydrophobicContact CB-CZ 3.92Å
598	L	98.8	Very high	98.1	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-68.2	-38.1	177	-177.7	55.1	0	0	0	112.5	Y546 Q550 Y558 W560 H595 V596 C600 W601 M602	Y546-L598 HydrophobicContact CD1-CD1 4.42Å; Q550-L598 HydrophobicContact CB-CD2 3.84Å; Y558-L598 HydrophobicContact CG-CG 4.28Å; W560-L598 HydrophobicContact CD2-CB 4.29Å; W560-L598 HydrophobicContact CD2-CD2 3.9Å; W560-L598 HydrophobicContact CD2-CG 4.47Å; W560-L598 HydrophobicContact CE3-CD1 4.38Å; W560-L598 HydrophobicContact CE3-CD2 4.02Å; W560-L598 HydrophobicContact CG-CD2 4.29Å; W560-L598 HydrophobicContact CH2-CD1 3.64Å; W560-L598 HydrophobicContact CH2-CG 4.48Å; W560-L598 HydrophobicContact CZ2-CB 3.88Å; W560-L598 HydrophobicContact CZ2-CD1 3.81Å; W560-L598 HydrophobicContact CZ2-CG 4.26Å; W560-L598 HydrophobicContact CZ3-CD1 3.94Å; W560-L598 HydrophobicContact CZ3-CD2 4.4Å; H595-L598 HydrophobicContact CB-CB 4.39Å; H595-L598 PolarHBondContact O-N 3.22Å; V596-L598 PolarHBondContact O-N 3Å; L598-C600 VanDerWaalsContact C-N 3.27Å; L598-C600 PolarHBondContact O-N 2.71Å; L598-W601 PolarHBondContact O-N 3.25Å; L598-M602 HydrophobicContact CD1-CG 4.33Å; L598-M602 WeakPolarHBondContact O-CG 3.34Å; L598-M602 PolarHBondContact O-N 3.28Å
599	H	98.8	Very high	98.2	Very high	0 Å²	0	13 Å²	13	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-54.6	-47.6	171	-179.4	110	0	0	0	110.9	N556 Y558 H595 V596 W601 M602 A603 L630	N556-H599 PolarHBondContact O-ND1 3.04Å; Y558-H599 HydrophobicContact CD2-CB 4.31Å; H595-H599 PolarHBondContact O-N 2.93Å; V596-H599 WeakPolarHBondContact O-CB 3.49Å; V596-H599 PolarHBondContact O-N 3.46Å; H599-W601 PolarHBondContact O-N 2.85Å; H599-M602 PolarHBondContact O-N 3Å; H599-A603 PolarHBondContact O-N 2.94Å; H599-L630 PolarHBondContact NE2-O 2.86Å
600	C	98.9	Very high	98.4	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-65.5	-39	-179.2	-62	0	0	0	0	112.2	V596 D597 L598 M602 A603 L604 F703 L707 I709	V596-C600 PolarHBondContact O-N 3.13Å; V596-C600 PolarHBondContact O-SG 3.2Å; D597-C600 PolarHBondContact O-N 3.25Å; L598-C600 VanDerWaalsContact C-N 3.27Å; L598-C600 PolarHBondContact O-N 2.71Å; C600-M602 VanDerWaalsContact C-N 3.31Å; C600-M602 PolarHBondContact O-N 3.21Å; C600-A603 WeakPolarHBondContact O-CB 3.42Å; C600-A603 PolarHBondContact O-N 3.43Å; C600-L604 PolarHBondContact O-N 3.41Å; C600-F703 HydrophobicContact CB-CB 3.96Å; C600-F703 HydrophobicContact CB-CD1 4.3Å; C600-L707 HydrophobicContact CB-CD1 3.9Å; C600-I709 HydrophobicContact CB-CD1 3.52Å
601	W	98.9	Very high	98.5	Very high	3 Å²	3	12.7 Å²	12.7	1%	0.011	8%	0.084	C	C	.	.	H	α-helix	trans	-61.5	-38	173.4	-76.8	122.1	0	0	0	113	P502 P503 T504 L507 D597 L598 H599 L604 S605 F703 L707 L769	P502-W601 HydrophobicContact CB-CD2 4.34Å; P502-W601 HydrophobicContact CB-CZ2 4Å; P503-W601 HydrophobicContact CG-CB 4.03Å; P503-W601 HydrophobicContact CG-CG 4.43Å; T504-W601 HydrophobicContact CG2-CH2 3.87Å; T504-W601 HydrophobicContact CG2-CZ2 4.18Å; T504-W601 HydrophobicContact CG2-CZ3 4.39Å; L507-W601 HydrophobicContact CD1-CH2 4.07Å; L507-W601 HydrophobicContact CD1-CZ3 4.16Å; L507-W601 HydrophobicContact CG-CZ3 4.28Å; D597-W601 PolarHBondContact O-N 3.41Å; L598-W601 PolarHBondContact O-N 3.25Å; H599-W601 PolarHBondContact O-N 2.85Å; W601-L604 HydrophobicContact CE3-CD2 4.01Å; W601-L604 HydrophobicContact CZ3-CD2 3.82Å; W601-S605 VanDerWaalsContact O-CB 3.26Å; W601-S605 WeakPolarHBondContact O-CB 3.45Å; W601-S605 PolarHBondContact O-N 2.58Å; W601-S605 PolarHBondContact O-OG 2.91Å; W601-F703 AromaticContact CE2-CE1 3.68Å; W601-F703 AromaticContact CZ2-CE1 3.84Å; W601-F703 HydrophobicContact CZ2-CE1 3.84Å; W601-F703 AromaticContact NE1-CE1 3.35Å; W601-L707 HydrophobicContact CD2-CD1 3.93Å; W601-L707 HydrophobicContact CE3-CD1 3.75Å; W601-L707 HydrophobicContact CG-CD1 4.47Å; W601-L707 HydrophobicContact CH2-CD1 4.44Å; W601-L707 HydrophobicContact CH2-CD2 4.18Å; W601-L707 HydrophobicContact CZ3-CD1 4.01Å; W601-L707 HydrophobicContact CZ3-CD2 4.13Å; W601-L769 HydrophobicContact CH2-CD1 4.46Å
602	M	98.8	Very high	98.7	Very high	2 Å²	2	9.4 Å²	9.4	1%	0.01	6%	0.058	C	C	.	.	H	α-helix	trans	-72.9	-34.7	177.4	-66.8	-53.5	-61.3	0	0	112.1	F543 Y546 N547 Y558 L598 H599 C600 S606 L630	F543-M602 HydrophobicContact CD2-CE 4.13Å; F543-M602 HydrophobicContact CE2-CE 3.59Å; F543-M602 HydrophobicContact CZ-CE 3.84Å; Y546-M602 VanDerWaalsContact CB-SD 3.56Å; Y546-M602 HydrophobicContact CD1-SD 4.4Å; Y546-M602 HydrophobicContact CG-SD 4.18Å; N547-M602 HydrophobicContact CB-CE 3.96Å; Y558-M602 HydrophobicContact CD1-CG 3.89Å; Y558-M602 HydrophobicContact CD2-CB 4.24Å; Y558-M602 HydrophobicContact CD2-CG 4.16Å; Y558-M602 HydrophobicContact CE1-CB 4.23Å; Y558-M602 HydrophobicContact CE1-CE 4.32Å; Y558-M602 HydrophobicContact CE1-CG 3.67Å; Y558-M602 HydrophobicContact CE2-CB 3.7Å; Y558-M602 HydrophobicContact CE2-CG 3.93Å; Y558-M602 HydrophobicContact CG-CG 4.13Å; L598-M602 HydrophobicContact CD1-CG 4.33Å; L598-M602 WeakPolarHBondContact O-CG 3.34Å; L598-M602 PolarHBondContact O-N 3.28Å; H599-M602 PolarHBondContact O-N 3Å; C600-M602 VanDerWaalsContact C-N 3.31Å; C600-M602 PolarHBondContact O-N 3.21Å; M602-S606 WeakPolarHBondContact O-CB 3.33Å; M602-S606 PolarHBondContact O-N 3.33Å; M602-S606 PolarHBondContact O-OG 2.71Å; M602-L630 HydrophobicContact CB-CD1 3.85Å
603	A	98.8	Very high	98.7	Very high	1 Å²	1	5.9 Å²	5.9	1%	0.008	4%	0.039	C	C	.	.	H	α-helix	trans	-60.9	-46.5	171.8	0	0	0	0	0	111.6	H599 C600 S606 G607 H627 L630 I709	H599-A603 PolarHBondContact O-N 2.94Å; C600-A603 WeakPolarHBondContact O-CB 3.42Å; C600-A603 PolarHBondContact O-N 3.43Å; A603-S606 PolarHBondContact O-OG 3.02Å; A603-G607 PolarHBondContact O-N 3.07Å; A603-H627 PolarHBondContact O-ND1 3.44Å; A603-L630 HydrophobicContact CB-CB 3.74Å; A603-I709 HydrophobicContact CB-CD1 3.77Å; A603-I709 HydrophobicContact CB-CG1 4.41Å
604	L	98.8	Very high	98.7	Very high	22 Å²	22	12 Å²	12	12%	0.115	7%	0.067	C	C	.	.	H	α-helix	trans	-64.3	-51.5	176.3	179.4	68.9	0	0	0	111.6	L507 C600 W601 S606 G607 I608 L707	L507-L604 HydrophobicContact CD2-CD2 3.66Å; L507-L604 HydrophobicContact CG-CD2 4.38Å; C600-L604 PolarHBondContact O-N 3.41Å; W601-L604 HydrophobicContact CE3-CD2 4.01Å; W601-L604 HydrophobicContact CZ3-CD2 3.82Å; L604-S606 VanDerWaalsContact C-N 3.32Å; L604-S606 PolarHBondContact O-N 3.43Å; L604-G607 PolarHBondContact O-N 3.27Å; L604-I608 HydrophobicContact CD1-CD1 3.88Å; L604-I608 HydrophobicContact CD2-CD1 4.45Å; L604-I608 HydrophobicContact CG-CD1 3.78Å; L604-I608 PolarHBondContact O-N 3.27Å; L604-L707 HydrophobicContact CB-CD1 4.31Å; L604-L707 HydrophobicContact CD2-CD1 4.24Å; L604-L707 HydrophobicContact CD2-CD2 4.24Å
605	S	98.8	Very high	98.6	Very high	1 Å²	1	15 Å²	15	1%	0.007	8%	0.084	C	C	.	.	H	α-helix	trans	-59.2	-40.5	-176.6	-57.6	0	0	0	0	112.6	P503 F506 W601 I608 M609	P503-S605 WeakPolarHBondContact CG-OG 3.42Å; F506-S605 WeakPolarHBondContact CD2-OG 3.48Å; W601-S605 VanDerWaalsContact O-CB 3.26Å; W601-S605 WeakPolarHBondContact O-CB 3.45Å; W601-S605 PolarHBondContact O-N 2.58Å; W601-S605 PolarHBondContact O-OG 2.91Å; S605-I608 PolarHBondContact O-N 3.43Å; S605-M609 WeakPolarHBondContact O-CB 3.38Å; S605-M609 WeakPolarHBondContact O-CG 3.45Å; S605-M609 PolarHBondContact O-N 3.02Å
606	S	98.8	Very high	98.5	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-65.8	-38.4	179	49.6	0	0	0	0	112.8	M602 A603 L604 M609 A610 H627	M602-S606 WeakPolarHBondContact O-CB 3.33Å; M602-S606 PolarHBondContact O-N 3.33Å; M602-S606 PolarHBondContact O-OG 2.71Å; A603-S606 PolarHBondContact O-OG 3.02Å; L604-S606 VanDerWaalsContact C-N 3.32Å; L604-S606 PolarHBondContact O-N 3.43Å; S606-M609 PolarHBondContact O-N 3.1Å; S606-A610 WeakPolarHBondContact O-CB 2.86Å; S606-A610 PolarHBondContact O-N 3.43Å; S606-H627 VanDerWaalsContact OG-CA 3.24Å; S606-H627 WeakPolarHBondContact OG-CA 3.4Å; S606-H627 WeakPolarHBondContact OG-CB 3.26Å
607	G	98.7	Very high	98.4	Very high	11 Å²	11	19.4 Å²	19.4	11%	0.113	12%	0.124	C	C	.	.	H	α-helix	trans	-66.1	-39.3	175.8	0	0	0	0	0	112.6	A603 L604 A610 S611 H627	A603-G607 PolarHBondContact O-N 3.07Å; L604-G607 PolarHBondContact O-N 3.27Å; G607-A610 PolarHBondContact O-N 3.04Å; G607-S611 PolarHBondContact O-N 3.28Å; G607-S611 PolarHBondContact O-OG 3.31Å; G607-H627 WeakPolarHBondContact CA-ND1 3.44Å; G607-H627 PolarHBondContact N-ND1 3.46Å
608	I	98.7	Very high	98.4	Very high	9 Å²	9	23.4 Å²	23.4	5%	0.046	14%	0.143	C	C	.	.	H	α-helix	trans	-70.7	-39.4	176.7	-62.3	161.5	0	0	0	110.5	F506 L509 Q510 I513 L604 S605 A610 S611 I612	F506-I608 HydrophobicContact CB-CD1 3.78Å; F506-I608 HydrophobicContact CD1-CB 3.96Å; F506-I608 HydrophobicContact CD1-CG2 3.7Å; F506-I608 HydrophobicContact CE1-CG2 4.4Å; F506-I608 WeakPolarHBondContact O-CD1 3.27Å; L509-I608 HydrophobicContact CB-CG2 4.38Å; Q510-I608 HydrophobicContact CB-CD1 3.87Å; Q510-I608 HydrophobicContact CB-CG1 4.15Å; I513-I608 HydrophobicContact CD1-CG2 4.36Å; L604-I608 HydrophobicContact CD1-CD1 3.88Å; L604-I608 HydrophobicContact CD2-CD1 4.45Å; L604-I608 HydrophobicContact CG-CD1 3.78Å; L604-I608 PolarHBondContact O-N 3.27Å; S605-I608 PolarHBondContact O-N 3.43Å; I608-A610 PolarHBondContact O-N 3.2Å; I608-S611 PolarHBondContact O-N 2.99Å; I608-I612 HydrophobicContact CG2-CD1 3.91Å; I608-I612 HydrophobicContact CG2-CG1 4.39Å; I608-I612 WeakPolarHBondContact O-CG1 3.34Å; I608-I612 PolarHBondContact O-N 2.95Å
609	M	98.8	Very high	98.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-58.1	-45.5	171	-80.1	-61.8	-66	0	0	112.1	F506 F536 L539 K540 F543 S605 S606 S611 I612 A613 Y623	F506-M609 HydrophobicContact CE1-CG 3.77Å; F506-M609 HydrophobicContact CE1-SD 3.83Å; F506-M609 HydrophobicContact CZ-CG 3.84Å; F506-M609 HydrophobicContact CZ-SD 3.96Å; F536-M609 HydrophobicContact CE2-CE 3.86Å; F536-M609 HydrophobicContact CZ-CE 4.46Å; L539-M609 HydrophobicContact CB-SD 4.43Å; L539-M609 HydrophobicContact CD2-SD 3.59Å; L539-M609 VanDerWaalsContact CD2-SD 3.59Å; L539-M609 HydrophobicContact CG-SD 3.53Å; L539-M609 VanDerWaalsContact CG-SD 3.53Å; K540-M609 HydrophobicContact CB-CE 4.34Å; F543-M609 HydrophobicContact CB-CE 4.38Å; F543-M609 HydrophobicContact CB-CG 4.15Å; F543-M609 HydrophobicContact CB-SD 4.29Å; F543-M609 HydrophobicContact CD2-CG 3.74Å; F543-M609 HydrophobicContact CE2-CG 4.32Å; F543-M609 HydrophobicContact CG-CG 3.87Å; S605-M609 WeakPolarHBondContact O-CB 3.38Å; S605-M609 WeakPolarHBondContact O-CG 3.45Å; S605-M609 PolarHBondContact O-N 3.02Å; S606-M609 PolarHBondContact O-N 3.1Å; M609-S611 VanDerWaalsContact C-N 3.32Å; M609-S611 PolarHBondContact O-N 3.47Å; M609-I612 PolarHBondContact O-N 3.34Å; M609-A613 VanDerWaalsContact O-CB 3.23Å; M609-A613 WeakPolarHBondContact O-CB 3.3Å; M609-A613 PolarHBondContact O-N 2.66Å; M609-Y623 HydrophobicContact CB-CD1 4.05Å; M609-Y623 HydrophobicContact CB-CD2 4.08Å; M609-Y623 HydrophobicContact CB-CG 3.81Å; M609-Y623 HydrophobicContact CE-CD2 4.35Å; M609-Y623 HydrophobicContact CE-CE1 4.05Å; M609-Y623 HydrophobicContact CE-CE2 3.76Å
610	A	98.8	Very high	98.3	Very high	10 Å²	10	31 Å²	31	8%	0.083	19%	0.187	C	C	.	.	H	α-helix	trans	-59.8	-43.8	176.5	0	0	0	0	0	111.4	S606 G607 I608 A613 Q614 K624	S606-A610 WeakPolarHBondContact O-CB 2.86Å; S606-A610 PolarHBondContact O-N 3.43Å; G607-A610 PolarHBondContact O-N 3.04Å; I608-A610 PolarHBondContact O-N 3.2Å; A610-A613 PolarHBondContact O-N 3.1Å; A610-Q614 VanDerWaalsContact O-CB 3.31Å; A610-Q614 WeakPolarHBondContact O-CB 3.34Å; A610-Q614 PolarHBondContact O-N 3.09Å; A610-K624 HydrophobicContact CB-CB 4.14Å
611	S	98.4	Very high	98.3	Very high	54 Å²	54	36.1 Å²	36.1	38%	0.378	21%	0.211	S	C	.	.	H	α-helix	trans	-64.5	-47.1	179.1	-56.9	0	0	0	0	112.2	G607 I608 M609 Q614 L615	G607-S611 PolarHBondContact O-N 3.28Å; G607-S611 PolarHBondContact O-OG 3.31Å; I608-S611 PolarHBondContact O-N 2.99Å; M609-S611 VanDerWaalsContact C-N 3.32Å; M609-S611 PolarHBondContact O-N 3.47Å; S611-Q614 PolarHBondContact O-N 3.3Å; S611-L615 VanDerWaalsContact O-CG 3.3Å; S611-L615 WeakPolarHBondContact O-CG 3.4Å; S611-L615 PolarHBondContact O-N 3.49Å
612	I	98.4	Very high	98.2	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-61.6	-47.7	176.4	-67.9	169.7	0	0	0	110.5	L509 I513 L532 F536 L539 I608 M609 Q614 L615 L616	L509-I612 HydrophobicContact CB-CD1 4.32Å; L509-I612 HydrophobicContact CD1-CD1 4.24Å; I513-I612 HydrophobicContact CD1-CD1 3.91Å; I513-I612 HydrophobicContact CD1-CG1 3.25Å; I513-I612 HydrophobicContact CG1-CG1 4.32Å; L532-I612 HydrophobicContact CD2-CD1 4.3Å; L532-I612 HydrophobicContact CD2-CG1 4.47Å; F536-I612 HydrophobicContact CD2-CG2 3.71Å; F536-I612 HydrophobicContact CE2-CG2 4.19Å; L539-I612 HydrophobicContact CD2-CD1 3.52Å; I608-I612 HydrophobicContact CG2-CD1 3.91Å; I608-I612 HydrophobicContact CG2-CG1 4.39Å; I608-I612 WeakPolarHBondContact O-CG1 3.34Å; I608-I612 PolarHBondContact O-N 2.95Å; M609-I612 PolarHBondContact O-N 3.34Å; I612-Q614 VanDerWaalsContact C-N 3.32Å; I612-Q614 PolarHBondContact O-N 2.7Å; I612-L615 PolarHBondContact O-N 2.93Å; I612-L616 HydrophobicContact CG2-CD1 3.73Å; I612-L616 HydrophobicContact CG2-CG 4.36Å; I612-L616 VanDerWaalsContact O-CG 3.31Å; I612-L616 WeakPolarHBondContact O-CG 3.38Å; I612-L616 PolarHBondContact O-N 2.85Å
613	A	98.5	Very high	98.2	Very high	0 Å²	0	43 Å²	43	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-60.5	-43.9	-179.7	0	0	0	0	0	111.1	F536 M609 A610 L615 L616 G617 E618 H620 Y623	F536-A613 HydrophobicContact CE2-CB 3.84Å; F536-A613 HydrophobicContact CZ-CB 3.7Å; M609-A613 VanDerWaalsContact O-CB 3.23Å; M609-A613 WeakPolarHBondContact O-CB 3.3Å; M609-A613 PolarHBondContact O-N 2.66Å; A610-A613 PolarHBondContact O-N 3.1Å; A613-L615 PolarHBondContact O-N 3.46Å; A613-L616 PolarHBondContact O-N 3.37Å; A613-G617 PolarHBondContact O-N 3.33Å; A613-G617 VanDerWaalsContact O-N 3.08Å; A613-E618 HydrophobicContact CB-CB 4.1Å; A613-E618 PolarHBondContact O-N 3.31Å; A613-H620 HydrophobicContact CB-CB 3.58Å; A613-Y623 HydrophobicContact CB-CD2 4.25Å; A613-Y623 HydrophobicContact CB-CE2 4.47Å
614	Q	97.6	Very high	98.2	Very high	129 Å²	129	47.6 Å²	47.6	60%	0.603	27%	0.267	S	S	*	.	H	α-helix	trans	-60.4	-46	175.6	-174.8	178.6	0.8	0	0	112.1	A610 S611 I612 L616 G617 H620	A610-Q614 VanDerWaalsContact O-CB 3.31Å; A610-Q614 WeakPolarHBondContact O-CB 3.34Å; A610-Q614 PolarHBondContact O-N 3.09Å; S611-Q614 PolarHBondContact O-N 3.3Å; I612-Q614 VanDerWaalsContact C-N 3.32Å; I612-Q614 PolarHBondContact O-N 2.7Å; Q614-L616 PolarHBondContact O-N 2.89Å; Q614-G617 PolarHBondContact O-N 2.86Å; Q614-H620 HydrophobicContact CB-CB 4.48Å
615	L	96.2	Very high	98.2	Very high	74 Å²	74	49.9 Å²	49.9	39%	0.387	28%	0.282	S	S	.	.	H	α-helix	trans	-61.3	-32.5	177.5	-74.2	166.9	0	0	0	113.1	I513 S611 I612 A613	I513-L615 HydrophobicContact CB-CD1 4.39Å; I513-L615 HydrophobicContact CG1-CD1 4.13Å; I513-L615 HydrophobicContact CG2-CD1 3.45Å; I513-L615 VanDerWaalsContact CG2-CD1 3.45Å; S611-L615 VanDerWaalsContact O-CG 3.3Å; S611-L615 WeakPolarHBondContact O-CG 3.4Å; S611-L615 PolarHBondContact O-N 3.49Å; I612-L615 PolarHBondContact O-N 2.93Å; A613-L615 PolarHBondContact O-N 3.46Å
616	L	97.1	Very high	98.2	Very high	19 Å²	19	51 Å²	51	10%	0.099	29%	0.288	C	S	.	.	H	α-helix	trans	-86.4	-9.5	179.9	-65.8	176.1	0	0	0	113.6	L529 L532 R533 F536 I612 A613 Q614 E618	L529-L616 HydrophobicContact CD1-CD2 3.75Å; L529-L616 HydrophobicContact CG-CD2 4.47Å; L532-L616 HydrophobicContact CB-CD1 4.38Å; L532-L616 HydrophobicContact CB-CD2 4.22Å; R533-L616 HydrophobicContact CB-CD2 3.84Å; R533-L616 HydrophobicContact CG-CD2 4.47Å; F536-L616 HydrophobicContact CB-CD1 3.61Å; F536-L616 HydrophobicContact CD1-CD1 4.38Å; F536-L616 HydrophobicContact CD2-CD1 3.96Å; F536-L616 HydrophobicContact CG-CD1 3.74Å; I612-L616 HydrophobicContact CG2-CD1 3.73Å; I612-L616 HydrophobicContact CG2-CG 4.36Å; I612-L616 VanDerWaalsContact O-CG 3.31Å; I612-L616 WeakPolarHBondContact O-CG 3.38Å; I612-L616 PolarHBondContact O-N 2.85Å; A613-L616 PolarHBondContact O-N 3.37Å; Q614-L616 PolarHBondContact O-N 2.89Å; L616-E618 VanDerWaalsContact C-N 3.31Å; L616-E618 HydrophobicContact CB-CG 3.82Å
617	G	97.5	Very high	98.2	Very high	72 Å²	72	52.9 Å²	52.9	74%	0.742	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.2	21.8	-171.6	0	0	0	0	0	113.6	A613 Q614	A613-G617 PolarHBondContact O-N 3.33Å; A613-G617 VanDerWaalsContact O-N 3.08Å; Q614-G617 PolarHBondContact O-N 2.86Å
618	E	98.1	Very high	98.2	Very high	84 Å²	84	55.7 Å²	55.7	39%	0.393	31%	0.309	S	S	.	.			trans	-89.9	158.7	178.8	-66.5	-74.9	171	0	0	111.1	F536 A613 L616 H620	F536-E618 HydrophobicContact CD1-CB 4.39Å; F536-E618 HydrophobicContact CD1-CG 3.8Å; F536-E618 HydrophobicContact CE1-CB 3.6Å; F536-E618 HydrophobicContact CE1-CG 3.5Å; F536-E618 VanDerWaalsContact CE1-CG 3.5Å; F536-E618 HydrophobicContact CZ-CB 3.86Å; F536-E618 HydrophobicContact CZ-CG 4.18Å; A613-E618 HydrophobicContact CB-CB 4.1Å; A613-E618 PolarHBondContact O-N 3.31Å; L616-E618 VanDerWaalsContact C-N 3.31Å; L616-E618 HydrophobicContact CB-CG 3.82Å; E618-H620 PolarHBondContact O-N 3.49Å; E618-H620 VanDerWaalsContact O-N 3.1Å; E618-H620 PolarHBondContact O-ND1 2.87Å
619	P	98	Very high	98.2	Very high	105 Å²	105	57.6 Å²	57.6	68%	0.682	32%	0.321	S	S	*	.			trans	-56.8	117.3	173.1	-24.5	34.6	0	0	0	111.5
620	H	98.1	Very high	98.2	Very high	56 Å²	56	57.6 Å²	57.6	26%	0.259	32%	0.321	S	S	.	.			trans	-119.3	-9.8	-174.3	63.4	-85.4	0	0	0	113.8	A613 Q614 E618 D622 Y623 K624	A613-H620 HydrophobicContact CB-CB 3.58Å; Q614-H620 HydrophobicContact CB-CB 4.48Å; E618-H620 PolarHBondContact O-N 3.49Å; E618-H620 VanDerWaalsContact O-N 3.1Å; E618-H620 PolarHBondContact O-ND1 2.87Å; H620-D622 PolarHBondContact O-N 3.23Å; H620-Y623 PolarHBondContact O-N 2.88Å; H620-K624 PolarHBondContact O-N 2.76Å
621	Q	98.4	Very high	98.1	Very high	107 Å²	107	61.4 Å²	61.4	50%	0.5	33%	0.333	S	S	.	.	H	α-helix	trans	-61.9	-41.7	-170.8	-172.2	60.3	36.1	0	0	112.5	Y623 K624 V625	Q621-Y623 PolarHBondContact O-N 2.94Å; Q621-K624 PolarHBondContact O-N 2.99Å; Q621-V625 HydrophobicContact CG-CG2 4.4Å; Q621-V625 VanDerWaalsContact O-CG2 3.32Å; Q621-V625 WeakPolarHBondContact O-CG2 3.29Å; Q621-V625 PolarHBondContact O-N 2.65Å
622	D	97.8	Very high	98.1	Very high	135 Å²	135	62.2 Å²	62.2	72%	0.722	33%	0.333	S	S	*	.	H	α-helix	trans	-65.3	-40.6	-179.8	-63.4	-20.7	0	0	0	111.8	H620 K624 V625 L626	H620-D622 PolarHBondContact O-N 3.23Å; D622-K624 VanDerWaalsContact C-N 3.34Å; D622-V625 PolarHBondContact O-N 2.92Å; D622-L626 WeakPolarHBondContact O-CB 3.41Å; D622-L626 PolarHBondContact O-N 3.3Å
623	Y	98.6	Very high	98.1	Very high	13 Å²	13	63 Å²	63	5%	0.051	34%	0.337	C	S	.	.	H	α-helix	trans	-64.7	-40.4	175	-58.2	-48.9	0	0	0	111.7	F536 K540 F543 M609 A613 H620 Q621 L626 H627	F536-Y623 HydrophobicContact CZ-CE2 4.35Å; K540-Y623 WeakPolarHBondContact CD-OH 3.39Å; K540-Y623 WeakPolarHBondContact CG-OH 3.47Å; F543-Y623 HydrophobicContact CD1-CD1 4.13Å; F543-Y623 AromaticContact CD1-CE1 3.77Å; F543-Y623 HydrophobicContact CD1-CE1 3.77Å; F543-Y623 AromaticContact CE1-CD1 3.83Å; F543-Y623 HydrophobicContact CE1-CD1 3.83Å; F543-Y623 AromaticContact CE1-CE1 3.87Å; F543-Y623 HydrophobicContact CE1-CE1 3.87Å; F543-Y623 HydrophobicContact CZ-CD1 4.44Å; M609-Y623 HydrophobicContact CB-CD1 4.05Å; M609-Y623 HydrophobicContact CB-CD2 4.08Å; M609-Y623 HydrophobicContact CB-CG 3.81Å; M609-Y623 HydrophobicContact CE-CD2 4.35Å; M609-Y623 HydrophobicContact CE-CE1 4.05Å; M609-Y623 HydrophobicContact CE-CE2 3.76Å; A613-Y623 HydrophobicContact CB-CD2 4.25Å; A613-Y623 HydrophobicContact CB-CE2 4.47Å; H620-Y623 PolarHBondContact O-N 2.88Å; Q621-Y623 PolarHBondContact O-N 2.94Å; Y623-L626 PolarHBondContact O-N 3.17Å; Y623-H627 WeakPolarHBondContact O-CB 3.21Å; Y623-H627 PolarHBondContact O-N 3.45Å
624	K	98.6	Very high	98.1	Very high	99 Å²	99	68.2 Å²	68.2	43%	0.43	37%	0.365	S	S	.	.	H	α-helix	trans	-64.6	-47.6	176.7	-175.3	175.6	-180	177	0	111.5	A610 H620 Q621 D622 L626 H627 D628	A610-K624 HydrophobicContact CB-CB 4.14Å; H620-K624 PolarHBondContact O-N 2.76Å; Q621-K624 PolarHBondContact O-N 2.99Å; D622-K624 VanDerWaalsContact C-N 3.34Å; K624-L626 VanDerWaalsContact C-N 3.34Å; K624-L626 PolarHBondContact O-N 2.86Å; K624-H627 WeakPolarHBondContact O-CB 3.46Å; K624-H627 PolarHBondContact O-N 3.07Å; K624-D628 WeakPolarHBondContact O-CB 3.39Å; K624-D628 PolarHBondContact O-N 2.89Å
625	V	98.6	Very high	98.1	Very high	70 Å²	70	63.9 Å²	63.9	42%	0.424	35%	0.346	S	S	.	.	H	α-helix	trans	-59.9	-45.5	176.7	169.9	0	0	0	0	110.7	Q621 D622 H627 D628 V629	Q621-V625 HydrophobicContact CG-CG2 4.4Å; Q621-V625 VanDerWaalsContact O-CG2 3.32Å; Q621-V625 WeakPolarHBondContact O-CG2 3.29Å; Q621-V625 PolarHBondContact O-N 2.65Å; D622-V625 PolarHBondContact O-N 2.92Å; V625-H627 PolarHBondContact O-N 3.37Å; V625-D628 PolarHBondContact O-N 3.45Å; V625-V629 HydrophobicContact CG1-CG2 4.38Å; V625-V629 WeakPolarHBondContact O-CB 3.26Å; V625-V629 VanDerWaalsContact O-CG2 3.26Å; V625-V629 WeakPolarHBondContact O-CG2 3.22Å; V625-V629 PolarHBondContact O-N 2.94Å
626	L	98.6	Very high	98.2	Very high	24 Å²	24	60.3 Å²	60.3	13%	0.126	33%	0.327	C	S	.	.	H	α-helix	trans	-62.8	-42.8	177	-178.6	59.5	0	0	0	111.8	F543 D622 Y623 K624 V629 L630	F543-L626 HydrophobicContact CE1-CD2 4.01Å; F543-L626 HydrophobicContact CZ-CD2 3.68Å; D622-L626 WeakPolarHBondContact O-CB 3.41Å; D622-L626 PolarHBondContact O-N 3.3Å; Y623-L626 PolarHBondContact O-N 3.17Å; K624-L626 VanDerWaalsContact C-N 3.34Å; K624-L626 PolarHBondContact O-N 2.86Å; L626-V629 PolarHBondContact O-N 3.48Å; L626-L630 HydrophobicContact CD1-CD1 3.8Å; L626-L630 HydrophobicContact CD1-CD2 4.37Å; L626-L630 HydrophobicContact CD1-CG 3.83Å; L626-L630 HydrophobicContact CG-CD1 3.89Å; L626-L630 HydrophobicContact CG-CG 4.28Å; L626-L630 WeakPolarHBondContact O-CB 3.36Å; L626-L630 VanDerWaalsContact O-CG 3.25Å; L626-L630 WeakPolarHBondContact O-CG 3.01Å; L626-L630 PolarHBondContact O-N 3.43Å
627	H	98.7	Very high	98.3	Very high	39 Å²	39	61.1 Å²	61.1	18%	0.181	33%	0.332	C	S	.	.	H	α-helix	trans	-58.2	-48.6	174.3	174.6	67.9	0	0	0	111.9	A603 S606 G607 Y623 K624 V625 V629 L630 R631	A603-H627 PolarHBondContact O-ND1 3.44Å; S606-H627 VanDerWaalsContact OG-CA 3.24Å; S606-H627 WeakPolarHBondContact OG-CA 3.4Å; S606-H627 WeakPolarHBondContact OG-CB 3.26Å; G607-H627 WeakPolarHBondContact CA-ND1 3.44Å; G607-H627 PolarHBondContact N-ND1 3.46Å; Y623-H627 WeakPolarHBondContact O-CB 3.21Å; Y623-H627 PolarHBondContact O-N 3.45Å; K624-H627 WeakPolarHBondContact O-CB 3.46Å; K624-H627 PolarHBondContact O-N 3.07Å; V625-H627 PolarHBondContact O-N 3.37Å; H627-V629 VanDerWaalsContact C-N 3.34Å; H627-V629 PolarHBondContact O-N 3.46Å; H627-L630 PolarHBondContact O-N 3.26Å; H627-R631 WeakPolarHBondContact NE2-CD 3.38Å; H627-R631 PolarHBondContact NE2-NH1 3.33Å; H627-R631 WeakPolarHBondContact O-CB 3.42Å; H627-R631 WeakPolarHBondContact O-CG 3.5Å; H627-R631 PolarHBondContact O-N 3.25Å
628	D	98.6	Very high	98.3	Very high	70 Å²	70	63.4 Å²	63.4	37%	0.374	33%	0.327	S	S	.	.	H	α-helix	trans	-62.8	-39.6	179.6	-68.1	-22.2	0	0	0	111.6	K624 V625 R631 D632	K624-D628 WeakPolarHBondContact O-CB 3.39Å; K624-D628 PolarHBondContact O-N 2.89Å; V625-D628 PolarHBondContact O-N 3.45Å; D628-R631 WeakPolarHBondContact O-CG 3.46Å; D628-D632 PolarHBondContact O-N 2.9Å
629	V	98.6	Very high	98.4	Very high	50 Å²	50	59.8 Å²	59.8	30%	0.303	31%	0.31	S	S	.	.	H	α-helix	trans	-66.5	-47.4	174.5	168.4	0	0	0	0	111.3	N556 V625 L626 H627 R631 D632 L635	N556-V629 HydrophobicContact CB-CG1 4.43Å; N556-V629 WeakPolarHBondContact ND2-CG1 3.42Å; V625-V629 HydrophobicContact CG1-CG2 4.38Å; V625-V629 WeakPolarHBondContact O-CB 3.26Å; V625-V629 VanDerWaalsContact O-CG2 3.26Å; V625-V629 WeakPolarHBondContact O-CG2 3.22Å; V625-V629 PolarHBondContact O-N 2.94Å; L626-V629 PolarHBondContact O-N 3.48Å; H627-V629 VanDerWaalsContact C-N 3.34Å; H627-V629 PolarHBondContact O-N 3.46Å; V629-R631 VanDerWaalsContact C-N 3.32Å; V629-R631 PolarHBondContact O-N 3Å; V629-D632 WeakPolarHBondContact O-CB 3.08Å; V629-D632 PolarHBondContact O-N 3.33Å; V629-L635 HydrophobicContact CG1-CD2 3.78Å; V629-L635 WeakPolarHBondContact O-CD2 3.43Å
630	L	98.6	Very high	98.4	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-72.5	-24.8	-175.7	-67.4	179.5	0	0	0	113.3	N556 Y558 H599 M602 A603 L626 H627	N556-L630 HydrophobicContact CB-CD2 3.86Å; Y558-L630 HydrophobicContact CE2-CD1 4.06Å; Y558-L630 HydrophobicContact CE2-CD2 3.85Å; H599-L630 PolarHBondContact NE2-O 2.86Å; M602-L630 HydrophobicContact CB-CD1 3.85Å; A603-L630 HydrophobicContact CB-CB 3.74Å; L626-L630 HydrophobicContact CD1-CD1 3.8Å; L626-L630 HydrophobicContact CD1-CD2 4.37Å; L626-L630 HydrophobicContact CD1-CG 3.83Å; L626-L630 HydrophobicContact CG-CD1 3.89Å; L626-L630 HydrophobicContact CG-CG 4.28Å; L626-L630 WeakPolarHBondContact O-CB 3.36Å; L626-L630 VanDerWaalsContact O-CG 3.25Å; L626-L630 WeakPolarHBondContact O-CG 3.01Å; L626-L630 PolarHBondContact O-N 3.43Å; H627-L630 PolarHBondContact O-N 3.26Å
631	R	97.8	Very high	98.4	Very high	89 Å²	89	52.6 Å²	52.6	34%	0.336	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-7	174.1	77.1	-171.6	-66.4	-162.1	-2.5	114	H627 D628 V629 N633 I709	H627-R631 WeakPolarHBondContact NE2-CD 3.38Å; H627-R631 PolarHBondContact NE2-NH1 3.33Å; H627-R631 WeakPolarHBondContact O-CB 3.42Å; H627-R631 WeakPolarHBondContact O-CG 3.5Å; H627-R631 PolarHBondContact O-N 3.25Å; D628-R631 WeakPolarHBondContact O-CG 3.46Å; V629-R631 VanDerWaalsContact C-N 3.32Å; V629-R631 PolarHBondContact O-N 3Å; R631-N633 PolarHBondContact O-N 3.16Å; R631-N633 VanDerWaalsContact O-N 3.07Å; R631-N633 PolarHBondContact O-ND2 3.49Å; R631-I709 HydrophobicContact CB-CG2 4.1Å
632	D	98.5	Very high	98.4	Very high	71 Å²	71	47.7 Å²	47.7	38%	0.38	24%	0.244	S	C	.	.			trans	-59.6	115.5	174.3	-175.8	-11.4	0	0	0	109.3	D628 V629 N634 L635 L636	D628-D632 PolarHBondContact O-N 2.9Å; V629-D632 WeakPolarHBondContact O-CB 3.08Å; V629-D632 PolarHBondContact O-N 3.33Å; D632-N634 PolarHBondContact O-N 3.43Å; D632-N634 WeakPolarHBondContact OD1-CB 3.35Å; D632-N634 PolarHBondContact OD1-N 3.38Å; D632-L635 HydrophobicContact CB-CB 4.23Å; D632-L635 PolarHBondContact O-N 2.93Å; D632-L636 WeakPolarHBondContact O-CB 3.45Å; D632-L636 PolarHBondContact O-N 3.44Å
633	N	98.3	Very high	98.3	Very high	17 Å²	17	47.2 Å²	47.2	9%	0.091	24%	0.238	C	C	.	.	H	α-helix	trans	-67.1	-25.4	-176.5	-81	-135.2	0	0	0	111.4	R631 N637 I709 L710 Q711	R631-N633 PolarHBondContact O-N 3.16Å; R631-N633 VanDerWaalsContact O-N 3.07Å; R631-N633 PolarHBondContact O-ND2 3.49Å; N633-N637 VanDerWaalsContact O-CB 3.3Å; N633-N637 WeakPolarHBondContact O-CB 3.32Å; N633-N637 PolarHBondContact O-N 2.98Å; N633-N637 PolarHBondContact O-ND2 3.28Å; N633-N637 PolarHBondContact O-OD1 2.93Å; N633-I709 PolarHBondContact ND2-O 3.49Å; N633-I709 VanDerWaalsContact ND2-O 3.1Å; N633-L710 WeakPolarHBondContact OD1-CA 3.3Å; N633-Q711 PolarHBondContact OD1-N 2.84Å
634	N	98.3	Very high	98.2	Very high	110 Å²	110	54.1 Å²	54.1	59%	0.588	27%	0.271	S	S	*	.	H	α-helix	trans	-68.7	-49.5	174.6	-64.8	-43.4	0	0	0	111.1	D632 L636 N637 D638	D632-N634 PolarHBondContact O-N 3.43Å; D632-N634 WeakPolarHBondContact OD1-CB 3.35Å; D632-N634 PolarHBondContact OD1-N 3.38Å; N634-L636 VanDerWaalsContact C-N 3.32Å; N634-L636 PolarHBondContact O-N 2.88Å; N634-N637 WeakPolarHBondContact O-CB 3.44Å; N634-N637 PolarHBondContact O-N 3.23Å; N634-D638 PolarHBondContact O-N 3.4Å
635	L	98.3	Very high	98	Very high	37 Å²	37	51.3 Å²	51.3	19%	0.194	26%	0.259	C	S	.	.	H	α-helix	trans	-60.3	-44.6	175.7	177.9	64.4	0	0	0	111.3	N556 V629 D632 N637 D638 L639	N556-L635 HydrophobicContact CB-CD2 3.94Å; V629-L635 HydrophobicContact CG1-CD2 3.78Å; V629-L635 WeakPolarHBondContact O-CD2 3.43Å; D632-L635 HydrophobicContact CB-CB 4.23Å; D632-L635 PolarHBondContact O-N 2.93Å; L635-N637 VanDerWaalsContact C-N 3.29Å; L635-N637 PolarHBondContact O-N 2.63Å; L635-D638 PolarHBondContact O-N 3.43Å; L635-L639 HydrophobicContact CD1-CD1 3.87Å; L635-L639 HydrophobicContact CD1-CG 4.04Å; L635-L639 HydrophobicContact CG-CD1 3.96Å; L635-L639 HydrophobicContact CG-CG 4.43Å; L635-L639 WeakPolarHBondContact O-CB 3.24Å; L635-L639 WeakPolarHBondContact O-CG 3.42Å; L635-L639 PolarHBondContact O-N 3.35Å
636	L	98.3	Very high	98	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-59.2	-42.6	177	-179.1	65	0	0	0	111.3	V596 D632 N634 L639 H640 F648 P704 I709 L710	V596-L636 HydrophobicContact CG2-CD1 4.37Å; D632-L636 WeakPolarHBondContact O-CB 3.45Å; D632-L636 PolarHBondContact O-N 3.44Å; N634-L636 VanDerWaalsContact C-N 3.32Å; N634-L636 PolarHBondContact O-N 2.88Å; L636-L639 PolarHBondContact O-N 2.94Å; L636-H640 HydrophobicContact CD1-CB 4.41Å; L636-H640 WeakPolarHBondContact O-CB 3.44Å; L636-H640 PolarHBondContact O-N 3.28Å; L636-F648 HydrophobicContact CD2-CE1 3.92Å; L636-F648 HydrophobicContact CD2-CZ 4.03Å; L636-F648 HydrophobicContact CG-CD1 4.25Å; L636-F648 HydrophobicContact CG-CE1 3.71Å; L636-F648 HydrophobicContact CG-CZ 4.32Å; L636-P704 HydrophobicContact CD1-CG 4.4Å; L636-P704 HydrophobicContact CD2-CB 3.79Å; L636-P704 HydrophobicContact CD2-CG 3.92Å; L636-I709 HydrophobicContact CD2-CG2 4.25Å; L636-L710 HydrophobicContact CD2-CD2 4.07Å
637	N	98.3	Very high	97.9	Very high	35 Å²	35	53.8 Å²	53.8	19%	0.187	26%	0.261	C	S	.	.	H	α-helix	trans	-63.2	-46.7	175.9	-70.4	-25	0	0	0	111.6	N633 N634 L635 L639 H640 W641 F648	N633-N637 VanDerWaalsContact O-CB 3.3Å; N633-N637 WeakPolarHBondContact O-CB 3.32Å; N633-N637 PolarHBondContact O-N 2.98Å; N633-N637 PolarHBondContact O-ND2 3.28Å; N633-N637 PolarHBondContact O-OD1 2.93Å; N634-N637 WeakPolarHBondContact O-CB 3.44Å; N634-N637 PolarHBondContact O-N 3.23Å; L635-N637 VanDerWaalsContact C-N 3.29Å; L635-N637 PolarHBondContact O-N 2.63Å; N637-L639 VanDerWaalsContact C-N 3.26Å; N637-L639 PolarHBondContact O-N 3.42Å; N637-H640 PolarHBondContact O-N 2.86Å; N637-W641 HydrophobicContact CB-CB 3.98Å; N637-W641 WeakPolarHBondContact O-CB 3.25Å; N637-W641 PolarHBondContact O-N 3.3Å; N637-F648 WeakPolarHBondContact OD1-CE1 3.3Å; N637-F648 WeakPolarHBondContact OD1-CZ 3.32Å
638	D	98.2	Very high	97.9	Very high	120 Å²	120	52 Å²	52	64%	0.642	25%	0.252	S	S	*	.	H	α-helix	trans	-60.9	-35.5	180	-73.7	-13	0	0	0	112.9	N634 L635 Y693	N634-D638 PolarHBondContact O-N 3.4Å; L635-D638 PolarHBondContact O-N 3.43Å; D638-Y693 PolarHBondContact O-OH 3.33Å
639	L	98.4	Very high	97.9	Very high	8 Å²	8	48.8 Å²	48.8	4%	0.042	24%	0.236	C	C	.	.	H	α-helix	trans	-84	-36.6	-178.1	-68.5	179.1	0	0	0	113.2	K554 R594 L635 L636 N637 Y693	K554-L639 HydrophobicContact CB-CD2 4.18Å; K554-L639 HydrophobicContact CD-CD2 3.95Å; R594-L639 PolarHBondContact NE-O 3.16Å; R594-L639 PolarHBondContact NH2-O 3.03Å; L635-L639 HydrophobicContact CD1-CD1 3.87Å; L635-L639 HydrophobicContact CD1-CG 4.04Å; L635-L639 HydrophobicContact CG-CD1 3.96Å; L635-L639 HydrophobicContact CG-CG 4.43Å; L635-L639 WeakPolarHBondContact O-CB 3.24Å; L635-L639 WeakPolarHBondContact O-CG 3.42Å; L635-L639 PolarHBondContact O-N 3.35Å; L636-L639 PolarHBondContact O-N 2.94Å; N637-L639 VanDerWaalsContact C-N 3.26Å; N637-L639 PolarHBondContact O-N 3.42Å; L639-Y693 PolarHBondContact O-OH 2.87Å
640	H	98.6	Very high	97.9	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-136.2	-13.2	-161.1	-68.7	-67.3	0	0	0	116.2	V596 L636 N637 F648 S649	V596-H640 HydrophobicContact CB-CB 4.21Å; V596-H640 HydrophobicContact CG2-CB 3.85Å; L636-H640 HydrophobicContact CD1-CB 4.41Å; L636-H640 WeakPolarHBondContact O-CB 3.44Å; L636-H640 PolarHBondContact O-N 3.28Å; N637-H640 PolarHBondContact O-N 2.86Å; H640-F648 HydrophobicContact CB-CD1 4.09Å; H640-F648 CarbonylContact O-C 3.58Å; H640-F648 WeakPolarHBondContact O-CA 3.26Å; H640-S649 PolarHBondContact ND1-O 3.28Å; H640-S649 PolarHBondContact O-N 3.16Å
641	W	98.4	Very high	97.9	Very high	11 Å²	11	49.2 Å²	49.2	4%	0.042	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	123	177.3	-178.7	-100.4	0	0	0	111.3	N637 E643 R646 F648 Y693 K716 H719	N637-W641 HydrophobicContact CB-CB 3.98Å; N637-W641 WeakPolarHBondContact O-CB 3.25Å; N637-W641 PolarHBondContact O-N 3.3Å; W641-E643 VanDerWaalsContact CD1-CD 3.45Å; W641-E643 PolarHBondContact NE1-OE1 2.8Å; W641-E643 PolarHBondContact NE1-OE2 3.34Å; W641-R646 HydrophobicContact CH2-CB 4.44Å; W641-R646 WeakPolarHBondContact CH2-O 3.48Å; W641-R646 HydrophobicContact CZ2-CB 4.2Å; W641-F648 HydrophobicContact CB-CD1 4.22Å; W641-F648 HydrophobicContact CB-CE1 4Å; W641-F648 HydrophobicContact CE3-CD1 4.03Å; W641-F648 AromaticContact CE3-CD2 3.94Å; W641-F648 HydrophobicContact CE3-CD2 3.94Å; W641-F648 AromaticContact CE3-CE1 3.92Å; W641-F648 HydrophobicContact CE3-CE1 3.92Å; W641-F648 AromaticContact CE3-CE2 3.84Å; W641-F648 HydrophobicContact CE3-CE2 3.84Å; W641-F648 HydrophobicContact CE3-CG 4.03Å; W641-F648 AromaticContact CE3-CZ 3.83Å; W641-F648 HydrophobicContact CE3-CZ 3.83Å; W641-F648 HydrophobicContact CZ3-CD2 4.1Å; W641-F648 HydrophobicContact CZ3-CE2 4.05Å; W641-F648 HydrophobicContact CZ3-CZ 4.45Å; W641-Y693 WeakPolarHBondContact O-CE2 3.39Å; W641-K716 HydrophobicContact CD2-CD 3.93Å; W641-K716 HydrophobicContact CD2-CG 4.24Å; W641-K716 HydrophobicContact CE3-CB 4.2Å; W641-K716 HydrophobicContact CE3-CD 4.09Å; W641-K716 HydrophobicContact CE3-CG 4.02Å; W641-K716 HydrophobicContact CH2-CB 4.08Å; W641-K716 HydrophobicContact CH2-CD 3.71Å; W641-K716 HydrophobicContact CH2-CG 4.2Å; W641-K716 HydrophobicContact CZ2-CD 3.52Å; W641-K716 HydrophobicContact CZ2-CG 4.42Å; W641-K716 HydrophobicContact CZ3-CB 3.77Å; W641-K716 HydrophobicContact CZ3-CD 3.99Å; W641-K716 HydrophobicContact CZ3-CG 4Å; W641-H719 HydrophobicContact CH2-CB 4.28Å; W641-H719 AromaticContact CH2-CD2 3.83Å; W641-H719 AromaticContact CZ2-CD2 3.94Å
642	S	98.1	Very high	98	Very high	3 Å²	3	45 Å²	45	2%	0.021	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	111.3	171.7	178.4	0	0	0	0	110.4	Q644 H645 R646 A647	S642-Q644 PolarHBondContact O-N 2.8Å; S642-H645 PolarHBondContact O-N 3.39Å; S642-H645 PolarHBondContact OG-CD2 3.09Å; S642-H645 PolarHBondContact OG-N 2.8Å; S642-R646 WeakPolarHBondContact O-CA 3.35Å; S642-R646 PolarHBondContact O-N 2.83Å; S642-A647 PolarHBondContact N-O 2.94Å
643	E	96.9	Very high	97.9	Very high	126 Å²	126	43.6 Å²	43.6	59%	0.589	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	-30.8	173.5	-68.2	-60.8	167.1	0	0	112.4	W641 K716	W641-E643 VanDerWaalsContact CD1-CD 3.45Å; W641-E643 PolarHBondContact NE1-OE1 2.8Å; W641-E643 PolarHBondContact NE1-OE2 3.34Å; E643-K716 IonicContact OE1-NZ 2.98Å; E643-K716 PolarHBondContact OE1-NZ 3.22Å; E643-K716 VanDerWaalsContact OE1-NZ 3.12Å; E643-K716 IonicContact OE2-NZ 3Å
644	Q	96	Very high	97.9	Very high	158 Å²	158	43.6 Å²	43.6	74%	0.738	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-41.3	176.5	-177.1	-176.3	-12.1	0	0	112	S642	S642-Q644 PolarHBondContact O-N 2.8Å
645	H	95	Very high	97.7	Very high	39 Å²	39	38.6 Å²	38.6	18%	0.181	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-12.9	-176.6	-54.9	-40.1	0	0	0	112.9	S642 A647	S642-H645 PolarHBondContact O-N 3.39Å; S642-H645 PolarHBondContact OG-CD2 3.09Å; S642-H645 PolarHBondContact OG-N 2.8Å; H645-A647 PolarHBondContact O-N 2.85Å
646	R	96.9	Very high	97.4	Very high	138 Å²	138	40.6 Å²	40.6	52%	0.521	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	51	42.3	-172	-60.7	-177.9	172.5	176.9	-6.5	112.3	W641 S642	W641-R646 HydrophobicContact CH2-CB 4.44Å; W641-R646 WeakPolarHBondContact CH2-O 3.48Å; W641-R646 HydrophobicContact CZ2-CB 4.2Å; S642-R646 WeakPolarHBondContact O-CA 3.35Å; S642-R646 PolarHBondContact O-N 2.83Å
647	A	97.7	Very high	97.1	Very high	9 Å²	9	44.2 Å²	44.2	7%	0.074	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	157.5	-178.2	0	0	0	0	0	110.6	S642 H645 L697	S642-A647 PolarHBondContact N-O 2.94Å; H645-A647 PolarHBondContact O-N 2.85Å; A647-L697 HydrophobicContact CB-CD1 4.11Å
648	F	98.8	Very high	96.7	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	131.9	163.3	-68.5	-74.8	0	0	0	109.7	V596 L636 N637 H640 W641 S701 P704 L710 K716 I720	V596-F648 HydrophobicContact CG2-CB 4.32Å; L636-F648 HydrophobicContact CD2-CE1 3.92Å; L636-F648 HydrophobicContact CD2-CZ 4.03Å; L636-F648 HydrophobicContact CG-CD1 4.25Å; L636-F648 HydrophobicContact CG-CE1 3.71Å; L636-F648 HydrophobicContact CG-CZ 4.32Å; N637-F648 WeakPolarHBondContact OD1-CE1 3.3Å; N637-F648 WeakPolarHBondContact OD1-CZ 3.32Å; H640-F648 HydrophobicContact CB-CD1 4.09Å; H640-F648 CarbonylContact O-C 3.58Å; H640-F648 WeakPolarHBondContact O-CA 3.26Å; W641-F648 HydrophobicContact CB-CD1 4.22Å; W641-F648 HydrophobicContact CB-CE1 4Å; W641-F648 HydrophobicContact CE3-CD1 4.03Å; W641-F648 AromaticContact CE3-CD2 3.94Å; W641-F648 HydrophobicContact CE3-CD2 3.94Å; W641-F648 AromaticContact CE3-CE1 3.92Å; W641-F648 HydrophobicContact CE3-CE1 3.92Å; W641-F648 AromaticContact CE3-CE2 3.84Å; W641-F648 HydrophobicContact CE3-CE2 3.84Å; W641-F648 HydrophobicContact CE3-CG 4.03Å; W641-F648 AromaticContact CE3-CZ 3.83Å; W641-F648 HydrophobicContact CE3-CZ 3.83Å; W641-F648 HydrophobicContact CZ3-CD2 4.1Å; W641-F648 HydrophobicContact CZ3-CE2 4.05Å; W641-F648 HydrophobicContact CZ3-CZ 4.45Å; F648-S701 VanDerWaalsContact O-CA 3.3Å; F648-S701 WeakPolarHBondContact O-CA 3.38Å; F648-S701 VanDerWaalsContact O-CB 3.23Å; F648-S701 WeakPolarHBondContact O-CB 3.45Å; F648-S701 PolarHBondContact O-OG 3.14Å; F648-P704 HydrophobicContact CB-CG 4.2Å; F648-P704 HydrophobicContact CD1-CG 4.24Å; F648-P704 HydrophobicContact CD2-CB 4.13Å; F648-P704 HydrophobicContact CD2-CG 3.76Å; F648-P704 HydrophobicContact CE2-CB 4.12Å; F648-P704 HydrophobicContact CE2-CG 4.17Å; F648-P704 HydrophobicContact CG-CG 3.8Å; F648-L710 HydrophobicContact CE2-CD1 4.2Å; F648-L710 HydrophobicContact CE2-CD2 3.8Å; F648-L710 HydrophobicContact CZ-CD2 3.79Å; F648-K716 HydrophobicContact CE2-CB 4.14Å; F648-K716 HydrophobicContact CZ-CB 4.31Å; F648-K716 HydrophobicContact CZ-CG 4.43Å; F648-I720 HydrophobicContact CD2-CD1 4.16Å; F648-I720 HydrophobicContact CE2-CD1 4.19Å
649	S	98.6	Very high	96.4	Very high	3 Å²	3	39.1 Å²	39.1	2%	0.021	19%	0.186	C	C	.	.			trans	-136.5	147.7	-171.8	-73.3	0	0	0	0	111.2	H640 V694	H640-S649 PolarHBondContact ND1-O 3.28Å; H640-S649 PolarHBondContact O-N 3.16Å; S649-V694 WeakPolarHBondContact CB-O 3.34Å; S649-V694 PolarHBondContact OG-O 3.47Å
650	D	98.8	Very high	95.9	Very high	6 Å²	6	40.5 Å²	40.5	3%	0.032	19%	0.193	C	C	.	.			trans	-61	155.9	158.3	-74.3	-6.1	0	0	0	110.1	R585 R594 H595 V596 Y693 V694	R585-D650 WeakPolarHBondContact CD-OD2 3.24Å; R585-D650 IonicContact CZ-OD2 3.25Å; R585-D650 IonicContact NE-OD2 3.87Å; R585-D650 IonicContact NH1-OD1 3.22Å; R585-D650 IonicContact NH1-OD2 2.68Å; R585-D650 PolarHBondContact NH1-OD2 3.35Å; R594-D650 VanDerWaalsContact O-CA 3.32Å; R594-D650 WeakPolarHBondContact O-CA 3.36Å; H595-D650 VanDerWaalsContact CA-OD1 3.29Å; H595-D650 WeakPolarHBondContact CA-OD1 3.46Å; H595-D650 IonicContact CD2-OD2 3.5Å; H595-D650 PolarHBondContact CD2-OD2 2.81Å; V596-D650 PolarHBondContact N-OD1 3.07Å; D650-Y693 CarbonylContact O-C 3.57Å; D650-Y693 WeakPolarHBondContact O-CA 3.41Å; D650-V694 HydrophobicContact CB-CB 4.31Å; D650-V694 HydrophobicContact CB-CG2 4.18Å; D650-V694 PolarHBondContact O-N 3.21Å
651	Y	98.7	Very high	95.4	Very high	53 Å²	53	44 Å²	44	21%	0.208	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	142.9	174.5	-172.5	-86.9	0	0	0	109.7	E593 R594 L691 Y693	E593-Y651 CarbonylContact C-O 3.55Å; E593-Y651 WeakPolarHBondContact CA-O 3.33Å; R594-Y651 VanDerWaalsContact CZ-CG 3.43Å; R594-Y651 PolarHBondContact N-O 2.83Å; R594-Y651 PolarHBondContact O-N 2.87Å; Y651-L691 HydrophobicContact CE1-CB 4.06Å; Y651-L691 HydrophobicContact CE1-CD2 4.35Å; Y651-Y693 AromaticContact CD2-CD1 3.78Å; Y651-Y693 HydrophobicContact CD2-CD1 3.78Å; Y651-Y693 HydrophobicContact CD2-CD2 4.47Å; Y651-Y693 AromaticContact CD2-CE1 3.81Å; Y651-Y693 HydrophobicContact CD2-CE1 3.81Å; Y651-Y693 HydrophobicContact CD2-CG 4.11Å; Y651-Y693 HydrophobicContact CG-CD1 4.48Å; Y651-Y693 HydrophobicContact CG-CE1 4.5Å
652	G	98	Very high	94.6	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.3	-171.8	174.2	0	0	0	0	0	114	H654 L691 Q692	G652-H654 PolarHBondContact O-N 3Å; G652-H654 VanDerWaalsContact O-N 3.16Å; G652-L691 WeakPolarHBondContact O-CA 3.21Å; G652-Q692 PolarHBondContact N-O 2.91Å; G652-Q692 PolarHBondContact O-N 3.3Å; G652-Q692 VanDerWaalsContact O-O 3.12Å
653	N	97.4	Very high	93.8	Very high	43 Å²	43	55.2 Å²	55.2	23%	0.23	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	98.5	-179.8	-167.9	20.8	0	0	0	110.8	S587 H588 P689 K690 L691	S587-N653 PolarHBondContact N-O 3.27Å; H588-N653 HydrophobicContact CB-CB 4.4Å; H588-N653 PolarHBondContact N-O 3.12Å; N653-P689 VanDerWaalsContact OD1-C 3.24Å; N653-P689 VanDerWaalsContact OD1-CB 3.28Å; N653-P689 WeakPolarHBondContact OD1-CB 3.22Å; N653-K690 WeakPolarHBondContact OD1-CA 3.49Å; N653-K690 PolarHBondContact OD1-N 3.32Å; N653-L691 HydrophobicContact CB-CD2 4.08Å
654	H	97.2	Very high	92.6	Very high	16 Å²	16	59.1 Å²	59.1	7%	0.074	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	149.5	-164.9	-177.5	75.6	0	0	0	113.1	A586 S587 G652 Q656 P689 K690 Q692 V694	A586-H654 HydrophobicContact CB-CB 4.39Å; S587-H654 PolarHBondContact N-ND1 2.98Å; G652-H654 PolarHBondContact O-N 3Å; G652-H654 VanDerWaalsContact O-N 3.16Å; H654-Q656 VanDerWaalsContact NE2-CG 3.35Å; H654-Q656 WeakPolarHBondContact NE2-CG 3.35Å; H654-P689 WeakPolarHBondContact O-CA 3.49Å; H654-K690 PolarHBondContact N-O 3.33Å; H654-K690 PolarHBondContact O-N 2.97Å; H654-K690 VanDerWaalsContact O-N 3.1Å; H654-Q692 HydrophobicContact CB-CG 4.22Å; H654-Q692 PolarHBondContact O-NE2 3.39Å; H654-V694 HydrophobicContact CB-CG2 4.22Å
655	T	95	Very high	91.3	Very high	5 Å²	5	54 Å²	54	3%	0.031	25%	0.249	C	C	.	.			trans	-147.9	135.4	165.2	-178.8	0	0	0	0	108	S587 N657 V658 V685 R687 P689	S587-T655 PolarHBondContact OG-N 3.33Å; S587-T655 PolarHBondContact OG-O 2.96Å; T655-N657 PolarHBondContact OG1-N 3.09Å; T655-V658 HydrophobicContact CG2-CG1 4.04Å; T655-V685 HydrophobicContact CG2-CG1 4.03Å; T655-R687 WeakPolarHBondContact CB-O 3.44Å; T655-R687 VanDerWaalsContact CG2-O 3.31Å; T655-R687 WeakPolarHBondContact CG2-O 3.32Å; T655-R687 PolarHBondContact OG1-O 3.39Å; T655-R687 VanDerWaalsContact OG1-O 3.11Å; T655-P689 HydrophobicContact CG2-CB 4.06Å
656	Q	91.4	Very high	90	Very high	79 Å²	79	60.7 Å²	60.7	37%	0.369	27%	0.274	S	S	.	.	S	Bend	trans	-78	-12.1	173.9	-67.2	-174	-54.6	0	0	112.1	H654 V658 N695	H654-Q656 VanDerWaalsContact NE2-CG 3.35Å; H654-Q656 WeakPolarHBondContact NE2-CG 3.35Å; Q656-V658 PolarHBondContact O-N 2.72Å; Q656-N695 PolarHBondContact NE2-ND2 3.41Å; Q656-N695 PolarHBondContact NE2-O 2.96Å
657	N	92.2	Very high	88.6	Confident	76 Å²	76	56.7 Å²	56.7	41%	0.406	27%	0.265	S	S	.	.			trans	-85.6	56.1	-173.8	-64.4	11.7	0	0	0	111.5	T655 R686 R687	T655-N657 PolarHBondContact OG1-N 3.09Å; N657-R686 HydrophobicContact CB-CB 4.2Å; N657-R686 PolarHBondContact O-N 2.7Å; N657-R687 HydrophobicContact CB-CB 3.85Å
658	V	90.9	Very high	87.2	Confident	21 Å²	21	58.2 Å²	58.2	13%	0.127	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	145.5	174.3	-63.9	0	0	0	0	109.7	L571 T655 Q656 S684 V685	L571-V658 HydrophobicContact CD1-CB 4.15Å; L571-V658 HydrophobicContact CD1-CG2 3.79Å; T655-V658 HydrophobicContact CG2-CG1 4.04Å; Q656-V658 PolarHBondContact O-N 2.72Å; V658-S684 WeakPolarHBondContact CA-O 3.38Å; V658-V685 HydrophobicContact CG1-CG2 4.31Å
659	S	90.7	Very high	85.7	Confident	28 Å²	28	64.1 Å²	64.1	20%	0.196	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	150.3	177.4	58.8	0	0	0	0	110	Q661 S684	S659-Q661 PolarHBondContact OG-NE2 3.4Å; S659-Q661 VanDerWaalsContact OG-NE2 3.12Å; S659-S684 PolarHBondContact N-O 2.94Å; S659-S684 PolarHBondContact O-N 3.49Å
660	L	88.9	Confident	84.4	Confident	36 Å²	36	68.1 Å²	68.1	19%	0.188	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	131.3	167.2	-64.3	169.7	0	0	0	109.3	L571 L681 R683 R749	L571-L660 HydrophobicContact CB-CD1 4.02Å; L571-L660 HydrophobicContact CB-CD2 4.08Å; L571-L660 HydrophobicContact CB-CG 3.92Å; L571-L660 HydrophobicContact CD1-CG 4.22Å; L571-L660 HydrophobicContact CD2-CD1 4.41Å; L571-L660 HydrophobicContact CD2-CG 4.49Å; L571-L660 HydrophobicContact CG-CG 4.44Å; L660-L681 HydrophobicContact CB-CD2 3.47Å; L660-L681 VanDerWaalsContact CB-CD2 3.47Å; L660-L681 HydrophobicContact CB-CG 4.01Å; L660-L681 HydrophobicContact CD1-CD2 3.69Å; L660-L681 HydrophobicContact CG-CD2 4.07Å; L660-R683 HydrophobicContact CD2-CB 4.46Å; L660-R749 HydrophobicContact CD1-CG 4.16Å
661	Q	87.1	Confident	82.7	Confident	75 Å²	75	72.7 Å²	72.7	35%	0.35	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	145.1	178.6	-65.1	-179.3	16.6	0	0	109.8	S659 E663 L681 V682 S684	S659-Q661 PolarHBondContact OG-NE2 3.4Å; S659-Q661 VanDerWaalsContact OG-NE2 3.12Å; Q661-E663 PolarHBondContact O-N 3.28Å; Q661-L681 WeakPolarHBondContact O-CA 3.25Å; Q661-V682 PolarHBondContact N-O 3.01Å; Q661-V682 PolarHBondContact O-N 3.33Å; Q661-S684 VanDerWaalsContact CD-CB 3.49Å; Q661-S684 VanDerWaalsContact NE2-CB 3.33Å; Q661-S684 PolarHBondContact NE2-OG 3.46Å
662	R	83.3	Confident	81	Confident	152 Å²	152	73.1 Å²	73.1	57%	0.574	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.3	126.5	170.6	-76.2	-174.4	-179.7	-83.7	-0.3	109.1	K664 R680 L681	R662-K664 PolarHBondContact O-N 3.2Å; R662-R680 WeakPolarHBondContact CA-O 3.45Å; R662-L681 HydrophobicContact CG-CD1 3.77Å
663	E	80.9	Confident	79.1	Confident	96 Å²	96	83 Å²	83	45%	0.449	42%	0.422	S	S	.	.			trans	-55.9	135.1	174.8	-174	174.1	-154.3	0	0	110.5	Q661 V665 A679 R680 V682	Q661-E663 PolarHBondContact O-N 3.28Å; E663-V665 PolarHBondContact O-N 3.18Å; E663-A679 WeakPolarHBondContact O-CB 3.26Å; E663-R680 PolarHBondContact N-O 2.9Å; E663-V682 HydrophobicContact CB-CG2 4.3Å
664	K	70.9	Confident	77.5	Confident	209 Å²	209	89.4 Å²	89.4	91%	0.909	45%	0.45	S	S	*	.			trans	-81.9	98.8	176.2	-69	-175.8	-179.8	-179.8	0	109	R662 Y666	R662-K664 PolarHBondContact O-N 3.2Å; K664-Y666 PolarHBondContact O-N 2.86Å
665	V	69.5	Low	75.7	Confident	49 Å²	49	95.4 Å²	95.4	30%	0.297	48%	0.478	S	S	.	.			trans	-80.6	114.5	172.6	-176.1	0	0	0	0	108.9	E663 V667 F676 A679	E663-V665 PolarHBondContact O-N 3.18Å; V665-V667 PolarHBondContact O-N 3.43Å; V665-F676 HydrophobicContact CG1-CB 4.08Å; V665-F676 HydrophobicContact CG1-CD1 4.49Å; V665-A679 HydrophobicContact CG2-CB 3.96Å
666	Y	68.1	Low	74.1	Confident	180 Å²	180	97.6 Å²	97.6	71%	0.706	49%	0.487	S	S	*	.			trans	-72.2	121	173.3	178.8	-102.7	0	0	0	109.7	K664 P668	K664-Y666 PolarHBondContact O-N 2.86Å; Y666-P668 HydrophobicContact CD1-CG 4.17Å; Y666-P668 HydrophobicContact CE1-CB 4.24Å; Y666-P668 HydrophobicContact CE1-CG 3.81Å
667	V	65.4	Low	72.7	Confident	54 Å²	54	98.5 Å²	98.5	33%	0.327	50%	0.5	S	S	.	.			trans	-110	110.6	174.3	-179.8	0	0	0	0	107.8	V665 F676	V665-V667 PolarHBondContact O-N 3.43Å; V667-F676 HydrophobicContact CB-CE2 4.49Å; V667-F676 HydrophobicContact CG1-CD2 4.11Å; V667-F676 HydrophobicContact CG1-CE2 3.72Å; V667-F676 HydrophobicContact CG1-CZ 4.22Å; V667-F676 HydrophobicContact CG2-CD2 4.08Å; V667-F676 HydrophobicContact CG2-CE2 4.42Å; V667-F676 HydrophobicContact CG2-CG 4.22Å
668	P	68.9	Low	71.5	Confident	41 Å²	41	100.9 Å²	100.9	27%	0.266	52%	0.517	S	S	.	.			trans	-57.9	146.3	174.7	-20.4	29.9	0	0	0	111.8	Y666 G670	Y666-P668 HydrophobicContact CD1-CG 4.17Å; Y666-P668 HydrophobicContact CE1-CB 4.24Å; Y666-P668 HydrophobicContact CE1-CG 3.81Å; P668-G670 PolarHBondContact O-N 3.33Å
669	P	67.7	Low	70.4	Confident	125 Å²	125	101.3 Å²	101.3	81%	0.812	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	129	176	-20.7	31.1	0	0	0	111.7
670	G	70.7	Confident	69.7	Low	86 Å²	86	107 Å²	107	89%	0.887	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.4	0.1	173.4	0	0	0	0	0	117	P668	P668-G670 PolarHBondContact O-N 3.33Å
671	Q	63.4	Low	69.4	Low	102 Å²	102	106.8 Å²	106.8	48%	0.477	54%	0.539	S	S	.	.	S	Bend	trans	-105.7	144.2	177.9	-70.5	-171.8	-1.2	0	0	113.8	R673 F676	Q671-R673 PolarHBondContact O-N 3.41Å; Q671-F676 HydrophobicContact CB-CE2 4.01Å; Q671-F676 HydrophobicContact CB-CZ 4.16Å
672	P	63.8	Low	69.2	Low	63 Å²	63	105.6 Å²	105.6	41%	0.409	54%	0.536	S	S	.	.			trans	-68.8	129.3	-179	7.8	-3.3	0	0	0	112.7	H674 Q675	P672-H674 PolarHBondContact O-N 2.98Å; P672-Q675 PolarHBondContact O-N 2.94Å; P672-Q675 VanDerWaalsContact O-N 3.12Å
673	R	58.4	Low	69.5	Low	208 Å²	208	99.2 Å²	99.2	79%	0.785	51%	0.513	S	S	*	.	G	3₁₀ helix	trans	-52.6	-26.3	-179.1	-85	-177.4	172.8	170.2	-1.3	115.4	Q671 Q675 F676	Q671-R673 PolarHBondContact O-N 3.41Å; R673-Q675 PolarHBondContact O-N 2.95Å; R673-F676 PolarHBondContact O-N 3.47Å
674	H	62	Low	69.9	Low	177 Å²	177	96.3 Å²	96.3	82%	0.819	50%	0.503	S	S	*	.	G	3₁₀ helix	trans	-68.8	-13.6	-178.3	-31.4	75.6	0	0	0	113.8	P672	P672-H674 PolarHBondContact O-N 2.98Å
675	Q	60.4	Low	70.9	Confident	142 Å²	142	89.4 Å²	89.4	66%	0.664	48%	0.478	S	S	*	.	G	3₁₀ helix	trans	-91.8	-2.7	180	-68.8	-179.4	-11.9	0	0	113.6	P672 R673	P672-Q675 PolarHBondContact O-N 2.94Å; P672-Q675 VanDerWaalsContact O-N 3.12Å; R673-Q675 PolarHBondContact O-N 2.95Å
676	F	61.7	Low	71.9	Confident	50 Å²	50	96 Å²	96	22%	0.219	50%	0.497	C	S	.	.	S	Bend	trans	-106.5	147.6	-178	-64.2	-83.4	0	0	0	111.8	V665 V667 Q671 R673	V665-F676 HydrophobicContact CG1-CB 4.08Å; V665-F676 HydrophobicContact CG1-CD1 4.49Å; V667-F676 HydrophobicContact CB-CE2 4.49Å; V667-F676 HydrophobicContact CG1-CD2 4.11Å; V667-F676 HydrophobicContact CG1-CE2 3.72Å; V667-F676 HydrophobicContact CG1-CZ 4.22Å; V667-F676 HydrophobicContact CG2-CD2 4.08Å; V667-F676 HydrophobicContact CG2-CE2 4.42Å; V667-F676 HydrophobicContact CG2-CG 4.22Å; Q671-F676 HydrophobicContact CB-CE2 4.01Å; Q671-F676 HydrophobicContact CB-CZ 4.16Å; R673-F676 PolarHBondContact O-N 3.47Å
677	P	62.1	Low	73.1	Confident	99 Å²	99	94.8 Å²	94.8	64%	0.643	49%	0.492	S	S	*	.			trans	-59.7	140.9	177.2	23.9	-32.5	0	0	0	111	A679	P677-A679 PolarHBondContact O-N 3.49Å
678	V	66.1	Low	74.4	Confident	126 Å²	126	96.1 Å²	96.1	76%	0.764	51%	0.508	S	S	*	.			trans	-59.5	127.2	175.7	-177.3	0	0	0	0	108.8	R680	V678-R680 PolarHBondContact O-N 3.03Å; V678-R680 VanDerWaalsContact O-N 3.08Å
679	A	68.8	Low	75.7	Confident	29 Å²	29	96 Å²	96	24%	0.24	51%	0.507	C	S	.	.			trans	-58.8	112.6	-179.6	0	0	0	0	0	111.1	E663 V665 P677	E663-A679 WeakPolarHBondContact O-CB 3.26Å; V665-A679 HydrophobicContact CG2-CB 3.96Å; P677-A679 PolarHBondContact O-N 3.49Å
680	R	76.5	Confident	77.1	Confident	149 Å²	149	95.6 Å²	95.6	56%	0.562	49%	0.493	S	S	*	.			trans	-79.4	152	-177.4	-63.2	174.3	66.8	-174.4	-0.2	111.1	R662 E663 V678 V682	R662-R680 WeakPolarHBondContact CA-O 3.45Å; E663-R680 PolarHBondContact N-O 2.9Å; V678-R680 PolarHBondContact O-N 3.03Å; V678-R680 VanDerWaalsContact O-N 3.08Å; R680-V682 HydrophobicContact CB-CG1 4.4Å
681	L	81.1	Confident	78.4	Confident	31 Å²	31	95.3 Å²	95.3	16%	0.162	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	119.1	163.6	-122.3	83.3	0	0	0	108.5	L660 Q661 R662	L660-L681 HydrophobicContact CB-CD2 3.47Å; L660-L681 VanDerWaalsContact CB-CD2 3.47Å; L660-L681 HydrophobicContact CB-CG 4.01Å; L660-L681 HydrophobicContact CD1-CD2 3.69Å; L660-L681 HydrophobicContact CG-CD2 4.07Å; Q661-L681 WeakPolarHBondContact O-CA 3.25Å; R662-L681 HydrophobicContact CG-CD1 3.77Å
682	V	84.1	Confident	80.1	Confident	49 Å²	49	92.8 Å²	92.8	30%	0.297	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	147.7	177.6	-64.8	0	0	0	0	110.5	Q661 E663 R680	Q661-V682 PolarHBondContact N-O 3.01Å; Q661-V682 PolarHBondContact O-N 3.33Å; E663-V682 HydrophobicContact CB-CG2 4.3Å; R680-V682 HydrophobicContact CB-CG1 4.4Å
683	R	89.1	Confident	81.7	Confident	19 Å²	19	92 Å²	92	7%	0.072	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	134.1	176.2	-173.1	-163.2	177.7	174.5	-16.2	110.8	T567 N568 Y570 S587 H588 L660	T567-R683 VanDerWaalsContact CB-NH1 3.34Å; T567-R683 WeakPolarHBondContact O-CD 3.36Å; T567-R683 PolarHBondContact O-NH1 2.75Å; N568-R683 PolarHBondContact O-N 3.49Å; Y570-R683 VanDerWaalsContact O-CD 3.32Å; Y570-R683 WeakPolarHBondContact O-CD 3.41Å; S587-R683 PolarHBondContact O-NH1 2.91Å; S587-R683 PolarHBondContact O-NH2 3.43Å; H588-R683 PolarHBondContact CE1-NH2 2.87Å; H588-R683 PolarHBondContact NE2-NH2 3.07Å; L660-R683 HydrophobicContact CD2-CB 4.46Å
684	S	90	Very high	83.6	Confident	35 Å²	35	82.3 Å²	82.3	25%	0.245	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	131.7	170.6	177.5	0	0	0	0	110.3	V658 S659 Q661	V658-S684 WeakPolarHBondContact CA-O 3.38Å; S659-S684 PolarHBondContact N-O 2.94Å; S659-S684 PolarHBondContact O-N 3.49Å; Q661-S684 VanDerWaalsContact CD-CB 3.49Å; Q661-S684 VanDerWaalsContact NE2-CB 3.33Å; Q661-S684 PolarHBondContact NE2-OG 3.46Å
685	V	92	Very high	85.2	Confident	63 Å²	63	76.6 Å²	76.6	38%	0.382	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	113.6	178.3	-176.2	0	0	0	0	108.9	T655 V658 R687	T655-V685 HydrophobicContact CG2-CG1 4.03Å; V658-V685 HydrophobicContact CG1-CG2 4.31Å; V685-R687 WeakPolarHBondContact CG1-O 3.18Å
686	R	90.3	Very high	86.9	Confident	187 Å²	187	70.1 Å²	70.1	71%	0.706	36%	0.358	S	S	*	.	S	Bend	trans	-92.3	-19.1	-175.2	-58.5	-178.1	-179.5	-171.6	-1.5	114	N657	N657-R686 HydrophobicContact CB-CB 4.2Å; N657-R686 PolarHBondContact O-N 2.7Å
687	R	92.6	Very high	88.6	Confident	156 Å²	156	68.8 Å²	68.8	59%	0.589	35%	0.353	S	S	*	.	S	Bend	trans	-137.3	132.8	176.2	-174.6	-178.4	-176.8	173.3	4.8	109	T655 N657 V685	T655-R687 WeakPolarHBondContact CB-O 3.44Å; T655-R687 VanDerWaalsContact CG2-O 3.31Å; T655-R687 WeakPolarHBondContact CG2-O 3.32Å; T655-R687 PolarHBondContact OG1-O 3.39Å; T655-R687 VanDerWaalsContact OG1-O 3.11Å; N657-R687 HydrophobicContact CB-CB 3.85Å; V685-R687 WeakPolarHBondContact CG1-O 3.18Å
688	A	93.3	Very high	90.4	Very high	82 Å²	82	64 Å²	64	68%	0.678	32%	0.322	S	S	*	.			trans	-54.5	137.9	176.5	0	0	0	0	0	111.1
689	P	95.8	Very high	91.9	Very high	38 Å²	38	58 Å²	58	25%	0.247	29%	0.286	C	S	.	.			trans	-72.3	157.5	176.7	37	-40.8	0	0	0	111.6	H588 N653 H654 T655	H588-P689 HydrophobicContact CB-CG 4.37Å; H588-P689 WeakPolarHBondContact ND1-CB 3.47Å; H588-P689 VanDerWaalsContact ND1-CG 3.31Å; H588-P689 WeakPolarHBondContact ND1-CG 3.28Å; N653-P689 VanDerWaalsContact OD1-C 3.24Å; N653-P689 VanDerWaalsContact OD1-CB 3.28Å; N653-P689 WeakPolarHBondContact OD1-CB 3.22Å; H654-P689 WeakPolarHBondContact O-CA 3.49Å; T655-P689 HydrophobicContact CG2-CB 4.06Å
690	K	97.4	Very high	93.4	Very high	116 Å²	116	56.8 Å²	56.8	50%	0.504	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	157.8	171.4	62.6	175.8	-175.9	169.1	0	110	N653 H654 Q692	N653-K690 WeakPolarHBondContact OD1-CA 3.49Å; N653-K690 PolarHBondContact OD1-N 3.32Å; H654-K690 PolarHBondContact N-O 3.33Å; H654-K690 PolarHBondContact O-N 2.97Å; H654-K690 VanDerWaalsContact O-N 3.1Å; K690-Q692 HydrophobicContact CG-CG 4.32Å; K690-Q692 PolarHBondContact O-N 2.78Å
691	L	98.3	Very high	94.4	Very high	81 Å²	81	49.9 Å²	49.9	42%	0.424	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	118.4	170	-66.7	177	0	0	0	109.6	D592 Y651 G652 N653	D592-L691 HydrophobicContact CB-CD2 3.78Å; Y651-L691 HydrophobicContact CE1-CB 4.06Å; Y651-L691 HydrophobicContact CE1-CD2 4.35Å; G652-L691 WeakPolarHBondContact O-CA 3.21Å; N653-L691 HydrophobicContact CB-CD2 4.08Å
692	Q	98.1	Very high	95.3	Very high	48 Å²	48	48.5 Å²	48.5	22%	0.224	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	170.6	179.2	60.8	-169.4	-34.2	0	0	110.6	G652 H654 K690	G652-Q692 PolarHBondContact N-O 2.91Å; G652-Q692 PolarHBondContact O-N 3.3Å; G652-Q692 VanDerWaalsContact O-O 3.12Å; H654-Q692 HydrophobicContact CB-CG 4.22Å; H654-Q692 PolarHBondContact O-NE2 3.39Å; K690-Q692 HydrophobicContact CG-CG 4.32Å; K690-Q692 PolarHBondContact O-N 2.78Å
693	Y	98.5	Very high	96	Very high	48 Å²	48	46.2 Å²	46.2	19%	0.188	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	139	165.6	-71.5	-64.8	0	0	0	110.6	D638 L639 W641 D650 Y651	D638-Y693 PolarHBondContact O-OH 3.33Å; L639-Y693 PolarHBondContact O-OH 2.87Å; W641-Y693 WeakPolarHBondContact O-CE2 3.39Å; D650-Y693 CarbonylContact O-C 3.57Å; D650-Y693 WeakPolarHBondContact O-CA 3.41Å; Y651-Y693 AromaticContact CD2-CD1 3.78Å; Y651-Y693 HydrophobicContact CD2-CD1 3.78Å; Y651-Y693 HydrophobicContact CD2-CD2 4.47Å; Y651-Y693 AromaticContact CD2-CE1 3.81Å; Y651-Y693 HydrophobicContact CD2-CE1 3.81Å; Y651-Y693 HydrophobicContact CD2-CG 4.11Å; Y651-Y693 HydrophobicContact CG-CD1 4.48Å; Y651-Y693 HydrophobicContact CG-CE1 4.5Å
694	V	97.9	Very high	96.4	Very high	3 Å²	3	45.3 Å²	45.3	2%	0.018	23%	0.225	C	C	.	.			trans	-80.8	121.2	177.7	-177.4	0	0	0	0	108.3	A586 S649 D650 H654 A696	A586-V694 HydrophobicContact CB-CG2 4Å; S649-V694 WeakPolarHBondContact CB-O 3.34Å; S649-V694 PolarHBondContact OG-O 3.47Å; D650-V694 HydrophobicContact CB-CB 4.31Å; D650-V694 HydrophobicContact CB-CG2 4.18Å; D650-V694 PolarHBondContact O-N 3.21Å; H654-V694 HydrophobicContact CB-CG2 4.22Å; V694-A696 VanDerWaalsContact C-N 3.34Å; V694-A696 HydrophobicContact CG1-CB 3.95Å; V694-A696 PolarHBondContact O-N 3.27Å; V694-A696 VanDerWaalsContact O-N 3.1Å
695	N	94.5	Very high	96.9	Very high	57 Å²	57	43.7 Å²	43.7	31%	0.305	21%	0.214	S	C	.	.			trans	-84.2	81.1	175.5	-175.8	20	0	0	0	109.5	Q656	Q656-N695 PolarHBondContact NE2-ND2 3.41Å; Q656-N695 PolarHBondContact NE2-O 2.96Å
696	A	96.8	Very high	97.2	Very high	6 Å²	6	40.7 Å²	40.7	5%	0.05	20%	0.196	C	C	.	.			trans	-138.2	77.9	178.1	0	0	0	0	0	109.7	Y583 P584 V694 G698 S701 L739 D743	Y583-A696 HydrophobicContact CE1-CB 4.16Å; Y583-A696 PolarHBondContact OH-O 3.35Å; P584-A696 HydrophobicContact CB-CB 3.89Å; P584-A696 WeakPolarHBondContact O-CB 3.23Å; V694-A696 VanDerWaalsContact C-N 3.34Å; V694-A696 HydrophobicContact CG1-CB 3.95Å; V694-A696 PolarHBondContact O-N 3.27Å; V694-A696 VanDerWaalsContact O-N 3.1Å; A696-G698 PolarHBondContact O-N 3.08Å; A696-S701 PolarHBondContact O-OG 3.38Å; A696-L739 HydrophobicContact CB-CD1 4.48Å; A696-D743 WeakPolarHBondContact CA-OD2 3.12Å
697	L	98.4	Very high	97.6	Very high	22 Å²	22	32.2 Å²	32.2	12%	0.115	16%	0.164	C	C	.	.			trans	-71.6	120.5	179.9	178.2	67	0	0	0	110.1	A647 D723 K729 S740	A647-L697 HydrophobicContact CB-CD1 4.11Å; L697-D723 HydrophobicContact CD2-CB 4.34Å; L697-K729 HydrophobicContact CD2-CB 4.47Å; L697-K729 HydrophobicContact CD2-CD 3.79Å; L697-K729 HydrophobicContact CD2-CG 4.4Å; L697-S740 WeakPolarHBondContact O-CB 3.29Å; L697-S740 PolarHBondContact O-N 2.72Å
698	G	98.4	Very high	97.9	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.149	C	C	.	.	B	Isolated β-bridge	trans	179.2	-157.3	-176.7	0	0	0	0	0	111.3	Y583 A696 V700 S701 L702 S738	Y583-G698 WeakPolarHBondContact OH-CA 3.17Å; Y583-G698 PolarHBondContact OH-N 3Å; Y583-G698 VanDerWaalsContact OH-N 3.09Å; A696-G698 PolarHBondContact O-N 3.08Å; G698-V700 VanDerWaalsContact C-N 3.28Å; G698-V700 PolarHBondContact O-N 3.26Å; G698-S701 WeakPolarHBondContact O-CB 3.47Å; G698-S701 PolarHBondContact O-N 2.79Å; G698-L702 PolarHBondContact O-N 3.38Å; G698-S738 CarbonylContact C-O 3.54Å; G698-S738 VanDerWaalsContact CA-O 3.29Å; G698-S738 WeakPolarHBondContact CA-O 3.46Å
699	Y	98.8	Very high	98.1	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-51.7	-42.7	-179.5	-70.9	-14	0	0	0	113.7	L580 S701 L702 F703 L736 R737 S738 W758 W763 I766 N767	L580-Y699 HydrophobicContact CD2-CD2 4.32Å; Y699-S701 VanDerWaalsContact C-N 3.28Å; Y699-S701 PolarHBondContact O-N 3.34Å; Y699-L702 WeakPolarHBondContact O-CB 3.46Å; Y699-L702 PolarHBondContact O-N 3.05Å; Y699-F703 WeakPolarHBondContact O-CD2 3.34Å; Y699-L736 HydrophobicContact CE1-CB 4.13Å; Y699-L736 PolarHBondContact OH-O 3.33Å; Y699-R737 WeakPolarHBondContact CD1-O 3.34Å; Y699-R737 VanDerWaalsContact CE1-C 3.43Å; Y699-R737 WeakPolarHBondContact CE1-O 3.29Å; Y699-S738 VanDerWaalsContact CE2-CA 3.42Å; Y699-S738 VanDerWaalsContact CE2-CB 3.45Å; Y699-S738 PolarHBondContact N-O 3.26Å; Y699-W758 AromaticContact CD2-CE3 3.86Å; Y699-W758 HydrophobicContact CD2-CE3 3.86Å; Y699-W758 AromaticContact CD2-CZ3 3.79Å; Y699-W758 HydrophobicContact CD2-CZ3 3.79Å; Y699-W758 HydrophobicContact CE2-CE3 4.01Å; Y699-W758 AromaticContact CE2-CZ3 3.76Å; Y699-W758 HydrophobicContact CE2-CZ3 3.76Å; Y699-W763 HydrophobicContact CE2-CB 3.99Å; Y699-W763 AromaticContact CE2-CD1 3.95Å; Y699-W763 HydrophobicContact CE2-CG 4.27Å; Y699-W763 PolarHBondContact OH-N 3.5Å; Y699-I766 HydrophobicContact CD1-CB 4.32Å; Y699-I766 HydrophobicContact CD1-CG2 3.6Å; Y699-I766 HydrophobicContact CD2-CB 3.79Å; Y699-I766 HydrophobicContact CD2-CG1 3.65Å; Y699-I766 HydrophobicContact CD2-CG2 3.8Å; Y699-I766 HydrophobicContact CE1-CB 4.34Å; Y699-I766 HydrophobicContact CE1-CG2 3.97Å; Y699-I766 HydrophobicContact CE2-CB 3.8Å; Y699-I766 HydrophobicContact CE2-CG1 3.94Å; Y699-I766 HydrophobicContact CE2-CG2 4.14Å; Y699-I766 HydrophobicContact CG-CB 4.07Å; Y699-I766 HydrophobicContact CG-CG1 4.2Å; Y699-I766 HydrophobicContact CG-CG2 3.52Å; Y699-N767 PolarHBondContact OH-ND2 3.16Å; Y699-N767 VanDerWaalsContact OH-ND2 3.09Å
700	V	98.8	Very high	98.2	Very high	2 Å²	2	22.4 Å²	22.4	1%	0.012	11%	0.108	C	C	.	.	H	α-helix	trans	-58.7	-40.8	179	174	0	0	0	0	111.4	L580 Y583 V596 D597 G698 L702 F703	L580-V700 HydrophobicContact CD2-CG2 4.25Å; Y583-V700 HydrophobicContact CD1-CB 4.12Å; Y583-V700 HydrophobicContact CD1-CG2 3.47Å; Y583-V700 VanDerWaalsContact CD1-CG2 3.47Å; Y583-V700 HydrophobicContact CD2-CG2 4.11Å; Y583-V700 HydrophobicContact CE1-CB 3.49Å; Y583-V700 VanDerWaalsContact CE1-CB 3.49Å; Y583-V700 HydrophobicContact CE1-CG1 4.37Å; Y583-V700 HydrophobicContact CE1-CG2 3.39Å; Y583-V700 HydrophobicContact CE2-CB 4.25Å; Y583-V700 HydrophobicContact CE2-CG2 3.98Å; Y583-V700 HydrophobicContact CG-CG2 3.85Å; V596-V700 HydrophobicContact CG1-CG1 3.48Å; V596-V700 VanDerWaalsContact CG1-CG1 3.48Å; V596-V700 WeakPolarHBondContact CG1-O 3.34Å; D597-V700 HydrophobicContact CB-CG1 4.34Å; G698-V700 VanDerWaalsContact C-N 3.28Å; G698-V700 PolarHBondContact O-N 3.26Å; V700-L702 PolarHBondContact O-N 2.98Å; V700-F703 PolarHBondContact O-N 3.22Å
701	S	98.7	Very high	98.2	Very high	4 Å²	4	20.9 Å²	20.9	3%	0.028	10%	0.103	C	C	.	.	H	α-helix	trans	-65.5	-19.9	177.2	-59	0	0	0	0	114.1	F648 A696 G698 Y699	F648-S701 VanDerWaalsContact O-CA 3.3Å; F648-S701 WeakPolarHBondContact O-CA 3.38Å; F648-S701 VanDerWaalsContact O-CB 3.23Å; F648-S701 WeakPolarHBondContact O-CB 3.45Å; F648-S701 PolarHBondContact O-OG 3.14Å; A696-S701 PolarHBondContact O-OG 3.38Å; G698-S701 WeakPolarHBondContact O-CB 3.47Å; G698-S701 PolarHBondContact O-N 2.79Å; Y699-S701 VanDerWaalsContact C-N 3.28Å; Y699-S701 PolarHBondContact O-N 3.34Å
702	L	98.8	Very high	98.2	Very high	3 Å²	3	18.3 Å²	18.3	2%	0.016	9%	0.091	C	C	.	.	H	α-helix	trans	-89.4	-11.1	-179.1	-57	-178.7	0	0	0	112.9	G698 Y699 V700 F705 L706 I720 M724 L730 L736	G698-L702 PolarHBondContact O-N 3.38Å; Y699-L702 WeakPolarHBondContact O-CB 3.46Å; Y699-L702 PolarHBondContact O-N 3.05Å; V700-L702 PolarHBondContact O-N 2.98Å; L702-F705 CarbonylContact O-C 3.57Å; L702-F705 WeakPolarHBondContact O-CA 3.47Å; L702-F705 VanDerWaalsContact O-CB 3.29Å; L702-F705 WeakPolarHBondContact O-CB 3.42Å; L702-F705 PolarHBondContact O-N 3.2Å; L702-L706 HydrophobicContact CB-CD1 3.86Å; L702-L706 HydrophobicContact CB-CD2 4.25Å; L702-L706 HydrophobicContact CB-CG 3.77Å; L702-L706 WeakPolarHBondContact O-CG 3.32Å; L702-L706 PolarHBondContact O-N 3.24Å; L702-I720 HydrophobicContact CD2-CG2 3.77Å; L702-M724 HydrophobicContact CD1-CG 4.17Å; L702-M724 HydrophobicContact CD1-SD 4.48Å; L702-M724 HydrophobicContact CD2-CG 3.82Å; L702-M724 HydrophobicContact CD2-SD 4.15Å; L702-L730 HydrophobicContact CD1-CD1 4.14Å; L702-L730 HydrophobicContact CD2-CD1 4.3Å; L702-L730 HydrophobicContact CG-CD1 4.45Å; L702-L736 HydrophobicContact CD1-CD1 4.34Å
703	F	98.9	Very high	98.2	Very high	1 Å²	1	21.1 Å²	21.1	0%	0.004	11%	0.108	C	C	.	.	H	α-helix	trans	-53	-42	-170.9	-93.1	-99.9	0	0	0	115.9	D597 C600 W601 Y699 V700 F705 L706 L707 I766	D597-F703 HydrophobicContact CB-CB 4.41Å; D597-F703 HydrophobicContact CB-CD1 3.81Å; D597-F703 HydrophobicContact CB-CD2 3.7Å; D597-F703 HydrophobicContact CB-CE1 3.94Å; D597-F703 HydrophobicContact CB-CE2 3.8Å; D597-F703 HydrophobicContact CB-CG 3.69Å; D597-F703 HydrophobicContact CB-CZ 3.92Å; C600-F703 HydrophobicContact CB-CB 3.96Å; C600-F703 HydrophobicContact CB-CD1 4.3Å; W601-F703 AromaticContact CE2-CE1 3.68Å; W601-F703 AromaticContact CZ2-CE1 3.84Å; W601-F703 HydrophobicContact CZ2-CE1 3.84Å; W601-F703 AromaticContact NE1-CE1 3.35Å; Y699-F703 WeakPolarHBondContact O-CD2 3.34Å; V700-F703 PolarHBondContact O-N 3.22Å; F703-F705 PolarHBondContact O-N 3.38Å; F703-L706 HydrophobicContact CD2-CD1 4.07Å; F703-L706 HydrophobicContact CE2-CD1 4.29Å; F703-L706 HydrophobicContact CG-CD1 4.39Å; F703-L706 PolarHBondContact O-N 2.88Å; F703-L707 HydrophobicContact CD1-CD1 4.2Å; F703-L707 HydrophobicContact CD1-CG 4.39Å; F703-L707 PolarHBondContact O-N 2.69Å; F703-I766 HydrophobicContact CZ-CD1 4.38Å
704	P	98.8	Very high	98.1	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-56.2	-36.4	173.5	-30.8	39.1	0	0	0	113.8	V596 L636 F648 I709 L710	V596-P704 HydrophobicContact CG2-CG 4.04Å; L636-P704 HydrophobicContact CD1-CG 4.4Å; L636-P704 HydrophobicContact CD2-CB 3.79Å; L636-P704 HydrophobicContact CD2-CG 3.92Å; F648-P704 HydrophobicContact CB-CG 4.2Å; F648-P704 HydrophobicContact CD1-CG 4.24Å; F648-P704 HydrophobicContact CD2-CB 4.13Å; F648-P704 HydrophobicContact CD2-CG 3.76Å; F648-P704 HydrophobicContact CE2-CB 4.12Å; F648-P704 HydrophobicContact CE2-CG 4.17Å; F648-P704 HydrophobicContact CG-CG 3.8Å; P704-I709 WeakPolarHBondContact O-CB 3.15Å; P704-I709 PolarHBondContact O-N 2.89Å; P704-L710 HydrophobicContact CB-CD1 4.26Å; P704-L710 HydrophobicContact CB-CD2 3.87Å; P704-L710 HydrophobicContact CB-CG 3.9Å; P704-L710 PolarHBondContact O-N 2.98Å
705	F	98.8	Very high	98	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-76.3	-48.9	174.5	164.7	-97.7	0	0	0	111.8	L702 F703 L707 Q708 L710 L717 I720 L721 M724 A773 L774 Y777	L702-F705 CarbonylContact O-C 3.57Å; L702-F705 WeakPolarHBondContact O-CA 3.47Å; L702-F705 VanDerWaalsContact O-CB 3.29Å; L702-F705 WeakPolarHBondContact O-CB 3.42Å; L702-F705 PolarHBondContact O-N 3.2Å; F703-F705 PolarHBondContact O-N 3.38Å; F705-L707 PolarHBondContact O-N 3.47Å; F705-Q708 PolarHBondContact O-N 3.25Å; F705-L710 HydrophobicContact CB-CD1 4.26Å; F705-L717 HydrophobicContact CD2-CD1 3.52Å; F705-L717 HydrophobicContact CE2-CD1 3.95Å; F705-I720 HydrophobicContact CB-CD1 3.98Å; F705-I720 HydrophobicContact CB-CG2 4.01Å; F705-I720 HydrophobicContact CD1-CG2 4.27Å; F705-I720 HydrophobicContact CD2-CG2 4.37Å; F705-I720 HydrophobicContact CG-CG2 3.95Å; F705-L721 HydrophobicContact CE2-CD2 4.1Å; F705-L721 HydrophobicContact CZ-CD2 4.38Å; F705-M724 HydrophobicContact CD1-SD 4.01Å; F705-M724 HydrophobicContact CE1-CE 3.84Å; F705-M724 HydrophobicContact CE1-SD 3.73Å; F705-M724 HydrophobicContact CZ-CE 4.24Å; F705-M724 HydrophobicContact CZ-SD 4.24Å; F705-A773 HydrophobicContact CD1-CB 4.08Å; F705-A773 HydrophobicContact CD2-CB 4.34Å; F705-A773 HydrophobicContact CE1-CB 3.59Å; F705-A773 HydrophobicContact CE2-CB 3.91Å; F705-A773 HydrophobicContact CG-CB 4.41Å; F705-A773 HydrophobicContact CZ-CB 3.49Å; F705-A773 VanDerWaalsContact CZ-CB 3.49Å; F705-A773 VanDerWaalsContact O-CB 3.28Å; F705-A773 WeakPolarHBondContact O-CB 3.22Å; F705-L774 HydrophobicContact CE1-CG 4.44Å; F705-L774 HydrophobicContact CE2-CD2 4.3Å; F705-L774 HydrophobicContact CZ-CD2 3.64Å; F705-L774 HydrophobicContact CZ-CG 3.74Å; F705-Y777 AromaticContact CD2-CD2 3.81Å; F705-Y777 HydrophobicContact CD2-CD2 3.81Å; F705-Y777 AromaticContact CD2-CE2 3.54Å; F705-Y777 HydrophobicContact CD2-CE2 3.54Å; F705-Y777 AromaticContact CE2-CD2 3.45Å; F705-Y777 HydrophobicContact CE2-CD2 3.45Å; F705-Y777 VanDerWaalsContact CE2-CD2 3.45Å; F705-Y777 AromaticContact CE2-CE2 3.68Å; F705-Y777 HydrophobicContact CE2-CE2 3.68Å; F705-Y777 HydrophobicContact CZ-CD2 4.46Å
706	L	98.9	Very high	98.2	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-57.8	-34.8	-176.7	-64.5	173.5	0	0	0	113	L702 F703 I766 L769 A770	L702-L706 HydrophobicContact CB-CD1 3.86Å; L702-L706 HydrophobicContact CB-CD2 4.25Å; L702-L706 HydrophobicContact CB-CG 3.77Å; L702-L706 WeakPolarHBondContact O-CG 3.32Å; L702-L706 PolarHBondContact O-N 3.24Å; F703-L706 HydrophobicContact CD2-CD1 4.07Å; F703-L706 HydrophobicContact CE2-CD1 4.29Å; F703-L706 HydrophobicContact CG-CD1 4.39Å; F703-L706 PolarHBondContact O-N 2.88Å; L706-I766 HydrophobicContact CD1-CG2 3.65Å; L706-I766 HydrophobicContact CD2-CG2 4.29Å; L706-L769 HydrophobicContact CB-CB 4.16Å; L706-L769 HydrophobicContact CD2-CB 4.16Å; L706-A770 HydrophobicContact CD2-CB 3.61Å
707	L	98.7	Very high	98.2	Very high	9 Å²	9	21.6 Å²	21.6	5%	0.047	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	16.9	179.4	-57.2	-168.5	0	0	0	113.2	C600 W601 L604 F703 F705 I709 L769	C600-L707 HydrophobicContact CB-CD1 3.9Å; W601-L707 HydrophobicContact CD2-CD1 3.93Å; W601-L707 HydrophobicContact CE3-CD1 3.75Å; W601-L707 HydrophobicContact CG-CD1 4.47Å; W601-L707 HydrophobicContact CH2-CD1 4.44Å; W601-L707 HydrophobicContact CH2-CD2 4.18Å; W601-L707 HydrophobicContact CZ3-CD1 4.01Å; W601-L707 HydrophobicContact CZ3-CD2 4.13Å; L604-L707 HydrophobicContact CB-CD1 4.31Å; L604-L707 HydrophobicContact CD2-CD1 4.24Å; L604-L707 HydrophobicContact CD2-CD2 4.24Å; F703-L707 HydrophobicContact CD1-CD1 4.2Å; F703-L707 HydrophobicContact CD1-CG 4.39Å; F703-L707 PolarHBondContact O-N 2.69Å; F705-L707 PolarHBondContact O-N 3.47Å; L707-I709 VanDerWaalsContact C-N 3.32Å; L707-I709 HydrophobicContact CB-CD1 4.28Å; L707-I709 HydrophobicContact CB-CG1 4.33Å; L707-I709 PolarHBondContact O-N 3.48Å; L707-L769 HydrophobicContact CD2-CD1 4.16Å
708	Q	98.5	Very high	98.2	Very high	58 Å²	58	24.5 Å²	24.5	27%	0.271	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	40.4	171.2	-57.9	168.8	-1.8	0	0	113.6	F705 A773 H776	F705-Q708 PolarHBondContact O-N 3.25Å; Q708-A773 HydrophobicContact CG-CB 4.42Å; Q708-H776 HydrophobicContact CG-CB 4.27Å
709	I	98.4	Very high	98.1	Very high	8 Å²	8	26.3 Å²	26.3	4%	0.041	14%	0.138	C	C	.	.			trans	-89.2	-31.1	-178.8	-61.7	173.1	0	0	0	111.6	C600 A603 R631 N633 L636 P704 L707	C600-I709 HydrophobicContact CB-CD1 3.52Å; A603-I709 HydrophobicContact CB-CD1 3.77Å; A603-I709 HydrophobicContact CB-CG1 4.41Å; R631-I709 HydrophobicContact CB-CG2 4.1Å; N633-I709 PolarHBondContact ND2-O 3.49Å; N633-I709 VanDerWaalsContact ND2-O 3.1Å; L636-I709 HydrophobicContact CD2-CG2 4.25Å; P704-I709 WeakPolarHBondContact O-CB 3.15Å; P704-I709 PolarHBondContact O-N 2.89Å; L707-I709 VanDerWaalsContact C-N 3.32Å; L707-I709 HydrophobicContact CB-CD1 4.28Å; L707-I709 HydrophobicContact CB-CG1 4.33Å; L707-I709 PolarHBondContact O-N 3.48Å
710	L	98.1	Very high	98.1	Very high	5 Å²	5	26.8 Å²	26.8	3%	0.026	14%	0.14	C	C	.	.	S	Bend	trans	-69.4	142.4	-177.6	-61.2	177.4	0	0	0	111.2	N633 L636 F648 P704 F705 I720 Y777	N633-L710 WeakPolarHBondContact OD1-CA 3.3Å; L636-L710 HydrophobicContact CD2-CD2 4.07Å; F648-L710 HydrophobicContact CE2-CD1 4.2Å; F648-L710 HydrophobicContact CE2-CD2 3.8Å; F648-L710 HydrophobicContact CZ-CD2 3.79Å; P704-L710 HydrophobicContact CB-CD1 4.26Å; P704-L710 HydrophobicContact CB-CD2 3.87Å; P704-L710 HydrophobicContact CB-CG 3.9Å; P704-L710 PolarHBondContact O-N 2.98Å; F705-L710 HydrophobicContact CB-CD1 4.26Å; L710-I720 HydrophobicContact CD1-CD1 3.5Å; L710-Y777 PolarHBondContact N-OH 3.47Å; L710-Y777 WeakPolarHBondContact O-CE1 3.31Å; L710-Y777 PolarHBondContact O-OH 3Å
711	Q	97.7	Very high	98.1	Very high	83 Å²	83	26.7 Å²	26.7	39%	0.388	14%	0.139	S	C	.	.			trans	-69.6	144.5	170	-61.7	-61.5	-13.2	0	0	110.4	N633 D713 S714	N633-Q711 PolarHBondContact OD1-N 2.84Å; Q711-D713 VanDerWaalsContact CB-OD1 3.29Å; Q711-D713 WeakPolarHBondContact CB-OD1 3.47Å; Q711-D713 PolarHBondContact O-N 2.78Å; Q711-D713 VanDerWaalsContact O-N 3.13Å; Q711-S714 WeakPolarHBondContact O-CB 3.34Å; Q711-S714 PolarHBondContact O-N 2.83Å
712	P	97.8	Very high	98	Very high	27 Å²	27	31 Å²	31	18%	0.175	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-24.9	-177.8	-25.7	34.7	0	0	0	114.8	T780 E781 Y784	P712-T780 HydrophobicContact CB-CG2 4.14Å; P712-T780 HydrophobicContact CG-CG2 3.53Å; P712-E781 WeakPolarHBondContact CB-O 3.27Å; P712-Y784 WeakPolarHBondContact O-CD2 3.03Å
713	D	97.2	Very high	97.9	Very high	108 Å²	108	31.2 Å²	31.2	58%	0.578	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.1	0.9	178.5	66.7	-19.4	0	0	0	113.9	Q711 P715 P783	Q711-D713 VanDerWaalsContact CB-OD1 3.29Å; Q711-D713 WeakPolarHBondContact CB-OD1 3.47Å; Q711-D713 PolarHBondContact O-N 2.78Å; Q711-D713 VanDerWaalsContact O-N 3.13Å; D713-P715 WeakPolarHBondContact O-CD 3.43Å; D713-P783 HydrophobicContact CB-CG 4.37Å
714	S	97.3	Very high	97.9	Very high	11 Å²	11	31.1 Å²	31.1	8%	0.077	16%	0.156	C	C	.	.			trans	-63.5	122.4	179.5	179.2	0	0	0	0	111.3	Q711 K716 L717 Y784	Q711-S714 WeakPolarHBondContact O-CB 3.34Å; Q711-S714 PolarHBondContact O-N 2.83Å; S714-K716 PolarHBondContact O-N 2.87Å; S714-K716 PolarHBondContact OG-N 3.08Å; S714-L717 VanDerWaalsContact O-CB 3.23Å; S714-L717 WeakPolarHBondContact O-CB 3.43Å; S714-L717 PolarHBondContact O-N 3.47Å; S714-Y784 VanDerWaalsContact O-CE2 3.3Å; S714-Y784 WeakPolarHBondContact O-CE2 3.31Å
715	P	96.6	Very high	97.8	Very high	79 Å²	79	35.3 Å²	35.3	51%	0.513	17%	0.172	S	C	.	.	H	α-helix	trans	-59.4	-20.7	176.8	-25.4	34.7	0	0	0	113.9	D713 L717 E718	D713-P715 WeakPolarHBondContact O-CD 3.43Å; P715-L717 VanDerWaalsContact C-N 3.26Å; P715-L717 PolarHBondContact O-N 2.68Å; P715-E718 WeakPolarHBondContact O-CB 3.3Å; P715-E718 PolarHBondContact O-N 3.15Å
716	K	97.8	Very high	97.8	Very high	32 Å²	32	37.3 Å²	37.3	14%	0.139	18%	0.182	C	C	.	.	H	α-helix	trans	-70	-27	177.7	-48.8	-41.6	-163.2	-179.6	0	111.5	W641 E643 F648 S714 E718 H719 I720	W641-K716 HydrophobicContact CD2-CD 3.93Å; W641-K716 HydrophobicContact CD2-CG 4.24Å; W641-K716 HydrophobicContact CE3-CB 4.2Å; W641-K716 HydrophobicContact CE3-CD 4.09Å; W641-K716 HydrophobicContact CE3-CG 4.02Å; W641-K716 HydrophobicContact CH2-CB 4.08Å; W641-K716 HydrophobicContact CH2-CD 3.71Å; W641-K716 HydrophobicContact CH2-CG 4.2Å; W641-K716 HydrophobicContact CZ2-CD 3.52Å; W641-K716 HydrophobicContact CZ2-CG 4.42Å; W641-K716 HydrophobicContact CZ3-CB 3.77Å; W641-K716 HydrophobicContact CZ3-CD 3.99Å; W641-K716 HydrophobicContact CZ3-CG 4Å; E643-K716 IonicContact OE1-NZ 2.98Å; E643-K716 PolarHBondContact OE1-NZ 3.22Å; E643-K716 VanDerWaalsContact OE1-NZ 3.12Å; E643-K716 IonicContact OE2-NZ 3Å; F648-K716 HydrophobicContact CE2-CB 4.14Å; F648-K716 HydrophobicContact CZ-CB 4.31Å; F648-K716 HydrophobicContact CZ-CG 4.43Å; S714-K716 PolarHBondContact O-N 2.87Å; S714-K716 PolarHBondContact OG-N 3.08Å; K716-E718 VanDerWaalsContact C-N 3.31Å; K716-E718 PolarHBondContact O-N 2.9Å; K716-H719 PolarHBondContact O-N 3.04Å; K716-I720 WeakPolarHBondContact O-CG1 3.48Å; K716-I720 PolarHBondContact O-N 3.08Å; K716-I720 VanDerWaalsContact O-N 3.13Å
717	L	97.8	Very high	97.8	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-61.7	-40.2	174	-177.2	55.6	0	0	0	111.1	F705 S714 P715 H719 I720 L721 Y777 Y784	F705-L717 HydrophobicContact CD2-CD1 3.52Å; F705-L717 HydrophobicContact CE2-CD1 3.95Å; S714-L717 VanDerWaalsContact O-CB 3.23Å; S714-L717 WeakPolarHBondContact O-CB 3.43Å; S714-L717 PolarHBondContact O-N 3.47Å; P715-L717 VanDerWaalsContact C-N 3.26Å; P715-L717 PolarHBondContact O-N 2.68Å; L717-H719 VanDerWaalsContact C-N 3.32Å; L717-H719 PolarHBondContact O-N 2.89Å; L717-I720 PolarHBondContact O-N 3.08Å; L717-L721 HydrophobicContact CD1-CD1 4.39Å; L717-L721 HydrophobicContact CD1-CD2 4.4Å; L717-L721 HydrophobicContact CD1-CG 4.13Å; L717-L721 HydrophobicContact CG-CD1 4.18Å; L717-L721 HydrophobicContact CG-CG 4.35Å; L717-L721 WeakPolarHBondContact O-CG 3.45Å; L717-L721 PolarHBondContact O-N 3.15Å; L717-Y777 HydrophobicContact CD2-CD1 3.72Å; L717-Y777 HydrophobicContact CD2-CE1 3.99Å; L717-Y777 HydrophobicContact CD2-CG 4.1Å; L717-Y784 HydrophobicContact CB-CD2 4.01Å; L717-Y784 HydrophobicContact CB-CE2 4.36Å; L717-Y784 HydrophobicContact CD2-CD2 4.01Å; L717-Y784 HydrophobicContact CG-CD2 4.11Å
718	E	96.5	Very high	97.7	Very high	84 Å²	84	44.5 Å²	44.5	39%	0.393	23%	0.228	S	C	.	.	H	α-helix	trans	-58.3	-44.8	177.1	-162.5	-174.3	155.5	0	0	112.7	P715 K716 L721 R722 Y784 K787	P715-E718 WeakPolarHBondContact O-CB 3.3Å; P715-E718 PolarHBondContact O-N 3.15Å; K716-E718 VanDerWaalsContact C-N 3.31Å; K716-E718 PolarHBondContact O-N 2.9Å; E718-L721 PolarHBondContact O-N 3.08Å; E718-R722 WeakPolarHBondContact O-CB 3.43Å; E718-R722 PolarHBondContact O-N 3.11Å; E718-Y784 HydrophobicContact CB-CD1 4.07Å; E718-Y784 HydrophobicContact CB-CE1 3.45Å; E718-Y784 VanDerWaalsContact CB-CE1 3.45Å; E718-Y784 HydrophobicContact CB-CE2 4.27Å; E718-Y784 HydrophobicContact CG-CD1 4.06Å; E718-Y784 HydrophobicContact CG-CE1 3.51Å; E718-Y784 PolarHBondContact OE2-OH 2.75Å; E718-K787 PolarHBondContact O-NZ 3.28Å
719	H	97.1	Very high	97.7	Very high	38 Å²	38	43.7 Å²	43.7	18%	0.176	22%	0.224	C	C	.	.	H	α-helix	trans	-63.9	-42.1	178.5	-70.3	-33.6	0	0	0	111.4	W641 K716 L717 R722 D723	W641-H719 HydrophobicContact CH2-CB 4.28Å; W641-H719 AromaticContact CH2-CD2 3.83Å; W641-H719 AromaticContact CZ2-CD2 3.94Å; K716-H719 PolarHBondContact O-N 3.04Å; L717-H719 VanDerWaalsContact C-N 3.32Å; L717-H719 PolarHBondContact O-N 2.89Å; H719-R722 PolarHBondContact ND1-NH1 3.21Å; H719-R722 PolarHBondContact O-N 3.18Å; H719-D723 WeakPolarHBondContact O-CB 3.4Å; H719-D723 PolarHBondContact O-N 3.3Å
720	I	98.4	Very high	97.7	Very high	10 Å²	10	43.3 Å²	43.3	5%	0.051	22%	0.222	C	C	.	.	H	α-helix	trans	-60.9	-52.8	175.2	-71.5	170.1	0	0	0	110.5	F648 L702 F705 L710 K716 L717 R722 D723 M724	F648-I720 HydrophobicContact CD2-CD1 4.16Å; F648-I720 HydrophobicContact CE2-CD1 4.19Å; L702-I720 HydrophobicContact CD2-CG2 3.77Å; F705-I720 HydrophobicContact CB-CD1 3.98Å; F705-I720 HydrophobicContact CB-CG2 4.01Å; F705-I720 HydrophobicContact CD1-CG2 4.27Å; F705-I720 HydrophobicContact CD2-CG2 4.37Å; F705-I720 HydrophobicContact CG-CG2 3.95Å; L710-I720 HydrophobicContact CD1-CD1 3.5Å; K716-I720 WeakPolarHBondContact O-CG1 3.48Å; K716-I720 PolarHBondContact O-N 3.08Å; K716-I720 VanDerWaalsContact O-N 3.13Å; L717-I720 PolarHBondContact O-N 3.08Å; I720-R722 VanDerWaalsContact C-N 3.28Å; I720-R722 PolarHBondContact O-N 3.29Å; I720-D723 PolarHBondContact O-N 2.79Å; I720-M724 HydrophobicContact CG2-CG 4.19Å; I720-M724 HydrophobicContact CG2-SD 3.58Å; I720-M724 VanDerWaalsContact CG2-SD 3.58Å; I720-M724 WeakPolarHBondContact O-CB 3.39Å; I720-M724 VanDerWaalsContact O-CG 3.25Å; I720-M724 WeakPolarHBondContact O-CG 3.43Å; I720-M724 PolarHBondContact O-N 2.82Å
721	L	98.6	Very high	97.8	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-61.3	-37.2	-179.4	-64.2	178.9	0	0	0	112	F705 L717 E718 R725 L774 K787 A788 L791	F705-L721 HydrophobicContact CE2-CD2 4.1Å; F705-L721 HydrophobicContact CZ-CD2 4.38Å; L717-L721 HydrophobicContact CD1-CD1 4.39Å; L717-L721 HydrophobicContact CD1-CD2 4.4Å; L717-L721 HydrophobicContact CD1-CG 4.13Å; L717-L721 HydrophobicContact CG-CD1 4.18Å; L717-L721 HydrophobicContact CG-CG 4.35Å; L717-L721 WeakPolarHBondContact O-CG 3.45Å; L717-L721 PolarHBondContact O-N 3.15Å; E718-L721 PolarHBondContact O-N 3.08Å; L721-R725 WeakPolarHBondContact O-CB 2.99Å; L721-R725 PolarHBondContact O-N 3.16Å; L721-L774 HydrophobicContact CD2-CD2 3.58Å; L721-K787 HydrophobicContact CB-CD 4.09Å; L721-K787 HydrophobicContact CB-CG 4.44Å; L721-K787 HydrophobicContact CD1-CB 4.37Å; L721-K787 HydrophobicContact CD1-CD 4.13Å; L721-K787 HydrophobicContact CD1-CG 4.19Å; L721-A788 HydrophobicContact CD1-CB 4.32Å; L721-L791 HydrophobicContact CB-CD1 3.87Å; L721-L791 HydrophobicContact CD2-CD1 3.88Å; L721-L791 HydrophobicContact CG-CD1 4.37Å
722	R	97.9	Very high	97.8	Very high	93 Å²	93	40.3 Å²	40.3	35%	0.351	21%	0.207	S	C	.	.	H	α-helix	trans	-63.7	-50.9	174.7	-176.9	-165	66.2	-149.3	-8.4	111.4	E718 H719 I720 R725 D726	E718-R722 WeakPolarHBondContact O-CB 3.43Å; E718-R722 PolarHBondContact O-N 3.11Å; H719-R722 PolarHBondContact ND1-NH1 3.21Å; H719-R722 PolarHBondContact O-N 3.18Å; I720-R722 VanDerWaalsContact C-N 3.28Å; I720-R722 PolarHBondContact O-N 3.29Å; R722-R725 PolarHBondContact O-N 2.86Å; R722-D726 PolarHBondContact O-N 3.35Å
723	D	96.9	Very high	97.8	Very high	8 Å²	8	43.1 Å²	43.1	4%	0.043	23%	0.225	C	C	.	.	H	α-helix	trans	-72.3	-30.9	-175.3	-76.8	15.2	0	0	0	112.2	L697 H719 I720 R725 D726 K729	L697-D723 HydrophobicContact CD2-CB 4.34Å; H719-D723 WeakPolarHBondContact O-CB 3.4Å; H719-D723 PolarHBondContact O-N 3.3Å; I720-D723 PolarHBondContact O-N 2.79Å; D723-R725 VanDerWaalsContact C-N 3.34Å; D723-D726 PolarHBondContact O-N 3.13Å; D723-K729 HydrophobicContact CB-CD 4.07Å; D723-K729 IonicContact OD1-NZ 3.18Å; D723-K729 PolarHBondContact OD1-NZ 3.04Å; D723-K729 IonicContact OD2-NZ 3.42Å; D723-K729 PolarHBondContact OD2-NZ 2.82Å
724	M	97.8	Very high	97.9	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-60.1	-43.2	169.4	-78.4	174.6	57.2	0	0	111.8	L702 F705 I720 D726 W731 L736 L774	L702-M724 HydrophobicContact CD1-CG 4.17Å; L702-M724 HydrophobicContact CD1-SD 4.48Å; L702-M724 HydrophobicContact CD2-CG 3.82Å; L702-M724 HydrophobicContact CD2-SD 4.15Å; F705-M724 HydrophobicContact CD1-SD 4.01Å; F705-M724 HydrophobicContact CE1-CE 3.84Å; F705-M724 HydrophobicContact CE1-SD 3.73Å; F705-M724 HydrophobicContact CZ-CE 4.24Å; F705-M724 HydrophobicContact CZ-SD 4.24Å; I720-M724 HydrophobicContact CG2-CG 4.19Å; I720-M724 HydrophobicContact CG2-SD 3.58Å; I720-M724 VanDerWaalsContact CG2-SD 3.58Å; I720-M724 WeakPolarHBondContact O-CB 3.39Å; I720-M724 VanDerWaalsContact O-CG 3.25Å; I720-M724 WeakPolarHBondContact O-CG 3.43Å; I720-M724 PolarHBondContact O-N 2.82Å; M724-D726 VanDerWaalsContact C-N 3.31Å; M724-W731 VanDerWaalsContact O-CB 3.27Å; M724-W731 WeakPolarHBondContact O-CB 3.48Å; M724-W731 PolarHBondContact O-N 2.99Å; M724-L736 HydrophobicContact CB-CD2 4.48Å; M724-L736 HydrophobicContact CE-CD1 3.81Å; M724-L774 HydrophobicContact CE-CD1 4.05Å; M724-L774 HydrophobicContact CE-CD2 4.1Å; M724-L774 HydrophobicContact CE-CG 4.23Å
725	R	97.9	Very high	98	Very high	87 Å²	87	39.3 Å²	39.3	33%	0.328	20%	0.202	S	C	.	.	H	α-helix	trans	-78	-12.6	-178	-174.6	48.2	166.2	-164.8	0.1	113.9	L721 R722 D723 P727 W731 L791 E794	L721-R725 WeakPolarHBondContact O-CB 2.99Å; L721-R725 PolarHBondContact O-N 3.16Å; R722-R725 PolarHBondContact O-N 2.86Å; D723-R725 VanDerWaalsContact C-N 3.34Å; R725-P727 VanDerWaalsContact O-CD 3.32Å; R725-P727 WeakPolarHBondContact O-CD 3.42Å; R725-W731 VanDerWaalsContact NH1-CE2 3.29Å; R725-W731 WeakPolarHBondContact O-CB 3.42Å; R725-L791 HydrophobicContact CB-CD2 3.72Å; R725-L791 VanDerWaalsContact CD-CD2 3.47Å; R725-L791 HydrophobicContact CG-CD2 3.77Å; R725-E794 IonicContact CZ-OE1 3.68Å; R725-E794 IonicContact CZ-OE2 2.85Å; R725-E794 IonicContact NH1-OE1 2.98Å; R725-E794 PolarHBondContact NH1-OE1 3Å; R725-E794 IonicContact NH1-OE2 2.8Å; R725-E794 PolarHBondContact NH1-OE2 2.79Å; R725-E794 IonicContact NH2-OE1 2.89Å; R725-E794 PolarHBondContact NH2-OE1 3.04Å; R725-E794 IonicContact NH2-OE2 3.77Å; R725-E794 PolarHBondContact NH2-OE2 2.84Å
726	D	98.3	Very high	98.1	Very high	42 Å²	42	35.6 Å²	35.6	23%	0.225	18%	0.178	C	C	.	.			trans	-76	115.9	-177.8	-175	-18.1	0	0	0	111	R722 D723 M724 T728 K729 L730 W731	R722-D726 PolarHBondContact O-N 3.35Å; D723-D726 PolarHBondContact O-N 3.13Å; M724-D726 VanDerWaalsContact C-N 3.31Å; D726-T728 VanDerWaalsContact CG-OG1 3.27Å; D726-T728 PolarHBondContact O-N 3.08Å; D726-T728 WeakPolarHBondContact OD1-CA 3.25Å; D726-T728 WeakPolarHBondContact OD1-CB 3.36Å; D726-T728 PolarHBondContact OD1-N 2.81Å; D726-T728 PolarHBondContact OD1-OG1 2.81Å; D726-T728 PolarHBondContact OD2-OG1 3.47Å; D726-K729 HydrophobicContact CB-CB 4.07Å; D726-K729 HydrophobicContact CB-CD 4Å; D726-K729 HydrophobicContact CB-CG 4.1Å; D726-K729 CarbonylContact O-C 3.57Å; D726-K729 PolarHBondContact O-N 2.9Å; D726-K729 WeakPolarHBondContact OD2-CD 3.34Å; D726-K729 WeakPolarHBondContact OD2-CE 3.37Å; D726-L730 PolarHBondContact O-N 3.04Å; D726-L730 VanDerWaalsContact O-N 3.09Å; D726-W731 PolarHBondContact O-N 3.1Å
727	P	97.9	Very high	98.1	Very high	81 Å²	81	34.9 Å²	34.9	53%	0.526	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-20.3	-179.5	29.5	-35.5	0	0	0	113.3	R725 W731 R737	R725-P727 VanDerWaalsContact O-CD 3.32Å; R725-P727 WeakPolarHBondContact O-CD 3.42Å; P727-W731 WeakPolarHBondContact CA-O 3.4Å; P727-R737 PolarHBondContact O-NH1 3.2Å
728	T	98.1	Very high	98.2	Very high	79 Å²	79	34.8 Å²	34.8	49%	0.485	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-14.2	172.6	76	0	0	0	0	112.3	D726 K741 T742	D726-T728 VanDerWaalsContact CG-OG1 3.27Å; D726-T728 PolarHBondContact O-N 3.08Å; D726-T728 WeakPolarHBondContact OD1-CA 3.25Å; D726-T728 WeakPolarHBondContact OD1-CB 3.36Å; D726-T728 PolarHBondContact OD1-N 2.81Å; D726-T728 PolarHBondContact OD1-OG1 2.81Å; D726-T728 PolarHBondContact OD2-OG1 3.47Å; T728-K741 WeakPolarHBondContact O-CB 3.28Å; T728-T742 WeakPolarHBondContact O-CG2 3.39Å
729	K	98.4	Very high	98.3	Very high	41 Å²	41	30.8 Å²	30.8	18%	0.178	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-96.6	176.8	-60.1	176.9	179.9	-175.3	0	111.1	L697 D723 D726 R737 S740 K741 T742	L697-K729 HydrophobicContact CD2-CB 4.47Å; L697-K729 HydrophobicContact CD2-CD 3.79Å; L697-K729 HydrophobicContact CD2-CG 4.4Å; D723-K729 HydrophobicContact CB-CD 4.07Å; D723-K729 IonicContact OD1-NZ 3.18Å; D723-K729 PolarHBondContact OD1-NZ 3.04Å; D723-K729 IonicContact OD2-NZ 3.42Å; D723-K729 PolarHBondContact OD2-NZ 2.82Å; D726-K729 HydrophobicContact CB-CB 4.07Å; D726-K729 HydrophobicContact CB-CD 4Å; D726-K729 HydrophobicContact CB-CG 4.1Å; D726-K729 CarbonylContact O-C 3.57Å; D726-K729 PolarHBondContact O-N 2.9Å; D726-K729 WeakPolarHBondContact OD2-CD 3.34Å; D726-K729 WeakPolarHBondContact OD2-CE 3.37Å; K729-R737 WeakPolarHBondContact O-CD 3.43Å; K729-R737 PolarHBondContact O-NH1 2.85Å; K729-S740 WeakPolarHBondContact CA-OG 3.26Å; K729-S740 WeakPolarHBondContact CB-OG 3.4Å; K729-K741 PolarHBondContact O-N 2.79Å; K729-K741 VanDerWaalsContact O-N 3.14Å; K729-T742 HydrophobicContact CG-CG2 4.35Å
730	L	98.6	Very high	98.3	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104	-23.6	-168	-58	178.5	0	0	0	113.9	L702 D726 L736 R737	L702-L730 HydrophobicContact CD1-CD1 4.14Å; L702-L730 HydrophobicContact CD2-CD1 4.3Å; L702-L730 HydrophobicContact CG-CD1 4.45Å; D726-L730 PolarHBondContact O-N 3.04Å; D726-L730 VanDerWaalsContact O-N 3.09Å; L730-L736 WeakPolarHBondContact O-CA 3.36Å; L730-R737 HydrophobicContact CD2-CB 4.44Å; L730-R737 PolarHBondContact O-N 2.73Å
731	W	98.8	Very high	98.3	Very high	24 Å²	24	33.9 Å²	33.9	9%	0.091	17%	0.168	C	C	.	.			trans	-74.9	138.1	-173	-164.8	-100.6	0	0	0	112.6	M724 R725 D726 P727 L736 R737 L791 E794 L795	M724-W731 VanDerWaalsContact O-CB 3.27Å; M724-W731 WeakPolarHBondContact O-CB 3.48Å; M724-W731 PolarHBondContact O-N 2.99Å; R725-W731 VanDerWaalsContact NH1-CE2 3.29Å; R725-W731 WeakPolarHBondContact O-CB 3.42Å; D726-W731 PolarHBondContact O-N 3.1Å; P727-W731 WeakPolarHBondContact CA-O 3.4Å; W731-L736 HydrophobicContact CE3-CD2 3.82Å; W731-L736 HydrophobicContact CZ3-CD2 4.23Å; W731-R737 PolarHBondContact O-NH1 3.23Å; W731-R737 VanDerWaalsContact O-NH1 3.15Å; W731-L791 HydrophobicContact CH2-CD2 4.18Å; W731-L791 HydrophobicContact CZ3-CD2 3.94Å; W731-E794 HydrophobicContact CH2-CB 4.06Å; W731-E794 HydrophobicContact CZ2-CB 3.97Å; W731-L795 HydrophobicContact CH2-CB 3.73Å; W731-L795 HydrophobicContact CH2-CD1 4.35Å; W731-L795 HydrophobicContact CZ3-CB 3.98Å; W731-L795 HydrophobicContact CZ3-CD1 4.18Å
732	T	98.6	Very high	98.2	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.006	19%	0.194	C	C	.	.			trans	-141.1	162.7	169.7	85.4	0	0	0	0	110.7	F734 G735 R737 N798 D819	T732-F734 PolarHBondContact O-N 3.42Å; T732-F734 VanDerWaalsContact O-N 3.11Å; T732-F734 PolarHBondContact OG1-N 3.29Å; T732-G735 WeakPolarHBondContact CB-O 3.33Å; T732-G735 WeakPolarHBondContact CG2-O 3.47Å; T732-G735 PolarHBondContact N-O 2.88Å; T732-G735 PolarHBondContact OG1-N 3.21Å; T732-G735 VanDerWaalsContact OG1-N 3.08Å; T732-G735 PolarHBondContact OG1-O 2.83Å; T732-R737 HydrophobicContact CG2-CG 3.55Å; T732-N798 PolarHBondContact O-ND2 3.05Å; T732-D819 HydrophobicContact CG2-CB 4.04Å
733	P	98.4	Very high	98.2	Very high	86 Å²	86	34.3 Å²	34.3	56%	0.558	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-4	168.6	-20.8	34.3	0	0	0	114.8	N798	P733-N798 VanDerWaalsContact O-CB 3.26Å; P733-N798 WeakPolarHBondContact O-CB 3.34Å
734	F	98.6	Very high	98.1	Very high	40 Å²	40	37.7 Å²	37.7	18%	0.175	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.6	-6.7	-171.2	-43.5	-63.8	0	0	0	113.2	T732 N802 T821 G822	T732-F734 PolarHBondContact O-N 3.42Å; T732-F734 VanDerWaalsContact O-N 3.11Å; T732-F734 PolarHBondContact OG1-N 3.29Å; F734-N802 HydrophobicContact CB-CB 4.12Å; F734-N802 HydrophobicContact CD1-CB 4.1Å; F734-N802 VanDerWaalsContact CD1-OD1 3.28Å; F734-N802 WeakPolarHBondContact CD1-OD1 3.28Å; F734-T821 VanDerWaalsContact CZ-C 3.44Å; F734-G822 VanDerWaalsContact CD1-CA 3.5Å; F734-G822 VanDerWaalsContact CE2-N 3.31Å; F734-G822 VanDerWaalsContact CG-CA 3.45Å
735	G	98.6	Very high	98	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.208	C	C	.	.	S	Bend	trans	134.1	-176	-173.7	0	0	0	0	0	112.9	T732	T732-G735 WeakPolarHBondContact CB-O 3.33Å; T732-G735 WeakPolarHBondContact CG2-O 3.47Å; T732-G735 PolarHBondContact N-O 2.88Å; T732-G735 PolarHBondContact OG1-N 3.21Å; T732-G735 VanDerWaalsContact OG1-N 3.08Å; T732-G735 PolarHBondContact OG1-O 2.83Å
736	L	98.9	Very high	98	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	20%	0.201	C	C	.	.			trans	-81.7	134.8	177.1	-58.3	175.3	0	0	0	111.2	Y699 L702 M724 L730 W731 N767 A770 L795	Y699-L736 HydrophobicContact CE1-CB 4.13Å; Y699-L736 PolarHBondContact OH-O 3.33Å; L702-L736 HydrophobicContact CD1-CD1 4.34Å; M724-L736 HydrophobicContact CB-CD2 4.48Å; M724-L736 HydrophobicContact CE-CD1 3.81Å; L730-L736 WeakPolarHBondContact O-CA 3.36Å; W731-L736 HydrophobicContact CE3-CD2 3.82Å; W731-L736 HydrophobicContact CZ3-CD2 4.23Å; L736-N767 WeakPolarHBondContact CB-OD1 3.25Å; L736-N767 PolarHBondContact N-OD1 2.94Å; L736-N767 PolarHBondContact O-ND2 3.03Å; L736-A770 HydrophobicContact CD1-CB 3.66Å; L736-L795 HydrophobicContact CD1-CD2 3.81Å; L736-L795 HydrophobicContact CD2-CD1 4.11Å; L736-L795 HydrophobicContact CD2-CD2 4.34Å; L736-L795 HydrophobicContact CG-CD1 3.86Å; L736-L795 HydrophobicContact CG-CD2 3.87Å
737	R	98.8	Very high	97.9	Very high	16 Å²	16	37.6 Å²	37.6	6%	0.06	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-63.9	144.7	171.3	-62	-168.5	-179.5	87.6	11.4	111.8	Y699 P727 K729 L730 W731 T732 L739 G760 D819	Y699-R737 WeakPolarHBondContact CD1-O 3.34Å; Y699-R737 VanDerWaalsContact CE1-C 3.43Å; Y699-R737 WeakPolarHBondContact CE1-O 3.29Å; P727-R737 PolarHBondContact O-NH1 3.2Å; K729-R737 WeakPolarHBondContact O-CD 3.43Å; K729-R737 PolarHBondContact O-NH1 2.85Å; L730-R737 HydrophobicContact CD2-CB 4.44Å; L730-R737 PolarHBondContact O-N 2.73Å; W731-R737 PolarHBondContact O-NH1 3.23Å; W731-R737 VanDerWaalsContact O-NH1 3.15Å; T732-R737 HydrophobicContact CG2-CG 3.55Å; R737-L739 VanDerWaalsContact C-N 3.3Å; R737-L739 WeakPolarHBondContact CB-O 3.26Å; R737-L739 PolarHBondContact O-N 3.17Å; R737-G760 WeakPolarHBondContact CA-O 3.19Å; R737-G760 VanDerWaalsContact CB-O 3.3Å; R737-G760 WeakPolarHBondContact CB-O 3.37Å; R737-D819 WeakPolarHBondContact CD-OD2 3.27Å; R737-D819 HydrophobicContact CG-CB 3.83Å; R737-D819 IonicContact CZ-OD2 3.39Å; R737-D819 IonicContact NE-OD2 3.2Å; R737-D819 PolarHBondContact NE-OD2 3.09Å; R737-D819 IonicContact NH2-OD2 2.68Å
738	S	98.8	Very high	97.8	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.199	C	C	.	.	S	Bend	trans	-63	-35.4	170.7	42.4	0	0	0	0	113.3	Y583 G698 Y699 W758 R759 G760 P761	Y583-S738 WeakPolarHBondContact CE2-O 3.37Å; G698-S738 CarbonylContact C-O 3.54Å; G698-S738 VanDerWaalsContact CA-O 3.29Å; G698-S738 WeakPolarHBondContact CA-O 3.46Å; Y699-S738 VanDerWaalsContact CE2-CA 3.42Å; Y699-S738 VanDerWaalsContact CE2-CB 3.45Å; Y699-S738 PolarHBondContact N-O 3.26Å; S738-W758 VanDerWaalsContact OG-C 3.28Å; S738-R759 PolarHBondContact OG-N 3.01Å; S738-G760 PolarHBondContact N-O 2.81Å; S738-G760 VanDerWaalsContact OG-C 3.26Å; S738-G760 PolarHBondContact OG-N 3.34Å; S738-P761 VanDerWaalsContact CB-O 3.26Å; S738-P761 WeakPolarHBondContact CB-O 3.29Å; S738-P761 PolarHBondContact N-O 3Å; S738-P761 PolarHBondContact OG-O 2.86Å
739	L	98.8	Very high	97.6	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-136	142.7	178.3	-170.5	68.2	0	0	0	110.1	Y583 P584 A696 R737 K741 D743 L745 R759	Y583-L739 HydrophobicContact CE2-CD1 4.15Å; P584-L739 HydrophobicContact CG-CD1 4.14Å; P584-L739 HydrophobicContact CG-CD2 3.75Å; A696-L739 HydrophobicContact CB-CD1 4.48Å; R737-L739 VanDerWaalsContact C-N 3.3Å; R737-L739 WeakPolarHBondContact CB-O 3.26Å; R737-L739 PolarHBondContact O-N 3.17Å; L739-K741 PolarHBondContact O-N 3.2Å; L739-D743 HydrophobicContact CD1-CB 4.2Å; L739-D743 HydrophobicContact CD2-CB 3.91Å; L739-D743 HydrophobicContact CG-CB 3.8Å; L739-L745 HydrophobicContact CD2-CB 4.33Å; L739-R759 HydrophobicContact CD2-CB 4.12Å; L739-R759 HydrophobicContact CD2-CG 4.19Å
740	S	98.5	Very high	97.3	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.007	19%	0.191	C	C	.	.			trans	-56.1	135.8	177.4	-179	0	0	0	0	111	L697 K729 T742 D743	L697-S740 WeakPolarHBondContact O-CB 3.29Å; L697-S740 PolarHBondContact O-N 2.72Å; K729-S740 WeakPolarHBondContact CA-OG 3.26Å; K729-S740 WeakPolarHBondContact CB-OG 3.4Å; S740-T742 PolarHBondContact O-N 3.39Å; S740-T742 VanDerWaalsContact O-N 3.16Å; S740-T742 PolarHBondContact OG-N 2.89Å; S740-T742 PolarHBondContact OG-OG1 3.19Å; S740-D743 WeakPolarHBondContact O-CB 3.28Å; S740-D743 PolarHBondContact O-N 3.22Å
741	K	97.6	Very high	96.8	Very high	111 Å²	111	39.2 Å²	39.2	48%	0.483	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-17.6	174.6	179.6	175.6	-174.2	-179.8	0	113.3	T728 K729 L739 D743 Y746	T728-K741 WeakPolarHBondContact O-CB 3.28Å; K729-K741 PolarHBondContact O-N 2.79Å; K729-K741 VanDerWaalsContact O-N 3.14Å; L739-K741 PolarHBondContact O-N 3.2Å; K741-D743 VanDerWaalsContact C-N 3.33Å; K741-Y746 HydrophobicContact CB-CD2 4.28Å; K741-Y746 HydrophobicContact CB-CE1 4.46Å; K741-Y746 HydrophobicContact CB-CE2 4.19Å; K741-Y746 HydrophobicContact CB-CG 4.45Å; K741-Y746 HydrophobicContact CG-CD1 4.14Å; K741-Y746 HydrophobicContact CG-CE1 3.86Å; K741-Y746 HydrophobicContact CG-CE2 4.41Å
742	T	96.6	Very high	96.2	Very high	89 Å²	89	42 Å²	42	55%	0.546	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-8.2	172.4	65.9	0	0	0	0	113.8	T728 K729 S740	T728-T742 WeakPolarHBondContact O-CG2 3.39Å; K729-T742 HydrophobicContact CG-CG2 4.35Å; S740-T742 PolarHBondContact O-N 3.39Å; S740-T742 VanDerWaalsContact O-N 3.16Å; S740-T742 PolarHBondContact OG-N 2.89Å; S740-T742 PolarHBondContact OG-OG1 3.19Å
743	D	96.9	Very high	95.7	Very high	14 Å²	14	49.6 Å²	49.6	8%	0.075	25%	0.245	C	C	.	.	S	Bend	trans	-73.2	136.5	179.9	-165.3	-78.2	0	0	0	110.6	A696 L739 S740 K741 L745 Y746	A696-D743 WeakPolarHBondContact CA-OD2 3.12Å; L739-D743 HydrophobicContact CD1-CB 4.2Å; L739-D743 HydrophobicContact CD2-CB 3.91Å; L739-D743 HydrophobicContact CG-CB 3.8Å; S740-D743 WeakPolarHBondContact O-CB 3.28Å; S740-D743 PolarHBondContact O-N 3.22Å; K741-D743 VanDerWaalsContact C-N 3.33Å; D743-L745 PolarHBondContact O-N 3.09Å; D743-L745 VanDerWaalsContact O-N 3.08Å; D743-L745 WeakPolarHBondContact OD1-CB 3.15Å; D743-L745 PolarHBondContact OD1-N 3.05Å; D743-Y746 WeakPolarHBondContact O-CB 3.33Å; D743-Y746 PolarHBondContact O-N 2.99Å
744	P	94.9	Very high	95.2	Very high	78 Å²	78	47.6 Å²	47.6	51%	0.506	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-19.1	177.1	-24.4	34.3	0	0	0	114.9
745	L	96.3	Very high	94.9	Very high	20 Å²	20	50.3 Å²	50.3	11%	0.105	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	6.3	178.7	-59	-175.9	0	0	0	113.3	L571 N572 P584 L739 D743 M747 E748 R759	L571-L745 HydrophobicContact CD1-CD2 4.44Å; L571-L745 HydrophobicContact CD2-CD2 3.51Å; L571-L745 HydrophobicContact CG-CD2 3.88Å; N572-L745 HydrophobicContact CB-CD1 4.26Å; P584-L745 HydrophobicContact CB-CD1 3.83Å; P584-L745 HydrophobicContact CG-CB 3.91Å; P584-L745 HydrophobicContact CG-CD1 3.73Å; P584-L745 HydrophobicContact CG-CG 4.42Å; L739-L745 HydrophobicContact CD2-CB 4.33Å; D743-L745 PolarHBondContact O-N 3.09Å; D743-L745 VanDerWaalsContact O-N 3.08Å; D743-L745 WeakPolarHBondContact OD1-CB 3.15Å; D743-L745 PolarHBondContact OD1-N 3.05Å; L745-M747 PolarHBondContact O-N 2.82Å; L745-E748 HydrophobicContact CD2-CB 4.42Å; L745-E748 PolarHBondContact O-N 3.08Å; L745-E748 VanDerWaalsContact O-N 3.16Å; L745-R759 WeakPolarHBondContact O-CD 3.41Å
746	Y	97.8	Very high	94.7	Very high	48 Å²	48	51.8 Å²	51.8	19%	0.188	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	124.2	172.2	169.5	-99.1	0	0	0	110.9	K741 D743 E748 R759 D819	K741-Y746 HydrophobicContact CB-CD2 4.28Å; K741-Y746 HydrophobicContact CB-CE1 4.46Å; K741-Y746 HydrophobicContact CB-CE2 4.19Å; K741-Y746 HydrophobicContact CB-CG 4.45Å; K741-Y746 HydrophobicContact CG-CD1 4.14Å; K741-Y746 HydrophobicContact CG-CE1 3.86Å; K741-Y746 HydrophobicContact CG-CE2 4.41Å; D743-Y746 WeakPolarHBondContact O-CB 3.33Å; D743-Y746 PolarHBondContact O-N 2.99Å; Y746-E748 PolarHBondContact O-N 3.01Å; Y746-E748 VanDerWaalsContact O-N 3.07Å; Y746-R759 WeakPolarHBondContact CA-O 3.13Å; Y746-D819 WeakPolarHBondContact CE2-OD2 3.31Å; Y746-D819 PolarHBondContact OH-OD1 3.41Å; Y746-D819 PolarHBondContact OH-OD2 3.12Å
747	M	96.8	Very high	94.6	Very high	59 Å²	59	54.7 Å²	54.7	29%	0.291	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.9	16.1	-175.8	-64.8	-62.7	-177	0	0	115.6	L745 P756 R759 P761 D819	L745-M747 PolarHBondContact O-N 2.82Å; M747-P756 HydrophobicContact SD-CB 4.33Å; M747-P756 HydrophobicContact SD-CG 4.01Å; M747-R759 PolarHBondContact N-O 3.27Å; M747-P761 HydrophobicContact CE-CG 4.15Å; M747-D819 WeakPolarHBondContact CE-OD1 3.27Å
748	E	95.9	Very high	94.5	Very high	91 Å²	91	54 Å²	54	43%	0.425	27%	0.269	S	S	.	.			trans	-84.2	129.9	175.4	-72.5	-60	146.1	0	0	111.4	L571 L745 Y746 R759	L571-E748 HydrophobicContact CD2-CB 4.11Å; L745-E748 HydrophobicContact CD2-CB 4.42Å; L745-E748 PolarHBondContact O-N 3.08Å; L745-E748 VanDerWaalsContact O-N 3.16Å; Y746-E748 PolarHBondContact O-N 3.01Å; Y746-E748 VanDerWaalsContact O-N 3.07Å; E748-R759 VanDerWaalsContact O-CD 3.27Å; E748-R759 WeakPolarHBondContact O-CD 3.28Å; E748-R759 PolarHBondContact O-NH1 2.71Å
749	R	93.8	Very high	94.5	Very high	128 Å²	128	54 Å²	54	48%	0.483	27%	0.269	S	S	.	.			trans	-63.1	148.5	173.3	71.6	-179.5	107.8	-173.8	4.3	111	L660 T751 D754	L660-R749 HydrophobicContact CD1-CG 4.16Å; R749-T751 WeakPolarHBondContact CD-O 3.42Å; R749-T751 WeakPolarHBondContact CG-O 3.38Å; R749-D754 CarbonylContact C-O 3.57Å; R749-D754 WeakPolarHBondContact CA-O 3.26Å; R749-D754 WeakPolarHBondContact CB-O 3.03Å
750	N	91.8	Very high	94.5	Very high	1 Å²	1	54 Å²	54	1%	0.005	27%	0.269	C	S	.	.	S	Bend	trans	-87.7	-28.9	178.9	-151.1	32.1	0	0	0	113.3	L571 N572 D754 R759	L571-N750 PolarHBondContact N-O 2.77Å; L571-N750 PolarHBondContact N-OD1 3.37Å; N572-N750 PolarHBondContact N-OD1 2.81Å; N572-N750 PolarHBondContact O-ND2 3.45Å; N572-N750 PolarHBondContact O-OD1 3.32Å; N750-D754 HydrophobicContact CB-CB 4.01Å; N750-D754 PolarHBondContact N-O 3.33Å; N750-R759 VanDerWaalsContact CG-NH2 3.28Å; N750-R759 PolarHBondContact OD1-NH1 2.89Å; N750-R759 PolarHBondContact OD1-NH2 2.92Å
751	T	88.8	Confident	94.5	Very high	16 Å²	16	54.1 Å²	54.1	10%	0.098	27%	0.27	C	S	.	.	S	Bend	trans	-144.1	-173.4	174.3	68.5	0	0	0	0	109.1	L569 Y570 R749 H753 D754	L569-T751 HydrophobicContact CG-CG2 4.44Å; Y570-T751 HydrophobicContact CD1-CG2 3.38Å; Y570-T751 HydrophobicContact CE1-CG2 3.7Å; Y570-T751 HydrophobicContact CG-CG2 4.4Å; R749-T751 WeakPolarHBondContact CD-O 3.42Å; R749-T751 WeakPolarHBondContact CG-O 3.38Å; T751-H753 PolarHBondContact O-N 3.05Å; T751-H753 PolarHBondContact OG1-N 3.11Å; T751-D754 HydrophobicContact CG2-CB 4.43Å; T751-D754 WeakPolarHBondContact CG2-OD2 3.27Å; T751-D754 VanDerWaalsContact OG1-CB 3.29Å; T751-D754 WeakPolarHBondContact OG1-CB 3.49Å; T751-D754 PolarHBondContact OG1-N 2.93Å; T751-D754 PolarHBondContact OG1-OD2 3.32Å
752	E	85.5	Confident	94.6	Very high	83 Å²	83	48.8 Å²	48.8	39%	0.388	25%	0.247	S	C	.	.	S	Bend	trans	-62.2	-28.7	171.9	-173.7	162.7	-156.4	0	0	113.1
753	H	87.1	Confident	94.7	Very high	159 Å²	159	44.6 Å²	44.6	74%	0.736	22%	0.221	S	C	*	.	S	Bend	trans	-115.1	-6.8	-173.4	-54.2	-52.3	0	0	0	114.3	T751 P755	T751-H753 PolarHBondContact O-N 3.05Å; T751-H753 PolarHBondContact OG1-N 3.11Å; H753-P755 WeakPolarHBondContact O-CD 3.05Å
754	D	88.3	Confident	94.8	Very high	45 Å²	45	44 Å²	44	24%	0.241	22%	0.218	C	C	.	.			trans	-100.2	94.5	176.5	-66.8	-55.3	0	0	0	110.6	K574 R749 N750 T751	K574-D754 WeakPolarHBondContact CE-OD2 3.37Å; K574-D754 IonicContact NZ-OD1 3.19Å; K574-D754 PolarHBondContact NZ-OD1 2.74Å; K574-D754 IonicContact NZ-OD2 3.89Å; K574-D754 PolarHBondContact NZ-OD2 3.39Å; R749-D754 CarbonylContact C-O 3.57Å; R749-D754 WeakPolarHBondContact CA-O 3.26Å; R749-D754 WeakPolarHBondContact CB-O 3.03Å; N750-D754 HydrophobicContact CB-CB 4.01Å; N750-D754 PolarHBondContact N-O 3.33Å; T751-D754 HydrophobicContact CG2-CB 4.43Å; T751-D754 WeakPolarHBondContact CG2-OD2 3.27Å; T751-D754 VanDerWaalsContact OG1-CB 3.29Å; T751-D754 WeakPolarHBondContact OG1-CB 3.49Å; T751-D754 PolarHBondContact OG1-N 2.93Å; T751-D754 PolarHBondContact OG1-OD2 3.32Å
755	P	92.6	Very high	94.9	Very high	96 Å²	96	40.3 Å²	40.3	62%	0.623	19%	0.194	S	C	*	.			trans	-64.2	162.3	173	30.2	-36.1	0	0	0	111.4	H753 Y757	H753-P755 WeakPolarHBondContact O-CD 3.05Å; P755-Y757 PolarHBondContact O-N 3.13Å
756	P	94.4	Very high	95.1	Very high	32 Å²	32	39.4 Å²	39.4	21%	0.208	19%	0.189	C	C	.	.			trans	-60.8	136.7	174.9	27.6	-36.4	0	0	0	111.3	M747 R759	M747-P756 HydrophobicContact SD-CB 4.33Å; M747-P756 HydrophobicContact SD-CG 4.01Å; P756-R759 HydrophobicContact CB-CB 3.95Å
757	Y	96.1	Very high	95.1	Very high	61 Å²	61	37.1 Å²	37.1	24%	0.239	18%	0.18	C	C	.	.	S	Bend	trans	-123.9	-66	-177.6	-155.3	-156.4	0	0	0	111	D582 P755 R759 P761 W763 E815 Q816	D582-Y757 WeakPolarHBondContact OD1-CB 3.22Å; D582-Y757 PolarHBondContact OD2-N 3.08Å; P755-Y757 PolarHBondContact O-N 3.13Å; Y757-R759 VanDerWaalsContact C-N 3.31Å; Y757-R759 PolarHBondContact O-N 3.42Å; Y757-P761 WeakPolarHBondContact O-CD 3.29Å; Y757-P761 WeakPolarHBondContact O-CG 3.47Å; Y757-W763 HydrophobicContact CD1-CH2 4.33Å; Y757-W763 HydrophobicContact CD1-CZ2 4.4Å; Y757-W763 AromaticContact CD2-CH2 3.65Å; Y757-W763 HydrophobicContact CD2-CH2 3.65Å; Y757-W763 AromaticContact CD2-CZ2 3.46Å; Y757-W763 HydrophobicContact CD2-CZ2 3.46Å; Y757-W763 VanDerWaalsContact CD2-CZ2 3.46Å; Y757-W763 HydrophobicContact CE1-CH2 4.01Å; Y757-W763 AromaticContact CE2-CH2 3.25Å; Y757-W763 HydrophobicContact CE2-CH2 3.25Å; Y757-W763 AromaticContact CE2-CZ2 3.6Å; Y757-W763 HydrophobicContact CE2-CZ2 3.6Å; Y757-W763 HydrophobicContact CE2-CZ3 4.41Å; Y757-W763 HydrophobicContact CG-CH2 4.17Å; Y757-W763 AromaticContact CG-CZ2 3.89Å; Y757-W763 HydrophobicContact CG-CZ2 3.89Å; Y757-W763 AromaticContact CZ-CH2 3.47Å; Y757-W763 VanDerWaalsContact CZ-CH2 3.47Å; Y757-W763 PolarHBondContact O-NE1 3.19Å; Y757-E815 PolarHBondContact OH-OE1 3.26Å; Y757-E815 PolarHBondContact OH-OE2 2.79Å; Y757-Q816 PolarHBondContact O-OE1 3.36Å
758	W	98.3	Very high	95.2	Very high	3 Å²	3	34.4 Å²	34.4	1%	0.011	17%	0.166	C	C	.	.	S	Bend	trans	-95.9	32.7	173.6	-63.6	90	0	0	0	112.6	W440 G579 L580 D582 Y699 S738 W763 I766	W440-W758 AromaticContact CH2-CH2 3.96Å; W440-W758 HydrophobicContact CH2-CH2 3.96Å; W440-W758 AromaticContact CH2-CZ2 4Å; W440-W758 HydrophobicContact CH2-CZ2 4Å; W440-W758 HydrophobicContact CZ2-CZ2 4.25Å; G579-W758 WeakPolarHBondContact O-CZ2 3.48Å; G579-W758 PolarHBondContact O-NE1 3Å; L580-W758 HydrophobicContact CB-CD2 4.09Å; L580-W758 HydrophobicContact CB-CE3 4.41Å; L580-W758 HydrophobicContact CB-CG 4.12Å; L580-W758 HydrophobicContact CD2-CD2 4.4Å; L580-W758 HydrophobicContact CD2-CE3 3.89Å; L580-W758 HydrophobicContact CD2-CZ3 4.27Å; L580-W758 HydrophobicContact CG-CD2 4.04Å; L580-W758 HydrophobicContact CG-CE3 3.91Å; L580-W758 HydrophobicContact CG-CZ3 4.2Å; D582-W758 WeakPolarHBondContact OD1-CA 3.34Å; D582-W758 WeakPolarHBondContact OD1-CB 3.4Å; D582-W758 PolarHBondContact OD1-N 3.05Å; Y699-W758 AromaticContact CD2-CE3 3.86Å; Y699-W758 HydrophobicContact CD2-CE3 3.86Å; Y699-W758 AromaticContact CD2-CZ3 3.79Å; Y699-W758 HydrophobicContact CD2-CZ3 3.79Å; Y699-W758 HydrophobicContact CE2-CE3 4.01Å; Y699-W758 AromaticContact CE2-CZ3 3.76Å; Y699-W758 HydrophobicContact CE2-CZ3 3.76Å; S738-W758 VanDerWaalsContact OG-C 3.28Å; W758-W763 HydrophobicContact CD2-CD2 4.33Å; W758-W763 AromaticContact CD2-CE2 3.85Å; W758-W763 HydrophobicContact CD2-CZ2 4.03Å; W758-W763 AromaticContact CD2-NE1 3.96Å; W758-W763 AromaticContact CE2-CE2 3.8Å; W758-W763 AromaticContact CE2-CH2 3.86Å; W758-W763 AromaticContact CE2-CZ2 3.68Å; W758-W763 AromaticContact CE3-CD1 3.76Å; W758-W763 HydrophobicContact CE3-CD2 4.1Å; W758-W763 AromaticContact CE3-CE2 3.94Å; W758-W763 AromaticContact CE3-CG 3.96Å; W758-W763 HydrophobicContact CE3-CG 3.96Å; W758-W763 AromaticContact CE3-NE1 3.76Å; W758-W763 HydrophobicContact CG-CZ2 4.39Å; W758-W763 HydrophobicContact CH2-CB 3.95Å; W758-W763 AromaticContact CH2-CD2 3.42Å; W758-W763 HydrophobicContact CH2-CD2 3.42Å; W758-W763 VanDerWaalsContact CH2-CD2 3.42Å; W758-W763 AromaticContact CH2-CE2 3.95Å; W758-W763 AromaticContact CH2-CE3 3.54Å; W758-W763 HydrophobicContact CH2-CE3 3.54Å; W758-W763 AromaticContact CH2-CG 3.64Å; W758-W763 HydrophobicContact CH2-CG 3.64Å; W758-W763 HydrophobicContact CH2-CZ2 4.48Å; W758-W763 HydrophobicContact CH2-CZ3 4.11Å; W758-W763 AromaticContact CZ2-CD2 3.68Å; W758-W763 HydrophobicContact CZ2-CD2 3.68Å; W758-W763 AromaticContact CZ2-CE2 3.87Å; W758-W763 AromaticContact CZ2-CE3 3.58Å; W758-W763 HydrophobicContact CZ2-CE3 3.58Å; W758-W763 HydrophobicContact CZ2-CG 4.35Å; W758-W763 AromaticContact CZ2-CH2 3.81Å; W758-W763 HydrophobicContact CZ2-CH2 3.81Å; W758-W763 AromaticContact CZ2-CZ2 3.94Å; W758-W763 HydrophobicContact CZ2-CZ2 3.94Å; W758-W763 AromaticContact CZ2-CZ3 3.64Å; W758-W763 HydrophobicContact CZ2-CZ3 3.64Å; W758-W763 HydrophobicContact CZ3-CB 3.76Å; W758-W763 AromaticContact CZ3-CD1 3.68Å; W758-W763 AromaticContact CZ3-CD2 3.66Å; W758-W763 HydrophobicContact CZ3-CD2 3.66Å; W758-W763 AromaticContact CZ3-CE2 4Å; W758-W763 HydrophobicContact CZ3-CE3 4.26Å; W758-W763 AromaticContact CZ3-CG 3.42Å; W758-W763 HydrophobicContact CZ3-CG 3.42Å; W758-W763 VanDerWaalsContact CZ3-CG 3.42Å; W758-W763 AromaticContact NE1-CH2 3.95Å; W758-W763 AromaticContact NE1-CZ2 3.83Å; W758-I766 HydrophobicContact CZ3-CG1 4.15Å
759	R	98.3	Very high	95.4	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.146	C	C	.	.	S	Bend	trans	-121.5	33.7	-173.4	-67.3	-178.9	179.2	-179.9	3.6	114.1	D582 S738 L739 L745 Y746 M747 E748 N750 P756 Y757	D582-R759 PolarHBondContact O-NE 2.85Å; D582-R759 PolarHBondContact O-NH2 2.64Å; D582-R759 VanDerWaalsContact O-NH2 3.08Å; D582-R759 WeakPolarHBondContact OD2-CD 3.45Å; D582-R759 WeakPolarHBondContact OD2-CG 3.45Å; D582-R759 IonicContact OD2-NE 3.08Å; D582-R759 PolarHBondContact OD2-NE 2.83Å; S738-R759 PolarHBondContact OG-N 3.01Å; L739-R759 HydrophobicContact CD2-CB 4.12Å; L739-R759 HydrophobicContact CD2-CG 4.19Å; L745-R759 WeakPolarHBondContact O-CD 3.41Å; Y746-R759 WeakPolarHBondContact CA-O 3.13Å; M747-R759 PolarHBondContact N-O 3.27Å; E748-R759 VanDerWaalsContact O-CD 3.27Å; E748-R759 WeakPolarHBondContact O-CD 3.28Å; E748-R759 PolarHBondContact O-NH1 2.71Å; N750-R759 VanDerWaalsContact CG-NH2 3.28Å; N750-R759 PolarHBondContact OD1-NH1 2.89Å; N750-R759 PolarHBondContact OD1-NH2 2.92Å; P756-R759 HydrophobicContact CB-CB 3.95Å; Y757-R759 VanDerWaalsContact C-N 3.31Å; Y757-R759 PolarHBondContact O-N 3.42Å
760	G	98.1	Very high	95.6	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.123	C	C	.	.	S	Bend	trans	148	-50.4	-178.4	0	0	0	0	0	113.9	R737 S738	R737-G760 WeakPolarHBondContact CA-O 3.19Å; R737-G760 VanDerWaalsContact CB-O 3.3Å; R737-G760 WeakPolarHBondContact CB-O 3.37Å; S738-G760 PolarHBondContact N-O 2.81Å; S738-G760 VanDerWaalsContact OG-C 3.26Å; S738-G760 PolarHBondContact OG-N 3.34Å
761	P	98.6	Very high	96	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.013	12%	0.123	C	C	.	.			trans	-52	154.1	-179.7	-28.6	36	0	0	0	114	S738 M747 Y757 W763 Q816 Y817	S738-P761 VanDerWaalsContact CB-O 3.26Å; S738-P761 WeakPolarHBondContact CB-O 3.29Å; S738-P761 PolarHBondContact N-O 3Å; S738-P761 PolarHBondContact OG-O 2.86Å; M747-P761 HydrophobicContact CE-CG 4.15Å; Y757-P761 WeakPolarHBondContact O-CD 3.29Å; Y757-P761 WeakPolarHBondContact O-CG 3.47Å; P761-W763 VanDerWaalsContact O-CD1 3.27Å; P761-Q816 HydrophobicContact CB-CB 4.24Å; P761-Q816 HydrophobicContact CB-CG 4.38Å; P761-Y817 WeakPolarHBondContact CA-O 3.37Å
762	V	98.9	Very high	96.4	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	126	-179.1	178.2	0	0	0	0	109.8	Q816 Y817 D819	V762-Q816 CarbonylContact O-C 3.6Å; V762-Q816 WeakPolarHBondContact O-CA 3.43Å; V762-Y817 PolarHBondContact N-O 2.78Å; V762-Y817 PolarHBondContact O-N 3.31Å; V762-D819 HydrophobicContact CG2-CB 4.23Å
763	W	98.9	Very high	97.1	Very high	1 Å²	1	19.9 Å²	19.9	0%	0.004	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	133.5	-179.3	-61.7	75.2	0	0	0	111.9	Y699 Y757 W758 P761 N765 N767 E815 Q816 W833	Y699-W763 HydrophobicContact CE2-CB 3.99Å; Y699-W763 AromaticContact CE2-CD1 3.95Å; Y699-W763 HydrophobicContact CE2-CG 4.27Å; Y699-W763 PolarHBondContact OH-N 3.5Å; Y757-W763 HydrophobicContact CD1-CH2 4.33Å; Y757-W763 HydrophobicContact CD1-CZ2 4.4Å; Y757-W763 AromaticContact CD2-CH2 3.65Å; Y757-W763 HydrophobicContact CD2-CH2 3.65Å; Y757-W763 AromaticContact CD2-CZ2 3.46Å; Y757-W763 HydrophobicContact CD2-CZ2 3.46Å; Y757-W763 VanDerWaalsContact CD2-CZ2 3.46Å; Y757-W763 HydrophobicContact CE1-CH2 4.01Å; Y757-W763 AromaticContact CE2-CH2 3.25Å; Y757-W763 HydrophobicContact CE2-CH2 3.25Å; Y757-W763 AromaticContact CE2-CZ2 3.6Å; Y757-W763 HydrophobicContact CE2-CZ2 3.6Å; Y757-W763 HydrophobicContact CE2-CZ3 4.41Å; Y757-W763 HydrophobicContact CG-CH2 4.17Å; Y757-W763 AromaticContact CG-CZ2 3.89Å; Y757-W763 HydrophobicContact CG-CZ2 3.89Å; Y757-W763 AromaticContact CZ-CH2 3.47Å; Y757-W763 VanDerWaalsContact CZ-CH2 3.47Å; Y757-W763 PolarHBondContact O-NE1 3.19Å; W758-W763 HydrophobicContact CD2-CD2 4.33Å; W758-W763 AromaticContact CD2-CE2 3.85Å; W758-W763 HydrophobicContact CD2-CZ2 4.03Å; W758-W763 AromaticContact CD2-NE1 3.96Å; W758-W763 AromaticContact CE2-CE2 3.8Å; W758-W763 AromaticContact CE2-CH2 3.86Å; W758-W763 AromaticContact CE2-CZ2 3.68Å; W758-W763 AromaticContact CE3-CD1 3.76Å; W758-W763 HydrophobicContact CE3-CD2 4.1Å; W758-W763 AromaticContact CE3-CE2 3.94Å; W758-W763 AromaticContact CE3-CG 3.96Å; W758-W763 HydrophobicContact CE3-CG 3.96Å; W758-W763 AromaticContact CE3-NE1 3.76Å; W758-W763 HydrophobicContact CG-CZ2 4.39Å; W758-W763 HydrophobicContact CH2-CB 3.95Å; W758-W763 AromaticContact CH2-CD2 3.42Å; W758-W763 HydrophobicContact CH2-CD2 3.42Å; W758-W763 VanDerWaalsContact CH2-CD2 3.42Å; W758-W763 AromaticContact CH2-CE2 3.95Å; W758-W763 AromaticContact CH2-CE3 3.54Å; W758-W763 HydrophobicContact CH2-CE3 3.54Å; W758-W763 AromaticContact CH2-CG 3.64Å; W758-W763 HydrophobicContact CH2-CG 3.64Å; W758-W763 HydrophobicContact CH2-CZ2 4.48Å; W758-W763 HydrophobicContact CH2-CZ3 4.11Å; W758-W763 AromaticContact CZ2-CD2 3.68Å; W758-W763 HydrophobicContact CZ2-CD2 3.68Å; W758-W763 AromaticContact CZ2-CE2 3.87Å; W758-W763 AromaticContact CZ2-CE3 3.58Å; W758-W763 HydrophobicContact CZ2-CE3 3.58Å; W758-W763 HydrophobicContact CZ2-CG 4.35Å; W758-W763 AromaticContact CZ2-CH2 3.81Å; W758-W763 HydrophobicContact CZ2-CH2 3.81Å; W758-W763 AromaticContact CZ2-CZ2 3.94Å; W758-W763 HydrophobicContact CZ2-CZ2 3.94Å; W758-W763 AromaticContact CZ2-CZ3 3.64Å; W758-W763 HydrophobicContact CZ2-CZ3 3.64Å; W758-W763 HydrophobicContact CZ3-CB 3.76Å; W758-W763 AromaticContact CZ3-CD1 3.68Å; W758-W763 AromaticContact CZ3-CD2 3.66Å; W758-W763 HydrophobicContact CZ3-CD2 3.66Å; W758-W763 AromaticContact CZ3-CE2 4Å; W758-W763 HydrophobicContact CZ3-CE3 4.26Å; W758-W763 AromaticContact CZ3-CG 3.42Å; W758-W763 HydrophobicContact CZ3-CG 3.42Å; W758-W763 VanDerWaalsContact CZ3-CG 3.42Å; W758-W763 AromaticContact NE1-CH2 3.95Å; W758-W763 AromaticContact NE1-CZ2 3.83Å; P761-W763 VanDerWaalsContact O-CD1 3.27Å; W763-N765 WeakPolarHBondContact CB-OD1 3.39Å; W763-N767 WeakPolarHBondContact O-CB 3.27Å; W763-N767 PolarHBondContact O-N 3.17Å; W763-N767 VanDerWaalsContact O-N 3.16Å; W763-N767 PolarHBondContact O-ND2 2.99Å; W763-E815 HydrophobicContact CE3-CG 4.29Å; W763-E815 HydrophobicContact CH2-CG 4Å; W763-E815 HydrophobicContact CZ3-CG 3.52Å; W763-Q816 HydrophobicContact CD2-CB 3.83Å; W763-Q816 HydrophobicContact CE3-CB 4.16Å; W763-Q816 HydrophobicContact CG-CB 4.29Å; W763-Q816 HydrophobicContact CH2-CB 4.46Å; W763-Q816 HydrophobicContact CZ2-CB 4.12Å; W763-Q816 HydrophobicContact CZ2-CG 4.3Å; W763-Q816 HydrophobicContact CZ3-CB 4.47Å; W763-W833 AromaticContact CE3-CE2 3.92Å; W763-W833 HydrophobicContact CE3-CH2 4.06Å; W763-W833 AromaticContact CE3-CZ2 3.29Å; W763-W833 HydrophobicContact CE3-CZ2 3.29Å; W763-W833 AromaticContact CZ3-CH2 3.82Å; W763-W833 HydrophobicContact CZ3-CH2 3.82Å; W763-W833 AromaticContact CZ3-CZ2 3.3Å; W763-W833 HydrophobicContact CZ3-CZ2 3.3Å
764	I	98.9	Very high	97.6	Very high	1 Å²	1	12.3 Å²	12.3	1%	0.005	7%	0.067	C	C	.	.	H	α-helix	trans	-75.8	-32.4	-168.4	-56.7	-58.2	0	0	0	113.2	N767 Y768 I799 V803 Y817 L836 M840	I764-N767 PolarHBondContact O-N 3.13Å; I764-Y768 VanDerWaalsContact O-CB 3.24Å; I764-Y768 WeakPolarHBondContact O-CB 3.31Å; I764-Y768 PolarHBondContact O-N 3.13Å; I764-I799 HydrophobicContact CD1-CG2 3.67Å; I764-V803 HydrophobicContact CD1-CG2 3.62Å; I764-V803 HydrophobicContact CG1-CG2 4.27Å; I764-Y817 HydrophobicContact CD1-CD2 4.09Å; I764-Y817 HydrophobicContact CD1-CE2 3.9Å; I764-Y817 HydrophobicContact CG1-CD2 4.27Å; I764-Y817 HydrophobicContact CG1-CE2 3.77Å; I764-L836 HydrophobicContact CG2-CB 4.41Å; I764-M840 HydrophobicContact CG2-CE 3.89Å
765	N	98.8	Very high	98.1	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-56.1	-51.7	174.1	49.8	-4.8	0	0	0	113	W440 F444 W763 Y768 L769 W833	W440-N765 WeakPolarHBondContact CH2-ND2 3.32Å; W440-N765 VanDerWaalsContact CZ3-ND2 3.34Å; W440-N765 WeakPolarHBondContact CZ3-ND2 3.46Å; F444-N765 HydrophobicContact CD1-CB 4.13Å; F444-N765 HydrophobicContact CD2-CB 4.05Å; F444-N765 HydrophobicContact CE1-CB 3.97Å; F444-N765 HydrophobicContact CE2-CB 3.89Å; F444-N765 HydrophobicContact CG-CB 4.16Å; F444-N765 HydrophobicContact CZ-CB 3.86Å; W763-N765 WeakPolarHBondContact CB-OD1 3.39Å; N765-Y768 WeakPolarHBondContact O-CB 3.48Å; N765-Y768 PolarHBondContact O-N 3.36Å; N765-L769 PolarHBondContact O-N 3.34Å; N765-W833 HydrophobicContact CB-CB 3.72Å; N765-W833 HydrophobicContact CB-CD2 3.76Å; N765-W833 HydrophobicContact CB-CE3 4.08Å; N765-W833 HydrophobicContact CB-CG 3.58Å
766	I	98.9	Very high	98.4	Very high	2 Å²	2	13 Å²	13	1%	0.01	6%	0.057	C	C	.	.	H	α-helix	trans	-73	-37.3	-179.2	-55.9	-55.4	0	0	0	110.9	Y699 F703 L706 W758 Y768 L769 A770	Y699-I766 HydrophobicContact CD1-CB 4.32Å; Y699-I766 HydrophobicContact CD1-CG2 3.6Å; Y699-I766 HydrophobicContact CD2-CB 3.79Å; Y699-I766 HydrophobicContact CD2-CG1 3.65Å; Y699-I766 HydrophobicContact CD2-CG2 3.8Å; Y699-I766 HydrophobicContact CE1-CB 4.34Å; Y699-I766 HydrophobicContact CE1-CG2 3.97Å; Y699-I766 HydrophobicContact CE2-CB 3.8Å; Y699-I766 HydrophobicContact CE2-CG1 3.94Å; Y699-I766 HydrophobicContact CE2-CG2 4.14Å; Y699-I766 HydrophobicContact CG-CB 4.07Å; Y699-I766 HydrophobicContact CG-CG1 4.2Å; Y699-I766 HydrophobicContact CG-CG2 3.52Å; F703-I766 HydrophobicContact CZ-CD1 4.38Å; L706-I766 HydrophobicContact CD1-CG2 3.65Å; L706-I766 HydrophobicContact CD2-CG2 4.29Å; W758-I766 HydrophobicContact CZ3-CG1 4.15Å; I766-Y768 VanDerWaalsContact C-N 3.31Å; I766-Y768 PolarHBondContact O-N 2.81Å; I766-L769 HydrophobicContact CD1-CD1 4.38Å; I766-L769 PolarHBondContact O-N 2.95Å; I766-A770 PolarHBondContact O-N 3.38Å
767	N	98.9	Very high	98.6	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-63.3	-36	173.5	-87.5	-88.8	0	0	0	112.6	Y699 L736 W763 I764 A770 V771 I799	Y699-N767 PolarHBondContact OH-ND2 3.16Å; Y699-N767 VanDerWaalsContact OH-ND2 3.09Å; L736-N767 WeakPolarHBondContact CB-OD1 3.25Å; L736-N767 PolarHBondContact N-OD1 2.94Å; L736-N767 PolarHBondContact O-ND2 3.03Å; W763-N767 WeakPolarHBondContact O-CB 3.27Å; W763-N767 PolarHBondContact O-N 3.17Å; W763-N767 VanDerWaalsContact O-N 3.16Å; W763-N767 PolarHBondContact O-ND2 2.99Å; I764-N767 PolarHBondContact O-N 3.13Å; N767-A770 PolarHBondContact O-N 2.96Å; N767-V771 WeakPolarHBondContact O-CG2 3.36Å; N767-V771 PolarHBondContact O-N 3.01Å; N767-I799 HydrophobicContact CB-CD1 3.71Å; N767-I799 HydrophobicContact CB-CG1 4.45Å
768	Y	98.9	Very high	98.7	Very high	1 Å²	1	9.1 Å²	9.1	0%	0.004	4%	0.04	C	C	.	.	H	α-helix	trans	-60.1	-47.4	171.7	168.8	-92.5	0	0	0	110.9	L447 I764 N765 I766 A770 V771 R772 L836 L839 M840 Y845	L447-Y768 HydrophobicContact CD1-CD1 4.32Å; L447-Y768 HydrophobicContact CD1-CE1 3.61Å; I764-Y768 VanDerWaalsContact O-CB 3.24Å; I764-Y768 WeakPolarHBondContact O-CB 3.31Å; I764-Y768 PolarHBondContact O-N 3.13Å; N765-Y768 WeakPolarHBondContact O-CB 3.48Å; N765-Y768 PolarHBondContact O-N 3.36Å; I766-Y768 VanDerWaalsContact C-N 3.31Å; I766-Y768 PolarHBondContact O-N 2.81Å; Y768-A770 VanDerWaalsContact C-N 3.28Å; Y768-A770 PolarHBondContact O-N 3.48Å; Y768-V771 PolarHBondContact O-N 2.85Å; Y768-R772 WeakPolarHBondContact O-CB 3.35Å; Y768-R772 PolarHBondContact O-N 3.39Å; Y768-L836 HydrophobicContact CD1-CD1 3.99Å; Y768-L836 HydrophobicContact CD2-CB 3.86Å; Y768-L836 HydrophobicContact CD2-CD1 4.35Å; Y768-L836 HydrophobicContact CD2-CD2 4.41Å; Y768-L836 HydrophobicContact CD2-CG 4.45Å; Y768-L836 HydrophobicContact CE2-CD2 4.4Å; Y768-L836 HydrophobicContact CG-CB 4.07Å; Y768-L836 HydrophobicContact CG-CD1 3.82Å; Y768-L836 HydrophobicContact CG-CG 4.4Å; Y768-L839 HydrophobicContact CD2-CB 4.48Å; Y768-L839 HydrophobicContact CE2-CB 3.78Å; Y768-L839 HydrophobicContact CE2-CD1 3.93Å; Y768-M840 HydrophobicContact CD2-CG 4.02Å; Y768-Y845 HydrophobicContact CE2-CD1 4.11Å; Y768-Y845 PolarHBondContact OH-OXT 3.09Å; Y768-Y845 VanDerWaalsContact OH-OXT 3.13Å
769	L	98.9	Very high	98.7	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-61.4	-37.7	175.9	-64.2	178.3	0	0	0	111.9	F444 L507 W601 L706 L707 N765 I766 A773	F444-L769 HydrophobicContact CE1-CD1 4.12Å; F444-L769 HydrophobicContact CE1-CD2 4.23Å; F444-L769 HydrophobicContact CE1-CG 4.09Å; F444-L769 HydrophobicContact CZ-CD1 4.08Å; L507-L769 HydrophobicContact CD1-CD2 4.41Å; W601-L769 HydrophobicContact CH2-CD1 4.46Å; L706-L769 HydrophobicContact CB-CB 4.16Å; L706-L769 HydrophobicContact CD2-CB 4.16Å; L707-L769 HydrophobicContact CD2-CD1 4.16Å; N765-L769 PolarHBondContact O-N 3.34Å; I766-L769 HydrophobicContact CD1-CD1 4.38Å; I766-L769 PolarHBondContact O-N 2.95Å; L769-A773 VanDerWaalsContact O-CB 3.31Å; L769-A773 WeakPolarHBondContact O-CB 3.44Å; L769-A773 PolarHBondContact O-N 3.03Å
770	A	98.9	Very high	98.7	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-65.9	-45.8	175.9	0	0	0	0	0	112	L706 L736 I766 N767 Y768 A773 L774 L795	L706-A770 HydrophobicContact CD2-CB 3.61Å; L736-A770 HydrophobicContact CD1-CB 3.66Å; I766-A770 PolarHBondContact O-N 3.38Å; N767-A770 PolarHBondContact O-N 2.96Å; Y768-A770 VanDerWaalsContact C-N 3.28Å; Y768-A770 PolarHBondContact O-N 3.48Å; A770-A773 PolarHBondContact O-N 3.02Å; A770-L774 WeakPolarHBondContact O-CB 3.21Å; A770-L774 VanDerWaalsContact O-CG 3.28Å; A770-L774 WeakPolarHBondContact O-CG 3.47Å; A770-L774 PolarHBondContact O-N 3.09Å; A770-L795 HydrophobicContact CB-CD2 4.13Å
771	V	98.9	Very high	98.7	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-62.1	-44	176.2	170.4	0	0	0	0	110.6	N767 Y768 A773 L774 Y775 Y792 L795 R796 I799 M840 Y845	N767-V771 WeakPolarHBondContact O-CG2 3.36Å; N767-V771 PolarHBondContact O-N 3.01Å; Y768-V771 PolarHBondContact O-N 2.85Å; V771-A773 PolarHBondContact O-N 2.94Å; V771-L774 PolarHBondContact O-N 3.39Å; V771-Y775 WeakPolarHBondContact O-CB 3.26Å; V771-Y775 PolarHBondContact O-N 3.41Å; V771-Y792 HydrophobicContact CG1-CD2 3.87Å; V771-Y792 HydrophobicContact CG1-CE2 3.56Å; V771-Y792 WeakPolarHBondContact O-CD2 3.41Å; V771-L795 HydrophobicContact CG2-CB 4.46Å; V771-L795 HydrophobicContact CG2-CD2 3.93Å; V771-L795 HydrophobicContact CG2-CG 3.92Å; V771-R796 HydrophobicContact CG1-CB 4.17Å; V771-R796 HydrophobicContact CG2-CB 4.49Å; V771-I799 HydrophobicContact CG2-CD1 3.77Å; V771-M840 HydrophobicContact CB-SD 4.09Å; V771-M840 HydrophobicContact CG1-CG 4.2Å; V771-M840 HydrophobicContact CG1-SD 4.25Å; V771-M840 HydrophobicContact CG2-SD 3.86Å; V771-Y845 HydrophobicContact CG1-CE1 3.6Å; V771-Y845 WeakPolarHBondContact CG1-OH 3.14Å
772	R	98.8	Very high	98.6	Very high	14 Å²	14	25.3 Å²	25.3	5%	0.053	13%	0.129	C	C	.	.	H	α-helix	trans	-59.2	-44.5	173.3	168.3	174.3	86.5	157.4	13.4	112.3	Y768 Y775 H776 Y845	Y768-R772 WeakPolarHBondContact O-CB 3.35Å; Y768-R772 PolarHBondContact O-N 3.39Å; R772-Y775 PolarHBondContact O-N 3.03Å; R772-H776 PolarHBondContact O-N 3.25Å; R772-Y845 HydrophobicContact CB-CD1 3.88Å; R772-Y845 HydrophobicContact CB-CG 4.18Å; R772-Y845 WeakPolarHBondContact CD-OXT 3.32Å; R772-Y845 HydrophobicContact CG-CG 4.48Å
773	A	98.9	Very high	98.6	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-66.2	-45.2	178	0	0	0	0	0	111.6	F705 Q708 L769 A770 V771 Y775 H776 Y777	F705-A773 HydrophobicContact CD1-CB 4.08Å; F705-A773 HydrophobicContact CD2-CB 4.34Å; F705-A773 HydrophobicContact CE1-CB 3.59Å; F705-A773 HydrophobicContact CE2-CB 3.91Å; F705-A773 HydrophobicContact CG-CB 4.41Å; F705-A773 HydrophobicContact CZ-CB 3.49Å; F705-A773 VanDerWaalsContact CZ-CB 3.49Å; F705-A773 VanDerWaalsContact O-CB 3.28Å; F705-A773 WeakPolarHBondContact O-CB 3.22Å; Q708-A773 HydrophobicContact CG-CB 4.42Å; L769-A773 VanDerWaalsContact O-CB 3.31Å; L769-A773 WeakPolarHBondContact O-CB 3.44Å; L769-A773 PolarHBondContact O-N 3.03Å; A770-A773 PolarHBondContact O-N 3.02Å; V771-A773 PolarHBondContact O-N 2.94Å; A773-Y775 VanDerWaalsContact C-N 3.29Å; A773-Y775 PolarHBondContact O-N 3.26Å; A773-H776 WeakPolarHBondContact O-CB 3.39Å; A773-H776 PolarHBondContact O-N 2.68Å; A773-H776 VanDerWaalsContact O-N 3.13Å; A773-Y777 HydrophobicContact CB-CE2 4.43Å; A773-Y777 WeakPolarHBondContact O-CD2 3.38Å; A773-Y777 PolarHBondContact O-N 3.44Å
774	L	98.9	Very high	98.5	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-59.9	-40.3	175.3	-69.8	170.7	0	0	0	111.6	F705 L721 M724 A770 V771 G778 A788 L791 Y792 L795	F705-L774 HydrophobicContact CE1-CG 4.44Å; F705-L774 HydrophobicContact CE2-CD2 4.3Å; F705-L774 HydrophobicContact CZ-CD2 3.64Å; F705-L774 HydrophobicContact CZ-CG 3.74Å; L721-L774 HydrophobicContact CD2-CD2 3.58Å; M724-L774 HydrophobicContact CE-CD1 4.05Å; M724-L774 HydrophobicContact CE-CD2 4.1Å; M724-L774 HydrophobicContact CE-CG 4.23Å; A770-L774 WeakPolarHBondContact O-CB 3.21Å; A770-L774 VanDerWaalsContact O-CG 3.28Å; A770-L774 WeakPolarHBondContact O-CG 3.47Å; A770-L774 PolarHBondContact O-N 3.09Å; V771-L774 PolarHBondContact O-N 3.39Å; L774-G778 WeakPolarHBondContact O-CA 3.32Å; L774-G778 PolarHBondContact O-N 3.4Å; L774-A788 HydrophobicContact CD2-CB 4.44Å; L774-L791 HydrophobicContact CD1-CB 4.01Å; L774-L791 HydrophobicContact CD2-CB 3.82Å; L774-L791 HydrophobicContact CD2-CD1 4.37Å; L774-Y792 HydrophobicContact CB-CD2 4.37Å; L774-L795 HydrophobicContact CD1-CB 4.24Å; L774-L795 HydrophobicContact CD1-CD2 3.75Å
775	Y	98.8	Very high	98.5	Very high	90 Å²	90	34.9 Å²	34.9	35%	0.353	18%	0.181	S	C	.	.	H	α-helix	trans	-61.2	-45.4	173.4	-174.4	-98.2	0	0	0	111.6	V771 R772 A773 G778 N779 Y792 Y845	V771-Y775 WeakPolarHBondContact O-CB 3.26Å; V771-Y775 PolarHBondContact O-N 3.41Å; R772-Y775 PolarHBondContact O-N 3.03Å; A773-Y775 VanDerWaalsContact C-N 3.29Å; A773-Y775 PolarHBondContact O-N 3.26Å; Y775-G778 PolarHBondContact O-N 3.48Å; Y775-N779 WeakPolarHBondContact CE2-ND2 3.39Å; Y775-N779 PolarHBondContact O-N 3.32Å; Y775-N779 PolarHBondContact O-ND2 3.41Å; Y775-Y792 HydrophobicContact CD2-CD1 4.39Å; Y775-Y792 HydrophobicContact CD2-CD2 4.33Å; Y775-Y792 AromaticContact CD2-CE1 3.86Å; Y775-Y792 HydrophobicContact CD2-CE1 3.86Å; Y775-Y792 AromaticContact CD2-CE2 3.78Å; Y775-Y792 HydrophobicContact CD2-CE2 3.78Å; Y775-Y792 AromaticContact CD2-CZ 3.52Å; Y775-Y792 HydrophobicContact CE2-CE1 4.48Å; Y775-Y792 HydrophobicContact CG-CE2 4.19Å; Y775-Y845 AromaticContact CD1-CD2 3.61Å; Y775-Y845 HydrophobicContact CD1-CD2 3.61Å; Y775-Y845 HydrophobicContact CD1-CE2 4.19Å; Y775-Y845 HydrophobicContact CD2-CD2 4.08Å; Y775-Y845 AromaticContact CD2-CE2 3.8Å; Y775-Y845 HydrophobicContact CD2-CE2 3.8Å; Y775-Y845 HydrophobicContact CE1-CD2 4.13Å; Y775-Y845 HydrophobicContact CE2-CE2 4.33Å; Y775-Y845 AromaticContact CG-CD2 3.57Å; Y775-Y845 HydrophobicContact CG-CD2 3.57Å; Y775-Y845 AromaticContact CG-CE2 3.7Å; Y775-Y845 HydrophobicContact CG-CE2 3.7Å
776	H	98.6	Very high	98.5	Very high	65 Å²	65	42.1 Å²	42.1	30%	0.301	21%	0.214	S	C	.	.	H	α-helix	trans	-59.3	-55.9	176.5	171.5	78.9	0	0	0	111.9	Q708 R772 A773 G778 N779 T780	Q708-H776 HydrophobicContact CG-CB 4.27Å; R772-H776 PolarHBondContact O-N 3.25Å; A773-H776 WeakPolarHBondContact O-CB 3.39Å; A773-H776 PolarHBondContact O-N 2.68Å; A773-H776 VanDerWaalsContact O-N 3.13Å; H776-G778 VanDerWaalsContact C-N 3.3Å; H776-G778 PolarHBondContact O-N 3.31Å; H776-N779 CarbonylContact O-C 3.59Å; H776-N779 PolarHBondContact O-N 3.04Å; H776-N779 VanDerWaalsContact O-N 3.1Å; H776-T780 WeakPolarHBondContact O-CB 3.41Å; H776-T780 PolarHBondContact O-N 3.48Å; H776-T780 PolarHBondContact O-OG1 2.86Å
777	Y	98.7	Very high	98.4	Very high	5 Å²	5	45.4 Å²	45.4	2%	0.02	23%	0.229	C	C	.	.	H	α-helix	trans	-69.3	-26.5	-178.6	-66.5	-73.6	0	0	0	113	F705 L710 L717 A773 N779 T780	F705-Y777 AromaticContact CD2-CD2 3.81Å; F705-Y777 HydrophobicContact CD2-CD2 3.81Å; F705-Y777 AromaticContact CD2-CE2 3.54Å; F705-Y777 HydrophobicContact CD2-CE2 3.54Å; F705-Y777 AromaticContact CE2-CD2 3.45Å; F705-Y777 HydrophobicContact CE2-CD2 3.45Å; F705-Y777 VanDerWaalsContact CE2-CD2 3.45Å; F705-Y777 AromaticContact CE2-CE2 3.68Å; F705-Y777 HydrophobicContact CE2-CE2 3.68Å; F705-Y777 HydrophobicContact CZ-CD2 4.46Å; L710-Y777 PolarHBondContact N-OH 3.47Å; L710-Y777 WeakPolarHBondContact O-CE1 3.31Å; L710-Y777 PolarHBondContact O-OH 3Å; L717-Y777 HydrophobicContact CD2-CD1 3.72Å; L717-Y777 HydrophobicContact CD2-CE1 3.99Å; L717-Y777 HydrophobicContact CD2-CG 4.1Å; A773-Y777 HydrophobicContact CB-CE2 4.43Å; A773-Y777 WeakPolarHBondContact O-CD2 3.38Å; A773-Y777 PolarHBondContact O-N 3.44Å; Y777-N779 PolarHBondContact O-N 2.65Å; Y777-T780 PolarHBondContact O-N 3.14Å
778	G	98.4	Very high	98.4	Very high	7 Å²	7	45.4 Å²	45.4	7%	0.072	23%	0.229	C	C	.	.	H	α-helix	trans	-70.8	-19	172.8	0	0	0	0	0	114	L774 Y775 H776 Q785	L774-G778 WeakPolarHBondContact O-CA 3.32Å; L774-G778 PolarHBondContact O-N 3.4Å; Y775-G778 PolarHBondContact O-N 3.48Å; H776-G778 VanDerWaalsContact C-N 3.3Å; H776-G778 PolarHBondContact O-N 3.31Å; G778-Q785 WeakPolarHBondContact CA-O 3.3Å; G778-Q785 WeakPolarHBondContact O-CG 3.47Å; G778-Q785 PolarHBondContact O-NE2 3.16Å
779	N	98.1	Very high	98.4	Very high	103 Å²	103	46.6 Å²	46.6	55%	0.551	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.2	6.7	176.9	-68.5	-69	0	0	0	113.2	Y775 H776 Y777	Y775-N779 WeakPolarHBondContact CE2-ND2 3.39Å; Y775-N779 PolarHBondContact O-N 3.32Å; Y775-N779 PolarHBondContact O-ND2 3.41Å; H776-N779 CarbonylContact O-C 3.59Å; H776-N779 PolarHBondContact O-N 3.04Å; H776-N779 VanDerWaalsContact O-N 3.1Å; Y777-N779 PolarHBondContact O-N 2.65Å
780	T	97.6	Very high	98.4	Very high	39 Å²	39	50.1 Å²	50.1	24%	0.239	26%	0.257	C	S	.	.	S	Bend	trans	-110.2	134.9	177.5	-54.3	0	0	0	0	109.3	P712 H776 Y777 G782 Q785	P712-T780 HydrophobicContact CB-CG2 4.14Å; P712-T780 HydrophobicContact CG-CG2 3.53Å; H776-T780 WeakPolarHBondContact O-CB 3.41Å; H776-T780 PolarHBondContact O-N 3.48Å; H776-T780 PolarHBondContact O-OG1 2.86Å; Y777-T780 PolarHBondContact O-N 3.14Å; T780-G782 PolarHBondContact O-N 3.1Å; T780-Q785 WeakPolarHBondContact O-CG 3.41Å
781	E	97.7	Very high	98.4	Very high	177 Å²	177	50.4 Å²	50.4	83%	0.827	26%	0.259	S	S	*	.			trans	-59.6	130.1	177.2	-172	178	178.7	0	0	110.5	P712	P712-E781 WeakPolarHBondContact CB-O 3.27Å
782	G	97.3	Very high	98.3	Very high	26 Å²	26	51.3 Å²	51.3	27%	0.268	26%	0.262	S	S	.	.	S	Bend	trans	168.3	166.1	178.7	0	0	0	0	0	112.7	T780 Y784 Q785	T780-G782 PolarHBondContact O-N 3.1Å; G782-Y784 PolarHBondContact O-N 2.72Å; G782-Q785 WeakPolarHBondContact O-CB 3.28Å; G782-Q785 PolarHBondContact O-N 2.87Å
783	P	98.3	Very high	98.3	Very high	91 Å²	91	56.4 Å²	56.4	59%	0.591	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-14.7	-175.2	25.7	-34.8	0	0	0	114.3	D713	D713-P783 HydrophobicContact CB-CG 4.37Å
784	Y	98.1	Very high	98.3	Very high	34 Å²	34	60.2 Å²	60.2	13%	0.133	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.1	8.7	-175.9	-50.6	-58.1	0	0	0	113.9	P712 S714 L717 E718 G782 E786 K787 A788	P712-Y784 WeakPolarHBondContact O-CD2 3.03Å; S714-Y784 VanDerWaalsContact O-CE2 3.3Å; S714-Y784 WeakPolarHBondContact O-CE2 3.31Å; L717-Y784 HydrophobicContact CB-CD2 4.01Å; L717-Y784 HydrophobicContact CB-CE2 4.36Å; L717-Y784 HydrophobicContact CD2-CD2 4.01Å; L717-Y784 HydrophobicContact CG-CD2 4.11Å; E718-Y784 HydrophobicContact CB-CD1 4.07Å; E718-Y784 HydrophobicContact CB-CE1 3.45Å; E718-Y784 VanDerWaalsContact CB-CE1 3.45Å; E718-Y784 HydrophobicContact CB-CE2 4.27Å; E718-Y784 HydrophobicContact CG-CD1 4.06Å; E718-Y784 HydrophobicContact CG-CE1 3.51Å; E718-Y784 PolarHBondContact OE2-OH 2.75Å; G782-Y784 PolarHBondContact O-N 2.72Å; Y784-E786 PolarHBondContact O-N 2.8Å; Y784-K787 PolarHBondContact O-N 2.6Å; Y784-A788 PolarHBondContact O-N 3.42Å
785	Q	98.3	Very high	98.3	Very high	79 Å²	79	60.2 Å²	60.2	37%	0.369	30%	0.302	S	S	.	.	H	α-helix	trans	-56.4	-54.1	-174.8	-176.1	-175.8	-8.2	0	0	112.5	G778 T780 G782 K787 A788 A789	G778-Q785 WeakPolarHBondContact CA-O 3.3Å; G778-Q785 WeakPolarHBondContact O-CG 3.47Å; G778-Q785 PolarHBondContact O-NE2 3.16Å; T780-Q785 WeakPolarHBondContact O-CG 3.41Å; G782-Q785 WeakPolarHBondContact O-CB 3.28Å; G782-Q785 PolarHBondContact O-N 2.87Å; Q785-K787 PolarHBondContact O-N 3.25Å; Q785-A788 PolarHBondContact O-N 3.09Å; Q785-A789 PolarHBondContact O-N 3.07Å
786	E	98.2	Very high	98.3	Very high	152 Å²	152	57.5 Å²	57.5	71%	0.71	29%	0.292	S	S	*	.	H	α-helix	trans	-59.8	-45.8	-178.9	-173.9	177.4	-164.8	0	0	111.6	Y784 A788 A789 D790	Y784-E786 PolarHBondContact O-N 2.8Å; E786-A788 VanDerWaalsContact C-N 3.31Å; E786-A788 PolarHBondContact O-N 3.15Å; E786-A789 PolarHBondContact O-N 3.15Å; E786-A789 VanDerWaalsContact O-N 3.13Å; E786-D790 PolarHBondContact O-N 3.39Å
787	K	98.1	Very high	98.3	Very high	71 Å²	71	57.2 Å²	57.2	31%	0.309	30%	0.295	S	S	.	.	H	α-helix	trans	-59.9	-40.1	177.4	-171.4	178.5	-176.9	-177.6	0	112.2	E718 L721 Y784 Q785 L791	E718-K787 PolarHBondContact O-NZ 3.28Å; L721-K787 HydrophobicContact CB-CD 4.09Å; L721-K787 HydrophobicContact CB-CG 4.44Å; L721-K787 HydrophobicContact CD1-CB 4.37Å; L721-K787 HydrophobicContact CD1-CD 4.13Å; L721-K787 HydrophobicContact CD1-CG 4.19Å; Y784-K787 PolarHBondContact O-N 2.6Å; Q785-K787 PolarHBondContact O-N 3.25Å; K787-L791 HydrophobicContact CG-CD1 4.37Å; K787-L791 WeakPolarHBondContact O-CB 3.5Å; K787-L791 VanDerWaalsContact O-CG 3.3Å; K787-L791 WeakPolarHBondContact O-CG 3.41Å; K787-L791 PolarHBondContact O-N 3.38Å
788	A	98.6	Very high	98.3	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-68.3	-41	176	0	0	0	0	0	111.8	L721 L774 Y784 Q785 E786 D790 L791 Y792	L721-A788 HydrophobicContact CD1-CB 4.32Å; L774-A788 HydrophobicContact CD2-CB 4.44Å; Y784-A788 PolarHBondContact O-N 3.42Å; Q785-A788 PolarHBondContact O-N 3.09Å; E786-A788 VanDerWaalsContact C-N 3.31Å; E786-A788 PolarHBondContact O-N 3.15Å; A788-D790 PolarHBondContact O-N 3.42Å; A788-L791 PolarHBondContact O-N 3.02Å; A788-Y792 WeakPolarHBondContact O-CB 3.25Å; A788-Y792 PolarHBondContact O-N 3.12Å
789	A	98.6	Very high	98.4	Very high	25 Å²	25	58.3 Å²	58.3	21%	0.207	30%	0.299	C	S	.	.	H	α-helix	trans	-64.4	-37.4	178.4	0	0	0	0	0	113	Q785 E786 Y792 K793	Q785-A789 PolarHBondContact O-N 3.07Å; E786-A789 PolarHBondContact O-N 3.15Å; E786-A789 VanDerWaalsContact O-N 3.13Å; A789-Y792 WeakPolarHBondContact O-CB 3.35Å; A789-K793 WeakPolarHBondContact O-CG 3.16Å; A789-K793 PolarHBondContact O-N 3.31Å
790	D	98.3	Very high	98.4	Very high	74 Å²	74	53.6 Å²	53.6	40%	0.396	27%	0.274	S	S	.	.	H	α-helix	trans	-70.6	-46.2	176.4	-72.9	-17.9	0	0	0	111.8	E786 A788 Y792 K793 E794	E786-D790 PolarHBondContact O-N 3.39Å; A788-D790 PolarHBondContact O-N 3.42Å; D790-Y792 VanDerWaalsContact C-N 3.26Å; D790-Y792 PolarHBondContact O-N 2.94Å; D790-K793 PolarHBondContact O-N 2.87Å; D790-K793 IonicContact OD1-NZ 2.8Å; D790-E794 PolarHBondContact O-N 3.2Å
791	L	98.5	Very high	98.4	Very high	7 Å²	7	55.7 Å²	55.7	4%	0.037	28%	0.284	C	S	.	.	H	α-helix	trans	-60.1	-37.9	175.1	-72.9	172.6	0	0	0	112.1	L721 R725 W731 L774 K787 A788 L795	L721-L791 HydrophobicContact CB-CD1 3.87Å; L721-L791 HydrophobicContact CD2-CD1 3.88Å; L721-L791 HydrophobicContact CG-CD1 4.37Å; R725-L791 HydrophobicContact CB-CD2 3.72Å; R725-L791 VanDerWaalsContact CD-CD2 3.47Å; R725-L791 HydrophobicContact CG-CD2 3.77Å; W731-L791 HydrophobicContact CH2-CD2 4.18Å; W731-L791 HydrophobicContact CZ3-CD2 3.94Å; L774-L791 HydrophobicContact CD1-CB 4.01Å; L774-L791 HydrophobicContact CD2-CB 3.82Å; L774-L791 HydrophobicContact CD2-CD1 4.37Å; K787-L791 HydrophobicContact CG-CD1 4.37Å; K787-L791 WeakPolarHBondContact O-CB 3.5Å; K787-L791 VanDerWaalsContact O-CG 3.3Å; K787-L791 WeakPolarHBondContact O-CG 3.41Å; K787-L791 PolarHBondContact O-N 3.38Å; A788-L791 PolarHBondContact O-N 3.02Å; L791-L795 WeakPolarHBondContact O-CB 3.43Å; L791-L795 PolarHBondContact O-N 2.76Å
792	Y	98.8	Very high	98.5	Very high	18 Å²	18	47.9 Å²	47.9	7%	0.071	25%	0.248	C	C	.	.	H	α-helix	trans	-55.1	-55.4	175.3	165.2	-106.7	0	0	0	111.2	V771 L774 Y775 A788 A789 D790 E794 L795 R796 E843 Y845	V771-Y792 HydrophobicContact CG1-CD2 3.87Å; V771-Y792 HydrophobicContact CG1-CE2 3.56Å; V771-Y792 WeakPolarHBondContact O-CD2 3.41Å; L774-Y792 HydrophobicContact CB-CD2 4.37Å; Y775-Y792 HydrophobicContact CD2-CD1 4.39Å; Y775-Y792 HydrophobicContact CD2-CD2 4.33Å; Y775-Y792 AromaticContact CD2-CE1 3.86Å; Y775-Y792 HydrophobicContact CD2-CE1 3.86Å; Y775-Y792 AromaticContact CD2-CE2 3.78Å; Y775-Y792 HydrophobicContact CD2-CE2 3.78Å; Y775-Y792 AromaticContact CD2-CZ 3.52Å; Y775-Y792 HydrophobicContact CE2-CE1 4.48Å; Y775-Y792 HydrophobicContact CG-CE2 4.19Å; A788-Y792 WeakPolarHBondContact O-CB 3.25Å; A788-Y792 PolarHBondContact O-N 3.12Å; A789-Y792 WeakPolarHBondContact O-CB 3.35Å; D790-Y792 VanDerWaalsContact C-N 3.26Å; D790-Y792 PolarHBondContact O-N 2.94Å; Y792-E794 VanDerWaalsContact C-N 3.32Å; Y792-E794 PolarHBondContact O-N 3.32Å; Y792-L795 PolarHBondContact O-N 3.1Å; Y792-R796 WeakPolarHBondContact O-CB 3.19Å; Y792-R796 PolarHBondContact O-N 2.85Å; Y792-R796 WeakPolarHBondContact OH-CD 3.47Å; Y792-E843 WeakPolarHBondContact OH-CG 3.48Å; Y792-E843 PolarHBondContact OH-OE1 2.95Å; Y792-E843 VanDerWaalsContact OH-OE1 3.11Å; Y792-Y845 AromaticContact CE2-CE2 3.79Å; Y792-Y845 HydrophobicContact CE2-CE2 3.79Å; Y792-Y845 AromaticContact CE2-CZ 3.72Å; Y792-Y845 VanDerWaalsContact CE2-OH 3.29Å; Y792-Y845 WeakPolarHBondContact CE2-OH 3.23Å; Y792-Y845 AromaticContact CZ-CE2 3.98Å; Y792-Y845 WeakPolarHBondContact OH-CE2 3.47Å; Y792-Y845 PolarHBondContact OH-OH 2.91Å
793	K	98.5	Very high	98.6	Very high	122 Å²	122	46.7 Å²	46.7	53%	0.53	24%	0.235	S	C	.	.	H	α-helix	trans	-57.9	-46.8	-176.3	-70	168.5	-172.1	164.1	0	111.1	A789 D790 T797	A789-K793 WeakPolarHBondContact O-CG 3.16Å; A789-K793 PolarHBondContact O-N 3.31Å; D790-K793 PolarHBondContact O-N 2.87Å; D790-K793 IonicContact OD1-NZ 2.8Å; K793-T797 WeakPolarHBondContact O-CB 3.48Å; K793-T797 PolarHBondContact O-N 2.88Å; K793-T797 VanDerWaalsContact O-N 3.15Å; K793-T797 PolarHBondContact O-OG1 3.05Å
794	E	98.5	Very high	98.6	Very high	79 Å²	79	44.3 Å²	44.3	37%	0.369	22%	0.215	S	C	.	.	H	α-helix	trans	-71.6	-46.9	-177.1	-68.6	-169.9	-120.8	0	0	112.7	R725 W731 D790 Y792 R796 T797 N798	R725-E794 IonicContact CZ-OE1 3.68Å; R725-E794 IonicContact CZ-OE2 2.85Å; R725-E794 IonicContact NH1-OE1 2.98Å; R725-E794 PolarHBondContact NH1-OE1 3Å; R725-E794 IonicContact NH1-OE2 2.8Å; R725-E794 PolarHBondContact NH1-OE2 2.79Å; R725-E794 IonicContact NH2-OE1 2.89Å; R725-E794 PolarHBondContact NH2-OE1 3.04Å; R725-E794 IonicContact NH2-OE2 3.77Å; R725-E794 PolarHBondContact NH2-OE2 2.84Å; W731-E794 HydrophobicContact CH2-CB 4.06Å; W731-E794 HydrophobicContact CZ2-CB 3.97Å; D790-E794 PolarHBondContact O-N 3.2Å; Y792-E794 VanDerWaalsContact C-N 3.32Å; Y792-E794 PolarHBondContact O-N 3.32Å; E794-R796 PolarHBondContact O-N 3.11Å; E794-T797 PolarHBondContact O-N 3.37Å; E794-N798 WeakPolarHBondContact O-CB 3.4Å; E794-N798 VanDerWaalsContact O-CG 3.28Å; E794-N798 PolarHBondContact O-N 2.89Å
795	L	98.9	Very high	98.6	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-62.7	-46	-178.8	-178.9	59.1	0	0	0	110.8	W731 L736 A770 V771 L774 L791 Y792 T797 N798 I799	W731-L795 HydrophobicContact CH2-CB 3.73Å; W731-L795 HydrophobicContact CH2-CD1 4.35Å; W731-L795 HydrophobicContact CZ3-CB 3.98Å; W731-L795 HydrophobicContact CZ3-CD1 4.18Å; L736-L795 HydrophobicContact CD1-CD2 3.81Å; L736-L795 HydrophobicContact CD2-CD1 4.11Å; L736-L795 HydrophobicContact CD2-CD2 4.34Å; L736-L795 HydrophobicContact CG-CD1 3.86Å; L736-L795 HydrophobicContact CG-CD2 3.87Å; A770-L795 HydrophobicContact CB-CD2 4.13Å; V771-L795 HydrophobicContact CG2-CB 4.46Å; V771-L795 HydrophobicContact CG2-CD2 3.93Å; V771-L795 HydrophobicContact CG2-CG 3.92Å; L774-L795 HydrophobicContact CD1-CB 4.24Å; L774-L795 HydrophobicContact CD1-CD2 3.75Å; L791-L795 WeakPolarHBondContact O-CB 3.43Å; L791-L795 PolarHBondContact O-N 2.76Å; Y792-L795 PolarHBondContact O-N 3.1Å; L795-T797 VanDerWaalsContact C-N 3.32Å; L795-T797 PolarHBondContact O-N 2.99Å; L795-N798 PolarHBondContact O-N 3.16Å; L795-I799 HydrophobicContact CD1-CD1 3.86Å; L795-I799 HydrophobicContact CD1-CG1 4.22Å; L795-I799 HydrophobicContact CG-CD1 3.76Å; L795-I799 WeakPolarHBondContact O-CD1 3.19Å; L795-I799 VanDerWaalsContact O-CG1 3.28Å; L795-I799 WeakPolarHBondContact O-CG1 3.42Å; L795-I799 PolarHBondContact O-N 3.49Å; L795-I799 VanDerWaalsContact O-N 3.08Å
796	R	98.8	Very high	98.6	Very high	33 Å²	33	41.5 Å²	41.5	13%	0.125	21%	0.21	C	C	.	.	H	α-helix	trans	-55	-48.2	175.3	175.1	179.2	172.5	-94.8	2	111.2	V771 Y792 E794 I799 I800 M840 M841 E843	V771-R796 HydrophobicContact CG1-CB 4.17Å; V771-R796 HydrophobicContact CG2-CB 4.49Å; Y792-R796 WeakPolarHBondContact O-CB 3.19Å; Y792-R796 PolarHBondContact O-N 2.85Å; Y792-R796 WeakPolarHBondContact OH-CD 3.47Å; E794-R796 PolarHBondContact O-N 3.11Å; R796-I799 PolarHBondContact O-N 3.35Å; R796-I800 HydrophobicContact CG-CD1 3.68Å; R796-I800 VanDerWaalsContact O-CG1 3.28Å; R796-I800 WeakPolarHBondContact O-CG1 3.2Å; R796-I800 PolarHBondContact O-N 3.45Å; R796-M840 PolarHBondContact NE-O 3.06Å; R796-M840 PolarHBondContact NH2-O 2.78Å; R796-M841 PolarHBondContact NH2-O 3.48Å; R796-E843 IonicContact CZ-OE1 3.17Å; R796-E843 IonicContact NE-OE1 3.35Å; R796-E843 IonicContact NH1-OE1 3.01Å; R796-E843 IonicContact NH2-OE1 3.68Å
797	T	98.7	Very high	98.6	Very high	60 Å²	60	36.3 Å²	36.3	37%	0.368	19%	0.185	S	C	.	.	H	α-helix	trans	-63.3	-46	-179	-60.3	0	0	0	0	111.7	K793 E794 L795 I799 I800 N801	K793-T797 WeakPolarHBondContact O-CB 3.48Å; K793-T797 PolarHBondContact O-N 2.88Å; K793-T797 VanDerWaalsContact O-N 3.15Å; K793-T797 PolarHBondContact O-OG1 3.05Å; E794-T797 PolarHBondContact O-N 3.37Å; L795-T797 VanDerWaalsContact C-N 3.32Å; L795-T797 PolarHBondContact O-N 2.99Å; T797-I799 VanDerWaalsContact C-N 3.35Å; T797-I799 PolarHBondContact O-N 3.12Å; T797-I800 PolarHBondContact O-N 3.29Å; T797-N801 WeakPolarHBondContact CG2-ND2 3.44Å; T797-N801 VanDerWaalsContact O-CB 3.31Å; T797-N801 WeakPolarHBondContact O-CB 3.49Å; T797-N801 PolarHBondContact O-N 3.24Å; T797-N801 PolarHBondContact O-ND2 3.33Å
798	N	98.8	Very high	98.5	Very high	34 Å²	34	37.2 Å²	37.2	18%	0.182	20%	0.197	C	C	.	.	H	α-helix	trans	-58.4	-45.4	178.7	-75.1	-3.6	0	0	0	112.2	T732 P733 E794 L795 N802	T732-N798 PolarHBondContact O-ND2 3.05Å; P733-N798 VanDerWaalsContact O-CB 3.26Å; P733-N798 WeakPolarHBondContact O-CB 3.34Å; E794-N798 WeakPolarHBondContact O-CB 3.4Å; E794-N798 VanDerWaalsContact O-CG 3.28Å; E794-N798 PolarHBondContact O-N 2.89Å; L795-N798 PolarHBondContact O-N 3.16Å; N798-N802 WeakPolarHBondContact O-CB 3.39Å; N798-N802 PolarHBondContact O-N 3.06Å
799	I	98.9	Very high	98.4	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-66.4	-50.3	-179.9	-63.2	157.3	0	0	0	110.9	I764 N767 V771 L795 R796 T797 N801 N802 V803 M840	I764-I799 HydrophobicContact CD1-CG2 3.67Å; N767-I799 HydrophobicContact CB-CD1 3.71Å; N767-I799 HydrophobicContact CB-CG1 4.45Å; V771-I799 HydrophobicContact CG2-CD1 3.77Å; L795-I799 HydrophobicContact CD1-CD1 3.86Å; L795-I799 HydrophobicContact CD1-CG1 4.22Å; L795-I799 HydrophobicContact CG-CD1 3.76Å; L795-I799 WeakPolarHBondContact O-CD1 3.19Å; L795-I799 VanDerWaalsContact O-CG1 3.28Å; L795-I799 WeakPolarHBondContact O-CG1 3.42Å; L795-I799 PolarHBondContact O-N 3.49Å; L795-I799 VanDerWaalsContact O-N 3.08Å; R796-I799 PolarHBondContact O-N 3.35Å; T797-I799 VanDerWaalsContact C-N 3.35Å; T797-I799 PolarHBondContact O-N 3.12Å; I799-N801 VanDerWaalsContact C-N 3.32Å; I799-N801 PolarHBondContact O-N 3.17Å; I799-N802 PolarHBondContact O-N 3.08Å; I799-V803 HydrophobicContact CG2-CG2 4.16Å; I799-V803 WeakPolarHBondContact O-CG2 3.5Å; I799-V803 PolarHBondContact O-N 3.29Å; I799-M840 HydrophobicContact CB-CE 4.42Å; I799-M840 HydrophobicContact CD1-SD 4.09Å; I799-M840 HydrophobicContact CG2-CE 3.51Å; I799-M840 HydrophobicContact CG2-SD 4.29Å
800	I	98.9	Very high	98.3	Very high	5 Å²	5	44.3 Å²	44.3	3%	0.026	23%	0.228	C	C	.	.	H	α-helix	trans	-57.7	-48.1	-179.1	-68.6	167.5	0	0	0	110	F380 R796 T797 N802 Y804 T837 M840 M841	F380-I800 HydrophobicContact CE1-CG2 4.28Å; F380-I800 HydrophobicContact CZ-CD1 4.43Å; R796-I800 HydrophobicContact CG-CD1 3.68Å; R796-I800 VanDerWaalsContact O-CG1 3.28Å; R796-I800 WeakPolarHBondContact O-CG1 3.2Å; R796-I800 PolarHBondContact O-N 3.45Å; T797-I800 PolarHBondContact O-N 3.29Å; I800-N802 PolarHBondContact O-N 2.99Å; I800-Y804 WeakPolarHBondContact O-CB 3.48Å; I800-Y804 PolarHBondContact O-N 2.94Å; I800-T837 HydrophobicContact CG1-CG2 4.09Å; I800-M840 HydrophobicContact CD1-CB 4.43Å; I800-M840 HydrophobicContact CG1-CB 4.46Å; I800-M841 HydrophobicContact CD1-CB 4.42Å; I800-M841 HydrophobicContact CD1-CG 3.76Å; I800-M841 HydrophobicContact CG1-CG 3.89Å; I800-M841 HydrophobicContact CG2-CG 3.92Å; I800-M841 HydrophobicContact CG2-SD 4.44Å
801	N	98.8	Very high	98.1	Very high	82 Å²	82	42 Å²	42	44%	0.439	22%	0.221	S	C	.	.	H	α-helix	trans	-61.5	-45	-179.3	-72.8	-14.1	0	0	0	111.9	T797 I799 A805	T797-N801 WeakPolarHBondContact CG2-ND2 3.44Å; T797-N801 VanDerWaalsContact O-CB 3.31Å; T797-N801 WeakPolarHBondContact O-CB 3.49Å; T797-N801 PolarHBondContact O-N 3.24Å; T797-N801 PolarHBondContact O-ND2 3.33Å; I799-N801 VanDerWaalsContact C-N 3.32Å; I799-N801 PolarHBondContact O-N 3.17Å; N801-A805 WeakPolarHBondContact O-CB 3.31Å; N801-A805 PolarHBondContact O-N 2.88Å
802	N	98.9	Very high	98	Very high	13 Å²	13	42.2 Å²	42.2	7%	0.07	22%	0.222	C	C	.	.	H	α-helix	trans	-68.6	-48.2	-177.9	-170.6	60.3	0	0	0	112.3	F734 N798 I799 I800 Y804 A805 Q806 Y817 G822	F734-N802 HydrophobicContact CB-CB 4.12Å; F734-N802 HydrophobicContact CD1-CB 4.1Å; F734-N802 VanDerWaalsContact CD1-OD1 3.28Å; F734-N802 WeakPolarHBondContact CD1-OD1 3.28Å; N798-N802 WeakPolarHBondContact O-CB 3.39Å; N798-N802 PolarHBondContact O-N 3.06Å; I799-N802 PolarHBondContact O-N 3.08Å; I800-N802 PolarHBondContact O-N 2.99Å; N802-Y804 VanDerWaalsContact C-N 3.32Å; N802-Y804 PolarHBondContact O-N 2.78Å; N802-A805 PolarHBondContact O-N 3.42Å; N802-Q806 WeakPolarHBondContact O-CB 3.2Å; N802-Q806 WeakPolarHBondContact O-CG 3.22Å; N802-Q806 PolarHBondContact O-N 3.5Å; N802-Y817 WeakPolarHBondContact ND2-CD1 3.35Å; N802-G822 PolarHBondContact ND2-O 2.82Å; N802-G822 VanDerWaalsContact OD1-CA 3.27Å; N802-G822 WeakPolarHBondContact OD1-CA 3.48Å; N802-G822 PolarHBondContact OD1-O 3.33Å
803	V	98.8	Very high	98	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.006	22%	0.219	C	C	.	.	H	α-helix	trans	-61.6	-43.2	179.5	177	0	0	0	0	110.6	F387 I764 I799 F807 I813 Y817 T837	F387-V803 HydrophobicContact CE2-CG1 3.95Å; F387-V803 HydrophobicContact CZ-CB 4.47Å; F387-V803 HydrophobicContact CZ-CG1 3.63Å; I764-V803 HydrophobicContact CD1-CG2 3.62Å; I764-V803 HydrophobicContact CG1-CG2 4.27Å; I799-V803 HydrophobicContact CG2-CG2 4.16Å; I799-V803 WeakPolarHBondContact O-CG2 3.5Å; I799-V803 PolarHBondContact O-N 3.29Å; V803-F807 WeakPolarHBondContact O-CB 3.44Å; V803-F807 PolarHBondContact O-N 3.42Å; V803-I813 HydrophobicContact CG1-CG2 4.38Å; V803-Y817 HydrophobicContact CG2-CE1 4.43Å; V803-Y817 HydrophobicContact CG2-CE2 3.91Å; V803-T837 HydrophobicContact CB-CG2 4.24Å; V803-T837 HydrophobicContact CG1-CG2 4.32Å
804	Y	98.8	Very high	98	Very high	41 Å²	41	37.3 Å²	37.3	16%	0.161	20%	0.2	C	C	.	.	H	α-helix	trans	-63.9	-46	175.9	170.7	-104.7	0	0	0	112.2	T383 H384 F387 I800 N802 Q806 F807 V808	T383-Y804 WeakPolarHBondContact CB-OH 3.46Å; T383-Y804 PolarHBondContact OG1-OH 3.25Å; H384-Y804 AromaticContact CD2-CD1 3.83Å; H384-Y804 AromaticContact CD2-CD2 3.87Å; H384-Y804 AromaticContact CD2-CG 3.69Å; H384-Y804 AromaticContact CE1-CE1 3.78Å; H384-Y804 AromaticContact NE2-CD1 3.4Å; H384-Y804 WeakPolarHBondContact NE2-CD1 3.27Å; H384-Y804 AromaticContact NE2-CE1 3.63Å; H384-Y804 AromaticContact NE2-CG 3.77Å; F387-Y804 HydrophobicContact CB-CD2 3.69Å; F387-Y804 HydrophobicContact CB-CE2 4.05Å; F387-Y804 HydrophobicContact CD1-CD2 4.09Å; F387-Y804 AromaticContact CG-CD2 3.84Å; F387-Y804 HydrophobicContact CG-CD2 3.84Å; I800-Y804 WeakPolarHBondContact O-CB 3.48Å; I800-Y804 PolarHBondContact O-N 2.94Å; N802-Y804 VanDerWaalsContact C-N 3.32Å; N802-Y804 PolarHBondContact O-N 2.78Å; Y804-Q806 VanDerWaalsContact C-N 3.33Å; Y804-Q806 PolarHBondContact O-N 3.48Å; Y804-F807 WeakPolarHBondContact O-CB 3.43Å; Y804-F807 PolarHBondContact O-N 2.92Å; Y804-V808 HydrophobicContact CD2-CG2 4.19Å; Y804-V808 HydrophobicContact CE1-CG2 4.05Å; Y804-V808 HydrophobicContact CE2-CG2 3.67Å; Y804-V808 WeakPolarHBondContact O-CG2 3.26Å; Y804-V808 PolarHBondContact O-N 3.26Å
805	A	98.6	Very high	98	Very high	44 Å²	44	33.9 Å²	33.9	36%	0.364	18%	0.184	S	C	.	.	H	α-helix	trans	-59.6	-44.4	178.5	0	0	0	0	0	111.6	N801 N802 V808 E809	N801-A805 WeakPolarHBondContact O-CB 3.31Å; N801-A805 PolarHBondContact O-N 2.88Å; N802-A805 PolarHBondContact O-N 3.42Å; A805-V808 PolarHBondContact O-N 3.48Å; A805-E809 WeakPolarHBondContact O-CB 3.39Å; A805-E809 PolarHBondContact O-N 3Å
806	Q	98.3	Very high	98	Very high	11 Å²	11	34.5 Å²	34.5	5%	0.051	19%	0.187	C	C	.	.	H	α-helix	trans	-65.9	-38	176.4	-68.4	-56.8	-66.8	0	0	112.4	N802 Y804 V808 E809 T810 Y817 G822 R823	N802-Q806 WeakPolarHBondContact O-CB 3.2Å; N802-Q806 WeakPolarHBondContact O-CG 3.22Å; N802-Q806 PolarHBondContact O-N 3.5Å; Y804-Q806 VanDerWaalsContact C-N 3.33Å; Y804-Q806 PolarHBondContact O-N 3.48Å; Q806-V808 VanDerWaalsContact C-N 3.34Å; Q806-V808 PolarHBondContact O-N 3.22Å; Q806-E809 PolarHBondContact NE2-OE2 3.27Å; Q806-E809 PolarHBondContact O-N 3.39Å; Q806-T810 WeakPolarHBondContact O-CB 3.32Å; Q806-T810 WeakPolarHBondContact O-CG2 3.4Å; Q806-T810 PolarHBondContact O-N 2.78Å; Q806-T810 PolarHBondContact O-OG1 3.25Å; Q806-T810 VanDerWaalsContact O-OG1 3.04Å; Q806-Y817 HydrophobicContact CB-CD1 4.47Å; Q806-Y817 HydrophobicContact CB-CE1 3.91Å; Q806-Y817 HydrophobicContact CG-CD1 3.98Å; Q806-Y817 HydrophobicContact CG-CE1 3.93Å; Q806-G822 WeakPolarHBondContact CG-O 3.31Å; Q806-R823 VanDerWaalsContact OE1-CA 3.32Å
807	F	97.6	Very high	98	Very high	42 Å²	42	33 Å²	33	18%	0.184	18%	0.181	C	C	.	.	H	α-helix	trans	-61.1	-42.5	172.6	174.6	-100.9	0	0	0	112.4	F387 A390 V803 Y804 G811 Y812 I813	F387-F807 HydrophobicContact CB-CD1 3.96Å; F387-F807 HydrophobicContact CB-CE1 4.08Å; F387-F807 HydrophobicContact CD2-CB 3.78Å; F387-F807 AromaticContact CD2-CD1 3.59Å; F387-F807 HydrophobicContact CD2-CD1 3.59Å; F387-F807 HydrophobicContact CD2-CD2 4.2Å; F387-F807 HydrophobicContact CD2-CE1 4.2Å; F387-F807 AromaticContact CD2-CG 3.58Å; F387-F807 HydrophobicContact CD2-CG 3.58Å; F387-F807 HydrophobicContact CE2-CB 4.01Å; F387-F807 HydrophobicContact CE2-CG 4.18Å; F387-F807 HydrophobicContact CG-CD1 4.22Å; A390-F807 HydrophobicContact CB-CE2 4.47Å; A390-F807 HydrophobicContact CB-CZ 4.02Å; V803-F807 WeakPolarHBondContact O-CB 3.44Å; V803-F807 PolarHBondContact O-N 3.42Å; Y804-F807 WeakPolarHBondContact O-CB 3.43Å; Y804-F807 PolarHBondContact O-N 2.92Å; F807-G811 WeakPolarHBondContact O-CA 3.5Å; F807-G811 PolarHBondContact O-N 2.85Å; F807-Y812 WeakPolarHBondContact CA-O 3.2Å; F807-I813 HydrophobicContact CD2-CG1 3.96Å
808	V	96.9	Very high	98	Very high	91 Å²	91	31.6 Å²	31.6	55%	0.552	17%	0.171	S	C	*	.	H	α-helix	trans	-67.5	-43	177.5	172.1	0	0	0	0	111.5	Y804 A805 Q806	Y804-V808 HydrophobicContact CD2-CG2 4.19Å; Y804-V808 HydrophobicContact CE1-CG2 4.05Å; Y804-V808 HydrophobicContact CE2-CG2 3.67Å; Y804-V808 WeakPolarHBondContact O-CG2 3.26Å; Y804-V808 PolarHBondContact O-N 3.26Å; A805-V808 PolarHBondContact O-N 3.48Å; Q806-V808 VanDerWaalsContact C-N 3.34Å; Q806-V808 PolarHBondContact O-N 3.22Å
809	E	96.1	Very high	97.9	Very high	140 Å²	140	30.1 Å²	30.1	65%	0.654	16%	0.164	S	C	*	.	H	α-helix	trans	-70	-45.8	-177.4	-175.6	-178.1	177.1	0	0	112.1	A805 Q806	A805-E809 WeakPolarHBondContact O-CB 3.39Å; A805-E809 PolarHBondContact O-N 3Å; Q806-E809 PolarHBondContact NE2-OE2 3.27Å; Q806-E809 PolarHBondContact O-N 3.39Å
810	T	95.2	Very high	97.8	Very high	33 Å²	33	32.7 Å²	32.7	20%	0.202	19%	0.19	C	C	.	.	H	α-helix	trans	-107.9	-8.9	-169.4	83.3	0	0	0	0	113.9	Q806 Y812 W814	Q806-T810 WeakPolarHBondContact O-CB 3.32Å; Q806-T810 WeakPolarHBondContact O-CG2 3.4Å; Q806-T810 PolarHBondContact O-N 2.78Å; Q806-T810 PolarHBondContact O-OG1 3.25Å; Q806-T810 VanDerWaalsContact O-OG1 3.04Å; T810-Y812 WeakPolarHBondContact O-CD2 3.31Å; T810-Y812 PolarHBondContact O-N 3.08Å; T810-Y812 PolarHBondContact OG1-N 3.32Å; T810-W814 HydrophobicContact CG2-CZ2 4.18Å; T810-W814 PolarHBondContact OG1-NE1 3.22Å
811	G	94.4	Very high	97.8	Very high	25 Å²	25	36.9 Å²	36.9	26%	0.258	22%	0.216	S	C	.	.	S	Bend	trans	72.9	9.4	-173.9	0	0	0	0	0	115.1	F807	F807-G811 WeakPolarHBondContact O-CA 3.5Å; F807-G811 PolarHBondContact O-N 2.85Å
812	Y	97.3	Very high	97.8	Very high	12 Å²	12	33 Å²	33	5%	0.047	20%	0.195	C	C	.	.	S	Bend	trans	-137.6	152.6	-174.6	-62.5	-68.4	0	0	0	112.9	L141 G143 Y144 F807 T810 W814 H828 P829	L141-Y812 PolarHBondContact O-OH 3.43Å; G143-Y812 VanDerWaalsContact CA-OH 3.28Å; G143-Y812 WeakPolarHBondContact CA-OH 3.32Å; G143-Y812 PolarHBondContact N-OH 3.29Å; Y144-Y812 AromaticContact CD1-CE1 3.61Å; Y144-Y812 HydrophobicContact CD1-CE1 3.61Å; Y144-Y812 AromaticContact CD1-CZ 3.96Å; Y144-Y812 WeakPolarHBondContact CD1-OH 2.85Å; Y144-Y812 AromaticContact CE1-CE1 3.86Å; Y144-Y812 HydrophobicContact CE1-CE1 3.86Å; Y144-Y812 HydrophobicContact CG-CE1 4.38Å; Y144-Y812 PolarHBondContact N-OH 2.86Å; F807-Y812 WeakPolarHBondContact CA-O 3.2Å; T810-Y812 WeakPolarHBondContact O-CD2 3.31Å; T810-Y812 PolarHBondContact O-N 3.08Å; T810-Y812 PolarHBondContact OG1-N 3.32Å; Y812-W814 PolarHBondContact O-NE1 2.85Å; Y812-H828 AromaticContact CD1-ND1 3.89Å; Y812-H828 AromaticContact CD2-ND1 3.44Å; Y812-H828 WeakPolarHBondContact CD2-ND1 3.32Å; Y812-H828 AromaticContact CE2-CE1 3.88Å; Y812-H828 AromaticContact CE2-ND1 3.6Å; Y812-H828 HydrophobicContact CG-CB 4.18Å; Y812-H828 AromaticContact CG-ND1 3.61Å; Y812-H828 AromaticContact CZ-ND1 3.88Å; Y812-P829 HydrophobicContact CD1-CB 4.04Å
813	I	98.3	Very high	97.7	Very high	3 Å²	3	40.3 Å²	40.3	2%	0.015	22%	0.222	C	C	.	.			trans	-93.9	137.8	161.8	-57	-179.9	0	0	0	107.6	F387 A391 V803 F807 F830 T831	F387-I813 HydrophobicContact CD2-CD1 4.43Å; F387-I813 HydrophobicContact CE2-CD1 3.69Å; F387-I813 HydrophobicContact CE2-CG1 4.01Å; F387-I813 HydrophobicContact CZ-CD1 4.43Å; A391-I813 HydrophobicContact CB-CD1 3.58Å; V803-I813 HydrophobicContact CG1-CG2 4.38Å; F807-I813 HydrophobicContact CD2-CG1 3.96Å; I813-F830 WeakPolarHBondContact CG2-O 3.42Å; I813-F830 PolarHBondContact O-N 3.48Å; I813-T831 HydrophobicContact CB-CG2 4.24Å; I813-T831 HydrophobicContact CD1-CG2 4.09Å; I813-T831 HydrophobicContact CG1-CG2 4.5Å
814	W	98.5	Very high	97.7	Very high	34 Å²	34	40.4 Å²	40.4	13%	0.129	22%	0.223	C	C	.	.			trans	-110.6	158.2	-171.4	-62.6	79.9	0	0	0	112.6	T810 Y812 Y817 G824 H828 S834	T810-W814 HydrophobicContact CG2-CZ2 4.18Å; T810-W814 PolarHBondContact OG1-NE1 3.22Å; Y812-W814 PolarHBondContact O-NE1 2.85Å; W814-Y817 HydrophobicContact CB-CE1 4.09Å; W814-Y817 PolarHBondContact N-OH 2.84Å; W814-Y817 VanDerWaalsContact N-OH 3.15Å; W814-Y817 PolarHBondContact O-OH 3.48Å; W814-G824 VanDerWaalsContact CG-CA 3.43Å; W814-H828 HydrophobicContact CD2-CB 4.03Å; W814-H828 HydrophobicContact CE3-CB 3.92Å; W814-H828 AromaticContact CE3-CD2 3.67Å; W814-H828 AromaticContact CH2-CD2 3.27Å; W814-H828 WeakPolarHBondContact CH2-CD2 3.23Å; W814-H828 AromaticContact CH2-CG 3.91Å; W814-H828 AromaticContact CH2-NE2 3.73Å; W814-H828 HydrophobicContact CZ3-CB 4.22Å; W814-H828 AromaticContact CZ3-CD2 3.08Å; W814-H828 WeakPolarHBondContact CZ3-CD2 3.26Å; W814-H828 AromaticContact CZ3-CG 3.85Å; W814-H828 AromaticContact CZ3-NE2 3.9Å; W814-S834 WeakPolarHBondContact O-CB 3.46Å; W814-S834 PolarHBondContact O-OG 3.48Å
815	E	98.5	Very high	97.6	Very high	8 Å²	8	41.5 Å²	41.5	4%	0.037	23%	0.23	C	C	.	.	S	Bend	trans	-62.4	-46.6	178.8	175.7	176	-136.7	0	0	112.4	Y757 W763 G826 S827 F830 W833	Y757-E815 PolarHBondContact OH-OE1 3.26Å; Y757-E815 PolarHBondContact OH-OE2 2.79Å; W763-E815 HydrophobicContact CE3-CG 4.29Å; W763-E815 HydrophobicContact CH2-CG 4Å; W763-E815 HydrophobicContact CZ3-CG 3.52Å; E815-G826 WeakPolarHBondContact OE2-CA 3.28Å; E815-S827 PolarHBondContact N-O 2.92Å; E815-S827 VanDerWaalsContact N-O 3.17Å; E815-S827 PolarHBondContact OE2-N 3.41Å; E815-F830 VanDerWaalsContact CA-CG 3.44Å; E815-F830 HydrophobicContact CB-CB 4.03Å; E815-F830 HydrophobicContact CB-CD1 4.32Å; E815-F830 HydrophobicContact CB-CD2 3.64Å; E815-F830 HydrophobicContact CB-CE2 4.13Å; E815-F830 HydrophobicContact CB-CG 3.74Å; E815-F830 HydrophobicContact CG-CD2 3.91Å; E815-F830 HydrophobicContact CG-CE2 3.87Å; E815-F830 HydrophobicContact CG-CG 4.32Å; E815-F830 HydrophobicContact CG-CZ 4.28Å; E815-F830 VanDerWaalsContact N-CB 3.31Å; E815-W833 HydrophobicContact CG-CZ2 4.34Å; E815-W833 PolarHBondContact O-NE1 3.34Å
816	Q	98.5	Very high	97.4	Very high	13 Å²	13	41.1 Å²	41.1	6%	0.061	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	166.3	179.4	57.2	170.2	12.3	0	0	110.7	Y757 P761 V762 W763 Q825	Y757-Q816 PolarHBondContact O-OE1 3.36Å; P761-Q816 HydrophobicContact CB-CB 4.24Å; P761-Q816 HydrophobicContact CB-CG 4.38Å; V762-Q816 CarbonylContact O-C 3.6Å; V762-Q816 WeakPolarHBondContact O-CA 3.43Å; W763-Q816 HydrophobicContact CD2-CB 3.83Å; W763-Q816 HydrophobicContact CE3-CB 4.16Å; W763-Q816 HydrophobicContact CG-CB 4.29Å; W763-Q816 HydrophobicContact CH2-CB 4.46Å; W763-Q816 HydrophobicContact CZ2-CB 4.12Å; W763-Q816 HydrophobicContact CZ2-CG 4.3Å; W763-Q816 HydrophobicContact CZ3-CB 4.47Å; Q816-Q825 HydrophobicContact CG-CB 4.08Å; Q816-Q825 WeakPolarHBondContact CG-O 3.22Å; Q816-Q825 PolarHBondContact N-O 3.44Å; Q816-Q825 PolarHBondContact O-N 3.4Å; Q816-Q825 VanDerWaalsContact O-O 3.1Å
817	Y	98.8	Very high	97.3	Very high	1 Å²	1	40.8 Å²	40.8	0%	0.004	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	140.5	-178.6	-59.1	-92.7	0	0	0	110.7	P761 V762 I764 N802 V803 Q806 W814 D819 G822 R823	P761-Y817 WeakPolarHBondContact CA-O 3.37Å; V762-Y817 PolarHBondContact N-O 2.78Å; V762-Y817 PolarHBondContact O-N 3.31Å; I764-Y817 HydrophobicContact CD1-CD2 4.09Å; I764-Y817 HydrophobicContact CD1-CE2 3.9Å; I764-Y817 HydrophobicContact CG1-CD2 4.27Å; I764-Y817 HydrophobicContact CG1-CE2 3.77Å; N802-Y817 WeakPolarHBondContact ND2-CD1 3.35Å; V803-Y817 HydrophobicContact CG2-CE1 4.43Å; V803-Y817 HydrophobicContact CG2-CE2 3.91Å; Q806-Y817 HydrophobicContact CB-CD1 4.47Å; Q806-Y817 HydrophobicContact CB-CE1 3.91Å; Q806-Y817 HydrophobicContact CG-CD1 3.98Å; Q806-Y817 HydrophobicContact CG-CE1 3.93Å; W814-Y817 HydrophobicContact CB-CE1 4.09Å; W814-Y817 PolarHBondContact N-OH 2.84Å; W814-Y817 VanDerWaalsContact N-OH 3.15Å; W814-Y817 PolarHBondContact O-OH 3.48Å; Y817-D819 PolarHBondContact O-N 3.48Å; Y817-G822 WeakPolarHBondContact CD1-O 3.5Å; Y817-R823 WeakPolarHBondContact CA-O 3.4Å
818	N	98.6	Very high	97.2	Very high	30 Å²	30	40.2 Å²	40.2	16%	0.16	23%	0.227	C	C	.	.			trans	-64.5	129.6	177.4	-175.1	-97.6	0	0	0	110.3	G820 T821 G822 R823 Q825	N818-G820 VanDerWaalsContact C-N 3.3Å; N818-G820 PolarHBondContact O-N 2.94Å; N818-G820 PolarHBondContact OD1-N 3.39Å; N818-G820 VanDerWaalsContact OD1-N 3.08Å; N818-T821 WeakPolarHBondContact CB-OG1 3.48Å; N818-T821 VanDerWaalsContact CG-OG1 3.29Å; N818-T821 PolarHBondContact OD1-N 2.85Å; N818-T821 PolarHBondContact OD1-OG1 3.3Å; N818-G822 VanDerWaalsContact O-CA 3.25Å; N818-G822 WeakPolarHBondContact O-CA 3.34Å; N818-G822 PolarHBondContact O-N 3.48Å; N818-R823 HydrophobicContact CB-CB 4.47Å; N818-R823 PolarHBondContact N-O 2.83Å; N818-Q825 HydrophobicContact CB-CG 4.31Å
819	D	97.6	Very high	97.2	Very high	4 Å²	4	36 Å²	36	2%	0.021	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-18.3	-175	70.2	-55.3	0	0	0	114.3	T732 R737 Y746 M747 V762 Y817	T732-D819 HydrophobicContact CG2-CB 4.04Å; R737-D819 WeakPolarHBondContact CD-OD2 3.27Å; R737-D819 HydrophobicContact CG-CB 3.83Å; R737-D819 IonicContact CZ-OD2 3.39Å; R737-D819 IonicContact NE-OD2 3.2Å; R737-D819 PolarHBondContact NE-OD2 3.09Å; R737-D819 IonicContact NH2-OD2 2.68Å; Y746-D819 WeakPolarHBondContact CE2-OD2 3.31Å; Y746-D819 PolarHBondContact OH-OD1 3.41Å; Y746-D819 PolarHBondContact OH-OD2 3.12Å; M747-D819 WeakPolarHBondContact CE-OD1 3.27Å; V762-D819 HydrophobicContact CG2-CB 4.23Å; Y817-D819 PolarHBondContact O-N 3.48Å
820	G	97.3	Very high	97.3	Very high	54 Å²	54	29.4 Å²	29.4	56%	0.557	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-28.9	178.2	0	0	0	0	0	114.2	N818	N818-G820 VanDerWaalsContact C-N 3.3Å; N818-G820 PolarHBondContact O-N 2.94Å; N818-G820 PolarHBondContact OD1-N 3.39Å; N818-G820 VanDerWaalsContact OD1-N 3.08Å
821	T	98.1	Very high	97.2	Very high	92 Å²	92	28 Å²	28	56%	0.564	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-123.1	-14.5	-172.3	60	0	0	0	0	114.3	F734 N818 R823	F734-T821 VanDerWaalsContact CZ-C 3.44Å; N818-T821 WeakPolarHBondContact CB-OG1 3.48Å; N818-T821 VanDerWaalsContact CG-OG1 3.29Å; N818-T821 PolarHBondContact OD1-N 2.85Å; N818-T821 PolarHBondContact OD1-OG1 3.3Å; T821-R823 PolarHBondContact O-N 3.33Å; T821-R823 PolarHBondContact OG1-N 3.49Å
822	G	98.3	Very high	97	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.15	C	C	.	.			trans	76.3	-8.4	-173.5	0	0	0	0	0	114.4	F734 N802 Q806 Y817 N818 G824	F734-G822 VanDerWaalsContact CD1-CA 3.5Å; F734-G822 VanDerWaalsContact CE2-N 3.31Å; F734-G822 VanDerWaalsContact CG-CA 3.45Å; N802-G822 PolarHBondContact ND2-O 2.82Å; N802-G822 VanDerWaalsContact OD1-CA 3.27Å; N802-G822 WeakPolarHBondContact OD1-CA 3.48Å; N802-G822 PolarHBondContact OD1-O 3.33Å; Q806-G822 WeakPolarHBondContact CG-O 3.31Å; Y817-G822 WeakPolarHBondContact CD1-O 3.5Å; N818-G822 VanDerWaalsContact O-CA 3.25Å; N818-G822 WeakPolarHBondContact O-CA 3.34Å; N818-G822 PolarHBondContact O-N 3.48Å; G822-G824 PolarHBondContact O-N 2.85Å
823	R	98.4	Very high	97	Very high	167 Å²	167	26.6 Å²	26.6	63%	0.63	15%	0.149	S	C	*	.			trans	-59.2	134.8	-176.3	-171.7	178.5	175.8	-179.4	1.3	111.8	Q806 Y817 N818 T821	Q806-R823 VanDerWaalsContact OE1-CA 3.32Å; Y817-R823 WeakPolarHBondContact CA-O 3.4Å; N818-R823 HydrophobicContact CB-CB 4.47Å; N818-R823 PolarHBondContact N-O 2.83Å; T821-R823 PolarHBondContact O-N 3.33Å; T821-R823 PolarHBondContact OG1-N 3.49Å
824	G	98.1	Very high	97	Very high	3 Å²	3	26.5 Å²	26.5	3%	0.031	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	137.3	172.6	0	0	0	0	0	112.8	W814 G822	W814-G824 VanDerWaalsContact CG-CA 3.43Å; G822-G824 PolarHBondContact O-N 2.85Å
825	Q	96.8	Very high	97	Very high	64 Å²	64	24.9 Å²	24.9	30%	0.299	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	159.8	-177.6	-63.9	-176.7	-57.2	0	0	111.3	Q816 N818	Q816-Q825 HydrophobicContact CG-CB 4.08Å; Q816-Q825 WeakPolarHBondContact CG-O 3.22Å; Q816-Q825 PolarHBondContact N-O 3.44Å; Q816-Q825 PolarHBondContact O-N 3.4Å; Q816-Q825 VanDerWaalsContact O-O 3.1Å; N818-Q825 HydrophobicContact CB-CG 4.31Å
826	G	94.8	Very high	97.1	Very high	37 Å²	37	24.5 Å²	24.5	38%	0.381	14%	0.14	S	C	.	.	S	Bend	trans	82.6	-147.1	177.6	0	0	0	0	0	113.4	Q137 E815	Q137-G826 PolarHBondContact NE2-O 3.44Å; E815-G826 WeakPolarHBondContact OE2-CA 3.28Å
827	S	95.3	Very high	97.1	Very high	3 Å²	3	23.9 Å²	23.9	2%	0.021	14%	0.138	C	C	.	.	S	Bend	trans	-68.5	144.1	-179.7	-166.1	0	0	0	0	112.1	S430 F433 E815	S430-S827 VanDerWaalsContact CB-OG 3.3Å; S430-S827 WeakPolarHBondContact CB-OG 3.36Å; S430-S827 PolarHBondContact OG-OG 2.89Å; F433-S827 WeakPolarHBondContact CB-OG 3.36Å; E815-S827 PolarHBondContact N-O 2.92Å; E815-S827 VanDerWaalsContact N-O 3.17Å; E815-S827 PolarHBondContact OE2-N 3.41Å
828	H	95.8	Very high	97.1	Very high	30 Å²	30	23.8 Å²	23.8	14%	0.139	14%	0.137	C	C	.	.	S	Bend	trans	-149.6	152	168.7	65.6	85.3	0	0	0	111.6	Q137 S432 Y812 W814	Q137-H828 PolarHBondContact NE2-CD2 2.86Å; Q137-H828 VanDerWaalsContact NE2-N 3.17Å; Q137-H828 PolarHBondContact NE2-NE2 3.42Å; Q137-H828 VanDerWaalsContact NE2-NE2 3.14Å; S432-H828 PolarHBondContact OG-O 3.26Å; Y812-H828 AromaticContact CD1-ND1 3.89Å; Y812-H828 AromaticContact CD2-ND1 3.44Å; Y812-H828 WeakPolarHBondContact CD2-ND1 3.32Å; Y812-H828 AromaticContact CE2-CE1 3.88Å; Y812-H828 AromaticContact CE2-ND1 3.6Å; Y812-H828 HydrophobicContact CG-CB 4.18Å; Y812-H828 AromaticContact CG-ND1 3.61Å; Y812-H828 AromaticContact CZ-ND1 3.88Å; W814-H828 HydrophobicContact CD2-CB 4.03Å; W814-H828 HydrophobicContact CE3-CB 3.92Å; W814-H828 AromaticContact CE3-CD2 3.67Å; W814-H828 AromaticContact CH2-CD2 3.27Å; W814-H828 WeakPolarHBondContact CH2-CD2 3.23Å; W814-H828 AromaticContact CH2-CG 3.91Å; W814-H828 AromaticContact CH2-NE2 3.73Å; W814-H828 HydrophobicContact CZ3-CB 4.22Å; W814-H828 AromaticContact CZ3-CD2 3.08Å; W814-H828 WeakPolarHBondContact CZ3-CD2 3.26Å; W814-H828 AromaticContact CZ3-CG 3.85Å; W814-H828 AromaticContact CZ3-NE2 3.9Å
829	P	96.3	Very high	97.1	Very high	3 Å²	3	22.4 Å²	22.4	2%	0.019	13%	0.13	C	C	.	.	S	Bend	cis	-65.7	126.8	-12.2	27.5	-31.6	0	0	0	110.9	Y144 S430 Y812	Y144-P829 HydrophobicContact CE1-CG 4.29Å; Y144-P829 HydrophobicContact CE2-CG 3.99Å; Y144-P829 VanDerWaalsContact CZ-CD 3.41Å; Y144-P829 WeakPolarHBondContact OH-CD 3.27Å; S430-P829 WeakPolarHBondContact CA-O 3.28Å; S430-P829 WeakPolarHBondContact CB-O 3.33Å; S430-P829 PolarHBondContact OG-O 2.89Å; Y812-P829 HydrophobicContact CD1-CB 4.04Å
830	F	98.1	Very high	97.1	Very high	1 Å²	1	22.2 Å²	22.2	0%	0.004	13%	0.129	C	C	.	.			trans	-105.2	78.7	175.5	-162.5	-84.7	0	0	0	109	P429 F434 I813 E815 G832 W833 S834	P429-F830 HydrophobicContact CB-CD2 4.36Å; P429-F830 HydrophobicContact CB-CE2 3.55Å; P429-F830 HydrophobicContact CB-CZ 3.68Å; P429-F830 WeakPolarHBondContact O-CA 3.49Å; F434-F830 HydrophobicContact CD2-CE2 4.32Å; I813-F830 WeakPolarHBondContact CG2-O 3.42Å; I813-F830 PolarHBondContact O-N 3.48Å; E815-F830 VanDerWaalsContact CA-CG 3.44Å; E815-F830 HydrophobicContact CB-CB 4.03Å; E815-F830 HydrophobicContact CB-CD1 4.32Å; E815-F830 HydrophobicContact CB-CD2 3.64Å; E815-F830 HydrophobicContact CB-CE2 4.13Å; E815-F830 HydrophobicContact CB-CG 3.74Å; E815-F830 HydrophobicContact CG-CD2 3.91Å; E815-F830 HydrophobicContact CG-CE2 3.87Å; E815-F830 HydrophobicContact CG-CG 4.32Å; E815-F830 HydrophobicContact CG-CZ 4.28Å; E815-F830 VanDerWaalsContact N-CB 3.31Å; F830-G832 VanDerWaalsContact C-N 3.26Å; F830-W833 AromaticContact CD1-NE1 3.98Å; F830-W833 AromaticContact CE1-CD1 3.69Å; F830-W833 AromaticContact CE1-CD2 3.66Å; F830-W833 HydrophobicContact CE1-CD2 3.66Å; F830-W833 AromaticContact CE1-CE2 3.27Å; F830-W833 HydrophobicContact CE1-CE3 4.37Å; F830-W833 AromaticContact CE1-CG 3.84Å; F830-W833 HydrophobicContact CE1-CG 3.84Å; F830-W833 HydrophobicContact CE1-CH2 4.34Å; F830-W833 AromaticContact CE1-CZ2 3.59Å; F830-W833 HydrophobicContact CE1-CZ2 3.59Å; F830-W833 AromaticContact CE1-NE1 3.32Å; F830-W833 VanDerWaalsContact CE1-NE1 3.32Å; F830-W833 HydrophobicContact CE2-CZ2 4.32Å; F830-W833 HydrophobicContact CZ-CD2 4Å; F830-W833 AromaticContact CZ-CE2 3.55Å; F830-W833 HydrophobicContact CZ-CE3 4.31Å; F830-W833 AromaticContact CZ-CH2 3.75Å; F830-W833 HydrophobicContact CZ-CH2 3.75Å; F830-W833 AromaticContact CZ-CZ2 3.34Å; F830-W833 HydrophobicContact CZ-CZ2 3.34Å; F830-W833 HydrophobicContact CZ-CZ3 4.22Å; F830-S834 WeakPolarHBondContact O-CB 3.42Å
831	T	94.2	Very high	97.2	Very high	5 Å²	5	19.7 Å²	19.7	3%	0.031	10%	0.102	C	C	.	.			trans	-97.4	25.2	178.1	53.2	0	0	0	0	111.7	N394 M395 P429 I813 S835	N394-T831 HydrophobicContact CB-CG2 3.32Å; N394-T831 WeakPolarHBondContact CB-OG1 3.25Å; M395-T831 WeakPolarHBondContact CB-O 3.16Å; M395-T831 VanDerWaalsContact CE-O 3.26Å; M395-T831 WeakPolarHBondContact CE-O 3.46Å; P429-T831 PolarHBondContact O-N 2.87Å; I813-T831 HydrophobicContact CB-CG2 4.24Å; I813-T831 HydrophobicContact CD1-CG2 4.09Å; I813-T831 HydrophobicContact CG1-CG2 4.5Å; T831-S835 VanDerWaalsContact C-OG 3.28Å; T831-S835 VanDerWaalsContact CA-OG 3.32Å; T831-S835 WeakPolarHBondContact CA-OG 3.35Å; T831-S835 PolarHBondContact O-OG 2.9Å
832	G	90	Very high	97.2	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.076	C	C	.	.	S	Bend	trans	-72.1	-124.8	161	0	0	0	0	0	111.3	M395 P429 H445 F830 S834 S835	M395-G832 WeakPolarHBondContact CE-O 3.26Å; P429-G832 PolarHBondContact O-N 3.28Å; P429-G832 VanDerWaalsContact O-N 3.15Å; H445-G832 WeakPolarHBondContact CD2-CA 3.39Å; H445-G832 WeakPolarHBondContact NE2-CA 3.27Å; F830-G832 VanDerWaalsContact C-N 3.26Å; G832-S834 PolarHBondContact O-N 3.48Å; G832-S835 WeakPolarHBondContact O-CB 3.47Å; G832-S835 PolarHBondContact O-N 2.85Å; G832-S835 VanDerWaalsContact O-N 3.12Å; G832-S835 PolarHBondContact O-OG 2.77Å
833	W	97.3	Very high	97.2	Very high	7 Å²	7	18.2 Å²	18.2	3%	0.027	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-59.2	-21.8	-176.7	62.9	54.3	0	0	0	114.9	W440 D441 F444 W763 N765 E815 F830 S835 L836	W440-W833 AromaticContact CE2-CZ3 3.75Å; W440-W833 HydrophobicContact CH2-CE3 4.28Å; W440-W833 HydrophobicContact CH2-CH2 4.2Å; W440-W833 AromaticContact CH2-CZ3 3.67Å; W440-W833 HydrophobicContact CH2-CZ3 3.67Å; W440-W833 HydrophobicContact CZ2-CE3 4.13Å; W440-W833 AromaticContact CZ2-CH2 3.67Å; W440-W833 HydrophobicContact CZ2-CH2 3.67Å; W440-W833 AromaticContact CZ2-CZ3 3.17Å; W440-W833 HydrophobicContact CZ2-CZ3 3.17Å; D441-W833 WeakPolarHBondContact OD1-CZ3 3.38Å; F444-W833 HydrophobicContact CB-CB 3.91Å; F444-W833 HydrophobicContact CG-CB 4.32Å; W763-W833 AromaticContact CE3-CE2 3.92Å; W763-W833 HydrophobicContact CE3-CH2 4.06Å; W763-W833 AromaticContact CE3-CZ2 3.29Å; W763-W833 HydrophobicContact CE3-CZ2 3.29Å; W763-W833 AromaticContact CZ3-CH2 3.82Å; W763-W833 HydrophobicContact CZ3-CH2 3.82Å; W763-W833 AromaticContact CZ3-CZ2 3.3Å; W763-W833 HydrophobicContact CZ3-CZ2 3.3Å; N765-W833 HydrophobicContact CB-CB 3.72Å; N765-W833 HydrophobicContact CB-CD2 3.76Å; N765-W833 HydrophobicContact CB-CE3 4.08Å; N765-W833 HydrophobicContact CB-CG 3.58Å; E815-W833 HydrophobicContact CG-CZ2 4.34Å; E815-W833 PolarHBondContact O-NE1 3.34Å; F830-W833 AromaticContact CD1-NE1 3.98Å; F830-W833 AromaticContact CE1-CD1 3.69Å; F830-W833 AromaticContact CE1-CD2 3.66Å; F830-W833 HydrophobicContact CE1-CD2 3.66Å; F830-W833 AromaticContact CE1-CE2 3.27Å; F830-W833 HydrophobicContact CE1-CE3 4.37Å; F830-W833 AromaticContact CE1-CG 3.84Å; F830-W833 HydrophobicContact CE1-CG 3.84Å; F830-W833 HydrophobicContact CE1-CH2 4.34Å; F830-W833 AromaticContact CE1-CZ2 3.59Å; F830-W833 HydrophobicContact CE1-CZ2 3.59Å; F830-W833 AromaticContact CE1-NE1 3.32Å; F830-W833 VanDerWaalsContact CE1-NE1 3.32Å; F830-W833 HydrophobicContact CE2-CZ2 4.32Å; F830-W833 HydrophobicContact CZ-CD2 4Å; F830-W833 AromaticContact CZ-CE2 3.55Å; F830-W833 HydrophobicContact CZ-CE3 4.31Å; F830-W833 AromaticContact CZ-CH2 3.75Å; F830-W833 HydrophobicContact CZ-CH2 3.75Å; F830-W833 AromaticContact CZ-CZ2 3.34Å; F830-W833 HydrophobicContact CZ-CZ2 3.34Å; F830-W833 HydrophobicContact CZ-CZ3 4.22Å; W833-S835 PolarHBondContact O-N 3.3Å; W833-L836 HydrophobicContact CB-CD1 4.14Å; W833-L836 WeakPolarHBondContact O-CB 3.29Å; W833-L836 WeakPolarHBondContact O-CD1 3.5Å; W833-L836 WeakPolarHBondContact O-CG 3.28Å; W833-L836 PolarHBondContact O-N 2.91Å
834	S	98.7	Very high	97.1	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.072	C	C	.	.	G	3₁₀ helix	trans	-68.7	-19.1	-178.8	-64.1	0	0	0	0	112.5	W814 F830 G832 L836 T837	W814-S834 WeakPolarHBondContact O-CB 3.46Å; W814-S834 PolarHBondContact O-OG 3.48Å; F830-S834 WeakPolarHBondContact O-CB 3.42Å; G832-S834 PolarHBondContact O-N 3.48Å; S834-L836 PolarHBondContact O-N 3.47Å; S834-T837 PolarHBondContact O-N 3.35Å; S834-T837 PolarHBondContact O-OG1 2.89Å
835	S	98.6	Very high	96.9	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	-69.7	-12.1	170.4	-54.3	0	0	0	0	113.2	A391 T831 G832 W833 T837 V838	A391-S835 PolarHBondContact O-OG 3.22Å; T831-S835 VanDerWaalsContact C-OG 3.28Å; T831-S835 VanDerWaalsContact CA-OG 3.32Å; T831-S835 WeakPolarHBondContact CA-OG 3.35Å; T831-S835 PolarHBondContact O-OG 2.9Å; G832-S835 WeakPolarHBondContact O-CB 3.47Å; G832-S835 PolarHBondContact O-N 2.85Å; G832-S835 VanDerWaalsContact O-N 3.12Å; G832-S835 PolarHBondContact O-OG 2.77Å; W833-S835 PolarHBondContact O-N 3.3Å; S835-T837 PolarHBondContact O-N 2.83Å; S835-V838 WeakPolarHBondContact O-CB 3.27Å; S835-V838 WeakPolarHBondContact O-CG2 3.18Å; S835-V838 PolarHBondContact O-N 2.93Å
836	L	98.9	Very high	96.9	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.067	C	C	.	.	G	3₁₀ helix	trans	-61.2	-13.3	171.1	-67	172	0	0	0	112.9	F444 L447 I764 Y768 W833 S834 V838 L839 M840	F444-L836 HydrophobicContact CB-CD1 4.03Å; F444-L836 HydrophobicContact CD1-CD1 3.72Å; F444-L836 HydrophobicContact CG-CD1 4.24Å; F444-L836 WeakPolarHBondContact O-CD2 3.5Å; L447-L836 HydrophobicContact CB-CD2 3.92Å; L447-L836 HydrophobicContact CD1-CD2 4.33Å; I764-L836 HydrophobicContact CG2-CB 4.41Å; Y768-L836 HydrophobicContact CD1-CD1 3.99Å; Y768-L836 HydrophobicContact CD2-CB 3.86Å; Y768-L836 HydrophobicContact CD2-CD1 4.35Å; Y768-L836 HydrophobicContact CD2-CD2 4.41Å; Y768-L836 HydrophobicContact CD2-CG 4.45Å; Y768-L836 HydrophobicContact CE2-CD2 4.4Å; Y768-L836 HydrophobicContact CG-CB 4.07Å; Y768-L836 HydrophobicContact CG-CD1 3.82Å; Y768-L836 HydrophobicContact CG-CG 4.4Å; W833-L836 HydrophobicContact CB-CD1 4.14Å; W833-L836 WeakPolarHBondContact O-CB 3.29Å; W833-L836 WeakPolarHBondContact O-CD1 3.5Å; W833-L836 WeakPolarHBondContact O-CG 3.28Å; W833-L836 PolarHBondContact O-N 2.91Å; S834-L836 PolarHBondContact O-N 3.47Å; L836-V838 PolarHBondContact O-N 3.27Å; L836-L839 HydrophobicContact CD2-CD1 3.63Å; L836-L839 HydrophobicContact CD2-CG 4.31Å; L836-L839 WeakPolarHBondContact O-CB 3.24Å; L836-L839 PolarHBondContact O-N 3.46Å; L836-M840 PolarHBondContact O-N 3.42Å
837	T	98.7	Very high	97	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-51.8	-33.7	165.6	-51.1	0	0	0	0	111.9	F387 I800 V803 S834 S835 M840 M841	F387-T837 HydrophobicContact CE1-CG2 3.93Å; F387-T837 HydrophobicContact CZ-CG2 3.98Å; I800-T837 HydrophobicContact CG1-CG2 4.09Å; V803-T837 HydrophobicContact CB-CG2 4.24Å; V803-T837 HydrophobicContact CG1-CG2 4.32Å; S834-T837 PolarHBondContact O-N 3.35Å; S834-T837 PolarHBondContact O-OG1 2.89Å; S835-T837 PolarHBondContact O-N 2.83Å; T837-M840 PolarHBondContact O-N 3.23Å; T837-M841 HydrophobicContact CG2-SD 4.49Å; T837-M841 VanDerWaalsContact O-CG 3.26Å; T837-M841 WeakPolarHBondContact O-CG 3.48Å; T837-M841 PolarHBondContact O-N 3.25Å
838	V	98.8	Very high	97.1	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-62.2	-43.2	174.5	179.9	0	0	0	0	111.6	F373 A388 A391 L448 S835 L836 M841 A842	F373-V838 HydrophobicContact CD1-CG1 3.91Å; F373-V838 HydrophobicContact CE1-CG1 3.92Å; F373-V838 HydrophobicContact CG-CG1 4.26Å; F373-V838 HydrophobicContact CZ-CG1 4.28Å; A388-V838 HydrophobicContact CB-CG1 4.44Å; A388-V838 HydrophobicContact CB-CG2 4.07Å; A391-V838 HydrophobicContact CB-CG2 3.67Å; L448-V838 HydrophobicContact CD1-CB 4.07Å; L448-V838 HydrophobicContact CD1-CG1 3.97Å; L448-V838 HydrophobicContact CD2-CB 4.4Å; S835-V838 WeakPolarHBondContact O-CB 3.27Å; S835-V838 WeakPolarHBondContact O-CG2 3.18Å; S835-V838 PolarHBondContact O-N 2.93Å; L836-V838 PolarHBondContact O-N 3.27Å; V838-M841 PolarHBondContact O-N 3Å; V838-A842 WeakPolarHBondContact O-CB 3.3Å; V838-A842 PolarHBondContact O-N 3.48Å
839	L	98.8	Very high	97.2	Very high	1 Å²	1	10.4 Å²	10.4	1%	0.005	5%	0.047	C	C	.	.	H	α-helix	trans	-67.1	-37.8	176.5	-65.6	-170.7	0	0	0	111.6	F373 L447 L448 K451 Y768 L836 A842 E843 H844	F373-L839 HydrophobicContact CE1-CD2 4.11Å; L447-L839 HydrophobicContact CB-CD1 3.96Å; L448-L839 HydrophobicContact CB-CD1 4.47Å; L448-L839 HydrophobicContact CB-CG 4.39Å; L448-L839 HydrophobicContact CD1-CD2 3.67Å; L448-L839 HydrophobicContact CD1-CG 4.01Å; K451-L839 HydrophobicContact CG-CD2 3.98Å; Y768-L839 HydrophobicContact CD2-CB 4.48Å; Y768-L839 HydrophobicContact CE2-CB 3.78Å; Y768-L839 HydrophobicContact CE2-CD1 3.93Å; L836-L839 HydrophobicContact CD2-CD1 3.63Å; L836-L839 HydrophobicContact CD2-CG 4.31Å; L836-L839 WeakPolarHBondContact O-CB 3.24Å; L836-L839 PolarHBondContact O-N 3.46Å; L839-A842 CarbonylContact O-C 3.58Å; L839-A842 PolarHBondContact O-N 3.04Å; L839-E843 WeakPolarHBondContact O-CA 3.49Å; L839-E843 PolarHBondContact O-N 3.21Å; L839-H844 WeakPolarHBondContact CB-O 3.44Å; L839-H844 HydrophobicContact CD2-CB 4.15Å; L839-H844 PolarHBondContact O-N 2.95Å
840	M	98.8	Very high	97.3	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-63.4	-42.4	172.7	-68	-173.2	-77.6	0	0	111.7	I764 Y768 V771 R796 I799 I800 L836 T837 A842 E843 Y845	I764-M840 HydrophobicContact CG2-CE 3.89Å; Y768-M840 HydrophobicContact CD2-CG 4.02Å; V771-M840 HydrophobicContact CB-SD 4.09Å; V771-M840 HydrophobicContact CG1-CG 4.2Å; V771-M840 HydrophobicContact CG1-SD 4.25Å; V771-M840 HydrophobicContact CG2-SD 3.86Å; R796-M840 PolarHBondContact NE-O 3.06Å; R796-M840 PolarHBondContact NH2-O 2.78Å; I799-M840 HydrophobicContact CB-CE 4.42Å; I799-M840 HydrophobicContact CD1-SD 4.09Å; I799-M840 HydrophobicContact CG2-CE 3.51Å; I799-M840 HydrophobicContact CG2-SD 4.29Å; I800-M840 HydrophobicContact CD1-CB 4.43Å; I800-M840 HydrophobicContact CG1-CB 4.46Å; L836-M840 PolarHBondContact O-N 3.42Å; T837-M840 PolarHBondContact O-N 3.23Å; M840-A842 VanDerWaalsContact C-N 3.35Å; M840-A842 PolarHBondContact O-N 3.13Å; M840-E843 PolarHBondContact O-N 3.21Å; M840-Y845 HydrophobicContact CG-CE1 4.27Å
841	M	98.8	Very high	97.2	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-60.6	-44.6	174.6	-68.6	170.1	76.7	0	0	111.4	L375 F380 H384 F387 A388 R796 I800 T837 V838 E843	L375-M841 HydrophobicContact CD1-CE 3.97Å; L375-M841 HydrophobicContact CD2-CB 3.78Å; F380-M841 HydrophobicContact CD1-CE 3.57Å; F380-M841 HydrophobicContact CE1-CB 4.26Å; F380-M841 HydrophobicContact CE1-CE 3.72Å; F380-M841 HydrophobicContact CE1-CG 4Å; F380-M841 HydrophobicContact CE2-CB 4.01Å; F380-M841 VanDerWaalsContact CE2-O 3.26Å; F380-M841 WeakPolarHBondContact CE2-O 3.26Å; F380-M841 HydrophobicContact CG-CE 4.02Å; F380-M841 HydrophobicContact CZ-CB 3.73Å; F380-M841 HydrophobicContact CZ-CE 4.29Å; F380-M841 HydrophobicContact CZ-CG 3.93Å; H384-M841 HydrophobicContact CB-CE 3.91Å; F387-M841 HydrophobicContact CD1-CE 4.44Å; F387-M841 HydrophobicContact CD1-SD 3.96Å; F387-M841 HydrophobicContact CE1-SD 3.74Å; A388-M841 HydrophobicContact CB-CE 4.17Å; A388-M841 HydrophobicContact CB-SD 4.06Å; R796-M841 PolarHBondContact NH2-O 3.48Å; I800-M841 HydrophobicContact CD1-CB 4.42Å; I800-M841 HydrophobicContact CD1-CG 3.76Å; I800-M841 HydrophobicContact CG1-CG 3.89Å; I800-M841 HydrophobicContact CG2-CG 3.92Å; I800-M841 HydrophobicContact CG2-SD 4.44Å; T837-M841 HydrophobicContact CG2-SD 4.49Å; T837-M841 VanDerWaalsContact O-CG 3.26Å; T837-M841 WeakPolarHBondContact O-CG 3.48Å; T837-M841 PolarHBondContact O-N 3.25Å; V838-M841 PolarHBondContact O-N 3Å; M841-E843 VanDerWaalsContact C-N 3.28Å; M841-E843 PolarHBondContact O-N 3.2Å
842	A	98.6	Very high	97.4	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-74.5	-14.6	178.3	0	0	0	0	0	114	F373 L375 K378 V838 L839 M840 H844	F373-A842 HydrophobicContact CB-CB 4.14Å; F373-A842 HydrophobicContact CD1-CB 3.94Å; L375-A842 HydrophobicContact CD2-CB 4.17Å; K378-A842 WeakPolarHBondContact CE-O 3.25Å; K378-A842 PolarHBondContact NZ-O 2.82Å; V838-A842 WeakPolarHBondContact O-CB 3.3Å; V838-A842 PolarHBondContact O-N 3.48Å; L839-A842 CarbonylContact O-C 3.58Å; L839-A842 PolarHBondContact O-N 3.04Å; M840-A842 VanDerWaalsContact C-N 3.35Å; M840-A842 PolarHBondContact O-N 3.13Å; A842-H844 VanDerWaalsContact C-N 3.3Å; A842-H844 HydrophobicContact CB-CB 4.45Å; A842-H844 PolarHBondContact O-CD2 2.99Å
843	E	98.1	Very high	98	Very high	61 Å²	61	12.8 Å²	12.8	29%	0.285	6%	0.057	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	40.7	-173.1	-54	173.6	121.9	0	0	112.2	K378 Y792 R796 L839 M840 M841 Y845	K378-E843 IonicContact NZ-OE2 3.28Å; K378-E843 PolarHBondContact NZ-OE2 3.12Å; Y792-E843 WeakPolarHBondContact OH-CG 3.48Å; Y792-E843 PolarHBondContact OH-OE1 2.95Å; Y792-E843 VanDerWaalsContact OH-OE1 3.11Å; R796-E843 IonicContact CZ-OE1 3.17Å; R796-E843 IonicContact NE-OE1 3.35Å; R796-E843 IonicContact NH1-OE1 3.01Å; R796-E843 IonicContact NH2-OE1 3.68Å; L839-E843 WeakPolarHBondContact O-CA 3.49Å; L839-E843 PolarHBondContact O-N 3.21Å; M840-E843 PolarHBondContact O-N 3.21Å; M841-E843 VanDerWaalsContact C-N 3.28Å; M841-E843 PolarHBondContact O-N 3.2Å; E843-Y845 HydrophobicContact CB-CE2 3.98Å
844	H	96.2	Very high	98	Very high	57 Å²	57	13.3 Å²	13.3	26%	0.264	6%	0.06	S	C	.	.			trans	-103.7	111.5	176.3	-69	-169	0	0	0	108.4	I372 L839 A842	I372-H844 PolarHBondContact O-CE1 3.03Å; L839-H844 WeakPolarHBondContact CB-O 3.44Å; L839-H844 HydrophobicContact CD2-CB 4.15Å; L839-H844 PolarHBondContact O-N 2.95Å; A842-H844 VanDerWaalsContact C-N 3.3Å; A842-H844 HydrophobicContact CB-CB 4.45Å; A842-H844 PolarHBondContact O-CD2 2.99Å
845	Y	93.7	Very high	98	Very high	41 Å²	41	14.5 Å²	14.5	16%	0.161	7%	0.065	C	C	.	.			trans	-123.5	0	-169.1	-63.4	-58.5	0	0	0	114.6	Y768 V771 R772 Y775 Y792 M840 E843	Y768-Y845 HydrophobicContact CE2-CD1 4.11Å; Y768-Y845 PolarHBondContact OH-OXT 3.09Å; Y768-Y845 VanDerWaalsContact OH-OXT 3.13Å; V771-Y845 HydrophobicContact CG1-CE1 3.6Å; V771-Y845 WeakPolarHBondContact CG1-OH 3.14Å; R772-Y845 HydrophobicContact CB-CD1 3.88Å; R772-Y845 HydrophobicContact CB-CG 4.18Å; R772-Y845 WeakPolarHBondContact CD-OXT 3.32Å; R772-Y845 HydrophobicContact CG-CG 4.48Å; Y775-Y845 AromaticContact CD1-CD2 3.61Å; Y775-Y845 HydrophobicContact CD1-CD2 3.61Å; Y775-Y845 HydrophobicContact CD1-CE2 4.19Å; Y775-Y845 HydrophobicContact CD2-CD2 4.08Å; Y775-Y845 AromaticContact CD2-CE2 3.8Å; Y775-Y845 HydrophobicContact CD2-CE2 3.8Å; Y775-Y845 HydrophobicContact CE1-CD2 4.13Å; Y775-Y845 HydrophobicContact CE2-CE2 4.33Å; Y775-Y845 AromaticContact CG-CD2 3.57Å; Y775-Y845 HydrophobicContact CG-CD2 3.57Å; Y775-Y845 AromaticContact CG-CE2 3.7Å; Y775-Y845 HydrophobicContact CG-CE2 3.7Å; Y792-Y845 AromaticContact CE2-CE2 3.79Å; Y792-Y845 HydrophobicContact CE2-CE2 3.79Å; Y792-Y845 AromaticContact CE2-CZ 3.72Å; Y792-Y845 VanDerWaalsContact CE2-OH 3.29Å; Y792-Y845 WeakPolarHBondContact CE2-OH 3.23Å; Y792-Y845 AromaticContact CZ-CE2 3.98Å; Y792-Y845 WeakPolarHBondContact OH-CE2 3.47Å; Y792-Y845 PolarHBondContact OH-OH 2.91Å; M840-Y845 HydrophobicContact CG-CE1 4.27Å; E843-Y845 HydrophobicContact CB-CE2 3.98Å

Retrieved 845 of 845 residues in 328.5 ms (Link to these results)

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