A0A087YKZ5_POEFO Loading...

Exostosin-like 3

Glycosyltransferase which regulates the biosynthesis of heparan sulfate (HS). Initiates HS synthesis by transferring the first N-acetyl-alpha-D-glucosamine (alpha-GlcNAc) residue (GlcNAcT-I activity) to the tetrasaccharide linker (GlcA-Gal-Gal-Xyl-)Ser core linker. May also transfer alpha-GlcNAc residues during HS elongation (GlcNAcT-II activity). Lacks glucuronyl transferase II (GlcAT-II) activity. Important for both skeletal development and hematopoiesis, through the formation of HS proteoglycans (HSPGs). Through the synthesis of HS, regulates postnatal pancreatic islet maturation and insulin secretion. Receptor for REG3A, REG3B and REG3G, induces the activation of downstream signaling pathways such as PI3K-AKT or RAS-RAF-MEK-ERK signaling pathway. Required for the function of REG3A in regulating keratinocyte proliferation and differentiation. Required for the inhibition of skin inflammation mediated by REG3A through the activation of PI3K-AKT-STAT3 pathway. Required for the function of REG3A and REG3G in glucose tolerance in pancreas. Expressed in microglia, is activated by nociceptor-derived REG3G in response to endotoxins, leading to the inhibition of kynurenine pathway to prevent endotoxic death.

AlphaFold DB , UniProt , Accession A0A087YKZ5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 915 aa.

						>A0A087YKZ5_POEFO|A0A087YKZ5
TMQRNGGGVGGGGQTWVLRRVRLTWLSFMLFFILVFFPLIAHYYLTTIDEAGGPDKRIFGPRPGGELCEAKHVQDLCRIRESVSEELLQLEAKRQELNGEIARLNLRIEACKRSIDSAKQDLLQLKNVISQTEHSYKELMAQNQPKLSLPVRLLPDKEDPGLPPPKSPRSCRLRSCFDYARCPLTSGFPVYVYDTSSYAWGNNLDPLVKQAFAASVKSNIYVTDNPSIACLYLVLVGEILESSPLPSPSELEKQLKALPYWRSDGHNHVLVHFSRKSMTQNFLYNVSTGRAAVAQSTFLEQQYREGFDLVVSPLVHALSEPNFLEVPPQVPVKRKYLFTFQGERVESLRSSLQEAPPQSFEEELQGDPPADYDDRIIGTLKAVQDSHLDQVLVEFTCKNPKPSLPTEWALCGEREDRLEVLKASTFALVIAPGDGQLVASAGCGMRLFEALEVGAIPVMLGDHSRLPYHQFIRWTEATIIVPKPRVTELHFLLRSLSDNDMLAMRRQGRFLWETYFSTSENVLNTILASIRTSIQVPAAPIKDEPAHEIPHKAGKLAGTDANLADNGDLDLGPVETEPPYASPCFLRNFTYTAADTYRSWNRAPGPFHLFPHTPLDPVLPSEAKFLGSGTGFRPIGGGSGGSGKEFQAALGGNVPREQFTVVMLTYEREEVLMNSLERLNGLPYLNKVVVVWNSPKPPSDDLLWPDIGLPIVVVRTEKNSLNNRFLPWDVVETEAILSIDDDAHLRHDEIMFGFRVWREARDRIVGFPGRYHAWDVNHQSWLYNSNYSCELSMVLTGAAFFHKYYAYLYSYVMPQAIRDMVDEYINCEDIAMNFLVSHITRKPPIKVTSRWTFRCPGCPQALSHDDSHFHERHKCINFFVKVYGYMPLLYTQFRVDSVLFKTRLPHDKTKCFKFI
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	T	33.3	Very low	30.3	Very low	188 Å²	188	128.7 Å²	128.7	100%	1.153	85%	0.845	S	S	*	*				0	116.5	0	16.8	0	0	0	0	108.4
2	M	29.6	Very low	30.2	Very low	165 Å²	165	125.3 Å²	125.3	81%	0.813	85%	0.851	S	S	*	*			trans	44.5	144.4	155.5	-68.9	179.2	142.1	0	0	120.2
3	Q	31.6	Very low	30.2	Very low	148 Å²	148	121.5 Å²	121.5	69%	0.692	85%	0.845	S	S	*	*			cis	-176.1	130	-6.4	-110	175.5	-23.9	0	0	102.7
4	R	34	Very low	30.3	Very low	208 Å²	208	127.3 Å²	127.3	79%	0.785	85%	0.852	S	S	*	*				77.3	126.7	93.7	-140.1	-168.7	-173.9	173.1	3.6	116.7
5	N	32.8	Very low	30.5	Very low	150 Å²	150	126.9 Å²	126.9	80%	0.802	85%	0.845	S	S	*	*			trans	70.5	143.6	157.6	-67.1	-10.2	0	0	0	118.1
6	G	28.4	Very low	30.7	Very low	75 Å²	75	134.6 Å²	134.6	77%	0.773	85%	0.851	S	S	*	*			cis	156.4	151.8	5.8	0	0	0	0	0	109.7
7	G	28	Very low	30.9	Very low	88 Å²	88	133 Å²	133	91%	0.907	84%	0.84	S	S	*	*			trans	92.4	140.7	172.5	0	0	0	0	0	114.3
8	G	27.7	Very low	31.3	Very low	71 Å²	71	135.9 Å²	135.9	73%	0.732	85%	0.847	S	S	*	*			cis	152.2	120.1	7.4	0	0	0	0	0	108.9
9	V	29.9	Very low	31.9	Very low	162 Å²	162	140.4 Å²	140.4	98%	0.982	85%	0.846	S	S	*	*			trans	68.6	125.2	151.9	-171.4	0	0	0	0	120.9
10	G	30.8	Very low	32.8	Very low	77 Å²	77	145.5 Å²	145.5	79%	0.794	85%	0.85	S	S	*	*			trans	142.5	118	160	0	0	0	0	0	109.6
11	G	27.3	Very low	33.6	Very low	84 Å²	84	143.3 Å²	143.3	87%	0.866	84%	0.838	S	S	*	*			cis	130.6	107.3	19.2	0	0	0	0	0	107.6
12	G	29.6	Very low	34.7	Very low	88 Å²	88	143.8 Å²	143.8	91%	0.907	82%	0.818	S	S	*	*			trans	103.5	121.4	176	0	0	0	0	0	113.1
13	G	29	Very low	36.1	Very low	75 Å²	75	143 Å²	143	77%	0.773	82%	0.817	S	S	*	*			cis	126.2	92.6	16.1	0	0	0	0	0	108.7
14	Q	31.9	Very low	37.6	Very low	203 Å²	203	140.8 Å²	140.8	95%	0.949	81%	0.814	S	S	*	*			trans	-158.5	113.5	149.7	-110.9	178.2	14.5	0	0	110.6
15	T	33.7	Very low	39	Very low	122 Å²	122	138.7 Å²	138.7	75%	0.748	81%	0.806	S	S	*	*			trans	-89.9	141.6	179.1	44.6	0	0	0	0	111.2
16	W	32.9	Very low	40.6	Very low	249 Å²	249	136.6 Å²	136.6	94%	0.943	79%	0.794	S	S	*	*			trans	-141.6	91	146.3	-102.8	80.6	0	0	0	112
17	V	34.8	Very low	42.4	Very low	108 Å²	108	137 Å²	137	66%	0.655	79%	0.785	S	S	*	*			trans	45.5	94.6	135.4	-166.4	0	0	0	0	119.1	R19	V17-R19 HydrophobicContact CG1-CB 4.39Å
18	L	38	Very low	44.4	Very low	185 Å²	185	139 Å²	139	97%	0.969	77%	0.769	S	S	*	*			trans	-94.7	102.8	151.9	-95.2	156.4	0	0	0	109.1	R20	L18-R20 PolarHBondContact O-N 2.88Å
19	R	42.6	Very low	46.4	Very low	222 Å²	222	139.5 Å²	139.5	84%	0.838	75%	0.753	S	S	*	*			trans	-80.3	112.4	178.6	-143.5	177.3	-172.2	-174.9	2.4	109	V17 V21	V17-R19 HydrophobicContact CG1-CB 4.39Å; R19-V21 PolarHBondContact O-N 2.62Å
20	R	50.5	Low	48.5	Very low	242 Å²	242	137.1 Å²	137.1	91%	0.913	73%	0.734	S	S	*	*			trans	-53.6	103.3	163.3	-82.7	178.1	172.9	179.7	-3	109.6	L18	L18-R20 PolarHBondContact O-N 2.88Å
21	V	50.2	Low	50.5	Low	99 Å²	99	139.2 Å²	139.2	60%	0.6	72%	0.722	S	S	*	*			trans	-87.2	113.5	160.9	179.1	0	0	0	0	106.7	R19 L23	R19-V21 PolarHBondContact O-N 2.62Å; V21-L23 PolarHBondContact O-N 3.14Å
22	R	55.6	Low	52.5	Low	198 Å²	198	140 Å²	140	75%	0.747	70%	0.702	S	S	*	*			trans	-66.5	122.9	-177.8	-69.7	177	173.6	165.3	-3.1	109.2	T24 W25	R22-T24 PolarHBondContact O-N 3.3Å; R22-W25 PolarHBondContact O-N 3.05Å
23	L	58.1	Low	54.6	Low	149 Å²	149	140.9 Å²	140.9	78%	0.78	69%	0.685	S	S	*	*	H	α-helix	trans	-47.6	-24.8	175.3	-148.4	82.5	0	0	0	113.4	V21 W25 S27	V21-L23 PolarHBondContact O-N 3.14Å; L23-W25 VanDerWaalsContact C-N 3.33Å; L23-W25 PolarHBondContact O-N 3.09Å; L23-S27 PolarHBondContact O-N 3.01Å
24	T	64.4	Low	56.7	Low	102 Å²	102	143 Å²	143	63%	0.626	68%	0.677	S	S	*	*	H	α-helix	trans	-66.2	-28.3	176.4	57.3	0	0	0	0	113.7	R22 F28	R22-T24 PolarHBondContact O-N 3.3Å; T24-F28 WeakPolarHBondContact O-CB 3.28Å; T24-F28 PolarHBondContact O-N 3.21Å; T24-F28 VanDerWaalsContact O-N 3.16Å
25	W	62.1	Low	58.6	Low	163 Å²	163	136.1 Å²	136.1	62%	0.617	65%	0.649	S	S	*	*	H	α-helix	trans	-79.8	-34.6	-179.9	-160	67.2	0	0	0	112.3	R22 L23 M29	R22-W25 PolarHBondContact O-N 3.05Å; L23-W25 VanDerWaalsContact C-N 3.33Å; L23-W25 PolarHBondContact O-N 3.09Å; W25-M29 HydrophobicContact CH2-CE 4.16Å; W25-M29 HydrophobicContact CZ2-CE 3.63Å; W25-M29 WeakPolarHBondContact O-CG 3.5Å; W25-M29 PolarHBondContact O-N 3.24Å
26	L	66.9	Low	60.3	Low	106 Å²	106	134.8 Å²	134.8	56%	0.555	63%	0.633	S	S	*	*	H	α-helix	trans	-68.5	-40.1	172.4	-86.3	158.1	0	0	0	111.7	M29 L30	L26-M29 PolarHBondContact O-N 2.94Å; L26-L30 WeakPolarHBondContact O-CB 3.47Å; L26-L30 PolarHBondContact O-N 3.48Å
27	S	67.1	Low	62	Low	84 Å²	84	130 Å²	130	59%	0.587	62%	0.619	S	S	*	*	H	α-helix	trans	-66.5	-37.3	175.9	-176.2	0	0	0	0	112.5	L23 F31	L23-S27 PolarHBondContact O-N 3.01Å; S27-F31 WeakPolarHBondContact O-CB 3.32Å; S27-F31 PolarHBondContact O-N 3.43Å
28	F	70.1	Confident	63.6	Low	131 Å²	131	128.3 Å²	128.3	58%	0.575	61%	0.611	S	S	*	*	H	α-helix	trans	-68.7	-40.1	175.2	-162.8	-95.7	0	0	0	112.5	T24 F31 F32	T24-F28 WeakPolarHBondContact O-CB 3.28Å; T24-F28 PolarHBondContact O-N 3.21Å; T24-F28 VanDerWaalsContact O-N 3.16Å; F28-F31 PolarHBondContact O-N 2.86Å; F28-F32 HydrophobicContact CE1-CD2 4.43Å; F28-F32 WeakPolarHBondContact O-CB 3.37Å; F28-F32 PolarHBondContact O-N 3.47Å
29	M	69.5	Low	64.9	Low	81 Å²	81	124.7 Å²	124.7	40%	0.399	59%	0.591	S	S	.	*	H	α-helix	trans	-66.7	-39.2	175	-76.8	-67.3	174.7	0	0	112.4	W25 L26 F32 I33	W25-M29 HydrophobicContact CH2-CE 4.16Å; W25-M29 HydrophobicContact CZ2-CE 3.63Å; W25-M29 WeakPolarHBondContact O-CG 3.5Å; W25-M29 PolarHBondContact O-N 3.24Å; L26-M29 PolarHBondContact O-N 2.94Å; M29-F32 PolarHBondContact O-N 3.26Å; M29-I33 VanDerWaalsContact O-CG1 3.27Å; M29-I33 WeakPolarHBondContact O-CG1 3.44Å; M29-I33 PolarHBondContact O-N 3.09Å
30	L	73.6	Confident	66.1	Low	111 Å²	111	118.2 Å²	118.2	58%	0.581	57%	0.572	S	S	*	*	H	α-helix	trans	-67.1	-38.5	176.9	-146.3	98.2	0	0	0	111.8	L26 I33 L34	L26-L30 WeakPolarHBondContact O-CB 3.47Å; L26-L30 PolarHBondContact O-N 3.48Å; L30-I33 PolarHBondContact O-N 3.47Å; L30-L34 HydrophobicContact CD2-CD1 3.84Å; L30-L34 HydrophobicContact CG-CD1 4.11Å; L30-L34 WeakPolarHBondContact O-CB 3.49Å; L30-L34 WeakPolarHBondContact O-CG 3.46Å; L30-L34 PolarHBondContact O-N 3.44Å
31	F	72.7	Confident	66.9	Low	122 Å²	122	108.8 Å²	108.8	54%	0.535	55%	0.547	S	S	.	.	H	α-helix	trans	-66	-40.4	174.1	-177.7	-100.5	0	0	0	112.1	S27 F28 V35	S27-F31 WeakPolarHBondContact O-CB 3.32Å; S27-F31 PolarHBondContact O-N 3.43Å; F28-F31 PolarHBondContact O-N 2.86Å; F31-V35 HydrophobicContact CD2-CG2 3.99Å; F31-V35 HydrophobicContact CE2-CG2 3.77Å; F31-V35 HydrophobicContact CZ-CG2 4.14Å; F31-V35 WeakPolarHBondContact O-CB 3.27Å; F31-V35 PolarHBondContact O-N 2.96Å
32	F	70	Confident	67.6	Low	101 Å²	101	110 Å²	110	44%	0.443	55%	0.545	S	S	.	.	I	π-helix	trans	-64.5	-40.4	175.8	-146.8	-89	0	0	0	111.7	F28 M29 F36	F28-F32 HydrophobicContact CE1-CD2 4.43Å; F28-F32 WeakPolarHBondContact O-CB 3.37Å; F28-F32 PolarHBondContact O-N 3.47Å; M29-F32 PolarHBondContact O-N 3.26Å; F32-F36 HydrophobicContact CD1-CB 4.12Å; F32-F36 HydrophobicContact CD2-CD2 4.13Å; F32-F36 HydrophobicContact CE1-CB 4.11Å; F32-F36 HydrophobicContact CE1-CG 4.31Å; F32-F36 HydrophobicContact CE2-CD2 4.09Å; F32-F36 HydrophobicContact CE2-CE2 4.31Å; F32-F36 HydrophobicContact CE2-CG 4.42Å; F32-F36 HydrophobicContact CG-CD2 4.45Å; F32-F36 HydrophobicContact CZ-CD2 4.37Å; F32-F36 HydrophobicContact CZ-CG 4.24Å; F32-F36 VanDerWaalsContact O-CB 3.29Å; F32-F36 WeakPolarHBondContact O-CB 3.35Å; F32-F36 PolarHBondContact O-N 3.47Å
33	I	73.2	Confident	68.1	Low	106 Å²	106	108 Å²	108	54%	0.544	54%	0.539	S	S	.	.	I	π-helix	trans	-71.1	-41	178.3	-67.3	166.2	0	0	0	111.7	M29 L30 F37	M29-I33 VanDerWaalsContact O-CG1 3.27Å; M29-I33 WeakPolarHBondContact O-CG1 3.44Å; M29-I33 PolarHBondContact O-N 3.09Å; L30-I33 PolarHBondContact O-N 3.47Å; I33-F37 WeakPolarHBondContact O-CB 3.35Å
34	L	72.7	Confident	68.2	Low	118 Å²	118	108 Å²	108	62%	0.618	53%	0.529	S	S	*	.	I	π-helix	trans	-79.7	-22.9	-175.9	-74.1	167.3	0	0	0	114.1	L30 P38	L30-L34 HydrophobicContact CD2-CD1 3.84Å; L30-L34 HydrophobicContact CG-CD1 4.11Å; L30-L34 WeakPolarHBondContact O-CB 3.49Å; L30-L34 WeakPolarHBondContact O-CG 3.46Å; L30-L34 PolarHBondContact O-N 3.44Å; L34-P38 WeakPolarHBondContact O-CG 3.47Å
35	V	71.6	Confident	67.9	Low	59 Å²	59	108.7 Å²	108.7	36%	0.358	53%	0.529	S	S	.	.	I	π-helix	trans	-108.7	-45.8	-177.4	-178.3	0	0	0	0	112.5	F31 L39	F31-V35 HydrophobicContact CD2-CG2 3.99Å; F31-V35 HydrophobicContact CE2-CG2 3.77Å; F31-V35 HydrophobicContact CZ-CG2 4.14Å; F31-V35 WeakPolarHBondContact O-CB 3.27Å; F31-V35 PolarHBondContact O-N 2.96Å; V35-L39 HydrophobicContact CG1-CD1 4.34Å; V35-L39 WeakPolarHBondContact O-CD1 3.18Å
36	F	68.7	Low	67.5	Low	95 Å²	95	104.7 Å²	104.7	42%	0.417	52%	0.522	S	S	.	.	I	π-helix	trans	-81.6	-31.2	-176.7	-87.9	-91.5	0	0	0	113.2	F32 L39 I40	F32-F36 HydrophobicContact CD1-CB 4.12Å; F32-F36 HydrophobicContact CD2-CD2 4.13Å; F32-F36 HydrophobicContact CE1-CB 4.11Å; F32-F36 HydrophobicContact CE1-CG 4.31Å; F32-F36 HydrophobicContact CE2-CD2 4.09Å; F32-F36 HydrophobicContact CE2-CE2 4.31Å; F32-F36 HydrophobicContact CE2-CG 4.42Å; F32-F36 HydrophobicContact CG-CD2 4.45Å; F32-F36 HydrophobicContact CZ-CD2 4.37Å; F32-F36 HydrophobicContact CZ-CG 4.24Å; F32-F36 VanDerWaalsContact O-CB 3.29Å; F32-F36 WeakPolarHBondContact O-CB 3.35Å; F32-F36 PolarHBondContact O-N 3.47Å; F36-L39 PolarHBondContact O-N 3.04Å; F36-I40 WeakPolarHBondContact O-CB 3.43Å; F36-I40 VanDerWaalsContact O-CG1 3.24Å; F36-I40 WeakPolarHBondContact O-CG1 3.39Å; F36-I40 PolarHBondContact O-N 3.31Å
37	F	69.7	Low	66.8	Low	149 Å²	149	102.7 Å²	102.7	65%	0.654	52%	0.515	S	S	*	.	H	α-helix	trans	-67.6	-41.4	-179.7	-145.7	-90.7	0	0	0	113.2	I33 A41	I33-F37 WeakPolarHBondContact O-CB 3.35Å; F37-A41 VanDerWaalsContact O-CB 3.32Å; F37-A41 WeakPolarHBondContact O-CB 3.49Å; F37-A41 PolarHBondContact O-N 2.95Å
38	P	68.6	Low	66.1	Low	72 Å²	72	104.4 Å²	104.4	47%	0.468	52%	0.516	S	S	.	.	H	α-helix	trans	-67.4	-33.5	172.2	-21	34	0	0	0	113.1	L34 H42	L34-P38 WeakPolarHBondContact O-CG 3.47Å; P38-H42 VanDerWaalsContact O-CB 3.25Å; P38-H42 WeakPolarHBondContact O-CB 3.48Å; P38-H42 PolarHBondContact O-N 3.48Å
39	L	65.9	Low	64.9	Low	108 Å²	108	105.3 Å²	105.3	57%	0.565	53%	0.527	S	S	*	.	H	α-helix	trans	-69.9	-37.8	176.6	-92.1	161.2	0	0	0	112.5	V35 F36 Y43	V35-L39 HydrophobicContact CG1-CD1 4.34Å; V35-L39 WeakPolarHBondContact O-CD1 3.18Å; F36-L39 PolarHBondContact O-N 3.04Å; L39-Y43 VanDerWaalsContact O-CB 3.28Å; L39-Y43 WeakPolarHBondContact O-CB 3.38Å; L39-Y43 PolarHBondContact O-N 3.35Å
40	I	67.6	Low	63.7	Low	86 Å²	86	110.4 Å²	110.4	44%	0.441	55%	0.55	S	S	.	*	H	α-helix	trans	-71	-40.4	174	-67.4	165.3	0	0	0	110.5	F36 H42 Y43 Y44	F36-I40 WeakPolarHBondContact O-CB 3.43Å; F36-I40 VanDerWaalsContact O-CG1 3.24Å; F36-I40 WeakPolarHBondContact O-CG1 3.39Å; F36-I40 PolarHBondContact O-N 3.31Å; I40-H42 VanDerWaalsContact C-N 3.34Å; I40-Y43 PolarHBondContact O-N 3.42Å; I40-Y44 HydrophobicContact CG2-CD2 3.97Å; I40-Y44 HydrophobicContact CG2-CE2 4.24Å; I40-Y44 WeakPolarHBondContact O-CD2 3.32Å; I40-Y44 PolarHBondContact O-N 3.14Å
41	A	65.7	Low	62.3	Low	45 Å²	45	109.3 Å²	109.3	37%	0.372	56%	0.557	S	S	.	*	H	α-helix	trans	-63.5	-39.4	174	0	0	0	0	0	111.9	F37 L45	F37-A41 VanDerWaalsContact O-CB 3.32Å; F37-A41 WeakPolarHBondContact O-CB 3.49Å; F37-A41 PolarHBondContact O-N 2.95Å; A41-L45 WeakPolarHBondContact O-CB 3.33Å; A41-L45 WeakPolarHBondContact O-CD1 3.38Å; A41-L45 VanDerWaalsContact O-CG 3.32Å; A41-L45 WeakPolarHBondContact O-CG 3.28Å; A41-L45 PolarHBondContact O-N 2.98Å
42	H	65.8	Low	60.5	Low	123 Å²	123	107.1 Å²	107.1	57%	0.569	57%	0.569	S	S	*	*	H	α-helix	trans	-71.5	-37.9	176.7	-159.2	47.7	0	0	0	112.3	P38 I40 L45 T46	P38-H42 VanDerWaalsContact O-CB 3.25Å; P38-H42 WeakPolarHBondContact O-CB 3.48Å; P38-H42 PolarHBondContact O-N 3.48Å; I40-H42 VanDerWaalsContact C-N 3.34Å; H42-L45 PolarHBondContact O-N 3.47Å; H42-T46 WeakPolarHBondContact O-CG2 3.46Å; H42-T46 PolarHBondContact O-N 3.42Å; H42-T46 PolarHBondContact O-OG1 2.9Å
43	Y	66.1	Low	58.9	Low	157 Å²	157	105.7 Å²	105.7	62%	0.616	58%	0.583	S	S	*	*	H	α-helix	trans	-63.2	-42.6	172.8	-179.3	-100.1	0	0	0	112.3	L39 I40 T46 T47	L39-Y43 VanDerWaalsContact O-CB 3.28Å; L39-Y43 WeakPolarHBondContact O-CB 3.38Å; L39-Y43 PolarHBondContact O-N 3.35Å; I40-Y43 PolarHBondContact O-N 3.42Å; Y43-T46 PolarHBondContact O-OG1 3.31Å; Y43-T46 VanDerWaalsContact O-OG1 3.14Å; Y43-T47 HydrophobicContact CE1-CG2 4.38Å; Y43-T47 HydrophobicContact CE2-CG2 4.4Å; Y43-T47 WeakPolarHBondContact O-CG2 3.45Å; Y43-T47 PolarHBondContact O-N 3.41Å; Y43-T47 VanDerWaalsContact O-N 3.07Å; Y43-T47 PolarHBondContact O-OG1 3.46Å
44	Y	59.7	Low	57.4	Low	148 Å²	148	107 Å²	107	58%	0.58	60%	0.598	S	S	*	*	H	α-helix	trans	-69.6	-38.2	175.7	-92.9	-86.7	0	0	0	112.4	I40 T47 I48	I40-Y44 HydrophobicContact CG2-CD2 3.97Å; I40-Y44 HydrophobicContact CG2-CE2 4.24Å; I40-Y44 WeakPolarHBondContact O-CD2 3.32Å; I40-Y44 PolarHBondContact O-N 3.14Å; Y44-T47 WeakPolarHBondContact CA-OG1 3.19Å; Y44-T47 PolarHBondContact O-N 3.39Å; Y44-T47 PolarHBondContact O-OG1 2.59Å; Y44-T47 VanDerWaalsContact O-OG1 3.1Å; Y44-I48 VanDerWaalsContact O-CD1 3.3Å; Y44-I48 WeakPolarHBondContact O-CD1 3.35Å; Y44-I48 WeakPolarHBondContact O-CG1 3.23Å; Y44-I48 PolarHBondContact O-N 2.86Å
45	L	59.2	Low	55.7	Low	118 Å²	118	107.9 Å²	107.9	62%	0.618	60%	0.603	S	S	*	*	H	α-helix	trans	-66.5	-34.3	176.1	-80.1	161.7	0	0	0	112.9	A41 H42	A41-L45 WeakPolarHBondContact O-CB 3.33Å; A41-L45 WeakPolarHBondContact O-CD1 3.38Å; A41-L45 VanDerWaalsContact O-CG 3.32Å; A41-L45 WeakPolarHBondContact O-CG 3.28Å; A41-L45 PolarHBondContact O-N 2.98Å; H42-L45 PolarHBondContact O-N 3.47Å
46	T	53.8	Low	54	Low	78 Å²	78	113.1 Å²	113.1	48%	0.479	62%	0.621	S	S	.	*	H	α-helix	trans	-79.5	-27.9	176.6	52.9	0	0	0	0	113.2	H42 Y43	H42-T46 WeakPolarHBondContact O-CG2 3.46Å; H42-T46 PolarHBondContact O-N 3.42Å; H42-T46 PolarHBondContact O-OG1 2.9Å; Y43-T46 PolarHBondContact O-OG1 3.31Å; Y43-T46 VanDerWaalsContact O-OG1 3.14Å
47	T	52.1	Low	52.4	Low	65 Å²	65	120.4 Å²	120.4	40%	0.399	65%	0.646	S	S	.	*	H	α-helix	trans	-79	-13.4	173.8	55.6	0	0	0	0	114.7	Y43 Y44	Y43-T47 HydrophobicContact CE1-CG2 4.38Å; Y43-T47 HydrophobicContact CE2-CG2 4.4Å; Y43-T47 WeakPolarHBondContact O-CG2 3.45Å; Y43-T47 PolarHBondContact O-N 3.41Å; Y43-T47 VanDerWaalsContact O-N 3.07Å; Y43-T47 PolarHBondContact O-OG1 3.46Å; Y44-T47 WeakPolarHBondContact CA-OG1 3.19Å; Y44-T47 PolarHBondContact O-N 3.39Å; Y44-T47 PolarHBondContact O-OG1 2.59Å; Y44-T47 VanDerWaalsContact O-OG1 3.1Å
48	I	51.3	Low	51.2	Low	119 Å²	119	120 Å²	120	61%	0.61	65%	0.649	S	S	*	*	S	Bend	trans	-85.1	-16.1	176.4	-70.6	166.1	0	0	0	111.9	Y44	Y44-I48 VanDerWaalsContact O-CD1 3.3Å; Y44-I48 WeakPolarHBondContact O-CD1 3.35Å; Y44-I48 WeakPolarHBondContact O-CG1 3.23Å; Y44-I48 PolarHBondContact O-N 2.86Å
49	D	45.8	Very low	49.8	Very low	151 Å²	151	126.1 Å²	126.1	81%	0.807	67%	0.669	S	S	*	*	S	Bend	trans	-88.9	-4.9	-179.8	-101.2	-9.5	0	0	0	114.9
50	E	44.1	Very low	48.3	Very low	188 Å²	188	123.6 Å²	123.6	88%	0.879	67%	0.668	S	S	*	*	S	Bend	trans	-113.4	6.8	-179.6	-83	-164.5	159.5	0	0	115.8
51	A	43.4	Very low	46.8	Very low	88 Å²	88	125.8 Å²	125.8	73%	0.727	69%	0.688	S	S	*	*	S	Bend	trans	-135.5	87.1	178.2	0	0	0	0	0	112.6
52	G	36	Very low	45.6	Very low	76 Å²	76	135 Å²	135	78%	0.784	71%	0.713	S	S	*	*			trans	169.8	81.6	168.6	0	0	0	0	0	114.8
53	G	36.6	Very low	44.5	Very low	71 Å²	71	135.6 Å²	135.6	73%	0.732	73%	0.728	S	S	*	*			trans	-57.8	164.4	167.2	0	0	0	0	0	113.2	D55	G53-D55 PolarHBondContact O-N 2.96Å
54	P	42.1	Very low	43.2	Very low	132 Å²	132	131.6 Å²	131.6	86%	0.857	74%	0.735	S	S	*	*			trans	-82.9	114	-158.7	32.3	-31.3	0	0	0	110.9
55	D	35.5	Very low	42.3	Very low	138 Å²	138	128 Å²	128	74%	0.738	74%	0.743	S	S	*	*			trans	-152.4	129.4	156.4	-131.5	-1.8	0	0	0	114.1	G53	G53-D55 PolarHBondContact O-N 2.96Å
56	K	37.4	Very low	41.5	Very low	169 Å²	169	131.1 Å²	131.1	74%	0.735	76%	0.755	S	S	*	*			trans	67.9	76.7	160.2	-62	172.5	-170.5	169.8	0	119.2	I58	K56-I58 PolarHBondContact O-N 3.33Å
57	R	35.2	Very low	40.9	Very low	247 Å²	247	135.3 Å²	135.3	93%	0.932	77%	0.773	S	S	*	*			trans	-69.7	110.7	142	-73.6	-176	-177.1	177.8	1.5	109.3
58	I	42.7	Very low	40.1	Very low	141 Å²	141	138.2 Å²	138.2	72%	0.723	79%	0.794	S	S	*	*	S	Bend	trans	-76.6	126.7	162.5	-61.7	169.4	0	0	0	105.5	K56	K56-I58 PolarHBondContact O-N 3.33Å
59	F	39.2	Very low	39.9	Very low	201 Å²	201	142 Å²	142	88%	0.882	81%	0.81	S	S	*	*			trans	84.5	71.7	-170.3	-54.9	-75.3	0	0	0	116.4
60	G	34.7	Very low	39.8	Very low	54 Å²	54	138.8 Å²	138.8	56%	0.557	80%	0.804	S	S	*	*			trans	-105.9	153.3	147.3	0	0	0	0	0	110.2	R62	G60-R62 PolarHBondContact O-N 2.77Å
61	P	36.8	Very low	40.2	Very low	133 Å²	133	139.8 Å²	139.8	86%	0.864	81%	0.805	S	S	*	*			trans	-70.2	123.1	173.9	24.6	-21.6	0	0	0	109.3
62	R	39.3	Very low	40.7	Very low	237 Å²	237	143.5 Å²	143.5	89%	0.894	81%	0.808	S	S	*	*			trans	-77.2	132	174.3	-72.1	-179.6	175	178.3	-1.8	109.7	G60 G64	G60-R62 PolarHBondContact O-N 2.77Å; R62-G64 PolarHBondContact O-N 3.11Å
63	P	43.7	Very low	41.6	Very low	136 Å²	136	143.8 Å²	143.8	88%	0.883	79%	0.794	S	S	*	*			trans	-82	98.1	159.6	31.2	-24.3	0	0	0	107.5
64	G	37.9	Very low	42.4	Very low	73 Å²	73	147.9 Å²	147.9	75%	0.753	79%	0.794	S	S	*	*			trans	-117	79.6	172.2	0	0	0	0	0	109	R62	R62-G64 PolarHBondContact O-N 3.11Å
65	G	41.3	Very low	43.1	Very low	73 Å²	73	147 Å²	147	75%	0.753	78%	0.782	S	S	*	*			trans	-86.1	114	159.1	0	0	0	0	0	108
66	E	41.9	Very low	44	Very low	184 Å²	184	146 Å²	146	86%	0.86	78%	0.776	S	S	*	*				168.1	143.7	129.3	-90.8	178.2	-178.8	0	0	110.5
67	L	42.6	Very low	44.9	Very low	165 Å²	165	141.4 Å²	141.4	86%	0.864	76%	0.764	S	S	*	*			trans	77.6	81.8	-176.1	-69.5	105.2	0	0	0	118
68	C	35.6	Very low	46.1	Very low	126 Å²	126	138.7 Å²	138.7	85%	0.851	75%	0.754	S	S	*	*			trans	-132.3	74.1	148.6	-82.5	0	0	0	0	109.5
69	E	45.6	Very low	47	Very low	199 Å²	199	136.7 Å²	136.7	93%	0.93	74%	0.744	S	S	*	*			trans	-87.4	108	158.2	-80.3	-170.1	153.8	0	0	108.7
70	A	44.5	Very low	48.3	Very low	83 Å²	83	136.5 Å²	136.5	69%	0.686	74%	0.737	S	S	*	*	S	Bend	trans	154.7	135.2	146.1	0	0	0	0	0	110.8	H72	A70-H72 PolarHBondContact O-N 3.04Å
71	K	51.3	Low	49.8	Very low	209 Å²	209	140.7 Å²	140.7	91%	0.909	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.3	22.4	-168.2	-109.5	178	178.4	178.4	0	117.3
72	H	55	Low	51.4	Low	167 Å²	167	137.2 Å²	137.2	77%	0.773	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.6	8	-174.1	-146.1	66	0	0	0	115.5	A70	A70-H72 PolarHBondContact O-N 3.04Å
73	V	54.4	Low	53	Low	82 Å²	82	129.1 Å²	129.1	50%	0.497	70%	0.698	S	S	.	*	S	Bend	trans	-120	0.9	-179.2	-173.6	0	0	0	0	113
74	Q	54.6	Low	54.3	Low	156 Å²	156	126 Å²	126	73%	0.729	68%	0.679	S	S	*	*	H	α-helix	trans	-74.6	-29.5	178.7	-131	167.7	2.3	0	0	113	R78	Q74-R78 PolarHBondContact O-N 2.87Å
75	D	56.1	Low	56.1	Low	114 Å²	114	128.9 Å²	128.9	61%	0.61	67%	0.673	S	S	*	*	H	α-helix	trans	-75.4	-34.9	177.7	-69.4	-25.5	0	0	0	112.3	R78 I79	D75-R78 PolarHBondContact O-N 3.08Å; D75-I79 WeakPolarHBondContact O-CB 3.49Å; D75-I79 WeakPolarHBondContact O-CD1 3.38Å; D75-I79 WeakPolarHBondContact O-CG1 3.21Å; D75-I79 PolarHBondContact O-N 3.11Å
76	L	54.8	Low	57.9	Low	116 Å²	116	130.8 Å²	130.8	61%	0.607	66%	0.663	S	S	*	*	H	α-helix	trans	-70.7	-33.8	179.6	-77.4	164.8	0	0	0	113.4	R80	L76-R80 WeakPolarHBondContact O-CB 3.48Å; L76-R80 PolarHBondContact O-N 3.16Å; L76-R80 VanDerWaalsContact O-N 3.07Å
77	C	55.5	Low	59.5	Low	73 Å²	73	127.1 Å²	127.1	49%	0.493	65%	0.648	S	S	.	*	H	α-helix	trans	-72.4	-37	174.2	-75.1	0	0	0	0	112.4	R80 E81	C77-R80 PolarHBondContact O-N 3.19Å; C77-E81 PolarHBondContact O-N 3.41Å
78	R	60.8	Low	61.2	Low	191 Å²	191	124.9 Å²	124.9	72%	0.721	64%	0.636	S	S	*	*	H	α-helix	trans	-65	-42.1	173.7	-113	-179.9	176.2	170.1	-1.6	112.5	Q74 D75 R80 E81 S82	Q74-R78 PolarHBondContact O-N 2.87Å; D75-R78 PolarHBondContact O-N 3.08Å; R78-R80 VanDerWaalsContact C-N 3.34Å; R78-E81 PolarHBondContact O-N 3.21Å; R78-S82 WeakPolarHBondContact O-CB 3.48Å; R78-S82 PolarHBondContact O-N 3.03Å
79	I	61.8	Low	63.4	Low	98 Å²	98	125 Å²	125	50%	0.503	62%	0.624	S	S	.	*	H	α-helix	trans	-64.9	-40.2	176	-68	164	0	0	0	110.3	D75 S82 V83	D75-I79 WeakPolarHBondContact O-CB 3.49Å; D75-I79 WeakPolarHBondContact O-CD1 3.38Å; D75-I79 WeakPolarHBondContact O-CG1 3.21Å; D75-I79 PolarHBondContact O-N 3.11Å; I79-S82 PolarHBondContact O-N 3.49Å; I79-V83 HydrophobicContact CG2-CG2 4.03Å; I79-V83 VanDerWaalsContact O-CB 3.24Å; I79-V83 WeakPolarHBondContact O-CB 3.35Å; I79-V83 WeakPolarHBondContact O-CG2 3.36Å; I79-V83 PolarHBondContact O-N 3.32Å
80	R	67	Low	65	Low	197 Å²	197	120.9 Å²	120.9	74%	0.743	61%	0.608	S	S	*	*	H	α-helix	trans	-64.2	-42.3	176.8	179.4	-177	158.9	-171.2	-6.8	112.8	L76 C77 R78 S84	L76-R80 WeakPolarHBondContact O-CB 3.48Å; L76-R80 PolarHBondContact O-N 3.16Å; L76-R80 VanDerWaalsContact O-N 3.07Å; C77-R80 PolarHBondContact O-N 3.19Å; R78-R80 VanDerWaalsContact C-N 3.34Å; R80-S84 WeakPolarHBondContact O-CB 3.06Å; R80-S84 PolarHBondContact O-N 3.3Å
81	E	65.4	Low	66.8	Low	142 Å²	142	122.3 Å²	122.3	66%	0.664	60%	0.601	S	S	*	*	H	α-helix	trans	-66.3	-45.9	176.2	-77.6	176.5	165.8	0	0	111.3	C77 R78 V83 S84 E85	C77-E81 PolarHBondContact O-N 3.41Å; R78-E81 PolarHBondContact O-N 3.21Å; E81-V83 PolarHBondContact O-N 2.77Å; E81-S84 PolarHBondContact O-N 3.33Å; E81-E85 WeakPolarHBondContact O-CB 3.24Å; E81-E85 PolarHBondContact O-N 2.96Å
82	S	70.9	Confident	68.2	Low	61 Å²	61	114.9 Å²	114.9	43%	0.427	58%	0.578	S	S	.	*	H	α-helix	trans	-60.5	-44.7	176.3	-172.4	0	0	0	0	112.6	R78 I79 E85 E86	R78-S82 WeakPolarHBondContact O-CB 3.48Å; R78-S82 PolarHBondContact O-N 3.03Å; I79-S82 PolarHBondContact O-N 3.49Å; S82-E85 PolarHBondContact O-N 3.01Å; S82-E86 WeakPolarHBondContact O-CB 3.19Å; S82-E86 WeakPolarHBondContact O-CG 3.31Å; S82-E86 PolarHBondContact O-N 3.09Å
83	V	71.6	Confident	69.6	Low	67 Å²	67	113.1 Å²	113.1	41%	0.406	57%	0.569	S	S	.	*	H	α-helix	trans	-70.4	-34.8	179.5	170.5	0	0	0	0	111.2	I79 E81 L87	I79-V83 HydrophobicContact CG2-CG2 4.03Å; I79-V83 VanDerWaalsContact O-CB 3.24Å; I79-V83 WeakPolarHBondContact O-CB 3.35Å; I79-V83 WeakPolarHBondContact O-CG2 3.36Å; I79-V83 PolarHBondContact O-N 3.32Å; E81-V83 PolarHBondContact O-N 2.77Å; V83-L87 HydrophobicContact CG1-CD1 4.06Å; V83-L87 VanDerWaalsContact O-CB 3.29Å; V83-L87 WeakPolarHBondContact O-CB 3.45Å; V83-L87 PolarHBondContact O-N 3.41Å
84	S	71	Confident	71.1	Confident	70 Å²	70	117.3 Å²	117.3	49%	0.49	58%	0.575	S	S	.	*	H	α-helix	trans	-67.7	-38.2	174.9	-172.6	0	0	0	0	111.8	R80 E81 L88	R80-S84 WeakPolarHBondContact O-CB 3.06Å; R80-S84 PolarHBondContact O-N 3.3Å; E81-S84 PolarHBondContact O-N 3.33Å; S84-L88 WeakPolarHBondContact O-CB 3.26Å; S84-L88 PolarHBondContact O-N 3.3Å; S84-L88 VanDerWaalsContact O-N 3.09Å
85	E	75.6	Confident	72.4	Confident	133 Å²	133	116.3 Å²	116.3	62%	0.621	57%	0.571	S	S	*	*	H	α-helix	trans	-72.1	-40.7	178.7	-156.1	170.1	-163.1	0	0	111.3	E81 S82 L88 Q89	E81-E85 WeakPolarHBondContact O-CB 3.24Å; E81-E85 PolarHBondContact O-N 2.96Å; S82-E85 PolarHBondContact O-N 3.01Å; E85-L88 PolarHBondContact O-N 2.93Å; E85-Q89 WeakPolarHBondContact O-CG 3.35Å; E85-Q89 PolarHBondContact O-N 2.66Å
86	E	79.4	Confident	73.9	Confident	114 Å²	114	117.7 Å²	117.7	53%	0.533	57%	0.574	S	S	.	*	H	α-helix	trans	-62.9	-41.1	170.8	-79	-173	168.8	0	0	112.6	S82 L88 Q89 L90	S82-E86 WeakPolarHBondContact O-CB 3.19Å; S82-E86 WeakPolarHBondContact O-CG 3.31Å; S82-E86 PolarHBondContact O-N 3.09Å; E86-L88 VanDerWaalsContact C-N 3.32Å; E86-L88 PolarHBondContact O-N 3.04Å; E86-Q89 PolarHBondContact O-N 3.11Å; E86-L90 WeakPolarHBondContact O-CB 3.22Å; E86-L90 VanDerWaalsContact O-CG 3.27Å; E86-L90 WeakPolarHBondContact O-CG 3.42Å; E86-L90 PolarHBondContact O-N 3.28Å
87	L	76.5	Confident	75.4	Confident	106 Å²	106	116.3 Å²	116.3	56%	0.555	57%	0.566	S	S	*	*	H	α-helix	trans	-61.9	-40.6	176	-104	153.4	0	0	0	111.8	V83 L90 E91	V83-L87 HydrophobicContact CG1-CD1 4.06Å; V83-L87 VanDerWaalsContact O-CB 3.29Å; V83-L87 WeakPolarHBondContact O-CB 3.45Å; V83-L87 PolarHBondContact O-N 3.41Å; L87-L90 PolarHBondContact O-N 2.9Å; L87-E91 WeakPolarHBondContact O-CB 3.47Å; L87-E91 PolarHBondContact O-N 2.86Å
88	L	78.3	Confident	76.8	Confident	118 Å²	118	116.9 Å²	116.9	62%	0.618	56%	0.564	S	S	*	*	H	α-helix	trans	-69.7	-38	179.3	-144.3	151.6	0	0	0	111.2	S84 E85 E86 E91 A92	S84-L88 WeakPolarHBondContact O-CB 3.26Å; S84-L88 PolarHBondContact O-N 3.3Å; S84-L88 VanDerWaalsContact O-N 3.09Å; E85-L88 PolarHBondContact O-N 2.93Å; E86-L88 VanDerWaalsContact C-N 3.32Å; E86-L88 PolarHBondContact O-N 3.04Å; L88-E91 PolarHBondContact O-N 2.68Å; L88-A92 WeakPolarHBondContact O-CB 3.25Å; L88-A92 PolarHBondContact O-N 3.2Å
89	Q	80.3	Confident	78.1	Confident	128 Å²	128	109.5 Å²	109.5	60%	0.598	55%	0.548	S	S	*	.	H	α-helix	trans	-66.8	-41.5	172.1	-73.5	-178.7	5.4	0	0	112.6	E85 E86 E91 A92 K93	E85-Q89 WeakPolarHBondContact O-CG 3.35Å; E85-Q89 PolarHBondContact O-N 2.66Å; E86-Q89 PolarHBondContact O-N 3.11Å; Q89-E91 VanDerWaalsContact C-N 3.33Å; Q89-A92 PolarHBondContact O-N 3.13Å; Q89-K93 WeakPolarHBondContact O-CB 3.31Å; Q89-K93 PolarHBondContact O-N 3.26Å
90	L	80.9	Confident	79.4	Confident	113 Å²	113	110.1 Å²	110.1	59%	0.592	55%	0.549	S	S	*	.	H	α-helix	trans	-66.4	-35.7	176.1	-75.2	171	0	0	0	111.8	E86 L87 K93 R94	E86-L90 WeakPolarHBondContact O-CB 3.22Å; E86-L90 VanDerWaalsContact O-CG 3.27Å; E86-L90 WeakPolarHBondContact O-CG 3.42Å; E86-L90 PolarHBondContact O-N 3.28Å; L87-L90 PolarHBondContact O-N 2.9Å; L90-K93 PolarHBondContact O-N 3.44Å; L90-R94 VanDerWaalsContact O-CB 3.28Å; L90-R94 WeakPolarHBondContact O-CB 3.32Å; L90-R94 PolarHBondContact O-N 2.76Å
91	E	81.6	Confident	80.4	Confident	113 Å²	113	104.9 Å²	104.9	53%	0.528	53%	0.534	S	S	.	.	H	α-helix	trans	-69.3	-41.6	175.6	-168.1	166.8	-159.3	0	0	111.8	L87 L88 Q89 R94 Q95	L87-E91 WeakPolarHBondContact O-CB 3.47Å; L87-E91 PolarHBondContact O-N 2.86Å; L88-E91 PolarHBondContact O-N 2.68Å; Q89-E91 VanDerWaalsContact C-N 3.33Å; E91-R94 PolarHBondContact O-N 3.13Å; E91-Q95 WeakPolarHBondContact O-CG 3.09Å; E91-Q95 PolarHBondContact O-N 3.44Å
92	A	81.1	Confident	81.5	Confident	53 Å²	53	100.5 Å²	100.5	44%	0.438	52%	0.523	S	S	.	.	H	α-helix	trans	-60.7	-45.5	172.3	0	0	0	0	0	111.8	L88 Q89 R94 Q95 E96	L88-A92 WeakPolarHBondContact O-CB 3.25Å; L88-A92 PolarHBondContact O-N 3.2Å; Q89-A92 PolarHBondContact O-N 3.13Å; A92-R94 VanDerWaalsContact C-N 3.33Å; A92-R94 PolarHBondContact O-N 3.24Å; A92-Q95 PolarHBondContact O-N 2.98Å; A92-E96 PolarHBondContact O-N 2.8Å
93	K	84.4	Confident	82.4	Confident	131 Å²	131	107 Å²	107	57%	0.57	54%	0.538	S	S	*	.	H	α-helix	trans	-65.1	-35.8	177.1	-165.4	171.1	-173.8	174.3	0	112.4	Q89 L90 E96 L97	Q89-K93 WeakPolarHBondContact O-CB 3.31Å; Q89-K93 PolarHBondContact O-N 3.26Å; L90-K93 PolarHBondContact O-N 3.44Å; K93-E96 PolarHBondContact O-N 3.42Å; K93-L97 HydrophobicContact CG-CD1 4.36Å; K93-L97 WeakPolarHBondContact O-CB 3.46Å; K93-L97 WeakPolarHBondContact O-CG 3.28Å; K93-L97 PolarHBondContact O-N 3.4Å
94	R	85.3	Confident	83.2	Confident	170 Å²	170	108 Å²	108	64%	0.642	54%	0.541	S	S	*	.	H	α-helix	trans	-65.6	-40.8	173.8	-175.6	-176.5	178.3	-157.8	-0.4	111.5	L90 E91 A92 N98	L90-R94 VanDerWaalsContact O-CB 3.28Å; L90-R94 WeakPolarHBondContact O-CB 3.32Å; L90-R94 PolarHBondContact O-N 2.76Å; E91-R94 PolarHBondContact O-N 3.13Å; A92-R94 VanDerWaalsContact C-N 3.33Å; A92-R94 PolarHBondContact O-N 3.24Å; R94-N98 VanDerWaalsContact O-CB 3.31Å; R94-N98 WeakPolarHBondContact O-CB 3.24Å; R94-N98 PolarHBondContact O-N 3.36Å; R94-N98 PolarHBondContact O-ND2 2.89Å
95	Q	83.1	Confident	84.1	Confident	134 Å²	134	108.8 Å²	108.8	63%	0.626	54%	0.539	S	S	*	.	H	α-helix	trans	-65.9	-40.5	176.2	-74.3	-175.9	0.4	0	0	111.9	E91 A92 N98 G99	E91-Q95 WeakPolarHBondContact O-CG 3.09Å; E91-Q95 PolarHBondContact O-N 3.44Å; A92-Q95 PolarHBondContact O-N 2.98Å; Q95-N98 PolarHBondContact O-N 3.03Å; Q95-G99 PolarHBondContact O-N 2.79Å
96	E	86.8	Confident	84.9	Confident	144 Å²	144	107.9 Å²	107.9	67%	0.673	54%	0.538	S	S	*	.	H	α-helix	trans	-61.9	-50.8	175.1	-173.3	177.1	-164.7	0	0	111.7	A92 K93 N98 G99 E100	A92-E96 PolarHBondContact O-N 2.8Å; K93-E96 PolarHBondContact O-N 3.42Å; E96-N98 VanDerWaalsContact C-N 3.32Å; E96-N98 PolarHBondContact O-N 3.22Å; E96-G99 WeakPolarHBondContact O-CA 3.44Å; E96-G99 PolarHBondContact O-N 2.65Å; E96-G99 VanDerWaalsContact O-N 3.08Å; E96-E100 PolarHBondContact O-N 3.17Å
97	L	85.9	Confident	85.4	Confident	87 Å²	87	111.4 Å²	111.4	46%	0.455	55%	0.547	S	S	.	.	H	α-helix	trans	-60.8	-39.3	176.8	-75.9	168	0	0	0	112.2	K93 G99 E100 I101	K93-L97 HydrophobicContact CG-CD1 4.36Å; K93-L97 WeakPolarHBondContact O-CB 3.46Å; K93-L97 WeakPolarHBondContact O-CG 3.28Å; K93-L97 PolarHBondContact O-N 3.4Å; L97-G99 VanDerWaalsContact C-N 3.34Å; L97-G99 PolarHBondContact O-N 2.95Å; L97-E100 PolarHBondContact O-N 3.13Å; L97-I101 WeakPolarHBondContact O-CB 3Å; L97-I101 VanDerWaalsContact O-CG1 3.23Å; L97-I101 WeakPolarHBondContact O-CG1 2.96Å; L97-I101 PolarHBondContact O-N 3.39Å
98	N	84.7	Confident	86.1	Confident	84 Å²	84	110.4 Å²	110.4	45%	0.449	54%	0.541	S	S	.	.	H	α-helix	trans	-65.4	-37	174.8	-77.5	-25.2	0	0	0	112.2	R94 Q95 E96 E100 A102	R94-N98 VanDerWaalsContact O-CB 3.31Å; R94-N98 WeakPolarHBondContact O-CB 3.24Å; R94-N98 PolarHBondContact O-N 3.36Å; R94-N98 PolarHBondContact O-ND2 2.89Å; Q95-N98 PolarHBondContact O-N 3.03Å; E96-N98 VanDerWaalsContact C-N 3.32Å; E96-N98 PolarHBondContact O-N 3.22Å; N98-E100 VanDerWaalsContact C-N 3.33Å; N98-A102 WeakPolarHBondContact O-CB 3.14Å; N98-A102 PolarHBondContact O-N 3.24Å
99	G	89.1	Confident	86.7	Confident	37 Å²	37	109.4 Å²	109.4	38%	0.381	53%	0.533	S	S	.	.	H	α-helix	trans	-64.7	-38.1	172.9	0	0	0	0	0	112.5	Q95 E96 L97 A102 R103	Q95-G99 PolarHBondContact O-N 2.79Å; E96-G99 WeakPolarHBondContact O-CA 3.44Å; E96-G99 PolarHBondContact O-N 2.65Å; E96-G99 VanDerWaalsContact O-N 3.08Å; L97-G99 VanDerWaalsContact C-N 3.34Å; L97-G99 PolarHBondContact O-N 2.95Å; G99-A102 PolarHBondContact O-N 3.49Å; G99-R103 PolarHBondContact O-N 3.08Å; G99-R103 VanDerWaalsContact O-N 3.09Å
100	E	89.5	Confident	87.2	Confident	111 Å²	111	106 Å²	106	52%	0.519	53%	0.527	S	S	.	.	H	α-helix	trans	-69.7	-43.1	176.2	-159.1	170.7	-157.6	0	0	112	E96 L97 N98 A102 R103 L104	E96-E100 PolarHBondContact O-N 3.17Å; L97-E100 PolarHBondContact O-N 3.13Å; N98-E100 VanDerWaalsContact C-N 3.33Å; E100-A102 VanDerWaalsContact C-N 3.32Å; E100-A102 PolarHBondContact O-N 2.76Å; E100-R103 PolarHBondContact O-N 3.29Å; E100-L104 WeakPolarHBondContact O-CG 3.2Å; E100-L104 PolarHBondContact O-N 2.71Å
101	I	87.1	Confident	87.5	Confident	86 Å²	86	104.2 Å²	104.2	44%	0.441	52%	0.523	S	S	.	.	H	α-helix	trans	-58.5	-43.3	172.5	-70.7	165.3	0	0	0	110.8	L97 R103 L104 N105	L97-I101 WeakPolarHBondContact O-CB 3Å; L97-I101 VanDerWaalsContact O-CG1 3.23Å; L97-I101 WeakPolarHBondContact O-CG1 2.96Å; L97-I101 PolarHBondContact O-N 3.39Å; I101-R103 PolarHBondContact O-N 3.32Å; I101-L104 PolarHBondContact O-N 2.98Å; I101-N105 WeakPolarHBondContact O-CB 3.32Å; I101-N105 VanDerWaalsContact O-CG 3.32Å; I101-N105 PolarHBondContact O-N 3.32Å; I101-N105 PolarHBondContact O-ND2 2.63Å
102	A	87.9	Confident	88	Confident	50 Å²	50	105 Å²	105	41%	0.413	52%	0.524	S	S	.	.	H	α-helix	trans	-62.9	-41.5	177.2	0	0	0	0	0	112.2	N98 G99 E100 N105 L106	N98-A102 WeakPolarHBondContact O-CB 3.14Å; N98-A102 PolarHBondContact O-N 3.24Å; G99-A102 PolarHBondContact O-N 3.49Å; E100-A102 VanDerWaalsContact C-N 3.32Å; E100-A102 PolarHBondContact O-N 2.76Å; A102-N105 PolarHBondContact O-N 3.03Å; A102-L106 WeakPolarHBondContact O-CG 3.47Å; A102-L106 PolarHBondContact O-N 3.38Å
103	R	89.9	Confident	88.5	Confident	197 Å²	197	110.5 Å²	110.5	74%	0.743	53%	0.534	S	S	*	.	H	α-helix	trans	-64.6	-42.3	174.2	-84.2	-176.3	174.4	152.5	-0.2	112.7	G99 E100 I101 L106 R107	G99-R103 PolarHBondContact O-N 3.08Å; G99-R103 VanDerWaalsContact O-N 3.09Å; E100-R103 PolarHBondContact O-N 3.29Å; I101-R103 PolarHBondContact O-N 3.32Å; R103-L106 PolarHBondContact O-N 3.01Å; R103-R107 PolarHBondContact O-N 3.16Å
104	L	89.3	Confident	88.8	Confident	89 Å²	89	108 Å²	108	47%	0.466	53%	0.532	S	S	.	.	H	α-helix	trans	-64.4	-41.4	177	-73.3	170.5	0	0	0	111.1	E100 I101 L106 R107 I108	E100-L104 WeakPolarHBondContact O-CG 3.2Å; E100-L104 PolarHBondContact O-N 2.71Å; I101-L104 PolarHBondContact O-N 2.98Å; L104-L106 PolarHBondContact O-N 3.29Å; L104-R107 WeakPolarHBondContact O-CB 3.39Å; L104-R107 PolarHBondContact O-N 3.08Å; L104-I108 VanDerWaalsContact O-CG1 3.32Å; L104-I108 WeakPolarHBondContact O-CG1 3.34Å; L104-I108 PolarHBondContact O-N 3.32Å
105	N	90.4	Very high	89	Confident	86 Å²	86	103.8 Å²	103.8	46%	0.46	52%	0.522	S	S	.	.	H	α-helix	trans	-62.7	-41.5	175.7	-76.5	-28.2	0	0	0	112.5	I101 A102 R107 I108 E109	I101-N105 WeakPolarHBondContact O-CB 3.32Å; I101-N105 VanDerWaalsContact O-CG 3.32Å; I101-N105 PolarHBondContact O-N 3.32Å; I101-N105 PolarHBondContact O-ND2 2.63Å; A102-N105 PolarHBondContact O-N 3.03Å; N105-R107 VanDerWaalsContact C-N 3.33Å; N105-R107 PolarHBondContact O-N 3.33Å; N105-I108 PolarHBondContact O-N 3.46Å; N105-E109 PolarHBondContact O-N 2.86Å
106	L	91.4	Very high	89.4	Confident	115 Å²	115	101.4 Å²	101.4	60%	0.602	51%	0.514	S	S	*	.	H	α-helix	trans	-61.9	-39.3	173.6	-76	169.1	0	0	0	112.3	A102 R103 L104 E109 A110	A102-L106 WeakPolarHBondContact O-CG 3.47Å; A102-L106 PolarHBondContact O-N 3.38Å; R103-L106 PolarHBondContact O-N 3.01Å; L104-L106 PolarHBondContact O-N 3.29Å; L106-E109 PolarHBondContact O-N 2.86Å; L106-A110 WeakPolarHBondContact O-CB 3.38Å; L106-A110 PolarHBondContact O-N 3.08Å
107	R	90.8	Very high	89.5	Confident	188 Å²	188	97.3 Å²	97.3	71%	0.709	50%	0.501	S	S	*	.	H	α-helix	trans	-66.2	-40	173.7	-79.3	-177.4	175.5	174.5	-1.1	112.3	R103 L104 N105 A110 C111	R103-R107 PolarHBondContact O-N 3.16Å; L104-R107 WeakPolarHBondContact O-CB 3.39Å; L104-R107 PolarHBondContact O-N 3.08Å; N105-R107 VanDerWaalsContact C-N 3.33Å; N105-R107 PolarHBondContact O-N 3.33Å; R107-A110 PolarHBondContact O-N 2.85Å; R107-C111 VanDerWaalsContact O-CB 3.28Å; R107-C111 WeakPolarHBondContact O-CB 3.25Å; R107-C111 PolarHBondContact O-N 3.16Å
108	I	90.8	Very high	89.5	Confident	84 Å²	84	95.7 Å²	95.7	43%	0.431	50%	0.5	S	S	.	.	H	α-helix	trans	-61.8	-44.9	175.8	-70.4	166.2	0	0	0	110.1	L104 N105 C111 K112	L104-I108 VanDerWaalsContact O-CG1 3.32Å; L104-I108 WeakPolarHBondContact O-CG1 3.34Å; L104-I108 PolarHBondContact O-N 3.32Å; N105-I108 PolarHBondContact O-N 3.46Å; I108-C111 PolarHBondContact O-N 3.33Å; I108-K112 HydrophobicContact CG2-CD 4.26Å; I108-K112 WeakPolarHBondContact O-CB 3.25Å; I108-K112 WeakPolarHBondContact O-CG 2.81Å; I108-K112 PolarHBondContact O-N 3.07Å
109	E	90.6	Very high	89.7	Confident	98 Å²	98	97.4 Å²	97.4	46%	0.458	50%	0.503	S	S	.	.	H	α-helix	trans	-64.2	-42.9	176.4	-76.6	-165.6	-174.5	0	0	112.9	N105 L106 C111 K112 R113	N105-E109 PolarHBondContact O-N 2.86Å; L106-E109 PolarHBondContact O-N 2.86Å; E109-C111 VanDerWaalsContact C-N 3.32Å; E109-C111 PolarHBondContact O-N 3.29Å; E109-K112 PolarHBondContact O-N 2.86Å; E109-R113 WeakPolarHBondContact O-CG 3.5Å; E109-R113 PolarHBondContact O-N 3.22Å; E109-R113 IonicContact OE2-NH2 3.03Å; E109-R113 PolarHBondContact OE2-NH2 3.02Å
110	A	90.3	Very high	89.7	Confident	57 Å²	57	102.1 Å²	102.1	47%	0.471	52%	0.515	S	S	.	.	H	α-helix	trans	-61.5	-42	175.9	0	0	0	0	0	111.5	L106 R107 R113 S114	L106-A110 WeakPolarHBondContact O-CB 3.38Å; L106-A110 PolarHBondContact O-N 3.08Å; R107-A110 PolarHBondContact O-N 2.85Å; A110-R113 PolarHBondContact O-N 3Å; A110-S114 WeakPolarHBondContact O-CB 3.42Å; A110-S114 PolarHBondContact O-N 3.48Å
111	C	88.4	Confident	89.5	Confident	74 Å²	74	101.1 Å²	101.1	50%	0.5	51%	0.514	S	S	.	.	H	α-helix	trans	-65.3	-42.9	176.2	-164.8	0	0	0	0	111.7	R107 I108 E109 R113 S114 I115	R107-C111 VanDerWaalsContact O-CB 3.28Å; R107-C111 WeakPolarHBondContact O-CB 3.25Å; R107-C111 PolarHBondContact O-N 3.16Å; I108-C111 PolarHBondContact O-N 3.33Å; E109-C111 VanDerWaalsContact C-N 3.32Å; E109-C111 PolarHBondContact O-N 3.29Å; C111-R113 PolarHBondContact O-N 2.69Å; C111-S114 WeakPolarHBondContact O-CB 3.47Å; C111-S114 PolarHBondContact O-N 2.92Å; C111-I115 VanDerWaalsContact O-CG1 3.32Å; C111-I115 WeakPolarHBondContact O-CG1 2.96Å; C111-I115 PolarHBondContact O-N 2.94Å
112	K	91.9	Very high	89.5	Confident	129 Å²	129	102.5 Å²	102.5	56%	0.561	52%	0.522	S	S	*	.	H	α-helix	trans	-58.7	-47.1	174.8	-78.7	179	178.7	179.9	0	112.2	I108 E109 S114 I115 D116	I108-K112 HydrophobicContact CG2-CD 4.26Å; I108-K112 WeakPolarHBondContact O-CB 3.25Å; I108-K112 WeakPolarHBondContact O-CG 2.81Å; I108-K112 PolarHBondContact O-N 3.07Å; E109-K112 PolarHBondContact O-N 2.86Å; K112-S114 VanDerWaalsContact C-N 3.31Å; K112-S114 PolarHBondContact O-N 3.11Å; K112-I115 PolarHBondContact O-N 3.2Å; K112-D116 PolarHBondContact O-N 2.01Å
113	R	91.3	Very high	89.5	Confident	170 Å²	170	105 Å²	105	64%	0.642	53%	0.527	S	S	*	.	H	α-helix	trans	-61.8	-39.3	176.7	-67.7	179.7	-142.9	176.2	5.7	112	E109 A110 C111 D116 S117	E109-R113 WeakPolarHBondContact O-CG 3.5Å; E109-R113 PolarHBondContact O-N 3.22Å; E109-R113 IonicContact OE2-NH2 3.03Å; E109-R113 PolarHBondContact OE2-NH2 3.02Å; A110-R113 PolarHBondContact O-N 3Å; C111-R113 PolarHBondContact O-N 2.69Å; R113-D116 PolarHBondContact O-N 2.9Å; R113-S117 PolarHBondContact O-N 3.01Å
114	S	90.3	Very high	89.4	Confident	77 Å²	77	101.8 Å²	101.8	54%	0.538	52%	0.521	S	S	.	.	H	α-helix	trans	-62.8	-44.3	174.8	-173.9	0	0	0	0	112	A110 C111 K112 D116 S117 A118	A110-S114 WeakPolarHBondContact O-CB 3.42Å; A110-S114 PolarHBondContact O-N 3.48Å; C111-S114 WeakPolarHBondContact O-CB 3.47Å; C111-S114 PolarHBondContact O-N 2.92Å; K112-S114 VanDerWaalsContact C-N 3.31Å; K112-S114 PolarHBondContact O-N 3.11Å; S114-D116 VanDerWaalsContact C-N 3.35Å; S114-D116 PolarHBondContact O-N 3.05Å; S114-S117 PolarHBondContact O-N 3.21Å; S114-A118 WeakPolarHBondContact O-CB 3.22Å; S114-A118 PolarHBondContact O-N 2.93Å
115	I	90.6	Very high	88.9	Confident	82 Å²	82	103 Å²	103	42%	0.421	53%	0.527	S	S	.	.	H	α-helix	trans	-61.4	-43.4	175.8	-69.7	165.8	0	0	0	111.1	C111 K112 A118 K119	C111-I115 VanDerWaalsContact O-CG1 3.32Å; C111-I115 WeakPolarHBondContact O-CG1 2.96Å; C111-I115 PolarHBondContact O-N 2.94Å; K112-I115 PolarHBondContact O-N 3.2Å; I115-A118 PolarHBondContact O-N 2.93Å; I115-K119 HydrophobicContact CG2-CD 4.22Å; I115-K119 WeakPolarHBondContact O-CB 3.45Å; I115-K119 WeakPolarHBondContact O-CG 3.42Å; I115-K119 PolarHBondContact O-N 2.84Å
116	D	89.9	Confident	88.4	Confident	85 Å²	85	105.5 Å²	105.5	46%	0.455	53%	0.534	S	S	.	.	H	α-helix	trans	-68.3	-37.6	180	-69.6	-27.5	0	0	0	112	K112 R113 S114 K119 Q120	K112-D116 PolarHBondContact O-N 2.01Å; R113-D116 PolarHBondContact O-N 2.9Å; S114-D116 VanDerWaalsContact C-N 3.35Å; S114-D116 PolarHBondContact O-N 3.05Å; D116-K119 PolarHBondContact O-N 2.85Å; D116-K119 IonicContact OD1-NZ 3.51Å; D116-Q120 WeakPolarHBondContact O-CG 3.4Å; D116-Q120 PolarHBondContact O-N 3.34Å
117	S	89.8	Confident	87.8	Confident	57 Å²	57	105.1 Å²	105.1	40%	0.399	53%	0.533	S	S	.	.	H	α-helix	trans	-60.8	-50.2	170.7	-169	0	0	0	0	111.3	R113 S114 K119 Q120 D121	R113-S117 PolarHBondContact O-N 3.01Å; S114-S117 PolarHBondContact O-N 3.21Å; S117-K119 VanDerWaalsContact C-N 3.27Å; S117-K119 PolarHBondContact O-N 3.32Å; S117-Q120 WeakPolarHBondContact O-CB 3.38Å; S117-Q120 PolarHBondContact O-N 3.39Å; S117-Q120 VanDerWaalsContact O-N 3.07Å; S117-D121 VanDerWaalsContact O-CG 3.29Å; S117-D121 PolarHBondContact O-N 3.25Å
118	A	85.1	Confident	87.3	Confident	53 Å²	53	99.9 Å²	99.9	44%	0.438	52%	0.521	S	S	.	.	H	α-helix	trans	-61.7	-34.9	179.4	0	0	0	0	0	112.5	S114 I115 L122	S114-A118 WeakPolarHBondContact O-CB 3.22Å; S114-A118 PolarHBondContact O-N 2.93Å; I115-A118 PolarHBondContact O-N 2.93Å; A118-L122 VanDerWaalsContact O-CB 3.31Å; A118-L122 WeakPolarHBondContact O-CB 3.48Å; A118-L122 PolarHBondContact O-N 2.87Å
119	K	89.3	Confident	86.4	Confident	120 Å²	120	100 Å²	100	52%	0.522	52%	0.522	S	S	.	.	H	α-helix	trans	-65.6	-41.8	173	-78.2	174.5	-178	171.4	0	112.3	I115 D116 S117 L122 L123	I115-K119 HydrophobicContact CG2-CD 4.22Å; I115-K119 WeakPolarHBondContact O-CB 3.45Å; I115-K119 WeakPolarHBondContact O-CG 3.42Å; I115-K119 PolarHBondContact O-N 2.84Å; D116-K119 PolarHBondContact O-N 2.85Å; D116-K119 IonicContact OD1-NZ 3.51Å; S117-K119 VanDerWaalsContact C-N 3.27Å; S117-K119 PolarHBondContact O-N 3.32Å; K119-L122 PolarHBondContact O-N 3.28Å; K119-L123 WeakPolarHBondContact O-CG 3.01Å; K119-L123 PolarHBondContact O-N 3.46Å
120	Q	88.7	Confident	85.5	Confident	136 Å²	136	98.7 Å²	98.7	64%	0.636	52%	0.523	S	S	*	.	H	α-helix	trans	-65.7	-43.9	176.4	-74.4	-179.9	-10.5	0	0	111.2	D116 S117 L122 L123 Q124	D116-Q120 WeakPolarHBondContact O-CG 3.4Å; D116-Q120 PolarHBondContact O-N 3.34Å; S117-Q120 WeakPolarHBondContact O-CB 3.38Å; S117-Q120 PolarHBondContact O-N 3.39Å; S117-Q120 VanDerWaalsContact O-N 3.07Å; Q120-L122 VanDerWaalsContact C-N 3.32Å; Q120-L122 PolarHBondContact O-N 3.33Å; Q120-L123 PolarHBondContact O-N 2.8Å; Q120-Q124 PolarHBondContact O-N 2.91Å
121	D	85.8	Confident	84.8	Confident	91 Å²	91	103 Å²	103	49%	0.487	53%	0.534	S	S	.	.	H	α-helix	trans	-60.1	-43	175.8	-66.1	-26.7	0	0	0	111	S117 L123 Q124 L125	S117-D121 VanDerWaalsContact O-CG 3.29Å; S117-D121 PolarHBondContact O-N 3.25Å; D121-L123 PolarHBondContact O-N 3.28Å; D121-Q124 PolarHBondContact O-N 2.83Å; D121-L125 WeakPolarHBondContact O-CB 3.26Å; D121-L125 PolarHBondContact O-N 2.85Å
122	L	87.3	Confident	83.6	Confident	115 Å²	115	103.2 Å²	103.2	60%	0.602	53%	0.533	S	S	*	.	H	α-helix	trans	-62.6	-43.3	176.4	-169.9	156.3	0	0	0	112	A118 K119 Q120 L125 K126	A118-L122 VanDerWaalsContact O-CB 3.31Å; A118-L122 WeakPolarHBondContact O-CB 3.48Å; A118-L122 PolarHBondContact O-N 2.87Å; K119-L122 PolarHBondContact O-N 3.28Å; Q120-L122 VanDerWaalsContact C-N 3.32Å; Q120-L122 PolarHBondContact O-N 3.33Å; L122-L125 PolarHBondContact O-N 2.97Å; L122-K126 WeakPolarHBondContact O-CB 3.17Å; L122-K126 PolarHBondContact O-N 3.16Å
123	L	88.8	Confident	82.5	Confident	102 Å²	102	100.3 Å²	100.3	53%	0.534	52%	0.521	S	S	.	.	H	α-helix	trans	-62.9	-42.6	176	-79.4	165.1	0	0	0	111.8	K119 Q120 D121 K126 N127	K119-L123 WeakPolarHBondContact O-CG 3.01Å; K119-L123 PolarHBondContact O-N 3.46Å; Q120-L123 PolarHBondContact O-N 2.8Å; D121-L123 PolarHBondContact O-N 3.28Å; L123-K126 PolarHBondContact O-N 3.26Å; L123-N127 PolarHBondContact O-N 2.76Å; L123-N127 VanDerWaalsContact O-N 3.09Å
124	Q	86.6	Confident	81.5	Confident	129 Å²	129	97.5 Å²	97.5	60%	0.603	52%	0.515	S	S	*	.	H	α-helix	trans	-64.7	-44.5	176.8	-173.2	173.8	-8.9	0	0	111.1	Q120 D121 K126 N127 V128	Q120-Q124 PolarHBondContact O-N 2.91Å; D121-Q124 PolarHBondContact O-N 2.83Å; Q124-K126 VanDerWaalsContact C-N 3.32Å; Q124-K126 PolarHBondContact O-N 2.82Å; Q124-N127 PolarHBondContact O-N 2.78Å; Q124-V128 WeakPolarHBondContact O-CG2 3.42Å; Q124-V128 PolarHBondContact O-N 2.83Å
125	L	79.6	Confident	80.2	Confident	114 Å²	114	96.4 Å²	96.4	60%	0.597	51%	0.507	S	S	*	.	H	α-helix	trans	-59.8	-43.5	176.2	-149.4	89.2	0	0	0	111.2	D121 L122 N127 V128 I129	D121-L125 WeakPolarHBondContact O-CB 3.26Å; D121-L125 PolarHBondContact O-N 2.85Å; L122-L125 PolarHBondContact O-N 2.97Å; L125-N127 VanDerWaalsContact C-N 3.33Å; L125-N127 PolarHBondContact O-N 2.87Å; L125-V128 PolarHBondContact O-N 2.83Å; L125-I129 HydrophobicContact CD2-CD1 4.2Å; L125-I129 HydrophobicContact CG-CD1 4.35Å; L125-I129 VanDerWaalsContact O-CG1 3.28Å; L125-I129 WeakPolarHBondContact O-CG1 3.31Å; L125-I129 PolarHBondContact O-N 2.68Å
126	K	80	Confident	79	Confident	139 Å²	139	93.9 Å²	93.9	60%	0.604	49%	0.493	S	S	*	.	H	α-helix	trans	-60.7	-41.1	177.9	-170.8	175.9	-178	177.3	0	112.2	L122 L123 Q124 I129 S130	L122-K126 WeakPolarHBondContact O-CB 3.17Å; L122-K126 PolarHBondContact O-N 3.16Å; L123-K126 PolarHBondContact O-N 3.26Å; Q124-K126 VanDerWaalsContact C-N 3.32Å; Q124-K126 PolarHBondContact O-N 2.82Å; K126-I129 PolarHBondContact O-N 2.86Å; K126-S130 WeakPolarHBondContact O-CB 3.31Å; K126-S130 PolarHBondContact O-N 3Å
127	N	78.7	Confident	77.8	Confident	108 Å²	108	96 Å²	96	58%	0.578	50%	0.498	S	S	*	.	H	α-helix	trans	-66.8	-42.3	175.9	-71.9	-19.8	0	0	0	111.9	L123 Q124 L125 S130 Q131	L123-N127 PolarHBondContact O-N 2.76Å; L123-N127 VanDerWaalsContact O-N 3.09Å; Q124-N127 PolarHBondContact O-N 2.78Å; L125-N127 VanDerWaalsContact C-N 3.33Å; L125-N127 PolarHBondContact O-N 2.87Å; N127-S130 PolarHBondContact O-N 2.85Å; N127-Q131 WeakPolarHBondContact O-CB 3.45Å; N127-Q131 PolarHBondContact O-N 2.83Å
128	V	79.6	Confident	76.7	Confident	77 Å²	77	97.9 Å²	97.9	47%	0.467	50%	0.5	S	S	.	.	H	α-helix	trans	-62.4	-44.3	175.9	172.5	0	0	0	0	111	Q124 L125 Q131 T132	Q124-V128 WeakPolarHBondContact O-CG2 3.42Å; Q124-V128 PolarHBondContact O-N 2.83Å; L125-V128 PolarHBondContact O-N 2.83Å; V128-Q131 PolarHBondContact O-N 2.83Å; V128-T132 VanDerWaalsContact O-CB 3.26Å; V128-T132 WeakPolarHBondContact O-CB 3.33Å; V128-T132 PolarHBondContact O-N 3.12Å; V128-T132 PolarHBondContact O-OG1 2.97Å
129	I	71.6	Confident	75.4	Confident	88 Å²	88	99.9 Å²	99.9	45%	0.451	50%	0.503	S	S	.	.	H	α-helix	trans	-59.7	-49.4	176	-69.3	165.6	0	0	0	110.2	L125 K126 Q131 T132 E133	L125-I129 HydrophobicContact CD2-CD1 4.2Å; L125-I129 HydrophobicContact CG-CD1 4.35Å; L125-I129 VanDerWaalsContact O-CG1 3.28Å; L125-I129 WeakPolarHBondContact O-CG1 3.31Å; L125-I129 PolarHBondContact O-N 2.68Å; K126-I129 PolarHBondContact O-N 2.86Å; I129-Q131 PolarHBondContact O-N 2.96Å; I129-T132 PolarHBondContact O-N 2.85Å; I129-E133 PolarHBondContact O-N 3.37Å
130	S	72.9	Confident	73.9	Confident	70 Å²	70	97.5 Å²	97.5	49%	0.49	50%	0.495	S	S	.	.	H	α-helix	trans	-61.6	-41.7	-179.8	-177.6	0	0	0	0	112.6	K126 N127 H134	K126-S130 WeakPolarHBondContact O-CB 3.31Å; K126-S130 PolarHBondContact O-N 3Å; N127-S130 PolarHBondContact O-N 2.85Å; S130-H134 PolarHBondContact O-N 2.92Å
131	Q	74.1	Confident	72.5	Confident	146 Å²	146	94.5 Å²	94.5	68%	0.682	49%	0.494	S	S	*	.	H	α-helix	trans	-67.7	-38.6	176.1	-171.2	174.9	1.6	0	0	111.7	N127 V128 I129 H134 S135	N127-Q131 WeakPolarHBondContact O-CB 3.45Å; N127-Q131 PolarHBondContact O-N 2.83Å; V128-Q131 PolarHBondContact O-N 2.83Å; I129-Q131 PolarHBondContact O-N 2.96Å; Q131-H134 PolarHBondContact O-N 3.44Å; Q131-S135 WeakPolarHBondContact O-CB 3.33Å; Q131-S135 PolarHBondContact O-N 3.17Å; Q131-S135 PolarHBondContact O-OG 2.75Å
132	T	64	Low	71.1	Confident	79 Å²	79	97.4 Å²	97.4	49%	0.485	50%	0.504	S	S	.	.	H	α-helix	trans	-65.8	-45.7	176.7	-55.9	0	0	0	0	110.7	V128 I129 H134 S135 Y136	V128-T132 VanDerWaalsContact O-CB 3.26Å; V128-T132 WeakPolarHBondContact O-CB 3.33Å; V128-T132 PolarHBondContact O-N 3.12Å; V128-T132 PolarHBondContact O-OG1 2.97Å; I129-T132 PolarHBondContact O-N 2.85Å; T132-H134 VanDerWaalsContact C-N 3.34Å; T132-H134 PolarHBondContact O-N 3.14Å; T132-S135 WeakPolarHBondContact CA-OG 3.21Å; T132-S135 PolarHBondContact O-N 3.47Å; T132-S135 PolarHBondContact O-OG 3.19Å; T132-Y136 VanDerWaalsContact O-CB 3.3Å; T132-Y136 WeakPolarHBondContact O-CB 3.48Å; T132-Y136 PolarHBondContact O-N 3.45Å
133	E	69.8	Low	69.5	Low	68 Å²	68	95.5 Å²	95.5	32%	0.318	49%	0.494	S	S	.	.	H	α-helix	trans	-57.6	-43.9	173.3	-82.5	-167.3	129.7	0	0	112.3	I129 Y136 K137 P578	I129-E133 PolarHBondContact O-N 3.37Å; E133-Y136 WeakPolarHBondContact O-CB 3.33Å; E133-Y136 PolarHBondContact O-N 3.4Å; E133-K137 WeakPolarHBondContact O-CG 3.41Å; E133-K137 PolarHBondContact O-N 3.48Å; E133-P578 HydrophobicContact CG-CG 4.33Å
134	H	68.6	Low	67.7	Low	112 Å²	112	94.6 Å²	94.6	52%	0.519	49%	0.488	S	S	.	.	H	α-helix	trans	-63.6	-47.5	178.2	-166.8	-77	0	0	0	111.1	S130 Q131 T132 Y136 K137 E138	S130-H134 PolarHBondContact O-N 2.92Å; Q131-H134 PolarHBondContact O-N 3.44Å; T132-H134 VanDerWaalsContact C-N 3.34Å; T132-H134 PolarHBondContact O-N 3.14Å; H134-Y136 VanDerWaalsContact C-N 3.26Å; H134-Y136 PolarHBondContact O-N 3.07Å; H134-K137 PolarHBondContact O-N 3.36Å; H134-E138 VanDerWaalsContact CE1-CD 3.43Å; H134-E138 IonicContact CE1-OE1 3.32Å; H134-E138 PolarHBondContact CE1-OE1 2.86Å; H134-E138 IonicContact CE1-OE2 3.33Å; H134-E138 IonicContact ND1-OE1 3.47Å; H134-E138 IonicContact ND1-OE2 2.85Å; H134-E138 WeakPolarHBondContact O-CG 3.48Å; H134-E138 PolarHBondContact O-N 3.46Å
135	S	63.7	Low	66	Low	53 Å²	53	93.1 Å²	93.1	37%	0.371	49%	0.489	S	S	.	.	H	α-helix	trans	-61.8	-35.5	176.9	74.2	0	0	0	0	112.4	Q131 T132 E138 L139	Q131-S135 WeakPolarHBondContact O-CB 3.33Å; Q131-S135 PolarHBondContact O-N 3.17Å; Q131-S135 PolarHBondContact O-OG 2.75Å; T132-S135 WeakPolarHBondContact CA-OG 3.21Å; T132-S135 PolarHBondContact O-N 3.47Å; T132-S135 PolarHBondContact O-OG 3.19Å; S135-E138 PolarHBondContact O-N 3.13Å; S135-L139 WeakPolarHBondContact O-CB 3.3Å; S135-L139 PolarHBondContact O-N 3.23Å
136	Y	66.4	Low	64.7	Low	30 Å²	30	97.7 Å²	97.7	12%	0.118	50%	0.504	C	S	.	.	H	α-helix	trans	-65.7	-47.6	174.9	178	-91.5	0	0	0	111.2	T132 E133 H134 E138 L139 M140 E577 P578	T132-Y136 VanDerWaalsContact O-CB 3.3Å; T132-Y136 WeakPolarHBondContact O-CB 3.48Å; T132-Y136 PolarHBondContact O-N 3.45Å; E133-Y136 WeakPolarHBondContact O-CB 3.33Å; E133-Y136 PolarHBondContact O-N 3.4Å; H134-Y136 VanDerWaalsContact C-N 3.26Å; H134-Y136 PolarHBondContact O-N 3.07Å; Y136-E138 VanDerWaalsContact C-N 3.31Å; Y136-E138 PolarHBondContact O-N 3.01Å; Y136-L139 PolarHBondContact O-N 3.4Å; Y136-M140 HydrophobicContact CD1-CG 4.15Å; Y136-M140 HydrophobicContact CE1-CG 3.82Å; Y136-M140 WeakPolarHBondContact O-CG 3.36Å; Y136-M140 PolarHBondContact O-N 3.49Å; Y136-E577 WeakPolarHBondContact CE2-OE2 3.36Å; Y136-P578 HydrophobicContact CD1-CG 4.32Å; Y136-P578 HydrophobicContact CE1-CG 4.4Å
137	K	64.7	Low	63.3	Low	129 Å²	129	95.2 Å²	95.2	56%	0.561	50%	0.497	S	S	*	.	H	α-helix	trans	-60.8	-40	176.2	-75.1	175.1	-178.8	172.2	0	111.8	E133 H134 M140 A141	E133-K137 WeakPolarHBondContact O-CG 3.41Å; E133-K137 PolarHBondContact O-N 3.48Å; H134-K137 PolarHBondContact O-N 3.36Å; K137-M140 PolarHBondContact O-N 3.48Å; K137-A141 WeakPolarHBondContact O-CB 3.3Å; K137-A141 PolarHBondContact O-N 2.95Å
138	E	65.2	Low	62.3	Low	96 Å²	96	94.4 Å²	94.4	45%	0.449	50%	0.5	S	S	.	.	H	α-helix	trans	-65.8	-44.1	174.6	-74.2	-178.9	146.8	0	0	112.2	H134 S135 Y136 M140 A141 Q142	H134-E138 VanDerWaalsContact CE1-CD 3.43Å; H134-E138 IonicContact CE1-OE1 3.32Å; H134-E138 PolarHBondContact CE1-OE1 2.86Å; H134-E138 IonicContact CE1-OE2 3.33Å; H134-E138 IonicContact ND1-OE1 3.47Å; H134-E138 IonicContact ND1-OE2 2.85Å; H134-E138 WeakPolarHBondContact O-CG 3.48Å; H134-E138 PolarHBondContact O-N 3.46Å; S135-E138 PolarHBondContact O-N 3.13Å; Y136-E138 VanDerWaalsContact C-N 3.31Å; Y136-E138 PolarHBondContact O-N 3.01Å; E138-M140 VanDerWaalsContact C-N 3.3Å; E138-M140 PolarHBondContact O-N 2.94Å; E138-A141 PolarHBondContact O-N 3.49Å; E138-Q142 WeakPolarHBondContact O-CB 3.35Å; E138-Q142 WeakPolarHBondContact O-CG 3.12Å; E138-Q142 PolarHBondContact O-N 3.07Å
139	L	59.1	Low	61.4	Low	95 Å²	95	95.5 Å²	95.5	50%	0.497	50%	0.503	S	S	.	.	H	α-helix	trans	-61	-37.6	174.5	-90.6	163.5	0	0	0	112.4	S135 Y136 N143	S135-L139 WeakPolarHBondContact O-CB 3.3Å; S135-L139 PolarHBondContact O-N 3.23Å; Y136-L139 PolarHBondContact O-N 3.4Å; L139-N143 WeakPolarHBondContact O-CB 3.22Å; L139-N143 PolarHBondContact O-ND2 2.91Å
140	M	57.3	Low	60.8	Low	70 Å²	70	93.8 Å²	93.8	35%	0.345	50%	0.497	S	S	.	.	H	α-helix	trans	-67.7	-44.5	174.1	-69.9	-65.3	99.9	0	0	111.2	Y136 K137 E138 N143 Q144	Y136-M140 HydrophobicContact CD1-CG 4.15Å; Y136-M140 HydrophobicContact CE1-CG 3.82Å; Y136-M140 WeakPolarHBondContact O-CG 3.36Å; Y136-M140 PolarHBondContact O-N 3.49Å; K137-M140 PolarHBondContact O-N 3.48Å; E138-M140 VanDerWaalsContact C-N 3.3Å; E138-M140 PolarHBondContact O-N 2.94Å; M140-N143 PolarHBondContact O-N 2.9Å; M140-Q144 PolarHBondContact O-N 3.49Å
141	A	58.2	Low	60.6	Low	74 Å²	74	96.4 Å²	96.4	61%	0.612	51%	0.51	S	S	*	.	H	α-helix	trans	-70	-31	-178.7	0	0	0	0	0	114.1	K137 E138 N143	K137-A141 WeakPolarHBondContact O-CB 3.3Å; K137-A141 PolarHBondContact O-N 2.95Å; E138-A141 PolarHBondContact O-N 3.49Å; A141-N143 VanDerWaalsContact C-N 3.33Å
142	Q	57.2	Low	60.7	Low	152 Å²	152	95.6 Å²	95.6	71%	0.71	50%	0.501	S	S	*	.	H	α-helix	trans	-73.3	-24.4	177.9	-75.9	178.4	6.2	0	0	113.2	E138	E138-Q142 WeakPolarHBondContact O-CB 3.35Å; E138-Q142 WeakPolarHBondContact O-CG 3.12Å; E138-Q142 PolarHBondContact O-N 3.07Å
143	N	52.8	Low	61.3	Low	74 Å²	74	96.6 Å²	96.6	40%	0.396	50%	0.502	S	S	.	.	H	α-helix	trans	-108.5	-14.9	-166.4	-73.3	-43.3	0	0	0	114.9	L139 M140 A141 T630	L139-N143 WeakPolarHBondContact O-CB 3.22Å; L139-N143 PolarHBondContact O-ND2 2.91Å; M140-N143 PolarHBondContact O-N 2.9Å; A141-N143 VanDerWaalsContact C-N 3.33Å; N143-T630 HydrophobicContact CB-CG2 3.72Å
144	Q	52.8	Low	61.7	Low	84 Å²	84	97 Å²	97	39%	0.393	51%	0.507	S	S	.	.	S	Bend	trans	-129.6	120	167.4	-71.5	-178.2	-4.8	0	0	107.8	M140 K146	M140-Q144 PolarHBondContact O-N 3.49Å; Q144-K146 PolarHBondContact O-N 2.97Å
145	P	50.7	Low	61.9	Low	98 Å²	98	92.6 Å²	92.6	64%	0.636	49%	0.488	S	S	*	.			trans	-55.5	131.5	167.9	24.2	-30.4	0	0	0	107.1	L147	P145-L147 HydrophobicContact CB-CD2 4.48Å; P145-L147 HydrophobicContact CG-CD2 4.21Å; P145-L147 HydrophobicContact CG-CG 4.28Å; P145-L147 PolarHBondContact O-N 3.11Å
146	K	50.7	Low	62.1	Low	209 Å²	209	96.8 Å²	96.8	91%	0.909	51%	0.506	S	S	*	.			trans	-59.7	95.5	167.5	-104.4	-175.9	175.5	-178.3	0	106.9	Q144 S148	Q144-K146 PolarHBondContact O-N 2.97Å; K146-S148 PolarHBondContact O-N 2.71Å
147	L	51.7	Low	61.9	Low	88 Å²	88	105 Å²	105	46%	0.461	54%	0.542	S	S	.	.			trans	-78.2	80.8	174.1	-66.8	174.2	0	0	0	106.7	P145 L586	P145-L147 HydrophobicContact CB-CD2 4.48Å; P145-L147 HydrophobicContact CG-CD2 4.21Å; P145-L147 HydrophobicContact CG-CG 4.28Å; P145-L147 PolarHBondContact O-N 3.11Å; L147-L586 HydrophobicContact CD1-CD2 4.02Å
148	S	57.9	Low	61.5	Low	91 Å²	91	107.3 Å²	107.3	64%	0.636	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-79.5	164	163.6	59.9	0	0	0	0	109.3	K146 P150	K146-S148 PolarHBondContact O-N 2.71Å; S148-P150 WeakPolarHBondContact O-CD 3.33Å; S148-P150 VanDerWaalsContact O-N 3.07Å
149	L	59.4	Low	61.2	Low	99 Å²	99	105.4 Å²	105.4	52%	0.518	55%	0.548	S	S	.	.	P	Polyproline II helix	trans	-48	122.9	165.2	-72.8	166.2	0	0	0	108.1	P540	L149-P540 HydrophobicContact CD1-CG 4.13Å; L149-P540 HydrophobicContact CD2-CG 3.82Å
150	P	59.3	Low	61	Low	53 Å²	53	106.7 Å²	106.7	34%	0.344	56%	0.562	S	S	.	*	P	Polyproline II helix	trans	-56.9	150.3	179.7	-26.6	34.9	0	0	0	110.5	S148 R152 T185 F589	S148-P150 WeakPolarHBondContact O-CD 3.33Å; S148-P150 VanDerWaalsContact O-N 3.07Å; P150-R152 PolarHBondContact O-N 2.95Å; P150-T185 HydrophobicContact CB-CG2 3.3Å; P150-T185 HydrophobicContact CG-CG2 3.87Å; P150-F589 HydrophobicContact CG-CE2 4.3Å; P150-F589 HydrophobicContact CG-CZ 4.04Å
151	V	69	Low	61.1	Low	124 Å²	124	105.9 Å²	105.9	75%	0.752	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-51.8	128.4	174.8	178.6	0	0	0	0	108.8	L153 T185	V151-L153 PolarHBondContact O-N 2.74Å; V151-T185 WeakPolarHBondContact O-CB 3.44Å; V151-T185 PolarHBondContact O-OG1 3.05Å
152	R	75.3	Confident	61.5	Low	130 Å²	130	106 Å²	106	49%	0.491	56%	0.562	S	S	.	*			trans	-64.7	108.9	-179.4	-173.2	179.6	-174.5	176.2	4.4	109.1	P150 L154 T185 S186	P150-R152 PolarHBondContact O-N 2.95Å; R152-L154 HydrophobicContact CG-CD2 4.03Å; R152-T185 WeakPolarHBondContact CA-O 3.18Å; R152-S186 VanDerWaalsContact CZ-O 3.31Å; R152-S186 PolarHBondContact NE-O 2.56Å; R152-S186 PolarHBondContact NH2-O 3.36Å; R152-S186 VanDerWaalsContact NH2-O 3.09Å
153	L	76.8	Confident	62	Low	99 Å²	99	103.8 Å²	103.8	52%	0.518	56%	0.56	S	S	.	*	P	Polyproline II helix	trans	-85.2	120.5	174.6	-64.4	174.5	0	0	0	108.2	V151 P183 T185 S186	V151-L153 PolarHBondContact O-N 2.74Å; L153-P183 HydrophobicContact CB-CB 3.73Å; L153-P183 HydrophobicContact CB-CG 3.91Å; L153-P183 HydrophobicContact CD1-CB 4.33Å; L153-T185 WeakPolarHBondContact CB-OG1 3.16Å; L153-T185 WeakPolarHBondContact CG-OG1 3.12Å; L153-T185 PolarHBondContact N-OG1 2.97Å; L153-T185 VanDerWaalsContact N-OG1 3.11Å; L153-S186 VanDerWaalsContact O-CA 3.28Å; L153-S186 WeakPolarHBondContact O-CA 3.37Å; L153-S186 VanDerWaalsContact O-CB 3.23Å; L153-S186 WeakPolarHBondContact O-CB 3.38Å
154	L	78.8	Confident	62.6	Low	78 Å²	78	105 Å²	105	41%	0.408	57%	0.572	S	S	.	*	P	Polyproline II helix	trans	-100.3	154	176.1	-63.7	179.6	0	0	0	109.9	R152 I228	R152-L154 HydrophobicContact CG-CD2 4.03Å; L154-I228 HydrophobicContact CD1-CG2 3.9Å; L154-I228 HydrophobicContact CD2-CB 4.2Å; L154-I228 HydrophobicContact CD2-CG2 4.46Å
155	P	73.4	Confident	63.3	Low	18 Å²	18	102.6 Å²	102.6	12%	0.117	56%	0.564	C	S	.	*	P	Polyproline II helix	trans	-59.3	137.5	177.8	-20.3	31.1	0	0	0	112.2	R181	P155-R181 HydrophobicContact CB-CB 4.2Å; P155-R181 HydrophobicContact CB-CG 4.07Å; P155-R181 HydrophobicContact CG-CB 4.04Å; P155-R181 HydrophobicContact CG-CG 4.43Å; P155-R181 WeakPolarHBondContact CG-O 3.38Å
156	D	67	Low	64.1	Low	142 Å²	142	108.4 Å²	108.4	76%	0.759	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-68.9	152.4	168.4	-78.1	-36.3	0	0	0	111.1	E158	D156-E158 VanDerWaalsContact C-N 3.29Å; D156-E158 PolarHBondContact O-N 3.03Å
157	K	62.1	Low	65	Low	201 Å²	201	100.8 Å²	100.8	87%	0.874	55%	0.552	S	S	*	*	S	Bend	trans	-71.5	-24.4	-179.7	-71.7	-175.7	179.8	178.5	0	113.1
158	E	56.8	Low	65.9	Low	179 Å²	179	99.7 Å²	99.7	84%	0.836	55%	0.551	S	S	*	*			trans	-103.6	113.8	-177.7	-67	-177.4	-177.7	0	0	109.2	D156	D156-E158 VanDerWaalsContact C-N 3.29Å; D156-E158 PolarHBondContact O-N 3.03Å
159	D	58.3	Low	66.5	Low	56 Å²	56	102.8 Å²	102.8	30%	0.299	55%	0.548	S	S	.	.			trans	-118.7	110.4	-175.3	-174.6	1.7	0	0	0	108.8	G161 R262	D159-G161 PolarHBondContact O-N 3.28Å; D159-R262 IonicContact OD2-NH1 2.9Å; D159-R262 PolarHBondContact OD2-NH1 2.7Å
160	P	56.4	Low	67.4	Low	121 Å²	121	100.9 Å²	100.9	79%	0.786	54%	0.543	S	S	*	.			trans	-72	83.1	172.6	29.7	-30.5	0	0	0	108.2
161	G	59.4	Low	68.3	Low	53 Å²	53	98.4 Å²	98.4	55%	0.546	53%	0.527	S	S	.	.	P	Polyproline II helix	trans	-48.2	139.5	-172.8	0	0	0	0	0	113.7	D159	D159-G161 PolarHBondContact O-N 3.28Å
162	L	65.3	Low	69.1	Low	78 Å²	78	97.6 Å²	97.6	41%	0.408	51%	0.511	S	S	.	.	P	Polyproline II helix	trans	-70.9	139.6	178.1	-71.5	164.3	0	0	0	110.5	R290	L162-R290 PolarHBondContact O-NH2 3.06Å
163	P	67.5	Low	69.6	Low	105 Å²	105	93.1 Å²	93.1	68%	0.682	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-64.5	135.6	177.8	26.8	-34	0	0	0	110.4	R290	P163-R290 PolarHBondContact O-NH2 3.4Å
164	P	66.4	Low	69.9	Low	98 Å²	98	98.8 Å²	98.8	64%	0.636	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-57.1	145.4	-172.6	23.5	-34.1	0	0	0	112.1
165	P	67.7	Low	70	Confident	35 Å²	35	97.2 Å²	97.2	23%	0.227	51%	0.506	C	S	.	.	P	Polyproline II helix	trans	-61.7	142.6	177.2	26.7	-34.1	0	0	0	110.6	S167 R290	P165-S167 PolarHBondContact O-N 2.87Å; P165-S167 VanDerWaalsContact O-N 3.11Å; P165-R290 HydrophobicContact CG-CG 4.48Å
166	K	66.1	Low	70.6	Confident	220 Å²	220	96.4 Å²	96.4	96%	0.957	50%	0.501	S	S	*	.	S	Bend	trans	-59.1	-25.2	180	-66.3	-176	179.9	-178.8	0	113.4
167	S	71.4	Confident	71.6	Confident	49 Å²	49	90.2 Å²	90.2	34%	0.343	47%	0.467	S	S	.	.	S	Bend	trans	-148.4	141.6	175	169.4	0	0	0	0	110	P165 R169 S170	P165-S167 PolarHBondContact O-N 2.87Å; P165-S167 VanDerWaalsContact O-N 3.11Å; S167-R169 PolarHBondContact O-N 3.39Å; S167-R169 VanDerWaalsContact O-N 3.13Å; S167-R169 PolarHBondContact OG-N 2.02Å; S167-S170 PolarHBondContact O-N 3.09Å; S167-S170 PolarHBondContact O-OG 3.27Å
168	P	68.9	Low	72.8	Confident	65 Å²	65	81.2 Å²	81.2	42%	0.422	43%	0.428	S	S	.	.	G	3₁₀ helix	trans	-53.7	-30.9	172.4	-24	32.8	0	0	0	113.3	S170 C171 R304	P168-S170 VanDerWaalsContact C-N 3.32Å; P168-S170 PolarHBondContact O-N 2.73Å; P168-C171 WeakPolarHBondContact O-CB 3.02Å; P168-C171 PolarHBondContact O-N 3.48Å; P168-R304 VanDerWaalsContact O-CD 3.26Å; P168-R304 WeakPolarHBondContact O-CD 3.17Å
169	R	71.6	Confident	74.3	Confident	155 Å²	155	77.5 Å²	77.5	59%	0.585	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-73.4	-19.8	178.3	-67.7	-168.4	177.7	167.7	7.6	114.3	S167 C171 Q301	S167-R169 PolarHBondContact O-N 3.39Å; S167-R169 VanDerWaalsContact O-N 3.13Å; S167-R169 PolarHBondContact OG-N 2.02Å; R169-C171 PolarHBondContact O-N 3.2Å; R169-Q301 PolarHBondContact NE-O 2.88Å; R169-Q301 VanDerWaalsContact NH2-CB 3.27Å; R169-Q301 PolarHBondContact NH2-O 2.92Å
170	S	77.1	Confident	75.5	Confident	60 Å²	60	78 Å²	78	42%	0.42	42%	0.42	S	S	.	.	G	3₁₀ helix	trans	-81.2	-0.4	176.7	67.8	0	0	0	0	113.3	S167 P168 R172	S167-S170 PolarHBondContact O-N 3.09Å; S167-S170 PolarHBondContact O-OG 3.27Å; P168-S170 VanDerWaalsContact C-N 3.32Å; P168-S170 PolarHBondContact O-N 2.73Å; S170-R172 PolarHBondContact O-N 3.08Å
171	C	79.6	Confident	76.8	Confident	0 Å²	0	72.7 Å²	72.7	0%	0	38%	0.384	C	S	.	.			trans	-75.2	113.9	-173.1	-165.7	0	0	0	0	111.2	P168 R169 C176	P168-C171 WeakPolarHBondContact O-CB 3.02Å; P168-C171 PolarHBondContact O-N 3.48Å; R169-C171 PolarHBondContact O-N 3.2Å; C171-C176 WeakPolarHBondContact CA-SG 3.37Å; C171-C176 HydrophobicContact CB-CB 4.23Å; C171-C176 WeakPolarHBondContact CB-SG 3.46Å; C171-C176 WeakPolarHBondContact SG-CB 3.49Å; C171-C176 CovalentContact SG-SG 2.01Å; C171-C176 PolarHBondContact SG-SG 3.04Å
172	R	85.3	Confident	78.2	Confident	108 Å²	108	70.4 Å²	70.4	41%	0.408	36%	0.36	S	S	.	.			trans	-121.8	163.2	172.8	-58.7	-64.7	-174.7	165.1	2.8	108.7	S170 R174 S175 C176 E305	S170-R172 PolarHBondContact O-N 3.08Å; R172-R174 VanDerWaalsContact C-N 3.28Å; R172-R174 HydrophobicContact CB-CG 4.2Å; R172-R174 PolarHBondContact O-N 3.17Å; R172-S175 PolarHBondContact N-OG 3.1Å; R172-S175 PolarHBondContact O-N 3.48Å; R172-S175 PolarHBondContact O-OG 3.41Å; R172-S175 VanDerWaalsContact O-OG 3.05Å; R172-C176 PolarHBondContact O-N 3.45Å; R172-E305 PolarHBondContact NH1-O 3.36Å
173	L	86.3	Confident	79.2	Confident	36 Å²	36	68 Å²	68	19%	0.188	35%	0.349	C	S	.	.	H	α-helix	trans	-44.8	-52.4	174.5	-84.1	153.8	0	0	0	111.9	S175 F177 G306 F307 I534	L173-S175 PolarHBondContact O-N 2.81Å; L173-S175 VanDerWaalsContact O-N 3.11Å; L173-F177 HydrophobicContact CD2-CB 4.2Å; L173-F177 HydrophobicContact CD2-CD2 4.42Å; L173-F177 HydrophobicContact CD2-CG 4.31Å; L173-F177 WeakPolarHBondContact O-CA 3.33Å; L173-F177 WeakPolarHBondContact O-CB 3.11Å; L173-F177 PolarHBondContact O-N 3.34Å; L173-G306 WeakPolarHBondContact CD1-O 3.42Å; L173-F307 HydrophobicContact CG-CD2 4.21Å; L173-I534 HydrophobicContact CD2-CG2 3.95Å
174	R	82.5	Confident	80	Confident	218 Å²	218	67.1 Å²	67.1	82%	0.823	34%	0.338	S	S	*	.	H	α-helix	trans	-59.6	-22.9	179.5	68	179.4	179.7	-173.9	-1.1	116.5	R172	R172-R174 VanDerWaalsContact C-N 3.28Å; R172-R174 HydrophobicContact CB-CG 4.2Å; R172-R174 PolarHBondContact O-N 3.17Å
175	S	81.2	Confident	80.8	Confident	45 Å²	45	64 Å²	64	32%	0.315	32%	0.317	S	S	.	.	H	α-helix	trans	-110.1	-27.5	-172.6	63.3	0	0	0	0	113.3	R172 L173 R290	R172-S175 PolarHBondContact N-OG 3.1Å; R172-S175 PolarHBondContact O-N 3.48Å; R172-S175 PolarHBondContact O-OG 3.41Å; R172-S175 VanDerWaalsContact O-OG 3.05Å; L173-S175 PolarHBondContact O-N 2.81Å; L173-S175 VanDerWaalsContact O-N 3.11Å; S175-R290 PolarHBondContact O-NH1 3.47Å; S175-R290 VanDerWaalsContact O-NH1 3.13Å
176	C	85.6	Confident	81.6	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-114.2	-25.2	-173.9	-74.7	0	0	0	0	114.3	C171 R172 R290 F307	C171-C176 WeakPolarHBondContact CA-SG 3.37Å; C171-C176 HydrophobicContact CB-CB 4.23Å; C171-C176 WeakPolarHBondContact CB-SG 3.46Å; C171-C176 WeakPolarHBondContact SG-CB 3.49Å; C171-C176 CovalentContact SG-SG 2.01Å; C171-C176 PolarHBondContact SG-SG 3.04Å; R172-C176 PolarHBondContact O-N 3.45Å; C176-R290 HydrophobicContact CB-CB 4.2Å; C176-R290 HydrophobicContact CB-CG 4.11Å; C176-F307 HydrophobicContact CB-CE2 3.96Å; C176-F307 HydrophobicContact CB-CZ 3.88Å
177	F	88.9	Confident	82.5	Confident	13 Å²	13	53.8 Å²	53.8	6%	0.057	28%	0.281	C	S	.	.	S	Bend	trans	-86	131.4	176.4	-163.4	-88.6	0	0	0	109.3	L173 Y179 C182 L231 N267 I530 I534	L173-F177 HydrophobicContact CD2-CB 4.2Å; L173-F177 HydrophobicContact CD2-CD2 4.42Å; L173-F177 HydrophobicContact CD2-CG 4.31Å; L173-F177 WeakPolarHBondContact O-CA 3.33Å; L173-F177 WeakPolarHBondContact O-CB 3.11Å; L173-F177 PolarHBondContact O-N 3.34Å; F177-Y179 HydrophobicContact CB-CE2 4.34Å; F177-Y179 HydrophobicContact CD1-CD1 4.47Å; F177-Y179 HydrophobicContact CD1-CD2 4.23Å; F177-Y179 HydrophobicContact CD1-CE2 4.28Å; F177-Y179 HydrophobicContact CD1-CG 4.33Å; F177-C182 HydrophobicContact CE1-CB 3.99Å; F177-C182 VanDerWaalsContact CE1-SG 3.59Å; F177-C182 HydrophobicContact CZ-CB 4.4Å; F177-C182 VanDerWaalsContact CZ-SG 3.52Å; F177-L231 HydrophobicContact CE2-CD1 4.22Å; F177-N267 HydrophobicContact CE2-CB 4.37Å; F177-I530 HydrophobicContact CE2-CG2 4.36Å; F177-I534 HydrophobicContact CD1-CG2 3.94Å; F177-I534 HydrophobicContact CE1-CD1 4.15Å; F177-I534 HydrophobicContact CE1-CG2 3.73Å; F177-I534 HydrophobicContact CE2-CG2 4.42Å; F177-I534 HydrophobicContact CG-CG2 4.38Å; F177-I534 HydrophobicContact CZ-CD1 4.09Å; F177-I534 HydrophobicContact CZ-CG2 3.98Å
178	D	87.3	Confident	83.6	Confident	11 Å²	11	51.5 Å²	51.5	6%	0.059	27%	0.265	C	S	.	.			trans	-91.6	103.1	175.8	174.9	17.1	0	0	0	110.2	A180 R181 N267	D178-A180 VanDerWaalsContact C-N 3.29Å; D178-A180 PolarHBondContact O-N 2.86Å; D178-A180 VanDerWaalsContact OD1-CB 3.25Å; D178-A180 WeakPolarHBondContact OD1-CB 3.01Å; D178-A180 PolarHBondContact OD1-N 3.26Å; D178-R181 WeakPolarHBondContact OD2-CG 3.26Å; D178-N267 WeakPolarHBondContact CB-OD1 3.47Å; D178-N267 PolarHBondContact N-OD1 2.83Å; D178-N267 PolarHBondContact O-ND2 3.44Å
179	Y	87.1	Confident	84.8	Confident	101 Å²	101	48.5 Å²	48.5	40%	0.396	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-71.8	-20.3	178.4	-71.5	-92.8	0	0	0	113	F177 R181 C182 I534	F177-Y179 HydrophobicContact CB-CE2 4.34Å; F177-Y179 HydrophobicContact CD1-CD1 4.47Å; F177-Y179 HydrophobicContact CD1-CD2 4.23Å; F177-Y179 HydrophobicContact CD1-CE2 4.28Å; F177-Y179 HydrophobicContact CD1-CG 4.33Å; Y179-R181 PolarHBondContact O-N 2.72Å; Y179-C182 CarbonylContact O-C 3.53Å; Y179-C182 VanDerWaalsContact O-C 3.29Å; Y179-C182 PolarHBondContact O-N 3.37Å; Y179-I534 HydrophobicContact CE1-CB 4.01Å; Y179-I534 HydrophobicContact CE1-CG2 4.05Å
180	A	83.4	Confident	85.9	Confident	68 Å²	68	41.1 Å²	41.1	56%	0.562	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-64.4	-28	-178.9	0	0	0	0	0	111.8	D178 P183	D178-A180 VanDerWaalsContact C-N 3.29Å; D178-A180 PolarHBondContact O-N 2.86Å; D178-A180 VanDerWaalsContact OD1-CB 3.25Å; D178-A180 WeakPolarHBondContact OD1-CB 3.01Å; D178-A180 PolarHBondContact OD1-N 3.26Å; A180-P183 WeakPolarHBondContact O-CD 3.17Å
181	R	84.7	Confident	86.8	Confident	9 Å²	9	40.4 Å²	40.4	3%	0.034	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-88	-9.4	174.8	-59	-162.6	74.9	-166.8	-2.5	115	P155 D178 Y179 P183 P226 S227 A229 C230 Y232 R262	P155-R181 HydrophobicContact CB-CB 4.2Å; P155-R181 HydrophobicContact CB-CG 4.07Å; P155-R181 HydrophobicContact CG-CB 4.04Å; P155-R181 HydrophobicContact CG-CG 4.43Å; P155-R181 WeakPolarHBondContact CG-O 3.38Å; D178-R181 WeakPolarHBondContact OD2-CG 3.26Å; Y179-R181 PolarHBondContact O-N 2.72Å; R181-P183 WeakPolarHBondContact O-CD 3.47Å; R181-P226 PolarHBondContact NH2-O 3.41Å; R181-S227 PolarHBondContact NH2-O 3.21Å; R181-A229 VanDerWaalsContact CZ-O 3.28Å; R181-A229 PolarHBondContact NH2-O 2.83Å; R181-A229 VanDerWaalsContact NH2-O 3.13Å; R181-C230 WeakPolarHBondContact O-CA 3.28Å; R181-C230 WeakPolarHBondContact O-CB 3.23Å; R181-Y232 VanDerWaalsContact CZ-OH 3.26Å; R181-Y232 PolarHBondContact NH1-OH 2.99Å; R181-Y232 PolarHBondContact NH2-OH 2.77Å; R181-R262 VanDerWaalsContact CD-NH1 3.3Å; R181-R262 VanDerWaalsContact CZ-CZ 3.48Å; R181-R262 VanDerWaalsContact NH1-NE 3.17Å
182	C	88.6	Confident	87.6	Confident	5 Å²	5	41.5 Å²	41.5	3%	0.034	21%	0.213	C	C	.	.	S	Bend	trans	-122.9	59.2	177.3	-57.3	0	0	0	0	111.5	F177 Y179 C230 I534	F177-C182 HydrophobicContact CE1-CB 3.99Å; F177-C182 VanDerWaalsContact CE1-SG 3.59Å; F177-C182 HydrophobicContact CZ-CB 4.4Å; F177-C182 VanDerWaalsContact CZ-SG 3.52Å; Y179-C182 CarbonylContact O-C 3.53Å; Y179-C182 VanDerWaalsContact O-C 3.29Å; Y179-C182 PolarHBondContact O-N 3.37Å; C182-C230 HydrophobicContact CB-CB 4Å; C182-C230 WeakPolarHBondContact CB-SG 3.47Å; C182-C230 VanDerWaalsContact SG-C 3.56Å; C182-C230 WeakPolarHBondContact SG-CA 3.16Å; C182-C230 WeakPolarHBondContact SG-CB 3.4Å; C182-C230 PolarHBondContact SG-O 3.43Å; C182-C230 CovalentContact SG-SG 2.02Å; C182-C230 PolarHBondContact SG-SG 3.26Å; C182-I534 HydrophobicContact CB-CD1 3.82Å
183	P	86.9	Confident	88	Confident	27 Å²	27	36.6 Å²	36.6	18%	0.175	19%	0.194	C	C	.	.			trans	-51.8	148.5	169.9	-24.7	31.7	0	0	0	111.3	L153 A180 R181 T185 S186	L153-P183 HydrophobicContact CB-CB 3.73Å; L153-P183 HydrophobicContact CB-CG 3.91Å; L153-P183 HydrophobicContact CD1-CB 4.33Å; A180-P183 WeakPolarHBondContact O-CD 3.17Å; R181-P183 WeakPolarHBondContact O-CD 3.47Å; P183-T185 PolarHBondContact O-N 3.46Å; P183-S186 VanDerWaalsContact O-CB 3.26Å; P183-S186 WeakPolarHBondContact O-CB 3.06Å; P183-S186 PolarHBondContact O-N 3.5Å; P183-S186 PolarHBondContact O-OG 3.29Å
184	L	84	Confident	88.1	Confident	86 Å²	86	38.9 Å²	38.9	45%	0.45	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-23.4	179.7	-66.6	176.3	0	0	0	113.5	Q535 V536 F589	L184-Q535 WeakPolarHBondContact CD2-O 3.44Å; L184-V536 HydrophobicContact CD2-CG2 4.48Å; L184-F589 HydrophobicContact CB-CE1 3.96Å
185	T	83.4	Confident	88.2	Confident	32 Å²	32	29 Å²	29	20%	0.196	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	0.7	-175.9	72.9	0	0	0	0	113.2	P150 V151 R152 L153 P183 G187	P150-T185 HydrophobicContact CB-CG2 3.3Å; P150-T185 HydrophobicContact CG-CG2 3.87Å; V151-T185 WeakPolarHBondContact O-CB 3.44Å; V151-T185 PolarHBondContact O-OG1 3.05Å; R152-T185 WeakPolarHBondContact CA-O 3.18Å; L153-T185 WeakPolarHBondContact CB-OG1 3.16Å; L153-T185 WeakPolarHBondContact CG-OG1 3.12Å; L153-T185 PolarHBondContact N-OG1 2.97Å; L153-T185 VanDerWaalsContact N-OG1 3.11Å; P183-T185 PolarHBondContact O-N 3.46Å; T185-G187 PolarHBondContact O-N 3.13Å; T185-G187 VanDerWaalsContact O-N 3.16Å
186	S	82.8	Confident	88.3	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.174	C	C	.	.	S	Bend	trans	-66.7	-15.8	-174.3	63	0	0	0	0	114.5	R152 L153 P183 F188 P189	R152-S186 VanDerWaalsContact CZ-O 3.31Å; R152-S186 PolarHBondContact NE-O 2.56Å; R152-S186 PolarHBondContact NH2-O 3.36Å; R152-S186 VanDerWaalsContact NH2-O 3.09Å; L153-S186 VanDerWaalsContact O-CA 3.28Å; L153-S186 WeakPolarHBondContact O-CA 3.37Å; L153-S186 VanDerWaalsContact O-CB 3.23Å; L153-S186 WeakPolarHBondContact O-CB 3.38Å; P183-S186 VanDerWaalsContact O-CB 3.26Å; P183-S186 WeakPolarHBondContact O-CB 3.06Å; P183-S186 PolarHBondContact O-N 3.5Å; P183-S186 PolarHBondContact O-OG 3.29Å; S186-F188 VanDerWaalsContact C-N 3.26Å; S186-F188 PolarHBondContact O-N 3.14Å; S186-F188 PolarHBondContact OG-N 3.19Å; S186-P189 WeakPolarHBondContact O-CD 3.41Å
187	G	86.4	Confident	88.3	Confident	42 Å²	42	33.5 Å²	33.5	43%	0.433	20%	0.202	S	C	.	.			trans	73.2	15.6	-174.4	0	0	0	0	0	113.9	T185	T185-G187 PolarHBondContact O-N 3.13Å; T185-G187 VanDerWaalsContact O-N 3.16Å
188	F	93.4	Very high	88	Confident	1 Å²	1	35.3 Å²	35.3	0%	0.004	21%	0.209	C	C	.	.			trans	51.2	52.8	175	-164.8	-114	0	0	0	115	S186 V190 Y221 C230 L231 L527 I530 R531 I534 V536	S186-F188 VanDerWaalsContact C-N 3.26Å; S186-F188 PolarHBondContact O-N 3.14Å; S186-F188 PolarHBondContact OG-N 3.19Å; F188-V190 HydrophobicContact CD1-CG2 4.07Å; F188-V190 HydrophobicContact CE1-CG2 3.94Å; F188-V190 PolarHBondContact O-N 3.4Å; F188-Y221 HydrophobicContact CB-CD1 4.05Å; F188-Y221 HydrophobicContact CB-CE1 4.32Å; F188-Y221 HydrophobicContact CD1-CD1 4.08Å; F188-Y221 HydrophobicContact CD1-CG 4.27Å; F188-C230 WeakPolarHBondContact CD2-SG 3.34Å; F188-L231 HydrophobicContact CZ-CB 4.48Å; F188-L231 HydrophobicContact CZ-CD2 4.04Å; F188-L527 HydrophobicContact CE1-CB 4.31Å; F188-L527 HydrophobicContact CE1-CD2 4.22Å; F188-I530 HydrophobicContact CE2-CG2 4.22Å; F188-I530 HydrophobicContact CZ-CB 4.15Å; F188-I530 HydrophobicContact CZ-CG2 3.92Å; F188-R531 HydrophobicContact CD1-CB 4.07Å; F188-R531 HydrophobicContact CD1-CG 4.21Å; F188-R531 HydrophobicContact CD2-CB 4.42Å; F188-R531 HydrophobicContact CD2-CG 4.39Å; F188-R531 HydrophobicContact CE1-CB 3.9Å; F188-R531 HydrophobicContact CE2-CB 4.28Å; F188-R531 HydrophobicContact CG-CB 4.32Å; F188-R531 HydrophobicContact CG-CG 4.13Å; F188-R531 HydrophobicContact CZ-CB 4.02Å; F188-I534 HydrophobicContact CD2-CD1 3.87Å; F188-I534 HydrophobicContact CE2-CD1 3.65Å; F188-V536 HydrophobicContact CB-CG1 4.03Å
189	P	94.2	Very high	87.7	Confident	2 Å²	2	37.6 Å²	37.6	1%	0.013	23%	0.229	C	C	.	.			trans	-66.3	133.8	179.2	26.4	-33.1	0	0	0	111.5	S186 Y221 T223 I228 C230 L231	S186-P189 WeakPolarHBondContact O-CD 3.41Å; P189-Y221 CarbonylContact C-O 3.59Å; P189-Y221 WeakPolarHBondContact CA-O 3.31Å; P189-T223 HydrophobicContact CB-CG2 3.88Å; P189-I228 WeakPolarHBondContact CG-O 3.43Å; P189-C230 HydrophobicContact CG-CB 4.23Å; P189-C230 WeakPolarHBondContact O-CB 3.44Å; P189-C230 PolarHBondContact O-N 3.18Å; P189-L231 PolarHBondContact O-N 2.83Å
190	V	96.3	Very high	87.5	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	123.6	-176.9	-177.1	0	0	0	0	109.8	F188 V192 Y221 V222 T223 L231 L233 L527	F188-V190 HydrophobicContact CD1-CG2 4.07Å; F188-V190 HydrophobicContact CE1-CG2 3.94Å; F188-V190 PolarHBondContact O-N 3.4Å; V190-V192 HydrophobicContact CG1-CG2 4.44Å; V190-Y221 PolarHBondContact N-O 3.37Å; V190-V222 CarbonylContact O-C 3.56Å; V190-V222 VanDerWaalsContact O-CA 3.3Å; V190-V222 WeakPolarHBondContact O-CA 3.33Å; V190-T223 PolarHBondContact O-N 3.47Å; V190-L231 CarbonylContact C-O 3.51Å; V190-L231 WeakPolarHBondContact CA-O 3.4Å; V190-L231 HydrophobicContact CG1-CB 4.38Å; V190-L231 HydrophobicContact CG1-CD2 4.34Å; V190-L231 HydrophobicContact CG2-CB 4.21Å; V190-L231 HydrophobicContact CG2-CD2 4.38Å; V190-L233 HydrophobicContact CG1-CD1 3.71Å; V190-L233 HydrophobicContact CG1-CD2 4.5Å; V190-L233 HydrophobicContact CG1-CG 3.56Å; V190-L527 HydrophobicContact CG1-CD2 4.23Å; V190-L527 HydrophobicContact CG2-CD2 3.89Å
191	Y	95.9	Very high	87.4	Confident	44 Å²	44	30.2 Å²	30.2	17%	0.173	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	134.5	171.3	179.6	-95.9	0	0	0	110	Y193 P226 L231 Y232 L233 Y260	Y191-Y193 HydrophobicContact CD1-CD2 4.4Å; Y191-Y193 AromaticContact CE1-CD1 4Å; Y191-Y193 HydrophobicContact CE1-CD1 4Å; Y191-Y193 HydrophobicContact CE1-CD2 4.34Å; Y191-Y193 HydrophobicContact CE1-CE1 4.18Å; Y191-Y193 HydrophobicContact CE1-CG 4.12Å; Y191-P226 HydrophobicContact CD1-CB 4.38Å; Y191-P226 HydrophobicContact CD2-CB 3.83Å; Y191-P226 HydrophobicContact CE1-CB 4.46Å; Y191-P226 HydrophobicContact CE2-CB 3.95Å; Y191-P226 HydrophobicContact CE2-CG 4.26Å; Y191-P226 HydrophobicContact CG-CB 4.04Å; Y191-L231 PolarHBondContact N-O 2.82Å; Y191-Y232 AromaticContact CD1-CD1 3.68Å; Y191-Y232 HydrophobicContact CD1-CD1 3.68Å; Y191-Y232 HydrophobicContact CD1-CE1 4.06Å; Y191-Y232 HydrophobicContact CG-CD1 4.19Å; Y191-Y232 HydrophobicContact CG-CE1 4.31Å; Y191-Y232 CarbonylContact O-C 3.44Å; Y191-Y232 WeakPolarHBondContact O-CA 3.36Å; Y191-L233 PolarHBondContact O-N 3.21Å; Y191-Y260 HydrophobicContact CD1-CD2 4.48Å; Y191-Y260 AromaticContact CE1-CD2 3.98Å; Y191-Y260 HydrophobicContact CE1-CD2 3.98Å; Y191-Y260 AromaticContact CE1-CE2 3.96Å; Y191-Y260 HydrophobicContact CE1-CE2 3.96Å
192	V	95.8	Very high	87.3	Confident	24 Å²	24	35.2 Å²	35.2	15%	0.145	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	127	178.4	-173.4	0	0	0	0	108.9	V190 F212 V216 V222 L233	V190-V192 HydrophobicContact CG1-CG2 4.44Å; V192-F212 HydrophobicContact CG1-CE1 3.6Å; V192-F212 HydrophobicContact CG1-CZ 3.76Å; V192-V216 HydrophobicContact CB-CG1 4.12Å; V192-V216 HydrophobicContact CG1-CG1 4.34Å; V192-V216 HydrophobicContact CG1-CG2 4.13Å; V192-V216 HydrophobicContact CG2-CG1 3.82Å; V192-V216 HydrophobicContact CG2-CG2 4.11Å; V192-V222 HydrophobicContact CG2-CG1 4.29Å; V192-V222 HydrophobicContact CG2-CG2 4.15Å; V192-L233 HydrophobicContact CG1-CB 4.39Å; V192-L233 HydrophobicContact CG2-CB 4.19Å; V192-L233 HydrophobicContact CG2-CD1 4.15Å
193	Y	93.4	Very high	87.1	Confident	4 Å²	4	37.2 Å²	37.2	2%	0.016	23%	0.225	C	C	.	.			trans	-71.4	133.3	175	-75.6	-87.7	0	0	0	110.9	Y191 T195 Y198 Y232 L233 V234 L258 Y260 H268	Y191-Y193 HydrophobicContact CD1-CD2 4.4Å; Y191-Y193 AromaticContact CE1-CD1 4Å; Y191-Y193 HydrophobicContact CE1-CD1 4Å; Y191-Y193 HydrophobicContact CE1-CD2 4.34Å; Y191-Y193 HydrophobicContact CE1-CE1 4.18Å; Y191-Y193 HydrophobicContact CE1-CG 4.12Å; Y193-T195 PolarHBondContact O-N 3.23Å; Y193-Y198 HydrophobicContact CD1-CE2 4.27Å; Y193-Y198 WeakPolarHBondContact CD1-OH 3.35Å; Y193-Y232 HydrophobicContact CE2-CD1 4.1Å; Y193-Y232 HydrophobicContact CE2-CG 4.46Å; Y193-L233 WeakPolarHBondContact CD2-O 3.47Å; Y193-L233 PolarHBondContact N-O 2.98Å; Y193-V234 HydrophobicContact CD2-CG2 3.52Å; Y193-V234 HydrophobicContact CE2-CG2 3.84Å; Y193-V234 HydrophobicContact CG-CG2 4.36Å; Y193-L258 HydrophobicContact CD1-CD2 3.89Å; Y193-L258 HydrophobicContact CE1-CB 4.08Å; Y193-L258 HydrophobicContact CE1-CD2 3.89Å; Y193-L258 HydrophobicContact CE1-CG 4.44Å; Y193-L258 HydrophobicContact CE2-CD1 4.38Å; Y193-L258 HydrophobicContact CG-CD2 4.38Å; Y193-Y260 AromaticContact CE1-CD2 3.84Å; Y193-Y260 HydrophobicContact CE1-CD2 3.84Å; Y193-Y260 AromaticContact CZ-CD2 3.97Å; Y193-Y260 WeakPolarHBondContact OH-CA 3.09Å; Y193-Y260 VanDerWaalsContact OH-CB 3.23Å; Y193-Y260 WeakPolarHBondContact OH-CB 3.17Å; Y193-Y260 PolarHBondContact OH-N 2.89Å; Y193-H268 AromaticContact CE2-CD2 3.77Å; Y193-H268 AromaticContact CE2-NE2 3.53Å; Y193-H268 AromaticContact CZ-NE2 3.73Å; Y193-H268 PolarHBondContact OH-NE2 3.16Å
194	D	89.3	Confident	87	Confident	84 Å²	84	36.2 Å²	36.2	45%	0.449	22%	0.218	S	C	.	.			trans	-64.2	110.6	168.5	171.4	31.6	0	0	0	109.5	S196 S197 Y198	D194-S196 PolarHBondContact O-N 3.2Å; D194-S196 WeakPolarHBondContact OD1-CB 3.28Å; D194-S196 PolarHBondContact OD1-N 3.23Å; D194-S196 PolarHBondContact OD1-OG 3.12Å; D194-S196 VanDerWaalsContact OD1-OG 3.08Å; D194-S197 WeakPolarHBondContact O-CB 3.26Å; D194-S197 PolarHBondContact O-N 2.91Å; D194-S197 PolarHBondContact OD2-N 3Å; D194-S197 PolarHBondContact OD2-OG 2.98Å; D194-Y198 WeakPolarHBondContact O-CD2 3.33Å; D194-Y198 WeakPolarHBondContact O-CE2 3.49Å
195	T	84.3	Confident	87.2	Confident	11 Å²	11	33.4 Å²	33.4	7%	0.067	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-68.5	-23.7	-176.8	-47.6	0	0	0	0	111.6	Y193 S197 Y198 G201 L204 L235	Y193-T195 PolarHBondContact O-N 3.23Å; T195-S197 PolarHBondContact O-N 3.37Å; T195-Y198 PolarHBondContact O-N 3.2Å; T195-G201 WeakPolarHBondContact O-CA 3.46Å; T195-L204 HydrophobicContact CG2-CD1 3.34Å; T195-L235 HydrophobicContact CG2-CB 4.33Å; T195-L235 HydrophobicContact CG2-CD2 4.41Å
196	S	83.2	Confident	87.4	Confident	57 Å²	57	35.9 Å²	35.9	40%	0.399	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-70.7	-19.4	179.5	-43.3	0	0	0	0	113.5	D194 Y198 K209	D194-S196 PolarHBondContact O-N 3.2Å; D194-S196 WeakPolarHBondContact OD1-CB 3.28Å; D194-S196 PolarHBondContact OD1-N 3.23Å; D194-S196 PolarHBondContact OD1-OG 3.12Å; D194-S196 VanDerWaalsContact OD1-OG 3.08Å; S196-Y198 PolarHBondContact O-N 3.42Å; S196-K209 VanDerWaalsContact OG-CE 3.24Å; S196-K209 WeakPolarHBondContact OG-CE 3.49Å; S196-K209 PolarHBondContact OG-NZ 3.41Å
197	S	84.4	Confident	87.6	Confident	83 Å²	83	38.2 Å²	38.2	58%	0.58	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-77	-5.1	-179.9	-67.8	0	0	0	0	113.5	D194 T195	D194-S197 WeakPolarHBondContact O-CB 3.26Å; D194-S197 PolarHBondContact O-N 2.91Å; D194-S197 PolarHBondContact OD2-N 3Å; D194-S197 PolarHBondContact OD2-OG 2.98Å; T195-S197 PolarHBondContact O-N 3.37Å
198	Y	84.3	Confident	87.7	Confident	50 Å²	50	36.2 Å²	36.2	20%	0.196	21%	0.211	C	C	.	.	S	Bend	trans	-127.3	147.6	-171.6	-55	-74.9	0	0	0	113.3	Y193 D194 T195 S196 W200 G201 L258	Y193-Y198 HydrophobicContact CD1-CE2 4.27Å; Y193-Y198 WeakPolarHBondContact CD1-OH 3.35Å; D194-Y198 WeakPolarHBondContact O-CD2 3.33Å; D194-Y198 WeakPolarHBondContact O-CE2 3.49Å; T195-Y198 PolarHBondContact O-N 3.2Å; S196-Y198 PolarHBondContact O-N 3.42Å; Y198-W200 AromaticContact CD1-CH2 3.65Å; Y198-W200 HydrophobicContact CD1-CH2 3.65Å; Y198-W200 HydrophobicContact CD1-CZ2 4.45Å; Y198-W200 AromaticContact CD1-CZ3 3.82Å; Y198-W200 HydrophobicContact CD1-CZ3 3.82Å; Y198-W200 HydrophobicContact CD2-CH2 4Å; Y198-W200 AromaticContact CD2-CZ2 4Å; Y198-W200 HydrophobicContact CD2-CZ2 4Å; Y198-W200 HydrophobicContact CE1-CH2 4.39Å; Y198-W200 HydrophobicContact CG-CE3 4.36Å; Y198-W200 AromaticContact CG-CH2 3.43Å; Y198-W200 HydrophobicContact CG-CH2 3.43Å; Y198-W200 VanDerWaalsContact CG-CH2 3.43Å; Y198-W200 AromaticContact CG-CZ2 3.81Å; Y198-W200 HydrophobicContact CG-CZ2 3.81Å; Y198-W200 AromaticContact CG-CZ3 3.71Å; Y198-W200 HydrophobicContact CG-CZ3 3.71Å; Y198-W200 PolarHBondContact O-N 3.25Å; Y198-G201 PolarHBondContact O-N 2.76Å; Y198-L258 HydrophobicContact CD1-CD2 4.1Å; Y198-L258 HydrophobicContact CD2-CD2 4.36Å; Y198-L258 HydrophobicContact CE1-CD2 3.46Å; Y198-L258 VanDerWaalsContact CE1-CD2 3.46Å; Y198-L258 HydrophobicContact CE2-CD2 3.77Å; Y198-L258 WeakPolarHBondContact OH-CD2 3.15Å
199	A	80.6	Confident	87.5	Confident	60 Å²	60	38.8 Å²	38.8	50%	0.496	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-58.7	-41	-172.8	0	0	0	0	0	113.7	G201 N202	A199-G201 VanDerWaalsContact C-N 3.27Å; A199-G201 PolarHBondContact O-N 3.48Å; A199-N202 PolarHBondContact O-N 3.32Å
200	W	82.3	Confident	87.3	Confident	12 Å²	12	44.4 Å²	44.4	5%	0.045	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-66.3	-31.2	177.4	69.6	89.6	0	0	0	112.5	Y198 N202 N203 V234 L235 L251 Q254 L258	Y198-W200 AromaticContact CD1-CH2 3.65Å; Y198-W200 HydrophobicContact CD1-CH2 3.65Å; Y198-W200 HydrophobicContact CD1-CZ2 4.45Å; Y198-W200 AromaticContact CD1-CZ3 3.82Å; Y198-W200 HydrophobicContact CD1-CZ3 3.82Å; Y198-W200 HydrophobicContact CD2-CH2 4Å; Y198-W200 AromaticContact CD2-CZ2 4Å; Y198-W200 HydrophobicContact CD2-CZ2 4Å; Y198-W200 HydrophobicContact CE1-CH2 4.39Å; Y198-W200 HydrophobicContact CG-CE3 4.36Å; Y198-W200 AromaticContact CG-CH2 3.43Å; Y198-W200 HydrophobicContact CG-CH2 3.43Å; Y198-W200 VanDerWaalsContact CG-CH2 3.43Å; Y198-W200 AromaticContact CG-CZ2 3.81Å; Y198-W200 HydrophobicContact CG-CZ2 3.81Å; Y198-W200 AromaticContact CG-CZ3 3.71Å; Y198-W200 HydrophobicContact CG-CZ3 3.71Å; Y198-W200 PolarHBondContact O-N 3.25Å; W200-N202 PolarHBondContact O-N 3.39Å; W200-N203 PolarHBondContact O-N 2.77Å; W200-N203 VanDerWaalsContact O-N 3.09Å; W200-V234 HydrophobicContact CZ2-CG1 4.05Å; W200-L235 PolarHBondContact NE1-O 3.49Å; W200-L251 HydrophobicContact CD2-CD1 4.44Å; W200-L251 HydrophobicContact CG-CD1 4.42Å; W200-Q254 HydrophobicContact CE3-CB 3.82Å; W200-Q254 HydrophobicContact CE3-CG 4.27Å; W200-Q254 HydrophobicContact CZ3-CB 3.55Å; W200-Q254 HydrophobicContact CZ3-CG 4.25Å; W200-L258 HydrophobicContact CH2-CD2 3.83Å; W200-L258 HydrophobicContact CH2-CG 4.28Å; W200-L258 HydrophobicContact CZ2-CD2 4.34Å
201	G	82.1	Confident	86.9	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.01	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-69.8	-17.4	-177.6	0	0	0	0	0	114.9	T195 Y198 A199 N203	T195-G201 WeakPolarHBondContact O-CA 3.46Å; Y198-G201 PolarHBondContact O-N 2.76Å; A199-G201 VanDerWaalsContact C-N 3.27Å; A199-G201 PolarHBondContact O-N 3.48Å; G201-N203 VanDerWaalsContact C-N 3.32Å
202	N	81.9	Confident	86.7	Confident	115 Å²	115	42.7 Å²	42.7	62%	0.615	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-75.7	-22.7	172.3	-70.4	-25.9	0	0	0	112.7	A199 W200	A199-N202 PolarHBondContact O-N 3.32Å; W200-N202 PolarHBondContact O-N 3.39Å
203	N	83.6	Confident	86.5	Confident	47 Å²	47	44.3 Å²	44.3	25%	0.251	26%	0.258	S	S	.	.	S	Bend	trans	-94.3	-4.8	-176.8	-60.4	-17.2	0	0	0	112.6	W200 G201 I239 L240	W200-N203 PolarHBondContact O-N 2.77Å; W200-N203 VanDerWaalsContact O-N 3.09Å; G201-N203 VanDerWaalsContact C-N 3.32Å; N203-I239 HydrophobicContact CB-CG2 3.97Å; N203-I239 CarbonylContact O-C 3.57Å; N203-I239 WeakPolarHBondContact O-CA 3.41Å; N203-I239 WeakPolarHBondContact O-CG2 3.19Å; N203-L240 PolarHBondContact O-N 2.82Å
204	L	86.3	Confident	86.3	Confident	6 Å²	6	46.7 Å²	46.7	3%	0.031	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-68.5	148.9	-179.9	-65.9	178.7	0	0	0	112.1	T195 P206 L235 V236 G237 E238 I239	T195-L204 HydrophobicContact CG2-CD1 3.34Å; L204-P206 WeakPolarHBondContact O-CD 3.45Å; L204-L235 HydrophobicContact CD1-CD2 3.87Å; L204-L235 HydrophobicContact CD1-CG 4.04Å; L204-V236 VanDerWaalsContact CD2-O 3.24Å; L204-V236 WeakPolarHBondContact CD2-O 3.38Å; L204-G237 WeakPolarHBondContact CD2-O 3.15Å; L204-E238 WeakPolarHBondContact CA-O 3.17Å; L204-I239 HydrophobicContact CD2-CG1 4.4Å
205	D	86.8	Confident	86.4	Confident	27 Å²	27	42.9 Å²	42.9	14%	0.144	26%	0.258	C	S	.	.			trans	-53.5	121.8	170.5	-177.7	-80.7	0	0	0	110.3	L207 V208 K209 E238 R275	D205-L207 PolarHBondContact O-N 2.78Å; D205-L207 WeakPolarHBondContact OD1-CA 3.37Å; D205-L207 WeakPolarHBondContact OD1-CB 3.34Å; D205-L207 PolarHBondContact OD1-N 3.39Å; D205-V208 HydrophobicContact CB-CB 4.17Å; D205-V208 HydrophobicContact CB-CG2 3.93Å; D205-V208 PolarHBondContact O-N 2.67Å; D205-V208 VanDerWaalsContact O-N 3.16Å; D205-V208 PolarHBondContact OD1-N 2.98Å; D205-V208 VanDerWaalsContact OD1-N 3.07Å; D205-K209 PolarHBondContact O-N 3.41Å; D205-E238 PolarHBondContact N-O 2.8Å; D205-R275 IonicContact OD1-NH1 2.68Å
206	P	88.4	Confident	86.9	Confident	83 Å²	83	43.5 Å²	43.5	54%	0.539	26%	0.262	S	S	.	.	H	α-helix	trans	-58.1	-33.3	-176.5	-28.2	34.2	0	0	0	113.4	L204 K209 Q210 L240	L204-P206 WeakPolarHBondContact O-CD 3.45Å; P206-K209 PolarHBondContact O-N 2.82Å; P206-Q210 WeakPolarHBondContact O-CB 3.2Å; P206-Q210 PolarHBondContact O-N 2.98Å; P206-L240 VanDerWaalsContact CD-CD1 3.48Å; P206-L240 HydrophobicContact CG-CD1 4.19Å
207	L	87.5	Confident	87.3	Confident	50 Å²	50	50 Å²	50	26%	0.262	28%	0.283	S	S	.	.	H	α-helix	trans	-71.3	-42.5	-179.9	-163.2	74.9	0	0	0	110.8	D205 K209 Q210 A211 A317 L318	D205-L207 PolarHBondContact O-N 2.78Å; D205-L207 WeakPolarHBondContact OD1-CA 3.37Å; D205-L207 WeakPolarHBondContact OD1-CB 3.34Å; D205-L207 PolarHBondContact OD1-N 3.39Å; L207-K209 VanDerWaalsContact C-N 3.32Å; L207-K209 PolarHBondContact O-N 2.93Å; L207-Q210 PolarHBondContact O-N 3.07Å; L207-A211 WeakPolarHBondContact O-CB 3.26Å; L207-A211 PolarHBondContact O-N 3.2Å; L207-A317 HydrophobicContact CD2-CB 3.52Å; L207-A317 HydrophobicContact CG-CB 3.79Å; L207-L318 HydrophobicContact CD1-CD1 3.38Å; L207-L318 HydrophobicContact CD1-CG 3.93Å; L207-L318 HydrophobicContact CG-CD1 4.36Å; L207-L318 HydrophobicContact CG-CG 4.46Å
208	V	88.2	Confident	87.5	Confident	0 Å²	0	49 Å²	49	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-61	-44	174.5	175.3	0	0	0	0	110.6	D205 A211 F212 L235 F273 R275	D205-V208 HydrophobicContact CB-CB 4.17Å; D205-V208 HydrophobicContact CB-CG2 3.93Å; D205-V208 PolarHBondContact O-N 2.67Å; D205-V208 VanDerWaalsContact O-N 3.16Å; D205-V208 PolarHBondContact OD1-N 2.98Å; D205-V208 VanDerWaalsContact OD1-N 3.07Å; V208-A211 PolarHBondContact O-N 3.31Å; V208-F212 WeakPolarHBondContact O-CB 3.16Å; V208-F212 PolarHBondContact O-N 3.27Å; V208-L235 HydrophobicContact CG1-CD1 4.41Å; V208-F273 HydrophobicContact CG1-CB 3.84Å; V208-F273 HydrophobicContact CG1-CD2 4.12Å; V208-R275 HydrophobicContact CG2-CG 3.86Å
209	K	89.3	Confident	87.9	Confident	55 Å²	55	47.2 Å²	47.2	24%	0.239	27%	0.27	C	S	.	.	H	α-helix	trans	-62.4	-46.1	178	-172.4	176.5	-179.9	175.8	0	111.8	S196 D205 P206 L207 A213	S196-K209 VanDerWaalsContact OG-CE 3.24Å; S196-K209 WeakPolarHBondContact OG-CE 3.49Å; S196-K209 PolarHBondContact OG-NZ 3.41Å; D205-K209 PolarHBondContact O-N 3.41Å; P206-K209 PolarHBondContact O-N 2.82Å; L207-K209 VanDerWaalsContact C-N 3.32Å; L207-K209 PolarHBondContact O-N 2.93Å; K209-A213 WeakPolarHBondContact O-CB 3.44Å; K209-A213 PolarHBondContact O-N 3.04Å
210	Q	89.7	Confident	88.5	Confident	120 Å²	120	49.1 Å²	49.1	56%	0.561	27%	0.271	S	S	*	.	H	α-helix	trans	-65.3	-45.5	178.2	-175.1	179.6	6.2	0	0	111.9	P206 L207 A213 A214 L318	P206-Q210 WeakPolarHBondContact O-CB 3.2Å; P206-Q210 PolarHBondContact O-N 2.98Å; L207-Q210 PolarHBondContact O-N 3.07Å; Q210-A213 PolarHBondContact O-N 3.09Å; Q210-A214 WeakPolarHBondContact O-CB 3.27Å; Q210-A214 PolarHBondContact O-N 2.66Å; Q210-L318 HydrophobicContact CG-CD1 4.21Å; Q210-L318 HydrophobicContact CG-CD2 4.3Å
211	A	88.8	Confident	89.1	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-59.2	-50	178.1	0	0	0	0	0	111.2	L207 V208 A213 A214 S215 A317 L318	L207-A211 WeakPolarHBondContact O-CB 3.26Å; L207-A211 PolarHBondContact O-N 3.2Å; V208-A211 PolarHBondContact O-N 3.31Å; A211-A213 PolarHBondContact O-N 2.99Å; A211-A214 PolarHBondContact O-N 3.25Å; A211-S215 PolarHBondContact O-N 3.04Å; A211-S215 PolarHBondContact O-OG 2.96Å; A211-A317 HydrophobicContact CB-CB 4.2Å; A211-A317 WeakPolarHBondContact CB-O 3.3Å; A211-L318 HydrophobicContact CB-CD2 3.95Å; A211-L318 HydrophobicContact CB-CG 4.48Å
212	F	90.6	Very high	89.7	Confident	7 Å²	7	51.4 Å²	51.4	3%	0.031	28%	0.283	C	S	.	.	H	α-helix	trans	-61.3	-45	177.4	-178.9	-111.2	0	0	0	112.3	V192 V208 A214 S215 V216 L235 F273 L523	V192-F212 HydrophobicContact CG1-CE1 3.6Å; V192-F212 HydrophobicContact CG1-CZ 3.76Å; V208-F212 WeakPolarHBondContact O-CB 3.16Å; V208-F212 PolarHBondContact O-N 3.27Å; F212-A214 VanDerWaalsContact C-N 3.31Å; F212-A214 PolarHBondContact O-N 2.83Å; F212-S215 PolarHBondContact O-N 3.25Å; F212-V216 HydrophobicContact CD1-CG2 4.15Å; F212-V216 HydrophobicContact CD2-CG2 4.17Å; F212-V216 HydrophobicContact CE1-CG2 3.86Å; F212-V216 HydrophobicContact CE2-CG2 3.92Å; F212-V216 HydrophobicContact CG-CG2 4.33Å; F212-V216 HydrophobicContact CZ-CG2 3.76Å; F212-V216 WeakPolarHBondContact O-CB 3.35Å; F212-V216 WeakPolarHBondContact O-CG2 3.25Å; F212-V216 PolarHBondContact O-N 3.18Å; F212-L235 HydrophobicContact CB-CD2 4.07Å; F212-L235 HydrophobicContact CD1-CB 3.98Å; F212-L235 HydrophobicContact CD1-CD1 4.39Å; F212-L235 HydrophobicContact CD1-CD2 3.75Å; F212-L235 HydrophobicContact CD1-CG 4.26Å; F212-L235 HydrophobicContact CE1-CB 3.84Å; F212-L235 HydrophobicContact CE1-CD2 4.46Å; F212-L235 HydrophobicContact CG-CD1 4.23Å; F212-L235 HydrophobicContact CG-CD2 4.07Å; F212-L235 HydrophobicContact CZ-CB 4.37Å; F212-F273 HydrophobicContact CB-CE2 4.39Å; F212-F273 AromaticContact CD2-CE2 3.64Å; F212-F273 HydrophobicContact CD2-CE2 3.64Å; F212-F273 HydrophobicContact CD2-CZ 4.41Å; F212-F273 HydrophobicContact CE2-CE2 4.3Å; F212-F273 HydrophobicContact CG-CE2 4.35Å; F212-L523 HydrophobicContact CD2-CD1 4.49Å; F212-L523 HydrophobicContact CD2-CD2 4.45Å; F212-L523 HydrophobicContact CE2-CD1 3.9Å; F212-L523 HydrophobicContact CE2-CD2 4.31Å
213	A	91.2	Very high	90.3	Very high	59 Å²	59	47.3 Å²	47.3	49%	0.488	26%	0.263	S	S	.	.	H	α-helix	trans	-61.5	-38.7	178.1	0	0	0	0	0	112.4	K209 Q210 A211 K217	K209-A213 WeakPolarHBondContact O-CB 3.44Å; K209-A213 PolarHBondContact O-N 3.04Å; Q210-A213 PolarHBondContact O-N 3.09Å; A211-A213 PolarHBondContact O-N 2.99Å; A213-K217 PolarHBondContact O-N 3.46Å
214	A	90.5	Very high	90.7	Very high	54 Å²	54	52.3 Å²	52.3	45%	0.446	29%	0.29	S	S	.	.	H	α-helix	trans	-63.9	-47.8	174.4	0	0	0	0	0	111.5	Q210 A211 F212 V216 K217 S218	Q210-A214 WeakPolarHBondContact O-CB 3.27Å; Q210-A214 PolarHBondContact O-N 2.66Å; A211-A214 PolarHBondContact O-N 3.25Å; F212-A214 VanDerWaalsContact C-N 3.31Å; F212-A214 PolarHBondContact O-N 2.83Å; A214-V216 VanDerWaalsContact C-N 3.3Å; A214-V216 PolarHBondContact O-N 3.16Å; A214-K217 PolarHBondContact O-N 2.82Å; A214-S218 PolarHBondContact O-N 3.38Å
215	S	91.3	Very high	91	Very high	3 Å²	3	55.3 Å²	55.3	2%	0.021	31%	0.305	C	S	.	.	H	α-helix	trans	-62.9	-33.9	178.1	-51.5	0	0	0	0	113.2	A211 F212 S218 N219 S519 E520	A211-S215 PolarHBondContact O-N 3.04Å; A211-S215 PolarHBondContact O-OG 2.96Å; F212-S215 PolarHBondContact O-N 3.25Å; S215-S218 PolarHBondContact O-OG 3.38Å; S215-N219 WeakPolarHBondContact O-CB 3.33Å; S215-N219 PolarHBondContact O-N 3.12Å; S215-S519 PolarHBondContact OG-OG 3.09Å; S215-E520 WeakPolarHBondContact OG-CA 3.42Å; S215-E520 PolarHBondContact OG-N 3.26Å
216	V	93.8	Very high	91.1	Very high	24 Å²	24	55 Å²	55	15%	0.145	31%	0.305	C	S	.	.	H	α-helix	trans	-68.8	-36.7	177.2	168	0	0	0	0	111.1	V192 F212 A214 N219 V222 L523	V192-V216 HydrophobicContact CB-CG1 4.12Å; V192-V216 HydrophobicContact CG1-CG1 4.34Å; V192-V216 HydrophobicContact CG1-CG2 4.13Å; V192-V216 HydrophobicContact CG2-CG1 3.82Å; V192-V216 HydrophobicContact CG2-CG2 4.11Å; F212-V216 HydrophobicContact CD1-CG2 4.15Å; F212-V216 HydrophobicContact CD2-CG2 4.17Å; F212-V216 HydrophobicContact CE1-CG2 3.86Å; F212-V216 HydrophobicContact CE2-CG2 3.92Å; F212-V216 HydrophobicContact CG-CG2 4.33Å; F212-V216 HydrophobicContact CZ-CG2 3.76Å; F212-V216 WeakPolarHBondContact O-CB 3.35Å; F212-V216 WeakPolarHBondContact O-CG2 3.25Å; F212-V216 PolarHBondContact O-N 3.18Å; A214-V216 VanDerWaalsContact C-N 3.3Å; A214-V216 PolarHBondContact O-N 3.16Å; V216-N219 PolarHBondContact O-N 3.39Å; V216-V222 HydrophobicContact CG1-CB 4.5Å; V216-V222 HydrophobicContact CG1-CG1 3.83Å; V216-V222 HydrophobicContact CG1-CG2 4.03Å; V216-L523 HydrophobicContact CG2-CD2 3.9Å
217	K	91.1	Very high	91.1	Very high	194 Å²	194	54.1 Å²	54.1	84%	0.843	30%	0.301	S	S	*	.	H	α-helix	trans	-69.7	-34.2	-177.9	-170.8	-178.7	178.1	-174.7	0	113.3	A213 A214	A213-K217 PolarHBondContact O-N 3.46Å; A214-K217 PolarHBondContact O-N 2.82Å
218	S	89.1	Confident	91.2	Very high	61 Å²	61	53.4 Å²	53.4	43%	0.427	30%	0.297	S	S	.	.	H	α-helix	trans	-81.9	-14.6	178.1	62.8	0	0	0	0	113.4	A214 S215 E520	A214-S218 PolarHBondContact O-N 3.38Å; S215-S218 PolarHBondContact O-OG 3.38Å; S218-E520 PolarHBondContact OG-OE1 2.61Å
219	N	93.3	Very high	91.4	Very high	13 Å²	13	53.4 Å²	53.4	7%	0.07	30%	0.297	C	S	.	.			trans	-78.7	128.4	-169.2	-166.6	-71.1	0	0	0	113.5	S215 V216 Y221 V222 N524 L527	S215-N219 WeakPolarHBondContact O-CB 3.33Å; S215-N219 PolarHBondContact O-N 3.12Å; V216-N219 PolarHBondContact O-N 3.39Å; N219-Y221 VanDerWaalsContact C-N 3.29Å; N219-Y221 PolarHBondContact O-N 3.4Å; N219-Y221 WeakPolarHBondContact OD1-CB 3.28Å; N219-Y221 WeakPolarHBondContact OD1-CD2 3.48Å; N219-Y221 PolarHBondContact OD1-N 3.14Å; N219-V222 HydrophobicContact CB-CG2 3.8Å; N219-V222 PolarHBondContact O-N 3.05Å; N219-N524 PolarHBondContact ND2-OD1 2.92Å; N219-L527 WeakPolarHBondContact ND2-CD1 3.33Å
220	I	92.4	Very high	91.5	Very high	100 Å²	100	50.8 Å²	50.8	51%	0.513	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-20.1	-177.4	65.8	-177.8	0	0	0	115.1	A539	I220-A539 HydrophobicContact CD1-CB 3.37Å; I220-A539 HydrophobicContact CG1-CB 4.35Å
221	Y	94.8	Very high	91.8	Very high	21 Å²	21	45 Å²	45	8%	0.082	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-16.7	-177.3	-60.4	-74.1	0	0	0	112.5	F188 P189 V190 N219 A539	F188-Y221 HydrophobicContact CB-CD1 4.05Å; F188-Y221 HydrophobicContact CB-CE1 4.32Å; F188-Y221 HydrophobicContact CD1-CD1 4.08Å; F188-Y221 HydrophobicContact CD1-CG 4.27Å; P189-Y221 CarbonylContact C-O 3.59Å; P189-Y221 WeakPolarHBondContact CA-O 3.31Å; V190-Y221 PolarHBondContact N-O 3.37Å; N219-Y221 VanDerWaalsContact C-N 3.29Å; N219-Y221 PolarHBondContact O-N 3.4Å; N219-Y221 WeakPolarHBondContact OD1-CB 3.28Å; N219-Y221 WeakPolarHBondContact OD1-CD2 3.48Å; N219-Y221 PolarHBondContact OD1-N 3.14Å; Y221-A539 HydrophobicContact CE1-CB 3.99Å; Y221-A539 PolarHBondContact OH-N 3.41Å
222	V	95.2	Very high	92.1	Very high	40 Å²	40	45.1 Å²	45.1	24%	0.242	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-69.9	137.3	-175.7	172.8	0	0	0	0	110.7	V190 V192 V216 N219	V190-V222 CarbonylContact O-C 3.56Å; V190-V222 VanDerWaalsContact O-CA 3.3Å; V190-V222 WeakPolarHBondContact O-CA 3.33Å; V192-V222 HydrophobicContact CG2-CG1 4.29Å; V192-V222 HydrophobicContact CG2-CG2 4.15Å; V216-V222 HydrophobicContact CG1-CB 4.5Å; V216-V222 HydrophobicContact CG1-CG1 3.83Å; V216-V222 HydrophobicContact CG1-CG2 4.03Å; N219-V222 HydrophobicContact CB-CG2 3.8Å; N219-V222 PolarHBondContact O-N 3.05Å
223	T	93.9	Very high	92.4	Very high	29 Å²	29	44.8 Å²	44.8	18%	0.178	26%	0.258	C	S	.	.			trans	-133.9	143.7	177	-171.8	0	0	0	0	111.8	P189 V190 N225 I228	P189-T223 HydrophobicContact CB-CG2 3.88Å; V190-T223 PolarHBondContact O-N 3.47Å; T223-N225 VanDerWaalsContact C-N 3.29Å; T223-N225 PolarHBondContact OG1-N 3.08Å; T223-I228 HydrophobicContact CG2-CD1 4.5Å; T223-I228 HydrophobicContact CG2-CG1 4.27Å
224	D	92.6	Very high	92.5	Very high	153 Å²	153	42.1 Å²	42.1	82%	0.818	24%	0.235	S	C	*	.	S	Bend	trans	-78	-15	174	-57.6	-46	0	0	0	112.8	P226	D224-P226 VanDerWaalsContact O-CD 3.25Å; D224-P226 WeakPolarHBondContact O-CD 3.48Å
225	N	91.9	Very high	92.6	Very high	68 Å²	68	39.5 Å²	39.5	36%	0.364	21%	0.214	S	C	.	.			trans	-95.6	107.6	-176.5	-176	-7.9	0	0	0	111.6	T223 S227 I228	T223-N225 VanDerWaalsContact C-N 3.29Å; T223-N225 PolarHBondContact OG1-N 3.08Å; N225-S227 VanDerWaalsContact C-N 3.27Å; N225-S227 PolarHBondContact ND2-OG 3.16Å; N225-S227 PolarHBondContact O-N 2.77Å; N225-S227 WeakPolarHBondContact OD1-CB 3.41Å; N225-S227 PolarHBondContact OD1-N 3.08Å; N225-S227 PolarHBondContact OD1-OG 3.42Å; N225-I228 HydrophobicContact CB-CD1 4.15Å; N225-I228 HydrophobicContact CB-CG1 3.95Å; N225-I228 VanDerWaalsContact O-CG1 3.32Å; N225-I228 WeakPolarHBondContact O-CG1 3.18Å
226	P	90.4	Very high	92.4	Very high	22 Å²	22	39.5 Å²	39.5	14%	0.143	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-17.8	-177.2	28.3	-34.7	0	0	0	113.6	R181 Y191 D224 Y232 Y260	R181-P226 PolarHBondContact NH2-O 3.41Å; Y191-P226 HydrophobicContact CD1-CB 4.38Å; Y191-P226 HydrophobicContact CD2-CB 3.83Å; Y191-P226 HydrophobicContact CE1-CB 4.46Å; Y191-P226 HydrophobicContact CE2-CB 3.95Å; Y191-P226 HydrophobicContact CE2-CG 4.26Å; Y191-P226 HydrophobicContact CG-CB 4.04Å; D224-P226 VanDerWaalsContact O-CD 3.25Å; D224-P226 WeakPolarHBondContact O-CD 3.48Å; P226-Y232 HydrophobicContact CB-CE1 4.24Å; P226-Y232 PolarHBondContact O-OH 2.95Å; P226-Y260 HydrophobicContact CB-CD1 4.26Å; P226-Y260 HydrophobicContact CB-CD2 3.95Å; P226-Y260 HydrophobicContact CB-CE1 3.96Å; P226-Y260 HydrophobicContact CB-CE2 3.63Å; P226-Y260 HydrophobicContact CB-CG 4.26Å; P226-Y260 HydrophobicContact CG-CE1 3.89Å; P226-Y260 HydrophobicContact CG-CE2 3.84Å; P226-Y260 VanDerWaalsContact CG-CZ 3.43Å; P226-Y260 WeakPolarHBondContact CG-OH 3.32Å
227	S	87.8	Confident	91.6	Very high	64 Å²	64	38.4 Å²	38.4	45%	0.448	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-36.4	-178.9	64.2	0	0	0	0	112.5	R181 N225	R181-S227 PolarHBondContact NH2-O 3.21Å; N225-S227 VanDerWaalsContact C-N 3.27Å; N225-S227 PolarHBondContact ND2-OG 3.16Å; N225-S227 PolarHBondContact O-N 2.77Å; N225-S227 WeakPolarHBondContact OD1-CB 3.41Å; N225-S227 PolarHBondContact OD1-N 3.08Å; N225-S227 PolarHBondContact OD1-OG 3.42Å
228	I	89.5	Confident	91.1	Very high	34 Å²	34	29.9 Å²	29.9	17%	0.174	17%	0.17	C	C	.	.	S	Bend	trans	-87.6	-7.2	-179.1	65.7	169.7	0	0	0	113.1	L154 P189 T223 N225 C230	L154-I228 HydrophobicContact CD1-CG2 3.9Å; L154-I228 HydrophobicContact CD2-CB 4.2Å; L154-I228 HydrophobicContact CD2-CG2 4.46Å; P189-I228 WeakPolarHBondContact CG-O 3.43Å; T223-I228 HydrophobicContact CG2-CD1 4.5Å; T223-I228 HydrophobicContact CG2-CG1 4.27Å; N225-I228 HydrophobicContact CB-CD1 4.15Å; N225-I228 HydrophobicContact CB-CG1 3.95Å; N225-I228 VanDerWaalsContact O-CG1 3.32Å; N225-I228 WeakPolarHBondContact O-CG1 3.18Å; I228-C230 PolarHBondContact O-N 2.92Å
229	A	91.9	Very high	90.6	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.155	C	C	.	.			trans	-66.1	130.1	-174.2	0	0	0	0	0	112	R181 Y232	R181-A229 VanDerWaalsContact CZ-O 3.28Å; R181-A229 PolarHBondContact NH2-O 2.83Å; R181-A229 VanDerWaalsContact NH2-O 3.13Å; A229-Y232 HydrophobicContact CB-CE1 4.19Å; A229-Y232 HydrophobicContact CB-CE2 4.37Å
230	C	92.4	Very high	89.8	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.169	C	C	.	.	S	Bend	trans	-79.7	-40.6	170.4	154	0	0	0	0	110.2	R181 C182 F188 P189 I228 N267	R181-C230 WeakPolarHBondContact O-CA 3.28Å; R181-C230 WeakPolarHBondContact O-CB 3.23Å; C182-C230 HydrophobicContact CB-CB 4Å; C182-C230 WeakPolarHBondContact CB-SG 3.47Å; C182-C230 VanDerWaalsContact SG-C 3.56Å; C182-C230 WeakPolarHBondContact SG-CA 3.16Å; C182-C230 WeakPolarHBondContact SG-CB 3.4Å; C182-C230 PolarHBondContact SG-O 3.43Å; C182-C230 CovalentContact SG-SG 2.02Å; C182-C230 PolarHBondContact SG-SG 3.26Å; F188-C230 WeakPolarHBondContact CD2-SG 3.34Å; P189-C230 HydrophobicContact CG-CB 4.23Å; P189-C230 WeakPolarHBondContact O-CB 3.44Å; P189-C230 PolarHBondContact O-N 3.18Å; I228-C230 PolarHBondContact O-N 2.92Å; C230-N267 VanDerWaalsContact O-CB 3.26Å; C230-N267 WeakPolarHBondContact O-CB 3.48Å; C230-N267 PolarHBondContact O-ND2 3.4Å
231	L	95.1	Very high	88.5	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	145.9	-176.6	-170	74.6	0	0	0	111.4	F177 F188 P189 V190 Y191 L233 N267 V269 L527 I530	F177-L231 HydrophobicContact CE2-CD1 4.22Å; F188-L231 HydrophobicContact CZ-CB 4.48Å; F188-L231 HydrophobicContact CZ-CD2 4.04Å; P189-L231 PolarHBondContact O-N 2.83Å; V190-L231 CarbonylContact C-O 3.51Å; V190-L231 WeakPolarHBondContact CA-O 3.4Å; V190-L231 HydrophobicContact CG1-CB 4.38Å; V190-L231 HydrophobicContact CG1-CD2 4.34Å; V190-L231 HydrophobicContact CG2-CB 4.21Å; V190-L231 HydrophobicContact CG2-CD2 4.38Å; Y191-L231 PolarHBondContact N-O 2.82Å; L231-L233 HydrophobicContact CD2-CD2 3.81Å; L231-L233 HydrophobicContact CD2-CG 4.47Å; L231-L233 HydrophobicContact CG-CD2 4.41Å; L231-N267 WeakPolarHBondContact CD1-O 3.38Å; L231-V269 HydrophobicContact CD1-CG2 3.63Å; L231-V269 HydrophobicContact CD2-CG2 4.19Å; L231-V269 HydrophobicContact CG-CG2 4.23Å; L231-L527 HydrophobicContact CD2-CD2 3.88Å; L231-I530 HydrophobicContact CD1-CD1 4.46Å; L231-I530 HydrophobicContact CD1-CG2 4.35Å; L231-I530 HydrophobicContact CD2-CD1 3.78Å
232	Y	95.4	Very high	86.9	Confident	2 Å²	2	37.5 Å²	37.5	1%	0.008	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	122.5	173.9	-63	-95.6	0	0	0	110.6	R181 Y191 Y193 P226 A229 Y260 N267 H268 V269	R181-Y232 VanDerWaalsContact CZ-OH 3.26Å; R181-Y232 PolarHBondContact NH1-OH 2.99Å; R181-Y232 PolarHBondContact NH2-OH 2.77Å; Y191-Y232 AromaticContact CD1-CD1 3.68Å; Y191-Y232 HydrophobicContact CD1-CD1 3.68Å; Y191-Y232 HydrophobicContact CD1-CE1 4.06Å; Y191-Y232 HydrophobicContact CG-CD1 4.19Å; Y191-Y232 HydrophobicContact CG-CE1 4.31Å; Y191-Y232 CarbonylContact O-C 3.44Å; Y191-Y232 WeakPolarHBondContact O-CA 3.36Å; Y193-Y232 HydrophobicContact CE2-CD1 4.1Å; Y193-Y232 HydrophobicContact CE2-CG 4.46Å; P226-Y232 HydrophobicContact CB-CE1 4.24Å; P226-Y232 PolarHBondContact O-OH 2.95Å; A229-Y232 HydrophobicContact CB-CE1 4.19Å; A229-Y232 HydrophobicContact CB-CE2 4.37Å; Y232-Y260 HydrophobicContact CE1-CD2 4.21Å; Y232-Y260 HydrophobicContact CE1-CG 4.03Å; Y232-N267 PolarHBondContact N-O 3.28Å; Y232-H268 AromaticContact CD2-CE1 3.71Å; Y232-H268 AromaticContact CG-CE1 3.65Å; Y232-H268 AromaticContact CG-NE2 3.73Å; Y232-H268 CarbonylContact O-C 3.16Å; Y232-H268 VanDerWaalsContact O-CA 3.31Å; Y232-H268 WeakPolarHBondContact O-CA 3.33Å; Y232-V269 PolarHBondContact O-N 2.92Å
233	L	96	Very high	85.5	Confident	0 Å²	0	37 Å²	37	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	131.4	176.7	-64.3	-175.8	0	0	0	111.4	V190 Y191 V192 Y193 L231 V269 V271 L523 L527	V190-L233 HydrophobicContact CG1-CD1 3.71Å; V190-L233 HydrophobicContact CG1-CD2 4.5Å; V190-L233 HydrophobicContact CG1-CG 3.56Å; Y191-L233 PolarHBondContact O-N 3.21Å; V192-L233 HydrophobicContact CG1-CB 4.39Å; V192-L233 HydrophobicContact CG2-CB 4.19Å; V192-L233 HydrophobicContact CG2-CD1 4.15Å; Y193-L233 WeakPolarHBondContact CD2-O 3.47Å; Y193-L233 PolarHBondContact N-O 2.98Å; L231-L233 HydrophobicContact CD2-CD2 3.81Å; L231-L233 HydrophobicContact CD2-CG 4.47Å; L231-L233 HydrophobicContact CG-CD2 4.41Å; L233-V269 HydrophobicContact CD2-CB 3.78Å; L233-V269 HydrophobicContact CD2-CG1 4.21Å; L233-V269 HydrophobicContact CD2-CG2 4.46Å; L233-V271 HydrophobicContact CD2-CG2 4.34Å; L233-L523 HydrophobicContact CD1-CD1 4.03Å; L233-L527 HydrophobicContact CD1-CD2 4.01Å; L233-L527 HydrophobicContact CD2-CD2 4.39Å
234	V	94.2	Very high	84.3	Confident	2 Å²	2	40.9 Å²	40.9	1%	0.012	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	120.9	172.4	-173.1	0	0	0	0	108.5	Y193 W200 V236 L255 L258 V269 L270 V271	Y193-V234 HydrophobicContact CD2-CG2 3.52Å; Y193-V234 HydrophobicContact CE2-CG2 3.84Å; Y193-V234 HydrophobicContact CG-CG2 4.36Å; W200-V234 HydrophobicContact CZ2-CG1 4.05Å; V234-V236 HydrophobicContact CG1-CG2 4.11Å; V234-L255 HydrophobicContact CG1-CD2 4.34Å; V234-L258 HydrophobicContact CG1-CD1 4.35Å; V234-L258 HydrophobicContact CG2-CD1 3.77Å; V234-V269 PolarHBondContact N-O 3.03Å; V234-L270 HydrophobicContact CB-CD2 3.79Å; V234-L270 HydrophobicContact CG1-CD2 4.3Å; V234-L270 HydrophobicContact CG2-CD2 4.12Å; V234-V271 PolarHBondContact O-N 3.39Å
235	L	92.3	Very high	83	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	122	171.1	-178.7	68.9	0	0	0	109.1	T195 W200 L204 V208 F212 F273	T195-L235 HydrophobicContact CG2-CB 4.33Å; T195-L235 HydrophobicContact CG2-CD2 4.41Å; W200-L235 PolarHBondContact NE1-O 3.49Å; L204-L235 HydrophobicContact CD1-CD2 3.87Å; L204-L235 HydrophobicContact CD1-CG 4.04Å; V208-L235 HydrophobicContact CG1-CD1 4.41Å; F212-L235 HydrophobicContact CB-CD2 4.07Å; F212-L235 HydrophobicContact CD1-CB 3.98Å; F212-L235 HydrophobicContact CD1-CD1 4.39Å; F212-L235 HydrophobicContact CD1-CD2 3.75Å; F212-L235 HydrophobicContact CD1-CG 4.26Å; F212-L235 HydrophobicContact CE1-CB 3.84Å; F212-L235 HydrophobicContact CE1-CD2 4.46Å; F212-L235 HydrophobicContact CG-CD1 4.23Å; F212-L235 HydrophobicContact CG-CD2 4.07Å; F212-L235 HydrophobicContact CZ-CB 4.37Å; L235-F273 HydrophobicContact CD1-CD2 3.85Å; L235-F273 HydrophobicContact CD1-CE2 4.22Å
236	V	86.5	Confident	82	Confident	3 Å²	3	35.8 Å²	35.8	2%	0.018	21%	0.208	C	C	.	.			trans	-115.9	-16.3	176.3	-146.5	0	0	0	0	112.7	L204 V234 L251 L270 V271 F282 L283	L204-V236 VanDerWaalsContact CD2-O 3.24Å; L204-V236 WeakPolarHBondContact CD2-O 3.38Å; V234-V236 HydrophobicContact CG1-CG2 4.11Å; V236-L251 HydrophobicContact CG1-CD1 4.19Å; V236-L251 HydrophobicContact CG1-CD2 4.22Å; V236-L270 HydrophobicContact CG2-CB 3.98Å; V236-L270 HydrophobicContact CG2-CD2 4.11Å; V236-L270 HydrophobicContact CG2-CG 4.48Å; V236-V271 PolarHBondContact N-O 3.2Å; V236-F282 VanDerWaalsContact C-CZ 3.43Å; V236-F282 HydrophobicContact CB-CE2 3.77Å; V236-F282 HydrophobicContact CB-CZ 3.64Å; V236-F282 HydrophobicContact CG1-CD2 4.3Å; V236-F282 HydrophobicContact CG1-CE2 3.19Å; V236-F282 HydrophobicContact CG1-CZ 3.51Å; V236-F282 WeakPolarHBondContact O-CE1 3.4Å; V236-F282 WeakPolarHBondContact O-CZ 3.38Å; V236-L283 HydrophobicContact CG1-CD2 4.47Å
237	G	78.7	Confident	81.5	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.223	C	C	.	.			trans	31.6	167.6	160.1	0	0	0	0	0	122.7	L204 V271 F282	L204-G237 WeakPolarHBondContact CD2-O 3.15Å; G237-V271 PolarHBondContact N-O 2.93Å; G237-F282 WeakPolarHBondContact O-CE1 3.37Å
238	E	80.1	Confident	81.3	Confident	15 Å²	15	37.4 Å²	37.4	7%	0.07	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-65	137.3	175	-165.2	175.7	154.1	0	0	112.5	L204 D205 F273 R275 K276	L204-E238 WeakPolarHBondContact CA-O 3.17Å; D205-E238 PolarHBondContact N-O 2.8Å; E238-F273 PolarHBondContact N-O 2.84Å; E238-R275 PolarHBondContact OE2-N 3.23Å; E238-K276 WeakPolarHBondContact OE1-CD 3.33Å; E238-K276 WeakPolarHBondContact OE1-CE 3.36Å; E238-K276 WeakPolarHBondContact OE1-CG 3.35Å; E238-K276 IonicContact OE1-NZ 3.14Å; E238-K276 PolarHBondContact OE1-NZ 2.96Å; E238-K276 PolarHBondContact OE2-N 3.3Å
239	I	79	Confident	81.1	Confident	23 Å²	23	40 Å²	40	12%	0.118	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-96.3	147.4	-177.3	-67.3	171.4	0	0	0	110.9	N203 L204 L245 P246 F282	N203-I239 HydrophobicContact CB-CG2 3.97Å; N203-I239 CarbonylContact O-C 3.57Å; N203-I239 WeakPolarHBondContact O-CA 3.41Å; N203-I239 WeakPolarHBondContact O-CG2 3.19Å; L204-I239 HydrophobicContact CD2-CG1 4.4Å; I239-L245 HydrophobicContact CD1-CD2 4.17Å; I239-P246 HydrophobicContact CD1-CG 4.37Å; I239-F282 HydrophobicContact CD1-CD1 4.38Å
240	L	75.5	Confident	80.9	Confident	68 Å²	68	43.5 Å²	43.5	36%	0.356	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-60.9	133.5	173.3	-120.4	110.5	0	0	0	111.5	N203 P206 S242 S243	N203-L240 PolarHBondContact O-N 2.82Å; P206-L240 VanDerWaalsContact CD-CD1 3.48Å; P206-L240 HydrophobicContact CG-CD1 4.19Å; L240-S242 WeakPolarHBondContact CD2-OG 3.44Å; L240-S242 PolarHBondContact O-N 2.87Å; L240-S243 WeakPolarHBondContact O-CB 3.3Å; L240-S243 PolarHBondContact O-N 2.84Å
241	E	64.6	Low	80.5	Confident	165 Å²	165	43.7 Å²	43.7	77%	0.771	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-25.7	-178.4	-75.8	173.5	-170.7	0	0	114.4	S243 K276	E241-S243 VanDerWaalsContact C-N 3.33Å; E241-K276 VanDerWaalsContact CD-NZ 3.35Å; E241-K276 IonicContact OE1-NZ 2.72Å; E241-K276 PolarHBondContact OE1-NZ 2.75Å
242	S	61.6	Low	80.2	Confident	99 Å²	99	45.9 Å²	45.9	69%	0.692	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-8.6	178.6	57.1	0	0	0	0	114.2	L240	L240-S242 WeakPolarHBondContact CD2-OG 3.44Å; L240-S242 PolarHBondContact O-N 2.87Å
243	S	67.1	Low	79.9	Confident	30 Å²	30	52.6 Å²	52.6	21%	0.21	30%	0.297	C	S	.	.	S	Bend	trans	-97.7	135.7	-176.1	-62	0	0	0	0	111.2	L240 E241 L245	L240-S243 WeakPolarHBondContact O-CB 3.3Å; L240-S243 PolarHBondContact O-N 2.84Å; E241-S243 VanDerWaalsContact C-N 3.33Å; S243-L245 PolarHBondContact O-N 3.45Å
244	P	67.1	Low	79.5	Confident	110 Å²	110	54.1 Å²	54.1	71%	0.714	30%	0.304	S	S	*	.	P	Polyproline II helix	trans	-64	132.5	175.4	26.5	-32.3	0	0	0	110
245	L	66.2	Low	79.3	Confident	85 Å²	85	54.1 Å²	54.1	45%	0.445	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-62.5	129.1	174.7	-70.9	156.6	0	0	0	109.5	I239 S243 S247	I239-L245 HydrophobicContact CD1-CD2 4.17Å; S243-L245 PolarHBondContact O-N 3.45Å; L245-S247 PolarHBondContact O-N 3.3Å
246	P	70.6	Confident	79.1	Confident	29 Å²	29	59.2 Å²	59.2	19%	0.188	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-62.3	138.8	170.9	25.5	-30.8	0	0	0	109.4	I239	I239-P246 HydrophobicContact CD1-CG 4.37Å
247	S	80.1	Confident	79.3	Confident	65 Å²	65	62.6 Å²	62.6	46%	0.455	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-62.5	147.4	173.9	71.4	0	0	0	0	110.2	L245 S249 E250 L251	L245-S247 PolarHBondContact O-N 3.3Å; S247-S249 PolarHBondContact O-N 3.22Å; S247-S249 VanDerWaalsContact O-N 3.14Å; S247-E250 WeakPolarHBondContact O-CB 3.29Å; S247-E250 PolarHBondContact O-N 2.87Å; S247-E250 WeakPolarHBondContact OG-CB 3.28Å; S247-E250 PolarHBondContact OG-N 2.95Å; S247-L251 PolarHBondContact O-N 2.61Å
248	P	83.4	Confident	79.9	Confident	56 Å²	56	62.9 Å²	62.9	36%	0.364	36%	0.356	S	S	.	.	H	α-helix	trans	-52.7	-38.5	179.7	-29.9	36	0	0	0	113.4	L251 E252 V286	P248-L251 PolarHBondContact O-N 2.98Å; P248-E252 WeakPolarHBondContact O-CB 3.3Å; P248-E252 PolarHBondContact O-N 3.22Å; P248-V286 HydrophobicContact CB-CG2 3.83Å
249	S	85.6	Confident	80.3	Confident	89 Å²	89	66.5 Å²	66.5	62%	0.622	38%	0.38	S	S	*	.	H	α-helix	trans	-68.3	-34.6	177.8	-52.7	0	0	0	0	113.2	S247 K253	S247-S249 PolarHBondContact O-N 3.22Å; S247-S249 VanDerWaalsContact O-N 3.14Å; S249-K253 WeakPolarHBondContact O-CB 3.38Å; S249-K253 PolarHBondContact O-N 3.45Å; S249-K253 VanDerWaalsContact O-N 3.09Å
250	E	86.6	Confident	80.8	Confident	73 Å²	73	69.4 Å²	69.4	34%	0.341	39%	0.391	S	S	.	.	H	α-helix	trans	-70.7	-43	176.1	-178.1	56.6	-152.1	0	0	110.7	S247 E252 K253 Q254	S247-E250 WeakPolarHBondContact O-CB 3.29Å; S247-E250 PolarHBondContact O-N 2.87Å; S247-E250 WeakPolarHBondContact OG-CB 3.28Å; S247-E250 PolarHBondContact OG-N 2.95Å; E250-E252 VanDerWaalsContact C-N 3.35Å; E250-E252 PolarHBondContact O-N 3.03Å; E250-K253 WeakPolarHBondContact O-CB 3.45Å; E250-K253 PolarHBondContact O-N 3Å; E250-Q254 WeakPolarHBondContact O-CB 3.18Å; E250-Q254 VanDerWaalsContact O-CG 3.27Å; E250-Q254 WeakPolarHBondContact O-CG 3.28Å; E250-Q254 PolarHBondContact O-N 3.45Å; E250-Q254 PolarHBondContact OE1-NE2 3.28Å
251	L	85.8	Confident	81.4	Confident	4 Å²	4	66.4 Å²	66.4	2%	0.021	38%	0.375	C	S	.	.	H	α-helix	trans	-63.2	-41.2	175.3	-176.8	59.5	0	0	0	111.6	W200 V236 S247 P248 K253 Q254 L255 F282 L283 V286	W200-L251 HydrophobicContact CD2-CD1 4.44Å; W200-L251 HydrophobicContact CG-CD1 4.42Å; V236-L251 HydrophobicContact CG1-CD1 4.19Å; V236-L251 HydrophobicContact CG1-CD2 4.22Å; S247-L251 PolarHBondContact O-N 2.61Å; P248-L251 PolarHBondContact O-N 2.98Å; L251-K253 VanDerWaalsContact C-N 3.34Å; L251-K253 PolarHBondContact O-N 3.33Å; L251-Q254 WeakPolarHBondContact O-CB 3.42Å; L251-Q254 PolarHBondContact O-N 2.84Å; L251-L255 HydrophobicContact CD1-CG 4.33Å; L251-L255 HydrophobicContact CG-CD1 4.25Å; L251-L255 HydrophobicContact CG-CG 4.43Å; L251-L255 WeakPolarHBondContact O-CG 3.3Å; L251-L255 PolarHBondContact O-N 3.31Å; L251-F282 HydrophobicContact CD2-CD2 3.57Å; L251-F282 HydrophobicContact CD2-CE2 3.86Å; L251-L283 HydrophobicContact CD2-CD2 4.03Å; L251-V286 HydrophobicContact CD2-CG2 4.28Å
252	E	88.1	Confident	81.9	Confident	45 Å²	45	62.6 Å²	62.6	21%	0.21	35%	0.353	C	S	.	.	H	α-helix	trans	-59.5	-44.1	174.7	-176.9	178.3	163.6	0	0	112	P248 E250 Q254 L255 K256 V286	P248-E252 WeakPolarHBondContact O-CB 3.3Å; P248-E252 PolarHBondContact O-N 3.22Å; E250-E252 VanDerWaalsContact C-N 3.35Å; E250-E252 PolarHBondContact O-N 3.03Å; E252-Q254 VanDerWaalsContact C-N 3.31Å; E252-Q254 PolarHBondContact O-N 2.75Å; E252-L255 PolarHBondContact O-N 3.43Å; E252-K256 HydrophobicContact CG-CD 4.34Å; E252-K256 WeakPolarHBondContact O-CG 3.33Å; E252-K256 PolarHBondContact O-N 3.42Å; E252-K256 VanDerWaalsContact OE1-CE 3.28Å; E252-K256 WeakPolarHBondContact OE1-CE 3.49Å; E252-K256 IonicContact OE1-NZ 2.62Å; E252-K256 PolarHBondContact OE1-NZ 3.16Å; E252-V286 HydrophobicContact CB-CG1 4.28Å
253	K	88.7	Confident	82.6	Confident	144 Å²	144	62.9 Å²	62.9	63%	0.626	36%	0.355	S	S	*	.	H	α-helix	trans	-62.5	-41.2	177	-175.5	-177.6	176.7	-171.2	0	111.4	S249 E250 L251 K256 A257	S249-K253 WeakPolarHBondContact O-CB 3.38Å; S249-K253 PolarHBondContact O-N 3.45Å; S249-K253 VanDerWaalsContact O-N 3.09Å; E250-K253 WeakPolarHBondContact O-CB 3.45Å; E250-K253 PolarHBondContact O-N 3Å; L251-K253 VanDerWaalsContact C-N 3.34Å; L251-K253 PolarHBondContact O-N 3.33Å; K253-K256 PolarHBondContact O-N 2.98Å; K253-A257 WeakPolarHBondContact O-CB 3.44Å; K253-A257 PolarHBondContact O-N 3.11Å; K253-A257 VanDerWaalsContact O-N 3.09Å
254	Q	88	Confident	83.3	Confident	31 Å²	31	62.6 Å²	62.6	15%	0.145	35%	0.351	C	S	.	.	H	α-helix	trans	-66.1	-43.3	177.9	-79.9	178.6	8.5	0	0	112.5	W200 E250 L251 E252 A257	W200-Q254 HydrophobicContact CE3-CB 3.82Å; W200-Q254 HydrophobicContact CE3-CG 4.27Å; W200-Q254 HydrophobicContact CZ3-CB 3.55Å; W200-Q254 HydrophobicContact CZ3-CG 4.25Å; E250-Q254 WeakPolarHBondContact O-CB 3.18Å; E250-Q254 VanDerWaalsContact O-CG 3.27Å; E250-Q254 WeakPolarHBondContact O-CG 3.28Å; E250-Q254 PolarHBondContact O-N 3.45Å; E250-Q254 PolarHBondContact OE1-NE2 3.28Å; L251-Q254 WeakPolarHBondContact O-CB 3.42Å; L251-Q254 PolarHBondContact O-N 2.84Å; E252-Q254 VanDerWaalsContact C-N 3.31Å; E252-Q254 PolarHBondContact O-N 2.75Å; Q254-A257 WeakPolarHBondContact O-CB 3.33Å; Q254-A257 PolarHBondContact O-N 3.34Å
255	L	89.1	Confident	84.2	Confident	2 Å²	2	57.3 Å²	57.3	1%	0.01	32%	0.317	C	S	.	.	H	α-helix	trans	-63.4	-42.7	174.5	-70.2	173.8	0	0	0	111.7	V234 L251 E252 A257 L258 W261 L270 V286	V234-L255 HydrophobicContact CG1-CD2 4.34Å; L251-L255 HydrophobicContact CD1-CG 4.33Å; L251-L255 HydrophobicContact CG-CD1 4.25Å; L251-L255 HydrophobicContact CG-CG 4.43Å; L251-L255 WeakPolarHBondContact O-CG 3.3Å; L251-L255 PolarHBondContact O-N 3.31Å; E252-L255 PolarHBondContact O-N 3.43Å; L255-A257 PolarHBondContact O-N 3.13Å; L255-L258 HydrophobicContact CD2-CD1 4.11Å; L255-L258 VanDerWaalsContact O-CB 3.28Å; L255-L258 WeakPolarHBondContact O-CB 3.45Å; L255-L258 WeakPolarHBondContact O-CG 3.4Å; L255-L258 PolarHBondContact O-N 3.26Å; L255-L258 VanDerWaalsContact O-N 3.14Å; L255-W261 HydrophobicContact CB-CH2 4.33Å; L255-W261 HydrophobicContact CB-CZ2 4.34Å; L255-L270 HydrophobicContact CD1-CD1 3.99Å; L255-L270 HydrophobicContact CD2-CD2 3.98Å; L255-V286 HydrophobicContact CD1-CG1 4.29Å
256	K	89	Confident	85.2	Confident	107 Å²	107	53.9 Å²	53.9	47%	0.465	30%	0.299	S	S	.	.	H	α-helix	trans	-66.9	-22	176.2	-71.7	178.1	-173.5	173.7	0	113.7	E252 K253 L258	E252-K256 HydrophobicContact CG-CD 4.34Å; E252-K256 WeakPolarHBondContact O-CG 3.33Å; E252-K256 PolarHBondContact O-N 3.42Å; E252-K256 VanDerWaalsContact OE1-CE 3.28Å; E252-K256 WeakPolarHBondContact OE1-CE 3.49Å; E252-K256 IonicContact OE1-NZ 2.62Å; E252-K256 PolarHBondContact OE1-NZ 3.16Å; K253-K256 PolarHBondContact O-N 2.98Å; K256-L258 VanDerWaalsContact C-N 3.29Å
257	A	90.1	Very high	86.2	Confident	74 Å²	74	52.7 Å²	52.7	61%	0.612	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-6.9	175.8	0	0	0	0	0	113.3	K253 Q254 L255	K253-A257 WeakPolarHBondContact O-CB 3.44Å; K253-A257 PolarHBondContact O-N 3.11Å; K253-A257 VanDerWaalsContact O-N 3.09Å; Q254-A257 WeakPolarHBondContact O-CB 3.33Å; Q254-A257 PolarHBondContact O-N 3.34Å; L255-A257 PolarHBondContact O-N 3.13Å
258	L	90.7	Very high	86.8	Confident	6 Å²	6	49.7 Å²	49.7	3%	0.031	27%	0.269	C	S	.	.	S	Bend	trans	-61.3	131.6	176.7	-71	172.4	0	0	0	110.5	Y193 Y198 W200 V234 L255 K256 Y260 W261	Y193-L258 HydrophobicContact CD1-CD2 3.89Å; Y193-L258 HydrophobicContact CE1-CB 4.08Å; Y193-L258 HydrophobicContact CE1-CD2 3.89Å; Y193-L258 HydrophobicContact CE1-CG 4.44Å; Y193-L258 HydrophobicContact CE2-CD1 4.38Å; Y193-L258 HydrophobicContact CG-CD2 4.38Å; Y198-L258 HydrophobicContact CD1-CD2 4.1Å; Y198-L258 HydrophobicContact CD2-CD2 4.36Å; Y198-L258 HydrophobicContact CE1-CD2 3.46Å; Y198-L258 VanDerWaalsContact CE1-CD2 3.46Å; Y198-L258 HydrophobicContact CE2-CD2 3.77Å; Y198-L258 WeakPolarHBondContact OH-CD2 3.15Å; W200-L258 HydrophobicContact CH2-CD2 3.83Å; W200-L258 HydrophobicContact CH2-CG 4.28Å; W200-L258 HydrophobicContact CZ2-CD2 4.34Å; V234-L258 HydrophobicContact CG1-CD1 4.35Å; V234-L258 HydrophobicContact CG2-CD1 3.77Å; L255-L258 HydrophobicContact CD2-CD1 4.11Å; L255-L258 VanDerWaalsContact O-CB 3.28Å; L255-L258 WeakPolarHBondContact O-CB 3.45Å; L255-L258 WeakPolarHBondContact O-CG 3.4Å; L255-L258 PolarHBondContact O-N 3.26Å; L255-L258 VanDerWaalsContact O-N 3.14Å; K256-L258 VanDerWaalsContact C-N 3.29Å; L258-Y260 PolarHBondContact O-N 3.17Å; L258-W261 HydrophobicContact CB-CB 4.07Å; L258-W261 HydrophobicContact CD1-CE3 3.91Å; L258-W261 HydrophobicContact CD1-CZ3 4.31Å; L258-W261 WeakPolarHBondContact O-CB 3.31Å; L258-W261 PolarHBondContact O-N 2.78Å; L258-W261 VanDerWaalsContact O-N 3.08Å
259	P	89.6	Confident	87.4	Confident	91 Å²	91	47.2 Å²	47.2	59%	0.591	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-33.8	-173.4	-29.9	32.9	0	0	0	115.4
260	Y	89.2	Confident	87.8	Confident	85 Å²	85	43 Å²	43	33%	0.333	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.8	13.4	-176.7	-42.4	-70.5	0	0	0	113.5	Y191 Y193 P226 Y232 L258 R262 H268	Y191-Y260 HydrophobicContact CD1-CD2 4.48Å; Y191-Y260 AromaticContact CE1-CD2 3.98Å; Y191-Y260 HydrophobicContact CE1-CD2 3.98Å; Y191-Y260 AromaticContact CE1-CE2 3.96Å; Y191-Y260 HydrophobicContact CE1-CE2 3.96Å; Y193-Y260 AromaticContact CE1-CD2 3.84Å; Y193-Y260 HydrophobicContact CE1-CD2 3.84Å; Y193-Y260 AromaticContact CZ-CD2 3.97Å; Y193-Y260 WeakPolarHBondContact OH-CA 3.09Å; Y193-Y260 VanDerWaalsContact OH-CB 3.23Å; Y193-Y260 WeakPolarHBondContact OH-CB 3.17Å; Y193-Y260 PolarHBondContact OH-N 2.89Å; P226-Y260 HydrophobicContact CB-CD1 4.26Å; P226-Y260 HydrophobicContact CB-CD2 3.95Å; P226-Y260 HydrophobicContact CB-CE1 3.96Å; P226-Y260 HydrophobicContact CB-CE2 3.63Å; P226-Y260 HydrophobicContact CB-CG 4.26Å; P226-Y260 HydrophobicContact CG-CE1 3.89Å; P226-Y260 HydrophobicContact CG-CE2 3.84Å; P226-Y260 VanDerWaalsContact CG-CZ 3.43Å; P226-Y260 WeakPolarHBondContact CG-OH 3.32Å; Y232-Y260 HydrophobicContact CE1-CD2 4.21Å; Y232-Y260 HydrophobicContact CE1-CG 4.03Å; L258-Y260 PolarHBondContact O-N 3.17Å; Y260-R262 WeakPolarHBondContact O-CG 3.09Å; Y260-R262 PolarHBondContact O-N 3.31Å; Y260-R262 VanDerWaalsContact O-N 3.11Å; Y260-H268 PolarHBondContact O-CE1 3.42Å
261	W	87.7	Confident	88.1	Confident	5 Å²	5	39.5 Å²	39.5	2%	0.019	21%	0.207	C	C	.	.			trans	-60.2	-22.4	-179	-167.9	-110.8	0	0	0	114.3	L255 L258 S263 G265 H268 L270 A291	L255-W261 HydrophobicContact CB-CH2 4.33Å; L255-W261 HydrophobicContact CB-CZ2 4.34Å; L258-W261 HydrophobicContact CB-CB 4.07Å; L258-W261 HydrophobicContact CD1-CE3 3.91Å; L258-W261 HydrophobicContact CD1-CZ3 4.31Å; L258-W261 WeakPolarHBondContact O-CB 3.31Å; L258-W261 PolarHBondContact O-N 2.78Å; L258-W261 VanDerWaalsContact O-N 3.08Å; W261-S263 VanDerWaalsContact C-N 3.34Å; W261-S263 PolarHBondContact O-N 3.37Å; W261-G265 VanDerWaalsContact CE2-CA 3.45Å; W261-G265 VanDerWaalsContact O-CA 3.32Å; W261-G265 WeakPolarHBondContact O-CA 3.11Å; W261-G265 PolarHBondContact O-N 3.42Å; W261-H268 HydrophobicContact CE3-CB 4.2Å; W261-H268 AromaticContact CE3-CD2 3.36Å; W261-H268 AromaticContact CE3-CG 3.67Å; W261-H268 AromaticContact CE3-NE2 3.86Å; W261-H268 HydrophobicContact CH2-CB 4.39Å; W261-H268 HydrophobicContact CZ3-CB 3.7Å; W261-H268 AromaticContact CZ3-CD2 3.6Å; W261-H268 AromaticContact CZ3-CG 3.69Å; W261-L270 HydrophobicContact CH2-CD2 4.24Å; W261-L270 HydrophobicContact CZ3-CD2 4.15Å; W261-A291 HydrophobicContact CH2-CB 3.4Å; W261-A291 VanDerWaalsContact CH2-CB 3.4Å; W261-A291 HydrophobicContact CZ2-CB 4.13Å; W261-A291 HydrophobicContact CZ3-CB 4.05Å
262	R	76.4	Confident	88.4	Confident	84 Å²	84	39.4 Å²	39.4	32%	0.317	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	49.1	177.6	-67.2	172	173.7	-135.4	-7.3	112.7	D159 R181 Y260 D264	D159-R262 IonicContact OD2-NH1 2.9Å; D159-R262 PolarHBondContact OD2-NH1 2.7Å; R181-R262 VanDerWaalsContact CD-NH1 3.3Å; R181-R262 VanDerWaalsContact CZ-CZ 3.48Å; R181-R262 VanDerWaalsContact NH1-NE 3.17Å; Y260-R262 WeakPolarHBondContact O-CG 3.09Å; Y260-R262 PolarHBondContact O-N 3.31Å; Y260-R262 VanDerWaalsContact O-N 3.11Å; R262-D264 PolarHBondContact O-N 3.03Å
263	S	76.4	Confident	88.3	Confident	105 Å²	105	37.4 Å²	37.4	73%	0.734	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	70	-38	177.1	74.6	0	0	0	0	117.5	W261	W261-S263 VanDerWaalsContact C-N 3.34Å; W261-S263 PolarHBondContact O-N 3.37Å
264	D	81.3	Confident	88.1	Confident	24 Å²	24	30.5 Å²	30.5	13%	0.128	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-140	12.4	-173.5	69.3	-14.2	0	0	0	114.7	R262 H266 R290	R262-D264 PolarHBondContact O-N 3.03Å; D264-H266 IonicContact OD1-CE1 2.92Å; D264-H266 PolarHBondContact OD1-CE1 2.89Å; D264-H266 IonicContact OD1-CG 3.64Å; D264-H266 IonicContact OD1-ND1 2.65Å; D264-H266 PolarHBondContact OD1-ND1 3.06Å; D264-H266 IonicContact OD2-CE1 2.67Å; D264-H266 PolarHBondContact OD2-CE1 2.03Å; D264-H266 IonicContact OD2-ND1 3.83Å; D264-R290 PolarHBondContact O-N 3.23Å; D264-R290 WeakPolarHBondContact OD2-CD 3.36Å; D264-R290 IonicContact OD2-CZ 3.42Å; D264-R290 IonicContact OD2-NE 3.91Å; D264-R290 PolarHBondContact OD2-NE 3.47Å
265	G	86.1	Confident	88	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.3	29.2	170.9	0	0	0	0	0	115.5	W261 N267 H268 R290 A291	W261-G265 VanDerWaalsContact CE2-CA 3.45Å; W261-G265 VanDerWaalsContact O-CA 3.32Å; W261-G265 WeakPolarHBondContact O-CA 3.11Å; W261-G265 PolarHBondContact O-N 3.42Å; G265-N267 PolarHBondContact O-N 3.47Å; G265-H268 WeakPolarHBondContact O-CB 3.27Å; G265-H268 PolarHBondContact O-N 3.26Å; G265-H268 VanDerWaalsContact O-N 3.08Å; G265-R290 CarbonylContact O-C 3.56Å; G265-A291 WeakPolarHBondContact O-CA 3.33Å; G265-A291 PolarHBondContact O-N 3.5Å
266	H	86.1	Confident	87.7	Confident	12 Å²	12	36.9 Å²	36.9	6%	0.056	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.9	126.9	176.5	-78.7	87.4	0	0	0	112.4	D264 H268 R290	D264-H266 IonicContact OD1-CE1 2.92Å; D264-H266 PolarHBondContact OD1-CE1 2.89Å; D264-H266 IonicContact OD1-CG 3.64Å; D264-H266 IonicContact OD1-ND1 2.65Å; D264-H266 PolarHBondContact OD1-ND1 3.06Å; D264-H266 IonicContact OD2-CE1 2.67Å; D264-H266 PolarHBondContact OD2-CE1 2.03Å; D264-H266 IonicContact OD2-ND1 3.83Å; H266-H268 PolarHBondContact O-CE1 2.92Å; H266-H268 PolarHBondContact O-N 2.98Å; H266-H268 PolarHBondContact O-ND1 3.44Å; H266-R290 PolarHBondContact CE1-NE 2.82Å; H266-R290 WeakPolarHBondContact NE2-CD 3.36Å; H266-R290 PolarHBondContact NE2-NE 2.95Å; H266-R290 PolarHBondContact NE2-NH1 3.33Å; H266-R290 VanDerWaalsContact NE2-NH1 3.2Å
267	N	91.3	Very high	87.2	Confident	5 Å²	5	32.2 Å²	32.2	3%	0.027	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	23.2	179.9	-60.8	16.2	0	0	0	114.3	F177 D178 C230 L231 Y232 G265	F177-N267 HydrophobicContact CE2-CB 4.37Å; D178-N267 WeakPolarHBondContact CB-OD1 3.47Å; D178-N267 PolarHBondContact N-OD1 2.83Å; D178-N267 PolarHBondContact O-ND2 3.44Å; C230-N267 VanDerWaalsContact O-CB 3.26Å; C230-N267 WeakPolarHBondContact O-CB 3.48Å; C230-N267 PolarHBondContact O-ND2 3.4Å; L231-N267 WeakPolarHBondContact CD1-O 3.38Å; Y232-N267 PolarHBondContact N-O 3.28Å; G265-N267 PolarHBondContact O-N 3.47Å
268	H	94	Very high	86.7	Confident	1 Å²	1	32.1 Å²	32.1	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	144.9	171.9	-72	60	0	0	0	110.3	Y193 Y232 Y260 W261 G265 H266 A291 A292	Y193-H268 AromaticContact CE2-CD2 3.77Å; Y193-H268 AromaticContact CE2-NE2 3.53Å; Y193-H268 AromaticContact CZ-NE2 3.73Å; Y193-H268 PolarHBondContact OH-NE2 3.16Å; Y232-H268 AromaticContact CD2-CE1 3.71Å; Y232-H268 AromaticContact CG-CE1 3.65Å; Y232-H268 AromaticContact CG-NE2 3.73Å; Y232-H268 CarbonylContact O-C 3.16Å; Y232-H268 VanDerWaalsContact O-CA 3.31Å; Y232-H268 WeakPolarHBondContact O-CA 3.33Å; Y260-H268 PolarHBondContact O-CE1 3.42Å; W261-H268 HydrophobicContact CE3-CB 4.2Å; W261-H268 AromaticContact CE3-CD2 3.36Å; W261-H268 AromaticContact CE3-CG 3.67Å; W261-H268 AromaticContact CE3-NE2 3.86Å; W261-H268 HydrophobicContact CH2-CB 4.39Å; W261-H268 HydrophobicContact CZ3-CB 3.7Å; W261-H268 AromaticContact CZ3-CD2 3.6Å; W261-H268 AromaticContact CZ3-CG 3.69Å; G265-H268 WeakPolarHBondContact O-CB 3.27Å; G265-H268 PolarHBondContact O-N 3.26Å; G265-H268 VanDerWaalsContact O-N 3.08Å; H266-H268 PolarHBondContact O-CE1 2.92Å; H266-H268 PolarHBondContact O-N 2.98Å; H266-H268 PolarHBondContact O-ND1 3.44Å; H268-A291 HydrophobicContact CB-CB 3.76Å; H268-A291 CarbonylContact O-C 3.48Å; H268-A291 VanDerWaalsContact O-CA 3.22Å; H268-A291 WeakPolarHBondContact O-CA 3.29Å; H268-A292 PolarHBondContact O-N 2.86Å
269	V	95.6	Very high	85.7	Confident	4 Å²	4	32 Å²	32	2%	0.024	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	123.5	169.9	176.5	0	0	0	0	108.2	L231 Y232 L233 V234 V271 A292 A294 I530	L231-V269 HydrophobicContact CD1-CG2 3.63Å; L231-V269 HydrophobicContact CD2-CG2 4.19Å; L231-V269 HydrophobicContact CG-CG2 4.23Å; Y232-V269 PolarHBondContact O-N 2.92Å; L233-V269 HydrophobicContact CD2-CB 3.78Å; L233-V269 HydrophobicContact CD2-CG1 4.21Å; L233-V269 HydrophobicContact CD2-CG2 4.46Å; V234-V269 PolarHBondContact N-O 3.03Å; V269-V271 HydrophobicContact CG1-CG2 4.05Å; V269-A292 CarbonylContact C-O 3.46Å; V269-A292 VanDerWaalsContact CA-O 3.31Å; V269-A292 WeakPolarHBondContact CA-O 3.41Å; V269-A292 HydrophobicContact CG2-CB 4.04Å; V269-A294 HydrophobicContact CG1-CB 4.14Å; V269-I530 HydrophobicContact CB-CD1 4.39Å; V269-I530 HydrophobicContact CG1-CD1 4.3Å; V269-I530 HydrophobicContact CG2-CD1 3.44Å; V269-I530 VanDerWaalsContact CG2-CD1 3.44Å
270	L	94.6	Very high	84.7	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	118	173.9	-54.2	-175.7	0	0	0	108.2	V234 V236 L255 W261 L283 T288 A291 A292 A294	V234-L270 HydrophobicContact CB-CD2 3.79Å; V234-L270 HydrophobicContact CG1-CD2 4.3Å; V234-L270 HydrophobicContact CG2-CD2 4.12Å; V236-L270 HydrophobicContact CG2-CB 3.98Å; V236-L270 HydrophobicContact CG2-CD2 4.11Å; V236-L270 HydrophobicContact CG2-CG 4.48Å; L255-L270 HydrophobicContact CD1-CD1 3.99Å; L255-L270 HydrophobicContact CD2-CD2 3.98Å; W261-L270 HydrophobicContact CH2-CD2 4.24Å; W261-L270 HydrophobicContact CZ3-CD2 4.15Å; L270-L283 HydrophobicContact CB-CD1 4.42Å; L270-L283 HydrophobicContact CD1-CD2 4.12Å; L270-T288 HydrophobicContact CD1-CG2 3.63Å; L270-A291 HydrophobicContact CG-CB 4.22Å; L270-A292 PolarHBondContact N-O 3.17Å; L270-A294 PolarHBondContact O-N 3.24Å
271	V	93.4	Very high	84.1	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	120.3	-178.4	-176.2	0	0	0	0	109.5	L233 V234 V236 G237 V269 F273 A294 I526	L233-V271 HydrophobicContact CD2-CG2 4.34Å; V234-V271 PolarHBondContact O-N 3.39Å; V236-V271 PolarHBondContact N-O 3.2Å; G237-V271 PolarHBondContact N-O 2.93Å; V269-V271 HydrophobicContact CG1-CG2 4.05Å; V271-F273 HydrophobicContact CG1-CD1 4.06Å; V271-F273 HydrophobicContact CG1-CD2 4.01Å; V271-F273 HydrophobicContact CG1-CE1 3.59Å; V271-F273 HydrophobicContact CG1-CE2 3.54Å; V271-F273 HydrophobicContact CG1-CG 4.25Å; V271-F273 HydrophobicContact CG1-CZ 3.33Å; V271-A294 HydrophobicContact CG2-CB 4.48Å; V271-I526 HydrophobicContact CG1-CD1 4.06Å
272	H	90.4	Very high	83.6	Confident	3 Å²	3	31.2 Å²	31.2	1%	0.014	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	101.3	175.3	178.9	-57.1	0	0	0	109.6	S274 F282 A294 Q295	H272-S274 PolarHBondContact CE1-OG 3.46Å; H272-S274 PolarHBondContact ND1-OG 2.94Å; H272-F282 AromaticContact CD2-CD1 3.84Å; H272-F282 AromaticContact CD2-CE1 3Å; H272-F282 WeakPolarHBondContact CD2-CE1 3.39Å; H272-F282 AromaticContact CD2-CZ 3.28Å; H272-F282 WeakPolarHBondContact CD2-CZ 3.5Å; H272-F282 AromaticContact NE2-CD1 3.74Å; H272-F282 AromaticContact NE2-CE1 3.2Å; H272-F282 WeakPolarHBondContact NE2-CE1 3.47Å; H272-F282 AromaticContact NE2-CZ 3.99Å; H272-A294 PolarHBondContact N-O 3.16Å; H272-Q295 HydrophobicContact CB-CB 3.71Å
273	F	87.1	Confident	84	Confident	2 Å²	2	27.3 Å²	27.3	1%	0.009	14%	0.138	C	C	.	.			trans	-87.4	126	171.6	-65.4	-49	0	0	0	111.7	V208 F212 L235 E238 V271 L314 V522 I526	V208-F273 HydrophobicContact CG1-CB 3.84Å; V208-F273 HydrophobicContact CG1-CD2 4.12Å; F212-F273 HydrophobicContact CB-CE2 4.39Å; F212-F273 AromaticContact CD2-CE2 3.64Å; F212-F273 HydrophobicContact CD2-CE2 3.64Å; F212-F273 HydrophobicContact CD2-CZ 4.41Å; F212-F273 HydrophobicContact CE2-CE2 4.3Å; F212-F273 HydrophobicContact CG-CE2 4.35Å; L235-F273 HydrophobicContact CD1-CD2 3.85Å; L235-F273 HydrophobicContact CD1-CE2 4.22Å; E238-F273 PolarHBondContact N-O 2.84Å; V271-F273 HydrophobicContact CG1-CD1 4.06Å; V271-F273 HydrophobicContact CG1-CD2 4.01Å; V271-F273 HydrophobicContact CG1-CE1 3.59Å; V271-F273 HydrophobicContact CG1-CE2 3.54Å; V271-F273 HydrophobicContact CG1-CG 4.25Å; V271-F273 HydrophobicContact CG1-CZ 3.33Å; F273-L314 HydrophobicContact CB-CD1 3.48Å; F273-L314 VanDerWaalsContact CB-CD1 3.48Å; F273-L314 HydrophobicContact CB-CG 3.82Å; F273-L314 HydrophobicContact CD1-CD1 4.07Å; F273-L314 HydrophobicContact CD1-CD2 4.23Å; F273-L314 HydrophobicContact CD1-CG 3.96Å; F273-L314 HydrophobicContact CD2-CD1 3.81Å; F273-L314 HydrophobicContact CG-CD1 3.52Å; F273-L314 HydrophobicContact CG-CG 3.88Å; F273-V522 HydrophobicContact CD1-CG1 4.32Å; F273-V522 HydrophobicContact CE1-CG1 3.59Å; F273-V522 HydrophobicContact CZ-CG1 4.37Å; F273-I526 HydrophobicContact CE1-CD1 3.78Å; F273-I526 HydrophobicContact CZ-CD1 4.03Å
274	S	85	Confident	84.4	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.117	C	C	.	.			trans	-98.5	134.5	176.5	-63.7	0	0	0	0	110.4	H272 T279 P313 L314	H272-S274 PolarHBondContact CE1-OG 3.46Å; H272-S274 PolarHBondContact ND1-OG 2.94Å; S274-T279 WeakPolarHBondContact OG-CG2 3.16Å; S274-P313 CarbonylContact O-C 3.49Å; S274-P313 VanDerWaalsContact O-CA 3.25Å; S274-P313 WeakPolarHBondContact O-CA 3.35Å; S274-P313 WeakPolarHBondContact O-CB 3.22Å; S274-L314 PolarHBondContact O-N 2.75Å
275	R	85.6	Confident	84.6	Confident	95 Å²	95	30.5 Å²	30.5	36%	0.358	14%	0.142	S	C	.	.			trans	-109.3	-27.8	169.2	-75.9	-165.7	64.5	-155.7	-1.6	113.1	D205 V208 E238 L314	D205-R275 IonicContact OD1-NH1 2.68Å; V208-R275 HydrophobicContact CG2-CG 3.86Å; E238-R275 PolarHBondContact OE2-N 3.23Å; R275-L314 HydrophobicContact CG-CB 4.26Å
276	K	81.4	Confident	84.6	Confident	71 Å²	71	31.1 Å²	31.1	31%	0.309	15%	0.146	S	C	.	.	S	Bend	trans	-96.8	158.7	-178.8	-62.7	-179.6	-159.9	161.9	0	112.2	E238 E241 T279	E238-K276 WeakPolarHBondContact OE1-CD 3.33Å; E238-K276 WeakPolarHBondContact OE1-CE 3.36Å; E238-K276 WeakPolarHBondContact OE1-CG 3.35Å; E238-K276 IonicContact OE1-NZ 3.14Å; E238-K276 PolarHBondContact OE1-NZ 2.96Å; E238-K276 PolarHBondContact OE2-N 3.3Å; E241-K276 VanDerWaalsContact CD-NZ 3.35Å; E241-K276 IonicContact OE1-NZ 2.72Å; E241-K276 PolarHBondContact OE1-NZ 2.75Å; K276-T279 VanDerWaalsContact O-CG2 3.3Å; K276-T279 WeakPolarHBondContact O-CG2 3.4Å
277	S	78.8	Confident	84.6	Confident	10 Å²	10	33 Å²	33	7%	0.07	16%	0.16	C	C	.	.	S	Bend	trans	-64	-44.9	173.6	48.3	0	0	0	0	111.9	P402 G442 M445	S277-P402 PolarHBondContact OG-O 3.16Å; S277-G442 PolarHBondContact O-N 2.94Å; S277-M445 PolarHBondContact N-SD 3.47Å
278	M	80.7	Confident	84.3	Confident	72 Å²	72	33.4 Å²	33.4	36%	0.355	16%	0.163	S	C	.	.	S	Bend	trans	-93.9	102.9	172.6	-173.6	-178.9	77.1	0	0	109.9	P402 L404	M278-P402 HydrophobicContact CB-CB 3.98Å; M278-P402 WeakPolarHBondContact CB-O 3.37Å; M278-P402 HydrophobicContact CE-CB 3.8Å; M278-P402 PolarHBondContact N-O 2.95Å; M278-P402 HydrophobicContact SD-CB 3.81Å; M278-L404 HydrophobicContact CG-CD2 4.41Å
279	T	69.6	Low	84	Confident	3 Å²	3	34.3 Å²	34.3	2%	0.018	17%	0.172	C	C	.	.			trans	-105.5	125.2	170.7	60.2	0	0	0	0	110.4	S274 K276 N281 T297 A441	S274-T279 WeakPolarHBondContact OG-CG2 3.16Å; K276-T279 VanDerWaalsContact O-CG2 3.3Å; K276-T279 WeakPolarHBondContact O-CG2 3.4Å; T279-N281 PolarHBondContact O-N 2.9Å; T279-T297 PolarHBondContact OG1-OG1 2.65Å; T279-A441 HydrophobicContact CG2-CB 4.05Å
280	Q	67.9	Low	83.6	Confident	114 Å²	114	34.2 Å²	34.2	53%	0.533	17%	0.171	S	C	.	.			trans	-71.2	112.1	169.8	-68.1	170.3	-12.6	0	0	108.4	F282	Q280-F282 VanDerWaalsContact C-N 3.26Å; Q280-F282 PolarHBondContact O-N 2.89Å
281	N	76.8	Confident	83.5	Confident	27 Å²	27	34.2 Å²	34.2	14%	0.144	17%	0.171	C	C	.	.			trans	-70.9	83.7	174.6	178.5	2.4	0	0	0	109.4	T279 L283 Y284 Q295 Q302	T279-N281 PolarHBondContact O-N 2.9Å; N281-L283 PolarHBondContact O-N 3.4Å; N281-L283 PolarHBondContact OD1-N 3.45Å; N281-Y284 WeakPolarHBondContact O-CB 3.4Å; N281-Y284 PolarHBondContact O-N 3.17Å; N281-Y284 VanDerWaalsContact O-N 3.08Å; N281-Y284 PolarHBondContact OD1-N 3.48Å; N281-Y284 VanDerWaalsContact OD1-N 3.16Å; N281-Q295 PolarHBondContact OD1-OE1 2.86Å; N281-Q302 PolarHBondContact ND2-OE1 3.32Å
282	F	77.7	Confident	83.5	Confident	24 Å²	24	34.7 Å²	34.7	11%	0.105	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-12.7	-179.1	65.3	-101.4	0	0	0	112.7	V236 G237 I239 L251 H272 Q280 Y284 V286	V236-F282 VanDerWaalsContact C-CZ 3.43Å; V236-F282 HydrophobicContact CB-CE2 3.77Å; V236-F282 HydrophobicContact CB-CZ 3.64Å; V236-F282 HydrophobicContact CG1-CD2 4.3Å; V236-F282 HydrophobicContact CG1-CE2 3.19Å; V236-F282 HydrophobicContact CG1-CZ 3.51Å; V236-F282 WeakPolarHBondContact O-CE1 3.4Å; V236-F282 WeakPolarHBondContact O-CZ 3.38Å; G237-F282 WeakPolarHBondContact O-CE1 3.37Å; I239-F282 HydrophobicContact CD1-CD1 4.38Å; L251-F282 HydrophobicContact CD2-CD2 3.57Å; L251-F282 HydrophobicContact CD2-CE2 3.86Å; H272-F282 AromaticContact CD2-CD1 3.84Å; H272-F282 AromaticContact CD2-CE1 3Å; H272-F282 WeakPolarHBondContact CD2-CE1 3.39Å; H272-F282 AromaticContact CD2-CZ 3.28Å; H272-F282 WeakPolarHBondContact CD2-CZ 3.5Å; H272-F282 AromaticContact NE2-CD1 3.74Å; H272-F282 AromaticContact NE2-CE1 3.2Å; H272-F282 WeakPolarHBondContact NE2-CE1 3.47Å; H272-F282 AromaticContact NE2-CZ 3.99Å; Q280-F282 VanDerWaalsContact C-N 3.26Å; Q280-F282 PolarHBondContact O-N 2.89Å; F282-Y284 PolarHBondContact O-N 3.19Å; F282-V286 WeakPolarHBondContact O-CG2 3.49Å
283	L	84.3	Confident	83.7	Confident	1 Å²	1	34.7 Å²	34.7	1%	0.005	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-6.3	170.2	-67.7	177.6	0	0	0	112	V236 L251 L270 N281 N285 V286 V293 Q302	V236-L283 HydrophobicContact CG1-CD2 4.47Å; L251-L283 HydrophobicContact CD2-CD2 4.03Å; L270-L283 HydrophobicContact CB-CD1 4.42Å; L270-L283 HydrophobicContact CD1-CD2 4.12Å; N281-L283 PolarHBondContact O-N 3.4Å; N281-L283 PolarHBondContact OD1-N 3.45Å; L283-N285 PolarHBondContact O-N 2.98Å; L283-V286 WeakPolarHBondContact O-CB 3.28Å; L283-V286 PolarHBondContact O-N 3.26Å; L283-V286 VanDerWaalsContact O-N 3.16Å; L283-V293 HydrophobicContact CD1-CG1 3.62Å; L283-V293 HydrophobicContact CD1-CG2 4.48Å; L283-Q302 PolarHBondContact O-NE2 2.87Å
284	Y	84.3	Confident	84.1	Confident	75 Å²	75	34.6 Å²	34.6	29%	0.294	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	132.1	175.3	-169.6	-114.4	0	0	0	110.7	N281 F282 V286 L299	N281-Y284 WeakPolarHBondContact O-CB 3.4Å; N281-Y284 PolarHBondContact O-N 3.17Å; N281-Y284 VanDerWaalsContact O-N 3.08Å; N281-Y284 PolarHBondContact OD1-N 3.48Å; N281-Y284 VanDerWaalsContact OD1-N 3.16Å; F282-Y284 PolarHBondContact O-N 3.19Å; Y284-V286 PolarHBondContact O-N 2.99Å; Y284-L299 HydrophobicContact CD2-CD1 3.49Å; Y284-L299 VanDerWaalsContact CD2-CD1 3.49Å; Y284-L299 HydrophobicContact CE1-CD1 4.5Å; Y284-L299 HydrophobicContact CE2-CB 4.22Å; Y284-L299 HydrophobicContact CE2-CD1 3.25Å; Y284-L299 HydrophobicContact CE2-CG 4.34Å; Y284-L299 HydrophobicContact CG-CD1 4.23Å
285	N	85.3	Confident	84.4	Confident	121 Å²	121	34.7 Å²	34.7	65%	0.647	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.7	14.4	-173.6	-65.9	-23.1	0	0	0	116.1	L283	L283-N285 PolarHBondContact O-N 2.98Å
286	V	86.3	Confident	84.7	Confident	14 Å²	14	30.3 Å²	30.3	9%	0.085	16%	0.159	C	C	.	.			trans	-87.7	129.2	170.9	-179.9	0	0	0	0	109.5	P248 L251 E252 L255 F282 L283 Y284 T288	P248-V286 HydrophobicContact CB-CG2 3.83Å; L251-V286 HydrophobicContact CD2-CG2 4.28Å; E252-V286 HydrophobicContact CB-CG1 4.28Å; L255-V286 HydrophobicContact CD1-CG1 4.29Å; F282-V286 WeakPolarHBondContact O-CG2 3.49Å; L283-V286 WeakPolarHBondContact O-CB 3.28Å; L283-V286 PolarHBondContact O-N 3.26Å; L283-V286 VanDerWaalsContact O-N 3.16Å; Y284-V286 PolarHBondContact O-N 2.99Å; V286-T288 PolarHBondContact O-N 3.48Å; V286-T288 VanDerWaalsContact O-N 3.11Å
287	S	86.1	Confident	85.1	Confident	52 Å²	52	27.2 Å²	27.2	36%	0.364	15%	0.146	S	C	.	.			trans	-76.4	99.1	173.9	-172.5	0	0	0	0	110.6	G289	S287-G289 VanDerWaalsContact C-N 3.31Å
288	T	86.7	Confident	85.7	Confident	13 Å²	13	26.7 Å²	26.7	8%	0.08	14%	0.143	C	C	.	.			trans	-83.7	-4.7	179	58.8	0	0	0	0	113.6	L270 V286 R290 A291 V293	L270-T288 HydrophobicContact CD1-CG2 3.63Å; V286-T288 PolarHBondContact O-N 3.48Å; V286-T288 VanDerWaalsContact O-N 3.11Å; T288-R290 PolarHBondContact O-N 3.47Å; T288-A291 VanDerWaalsContact O-CB 3.31Å; T288-A291 WeakPolarHBondContact O-CB 3.45Å; T288-A291 PolarHBondContact O-N 2.83Å; T288-V293 HydrophobicContact CG2-CG2 4.05Å
289	G	85.9	Confident	86.1	Confident	19 Å²	19	25 Å²	25	20%	0.196	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	-120.2	-176.9	0	0	0	0	0	112	S287 R304	S287-G289 VanDerWaalsContact C-N 3.31Å; G289-R304 PolarHBondContact O-NH1 2.98Å
290	R	88.6	Confident	86.9	Confident	3 Å²	3	30.8 Å²	30.8	1%	0.011	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-0.1	176.4	-62.8	-179.3	-175.1	-125.9	-3.3	113.7	L162 P163 P165 S175 C176 D264 G265 H266 T288 A292 F307	L162-R290 PolarHBondContact O-NH2 3.06Å; P163-R290 PolarHBondContact O-NH2 3.4Å; P165-R290 HydrophobicContact CG-CG 4.48Å; S175-R290 PolarHBondContact O-NH1 3.47Å; S175-R290 VanDerWaalsContact O-NH1 3.13Å; C176-R290 HydrophobicContact CB-CB 4.2Å; C176-R290 HydrophobicContact CB-CG 4.11Å; D264-R290 PolarHBondContact O-N 3.23Å; D264-R290 WeakPolarHBondContact OD2-CD 3.36Å; D264-R290 IonicContact OD2-CZ 3.42Å; D264-R290 IonicContact OD2-NE 3.91Å; D264-R290 PolarHBondContact OD2-NE 3.47Å; G265-R290 CarbonylContact O-C 3.56Å; H266-R290 PolarHBondContact CE1-NE 2.82Å; H266-R290 WeakPolarHBondContact NE2-CD 3.36Å; H266-R290 PolarHBondContact NE2-NE 2.95Å; H266-R290 PolarHBondContact NE2-NH1 3.33Å; H266-R290 VanDerWaalsContact NE2-NH1 3.2Å; T288-R290 PolarHBondContact O-N 3.47Å; R290-A292 PolarHBondContact O-N 2.82Å; R290-F307 WeakPolarHBondContact O-CZ 3.24Å
291	A	91.7	Very high	87.8	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.157	C	C	.	.			trans	-70.8	129.9	176.2	0	0	0	0	0	109.8	W261 G265 H268 L270 T288 R304	W261-A291 HydrophobicContact CH2-CB 3.4Å; W261-A291 VanDerWaalsContact CH2-CB 3.4Å; W261-A291 HydrophobicContact CZ2-CB 4.13Å; W261-A291 HydrophobicContact CZ3-CB 4.05Å; G265-A291 WeakPolarHBondContact O-CA 3.33Å; G265-A291 PolarHBondContact O-N 3.5Å; H268-A291 HydrophobicContact CB-CB 3.76Å; H268-A291 CarbonylContact O-C 3.48Å; H268-A291 VanDerWaalsContact O-CA 3.22Å; H268-A291 WeakPolarHBondContact O-CA 3.29Å; L270-A291 HydrophobicContact CG-CB 4.22Å; T288-A291 VanDerWaalsContact O-CB 3.31Å; T288-A291 WeakPolarHBondContact O-CB 3.45Å; T288-A291 PolarHBondContact O-N 2.83Å; A291-R304 PolarHBondContact O-NH1 2.95Å; A291-R304 PolarHBondContact O-NH2 3.46Å
292	A	93.7	Very high	88.4	Confident	10 Å²	10	30 Å²	30	8%	0.083	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	151.7	171.8	0	0	0	0	0	110.2	H268 V269 L270 R290 F307	H268-A292 PolarHBondContact O-N 2.86Å; V269-A292 CarbonylContact C-O 3.46Å; V269-A292 VanDerWaalsContact CA-O 3.31Å; V269-A292 WeakPolarHBondContact CA-O 3.41Å; V269-A292 HydrophobicContact CG2-CB 4.04Å; L270-A292 PolarHBondContact N-O 3.17Å; R290-A292 PolarHBondContact O-N 2.82Å; A292-F307 HydrophobicContact CB-CD1 4.14Å; A292-F307 HydrophobicContact CB-CE1 3.76Å; A292-F307 HydrophobicContact CB-CZ 4.04Å
293	V	93.9	Very high	89	Confident	2 Å²	2	30.3 Å²	30.3	1%	0.012	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	129.4	178.8	-178.9	0	0	0	0	109.4	L283 T288 Q295 F298 D308 L309	L283-V293 HydrophobicContact CD1-CG1 3.62Å; L283-V293 HydrophobicContact CD1-CG2 4.48Å; T288-V293 HydrophobicContact CG2-CG2 4.05Å; V293-Q295 HydrophobicContact CG1-CB 4.25Å; V293-Q295 HydrophobicContact CG1-CG 3.88Å; V293-F298 HydrophobicContact CB-CE1 4.45Å; V293-F298 HydrophobicContact CB-CZ 4.43Å; V293-F298 HydrophobicContact CG1-CE1 4.29Å; V293-F298 HydrophobicContact CG1-CZ 4.21Å; V293-D308 PolarHBondContact N-OD1 3.45Å; V293-D308 WeakPolarHBondContact O-CA 3.32Å; V293-D308 WeakPolarHBondContact O-CB 3.47Å; V293-L309 PolarHBondContact O-N 2.92Å
294	A	95.1	Very high	89.3	Confident	0 Å²	0	31 Å²	31	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	104.5	173.9	0	0	0	0	0	109.1	V269 L270 V271 H272 L309 V311 I526	V269-A294 HydrophobicContact CG1-CB 4.14Å; L270-A294 PolarHBondContact O-N 3.24Å; V271-A294 HydrophobicContact CG2-CB 4.48Å; H272-A294 PolarHBondContact N-O 3.16Å; A294-L309 VanDerWaalsContact CA-O 3.31Å; A294-L309 WeakPolarHBondContact CA-O 3.48Å; A294-L309 HydrophobicContact CB-CB 4.11Å; A294-V311 HydrophobicContact CB-CG1 3.89Å; A294-I526 HydrophobicContact CB-CD1 4.37Å; A294-I526 HydrophobicContact CB-CG2 4.45Å
295	Q	93.1	Very high	89.5	Confident	2 Å²	2	32.1 Å²	32.1	1%	0.009	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	161.7	-175.7	67.2	-176.1	3.1	0	0	112.8	H272 N281 V293 T297 F298 L309 V310 V311	H272-Q295 HydrophobicContact CB-CB 3.71Å; N281-Q295 PolarHBondContact OD1-OE1 2.86Å; V293-Q295 HydrophobicContact CG1-CB 4.25Å; V293-Q295 HydrophobicContact CG1-CG 3.88Å; Q295-T297 WeakPolarHBondContact CG-O 3.36Å; Q295-T297 PolarHBondContact NE2-O 3.08Å; Q295-F298 HydrophobicContact CB-CE2 4.35Å; Q295-F298 HydrophobicContact CB-CZ 4.5Å; Q295-F298 HydrophobicContact CG-CD1 4.1Å; Q295-F298 HydrophobicContact CG-CD2 3.69Å; Q295-F298 HydrophobicContact CG-CE1 3.72Å; Q295-F298 HydrophobicContact CG-CE2 3.29Å; Q295-F298 HydrophobicContact CG-CG 4.09Å; Q295-F298 HydrophobicContact CG-CZ 3.33Å; Q295-F298 VanDerWaalsContact O-CE2 3.28Å; Q295-F298 WeakPolarHBondContact O-CE2 2.98Å; Q295-L309 PolarHBondContact N-O 3.42Å; Q295-L309 VanDerWaalsContact N-O 3.1Å; Q295-V310 WeakPolarHBondContact O-CA 3.35Å; Q295-V311 PolarHBondContact O-N 3.34Å
296	S	90.7	Very high	89.5	Confident	3 Å²	3	27.8 Å²	27.8	2%	0.021	15%	0.152	C	C	.	.	S	Bend	trans	-88.5	-16.6	-178.3	-55.7	0	0	0	0	114.4	V311 S312 S440 A441	S296-V311 VanDerWaalsContact CA-O 3.26Å; S296-V311 WeakPolarHBondContact CA-O 3.32Å; S296-V311 WeakPolarHBondContact CB-O 3.37Å; S296-V311 PolarHBondContact OG-O 3.25Å; S296-S312 PolarHBondContact OG-O 3.38Å; S296-S440 CarbonylContact O-C 3.47Å; S296-A441 PolarHBondContact O-N 2.89Å
297	T	90.6	Very high	89.8	Confident	6 Å²	6	27.9 Å²	27.9	4%	0.037	15%	0.151	C	C	.	.			trans	-124.2	122.2	-178.5	-59.1	0	0	0	0	109.5	T279 Q295 L404 L437 A439 A441	T279-T297 PolarHBondContact OG1-OG1 2.65Å; Q295-T297 WeakPolarHBondContact CG-O 3.36Å; Q295-T297 PolarHBondContact NE2-O 3.08Å; T297-L404 HydrophobicContact CG2-CD1 3.83Å; T297-L437 HydrophobicContact CG2-CD1 4.18Å; T297-A439 CarbonylContact C-O 3.54Å; T297-A439 VanDerWaalsContact CA-O 3.26Å; T297-A439 WeakPolarHBondContact CA-O 3.39Å; T297-A441 PolarHBondContact OG1-N 3.44Å; T297-A441 VanDerWaalsContact OG1-N 3.13Å
298	F	91	Very high	90.1	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	136.7	-178.8	-85.8	-78.3	0	0	0	111.9	V293 Q295 Y303 D308 L309 V310 V438 A439	V293-F298 HydrophobicContact CB-CE1 4.45Å; V293-F298 HydrophobicContact CB-CZ 4.43Å; V293-F298 HydrophobicContact CG1-CE1 4.29Å; V293-F298 HydrophobicContact CG1-CZ 4.21Å; Q295-F298 HydrophobicContact CB-CE2 4.35Å; Q295-F298 HydrophobicContact CB-CZ 4.5Å; Q295-F298 HydrophobicContact CG-CD1 4.1Å; Q295-F298 HydrophobicContact CG-CD2 3.69Å; Q295-F298 HydrophobicContact CG-CE1 3.72Å; Q295-F298 HydrophobicContact CG-CE2 3.29Å; Q295-F298 HydrophobicContact CG-CG 4.09Å; Q295-F298 HydrophobicContact CG-CZ 3.33Å; Q295-F298 VanDerWaalsContact O-CE2 3.28Å; Q295-F298 WeakPolarHBondContact O-CE2 2.98Å; F298-Y303 HydrophobicContact CB-CD2 4.43Å; F298-Y303 AromaticContact CD1-CD2 3.7Å; F298-Y303 HydrophobicContact CD1-CD2 3.7Å; F298-Y303 HydrophobicContact CD1-CG 4.19Å; F298-Y303 HydrophobicContact CD2-CD2 4.1Å; F298-Y303 AromaticContact CE1-CD2 3.82Å; F298-Y303 HydrophobicContact CE1-CD2 3.82Å; F298-Y303 HydrophobicContact CE2-CD2 4.18Å; F298-Y303 AromaticContact CG-CD2 3.83Å; F298-Y303 HydrophobicContact CG-CD2 3.83Å; F298-Y303 HydrophobicContact CG-CG 4.33Å; F298-Y303 HydrophobicContact CZ-CD2 4.03Å; F298-D308 HydrophobicContact CE1-CB 4.02Å; F298-D308 HydrophobicContact CZ-CB 3.86Å; F298-L309 WeakPolarHBondContact CE2-O 3.45Å; F298-V310 HydrophobicContact CD2-CG2 3.89Å; F298-V310 HydrophobicContact CE2-CG2 4.09Å; F298-V438 HydrophobicContact CB-CB 4.26Å; F298-V438 PolarHBondContact O-N 3.21Å; F298-A439 HydrophobicContact CB-CB 4.23Å; F298-A439 HydrophobicContact CD2-CB 4.46Å; F298-A439 PolarHBondContact N-O 3.27Å; F298-A439 PolarHBondContact O-N 3.07Å
299	L	88.9	Confident	90.5	Very high	37 Å²	37	25.2 Å²	25.2	19%	0.194	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	146.5	165.3	-65.7	168.7	0	0	0	109.8	Y284 Q301 Q302 Y303 Q436 L437	Y284-L299 HydrophobicContact CD2-CD1 3.49Å; Y284-L299 VanDerWaalsContact CD2-CD1 3.49Å; Y284-L299 HydrophobicContact CE1-CD1 4.5Å; Y284-L299 HydrophobicContact CE2-CB 4.22Å; Y284-L299 HydrophobicContact CE2-CD1 3.25Å; Y284-L299 HydrophobicContact CE2-CG 4.34Å; Y284-L299 HydrophobicContact CG-CD1 4.23Å; L299-Q301 PolarHBondContact O-N 3.45Å; L299-Q301 VanDerWaalsContact O-N 3.16Å; L299-Q302 PolarHBondContact O-N 2.85Å; L299-Y303 PolarHBondContact O-N 2.68Å; L299-Q436 CarbonylContact C-O 3.57Å; L299-Q436 VanDerWaalsContact CA-O 3.31Å; L299-Q436 WeakPolarHBondContact CA-O 3.45Å; L299-L437 HydrophobicContact CD2-CD1 3.97Å
300	E	87.5	Confident	90.9	Very high	124 Å²	124	24.5 Å²	24.5	58%	0.579	13%	0.125	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-37.4	-177.4	-171.8	-177.2	-165.9	0	0	112	Q302 Q436 V438	E300-Q302 PolarHBondContact O-N 3.46Å; E300-Q436 PolarHBondContact N-O 2.71Å; E300-V438 VanDerWaalsContact CA-CG2 3.49Å; E300-V438 HydrophobicContact CB-CG2 3.75Å; E300-V438 HydrophobicContact CG-CG2 4.26Å
301	Q	86.1	Confident	91.1	Very high	91 Å²	91	24.5 Å²	24.5	43%	0.425	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-23.5	179.9	-67.3	-162.9	20.2	0	0	114.5	R169 L299	R169-Q301 PolarHBondContact NE-O 2.88Å; R169-Q301 VanDerWaalsContact NH2-CB 3.27Å; R169-Q301 PolarHBondContact NH2-O 2.92Å; L299-Q301 PolarHBondContact O-N 3.45Å; L299-Q301 VanDerWaalsContact O-N 3.16Å
302	Q	88.1	Confident	91	Very high	33 Å²	33	24.7 Å²	24.7	15%	0.154	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-36.6	-177.6	-175.7	-173.6	11	0	0	112	N281 L283 L299 E300 R304	N281-Q302 PolarHBondContact ND2-OE1 3.32Å; L283-Q302 PolarHBondContact O-NE2 2.87Å; L299-Q302 PolarHBondContact O-N 2.85Å; E300-Q302 PolarHBondContact O-N 3.46Å; Q302-R304 PolarHBondContact O-N 2.81Å
303	Y	90.5	Very high	90.7	Very high	30 Å²	30	24.3 Å²	24.3	12%	0.118	12%	0.123	C	C	.	.			trans	-69.3	118.9	-171.2	-180	-115.5	0	0	0	112.7	F298 L299 E305 D308 V310 V438 H469	F298-Y303 HydrophobicContact CB-CD2 4.43Å; F298-Y303 AromaticContact CD1-CD2 3.7Å; F298-Y303 HydrophobicContact CD1-CD2 3.7Å; F298-Y303 HydrophobicContact CD1-CG 4.19Å; F298-Y303 HydrophobicContact CD2-CD2 4.1Å; F298-Y303 AromaticContact CE1-CD2 3.82Å; F298-Y303 HydrophobicContact CE1-CD2 3.82Å; F298-Y303 HydrophobicContact CE2-CD2 4.18Å; F298-Y303 AromaticContact CG-CD2 3.83Å; F298-Y303 HydrophobicContact CG-CD2 3.83Å; F298-Y303 HydrophobicContact CG-CG 4.33Å; F298-Y303 HydrophobicContact CZ-CD2 4.03Å; L299-Y303 PolarHBondContact O-N 2.68Å; Y303-E305 HydrophobicContact CE1-CB 4.05Å; Y303-E305 HydrophobicContact CE1-CG 4.44Å; Y303-D308 HydrophobicContact CD2-CB 3.97Å; Y303-D308 HydrophobicContact CE2-CB 4.01Å; Y303-V310 HydrophobicContact CE2-CG2 3.93Å; Y303-V438 HydrophobicContact CD1-CG1 3.84Å; Y303-V438 HydrophobicContact CE1-CG1 4.29Å; Y303-V438 HydrophobicContact CG-CG1 4.18Å; Y303-H469 PolarHBondContact OH-CE1 3.41Å; Y303-H469 PolarHBondContact OH-NE2 3.42Å
304	R	90.5	Very high	90.2	Very high	16 Å²	16	24.3 Å²	24.3	6%	0.06	12%	0.123	C	C	.	.			trans	-99.5	101.2	174.2	-59.7	166.1	-69.5	-174.2	0.6	109.8	P168 G289 A291 Q302 G306 F307 D308	P168-R304 VanDerWaalsContact O-CD 3.26Å; P168-R304 WeakPolarHBondContact O-CD 3.17Å; G289-R304 PolarHBondContact O-NH1 2.98Å; A291-R304 PolarHBondContact O-NH1 2.95Å; A291-R304 PolarHBondContact O-NH2 3.46Å; Q302-R304 PolarHBondContact O-N 2.81Å; R304-G306 PolarHBondContact O-N 3.15Å; R304-F307 HydrophobicContact CB-CB 4.11Å; R304-F307 PolarHBondContact O-N 3.37Å; R304-D308 WeakPolarHBondContact CB-OD2 3.39Å; R304-D308 WeakPolarHBondContact CG-OD2 3.47Å; R304-D308 IonicContact CZ-OD1 3.7Å; R304-D308 IonicContact CZ-OD2 2.59Å; R304-D308 PolarHBondContact N-OD2 3.46Å; R304-D308 IonicContact NE-OD1 2.76Å; R304-D308 PolarHBondContact NE-OD1 2.84Å; R304-D308 IonicContact NE-OD2 3.81Å; R304-D308 PolarHBondContact NE-OD2 3.27Å; R304-D308 IonicContact NH2-OD1 3.86Å; R304-D308 PolarHBondContact NH2-OD1 3.38Å; R304-D308 IonicContact NH2-OD2 3.09Å; R304-D308 PolarHBondContact O-N 3.11Å
305	E	88.3	Confident	89.1	Confident	98 Å²	98	25.5 Å²	25.5	46%	0.458	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	133	-179.6	-172.5	-179.4	-159	0	0	112.4	R172 Y303 F307	R172-E305 PolarHBondContact NH1-O 3.36Å; Y303-E305 HydrophobicContact CE1-CB 4.05Å; Y303-E305 HydrophobicContact CE1-CG 4.44Å; E305-F307 PolarHBondContact O-N 3.28Å
306	G	87.2	Confident	88.3	Confident	30 Å²	30	26.2 Å²	26.2	31%	0.309	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.7	10.7	-178.8	0	0	0	0	0	114.6	L173 R304	L173-G306 WeakPolarHBondContact CD1-O 3.42Å; R304-G306 PolarHBondContact O-N 3.15Å
307	F	91.1	Very high	87.1	Confident	16 Å²	16	26.3 Å²	26.3	7%	0.07	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129	-47.9	173.5	-170.1	-106.5	0	0	0	111.4	L173 C176 R290 A292 R304 E305	L173-F307 HydrophobicContact CG-CD2 4.21Å; C176-F307 HydrophobicContact CB-CE2 3.96Å; C176-F307 HydrophobicContact CB-CZ 3.88Å; R290-F307 WeakPolarHBondContact O-CZ 3.24Å; A292-F307 HydrophobicContact CB-CD1 4.14Å; A292-F307 HydrophobicContact CB-CE1 3.76Å; A292-F307 HydrophobicContact CB-CZ 4.04Å; R304-F307 HydrophobicContact CB-CB 4.11Å; R304-F307 PolarHBondContact O-N 3.37Å; E305-F307 PolarHBondContact O-N 3.28Å
308	D	93.9	Very high	85.7	Confident	1 Å²	1	30 Å²	30	1%	0.005	15%	0.154	C	C	.	.	S	Bend	trans	-84.1	156.3	172.7	-66.1	-35.9	0	0	0	111.7	V293 F298 Y303 R304	V293-D308 PolarHBondContact N-OD1 3.45Å; V293-D308 WeakPolarHBondContact O-CA 3.32Å; V293-D308 WeakPolarHBondContact O-CB 3.47Å; F298-D308 HydrophobicContact CE1-CB 4.02Å; F298-D308 HydrophobicContact CZ-CB 3.86Å; Y303-D308 HydrophobicContact CD2-CB 3.97Å; Y303-D308 HydrophobicContact CE2-CB 4.01Å; R304-D308 WeakPolarHBondContact CB-OD2 3.39Å; R304-D308 WeakPolarHBondContact CG-OD2 3.47Å; R304-D308 IonicContact CZ-OD1 3.7Å; R304-D308 IonicContact CZ-OD2 2.59Å; R304-D308 PolarHBondContact N-OD2 3.46Å; R304-D308 IonicContact NE-OD1 2.76Å; R304-D308 PolarHBondContact NE-OD1 2.84Å; R304-D308 IonicContact NE-OD2 3.81Å; R304-D308 PolarHBondContact NE-OD2 3.27Å; R304-D308 IonicContact NH2-OD1 3.86Å; R304-D308 PolarHBondContact NH2-OD1 3.38Å; R304-D308 IonicContact NH2-OD2 3.09Å; R304-D308 PolarHBondContact O-N 3.11Å
309	L	94.7	Very high	84.4	Confident	8 Å²	8	33.2 Å²	33.2	4%	0.042	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	119.4	-174.3	-59.2	176.5	0	0	0	110.9	V293 A294 Q295 F298 V311 I526 I530	V293-L309 PolarHBondContact O-N 2.92Å; A294-L309 VanDerWaalsContact CA-O 3.31Å; A294-L309 WeakPolarHBondContact CA-O 3.48Å; A294-L309 HydrophobicContact CB-CB 4.11Å; Q295-L309 PolarHBondContact N-O 3.42Å; Q295-L309 VanDerWaalsContact N-O 3.1Å; F298-L309 WeakPolarHBondContact CE2-O 3.45Å; L309-V311 HydrophobicContact CB-CG1 4.28Å; L309-V311 PolarHBondContact O-N 3.07Å; L309-I526 HydrophobicContact CD1-CG2 4.09Å; L309-I530 HydrophobicContact CD1-CD1 4.2Å; L309-I530 HydrophobicContact CD1-CG1 3.82Å
310	V	94.4	Very high	83.3	Confident	5 Å²	5	39.4 Å²	39.4	3%	0.03	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	117.9	165.3	-173.9	0	0	0	0	108.2	Q295 F298 Y303 A439 R465 P467 Y468	Q295-V310 WeakPolarHBondContact O-CA 3.35Å; F298-V310 HydrophobicContact CD2-CG2 3.89Å; F298-V310 HydrophobicContact CE2-CG2 4.09Å; Y303-V310 HydrophobicContact CE2-CG2 3.93Å; V310-A439 HydrophobicContact CG1-CB 3.67Å; V310-A439 HydrophobicContact CG2-CB 4.22Å; V310-R465 HydrophobicContact CG2-CB 4.3Å; V310-P467 VanDerWaalsContact O-CA 3.29Å; V310-P467 WeakPolarHBondContact O-CA 3.34Å; V310-Y468 PolarHBondContact O-N 3.49Å
311	V	92.7	Very high	82.4	Confident	2 Å²	2	34.2 Å²	34.2	1%	0.012	18%	0.181	C	C	.	.			trans	-113.2	154.2	-179.3	-53.4	0	0	0	0	111.3	A294 Q295 S296 L309 Y468 I526	A294-V311 HydrophobicContact CB-CG1 3.89Å; Q295-V311 PolarHBondContact O-N 3.34Å; S296-V311 VanDerWaalsContact CA-O 3.26Å; S296-V311 WeakPolarHBondContact CA-O 3.32Å; S296-V311 WeakPolarHBondContact CB-O 3.37Å; S296-V311 PolarHBondContact OG-O 3.25Å; L309-V311 HydrophobicContact CB-CG1 4.28Å; L309-V311 PolarHBondContact O-N 3.07Å; V311-Y468 HydrophobicContact CB-CE1 4.47Å; V311-Y468 HydrophobicContact CG1-CE1 3.88Å; V311-I526 HydrophobicContact CG1-CD1 3.9Å; V311-I526 HydrophobicContact CG1-CG1 3.76Å
312	S	89.4	Confident	81.7	Confident	4 Å²	4	33.2 Å²	33.2	3%	0.028	18%	0.178	C	C	.	.			trans	-70.1	150.3	175.1	59.1	0	0	0	0	111.8	S296 F516 V522	S296-S312 PolarHBondContact OG-O 3.38Å; S312-F516 WeakPolarHBondContact OG-CD1 3.46Å; S312-V522 WeakPolarHBondContact OG-CG2 3.45Å
313	P	86.9	Confident	80.9	Confident	2 Å²	2	34.4 Å²	34.4	1%	0.013	18%	0.183	C	C	.	.			trans	-64.1	150.8	166.5	27.5	-32.6	0	0	0	110.9	S274 V315 M445	S274-P313 CarbonylContact O-C 3.49Å; S274-P313 VanDerWaalsContact O-CA 3.25Å; S274-P313 WeakPolarHBondContact O-CA 3.35Å; S274-P313 WeakPolarHBondContact O-CB 3.22Å; P313-V315 HydrophobicContact CG-CG2 4.41Å; P313-V315 PolarHBondContact O-N 2.97Å; P313-V315 VanDerWaalsContact O-N 3.13Å; P313-M445 HydrophobicContact CB-CG 4.15Å; P313-M445 HydrophobicContact CG-CG 3.68Å
314	L	84.1	Confident	80	Confident	3 Å²	3	36.4 Å²	36.4	2%	0.016	20%	0.196	C	C	.	.			trans	-82.1	82.1	176.1	-69.6	-174	0	0	0	110.6	F273 S274 R275 V522	F273-L314 HydrophobicContact CB-CD1 3.48Å; F273-L314 VanDerWaalsContact CB-CD1 3.48Å; F273-L314 HydrophobicContact CB-CG 3.82Å; F273-L314 HydrophobicContact CD1-CD1 4.07Å; F273-L314 HydrophobicContact CD1-CD2 4.23Å; F273-L314 HydrophobicContact CD1-CG 3.96Å; F273-L314 HydrophobicContact CD2-CD1 3.81Å; F273-L314 HydrophobicContact CG-CD1 3.52Å; F273-L314 HydrophobicContact CG-CG 3.88Å; S274-L314 PolarHBondContact O-N 2.75Å; R275-L314 HydrophobicContact CG-CB 4.26Å; L314-V522 HydrophobicContact CD2-CB 4.21Å; L314-V522 HydrophobicContact CD2-CG1 4.38Å; L314-V522 HydrophobicContact CD2-CG2 4.09Å
315	V	72.4	Confident	79.3	Confident	24 Å²	24	42.5 Å²	42.5	15%	0.145	23%	0.225	C	C	.	.	S	Bend	trans	-72.5	-39.7	175	-176.1	0	0	0	0	110.8	P313 F448	P313-V315 HydrophobicContact CG-CG2 4.41Å; P313-V315 PolarHBondContact O-N 2.97Å; P313-V315 VanDerWaalsContact O-N 3.13Å; V315-F448 HydrophobicContact CB-CD1 3.71Å; V315-F448 HydrophobicContact CB-CE1 3.44Å; V315-F448 VanDerWaalsContact CB-CE1 3.44Å; V315-F448 HydrophobicContact CB-CZ 4.03Å; V315-F448 HydrophobicContact CG1-CD1 3.89Å; V315-F448 HydrophobicContact CG1-CE1 3.56Å; V315-F448 HydrophobicContact CG2-CD1 3.53Å; V315-F448 HydrophobicContact CG2-CE1 3.84Å; V315-F448 HydrophobicContact CG2-CG 4.04Å
316	H	75.6	Confident	78.9	Confident	17 Å²	17	38.9 Å²	38.9	8%	0.079	21%	0.209	C	C	.	.	S	Bend	trans	-111.4	91.4	175.5	-67.4	-50.9	0	0	0	110.4	R414 F448 E452 S517	H316-R414 PolarHBondContact CE1-NH2 3.28Å; H316-R414 PolarHBondContact NE2-NH2 3.28Å; H316-F448 AromaticContact CD2-CZ 3.62Å; H316-E452 IonicContact CE1-OE1 2.76Å; H316-E452 PolarHBondContact CE1-OE1 3.42Å; H316-E452 IonicContact NE2-OE1 3.99Å; H316-E452 PolarHBondContact NE2-OE1 3.19Å; H316-E452 IonicContact NE2-OE2 2.68Å; H316-S517 WeakPolarHBondContact CB-O 3.44Å; H316-S517 PolarHBondContact CD2-O 3.19Å
317	A	64.4	Low	78.9	Confident	5 Å²	5	38.5 Å²	38.5	4%	0.041	20%	0.201	C	C	.	.	S	Bend	trans	-78.2	-42.1	-174.4	0	0	0	0	0	113.4	L207 A211 S519	L207-A317 HydrophobicContact CD2-CB 3.52Å; L207-A317 HydrophobicContact CG-CB 3.79Å; A211-A317 HydrophobicContact CB-CB 4.2Å; A211-A317 WeakPolarHBondContact CB-O 3.3Å; A317-S519 WeakPolarHBondContact O-CB 3.35Å; A317-S519 PolarHBondContact O-OG 2.91Å
318	L	61.7	Low	78.9	Confident	85 Å²	85	41.2 Å²	41.2	45%	0.445	22%	0.221	S	C	.	.	S	Bend	trans	-132.4	-8.2	-175.9	-67.9	-179	0	0	0	114.6	L207 Q210 A211	L207-L318 HydrophobicContact CD1-CD1 3.38Å; L207-L318 HydrophobicContact CD1-CG 3.93Å; L207-L318 HydrophobicContact CG-CD1 4.36Å; L207-L318 HydrophobicContact CG-CG 4.46Å; Q210-L318 HydrophobicContact CG-CD1 4.21Å; Q210-L318 HydrophobicContact CG-CD2 4.3Å; A211-L318 HydrophobicContact CB-CD2 3.95Å; A211-L318 HydrophobicContact CB-CG 4.48Å
319	S	63.3	Low	78.8	Confident	67 Å²	67	41.6 Å²	41.6	47%	0.469	22%	0.222	S	C	.	.	P	Polyproline II helix	trans	-95.2	125.2	-179.5	49.9	0	0	0	0	110.3
320	E	66.5	Low	78.6	Confident	166 Å²	166	44.6 Å²	44.6	78%	0.776	24%	0.241	S	C	*	.	P	Polyproline II helix	trans	-64.3	138.3	163.2	-71.4	-174	-178	0	0	109.3	N322	E320-N322 PolarHBondContact O-N 3.22Å
321	P	67.8	Low	78.5	Confident	15 Å²	15	49 Å²	49	10%	0.097	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-61.1	126.8	173.9	24.2	-33.2	0	0	0	110.5	F323 W512	P321-F323 PolarHBondContact O-N 3.47Å; P321-W512 HydrophobicContact CB-CH2 3.28Å; P321-W512 HydrophobicContact CB-CZ2 3.9Å; P321-W512 HydrophobicContact CB-CZ3 4.11Å; P321-W512 HydrophobicContact CG-CH2 3.91Å; P321-W512 HydrophobicContact CG-CZ3 4.34Å
322	N	73.3	Confident	78.5	Confident	70 Å²	70	49.8 Å²	49.8	37%	0.374	27%	0.274	S	S	.	.			trans	-72	103.5	171.8	-173.3	-5.6	0	0	0	109.6	E320 L324 E325	E320-N322 PolarHBondContact O-N 3.22Å; N322-L324 PolarHBondContact O-N 3.31Å; N322-L324 WeakPolarHBondContact OD1-CB 3.42Å; N322-L324 PolarHBondContact OD1-N 3.43Å; N322-E325 HydrophobicContact CB-CB 4.21Å; N322-E325 HydrophobicContact CB-CG 4.07Å; N322-E325 VanDerWaalsContact ND2-CD 3.35Å; N322-E325 PolarHBondContact ND2-OE1 3.09Å; N322-E325 PolarHBondContact O-N 2.73Å
323	F	70	Confident	78.7	Confident	58 Å²	58	55.3 Å²	55.3	25%	0.254	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-22.3	178.2	-64.9	-81.3	0	0	0	113.3	P321 E513 V882	P321-F323 PolarHBondContact O-N 3.47Å; F323-E513 HydrophobicContact CE1-CG 4.5Å; F323-V882 HydrophobicContact CB-CG1 4.35Å
324	L	71.5	Confident	79.1	Confident	73 Å²	73	57 Å²	57	38%	0.382	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-17.7	177.6	-60.1	174.6	0	0	0	113.9	N322 F878 K881 V882	N322-L324 PolarHBondContact O-N 3.31Å; N322-L324 WeakPolarHBondContact OD1-CB 3.42Å; N322-L324 PolarHBondContact OD1-N 3.43Å; L324-F878 HydrophobicContact CD2-CD2 4.45Å; L324-F878 HydrophobicContact CD2-CE2 3.83Å; L324-F878 HydrophobicContact CD2-CZ 4.48Å; L324-K881 HydrophobicContact CD2-CD 3.72Å; L324-K881 HydrophobicContact CD2-CG 4.12Å; L324-K881 VanDerWaalsContact O-CE 3.26Å; L324-K881 WeakPolarHBondContact O-CE 3.43Å; L324-V882 HydrophobicContact CD2-CG2 4.49Å
325	E	75.6	Confident	79.7	Confident	143 Å²	143	62.6 Å²	62.6	67%	0.668	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	-8.2	178.6	-72.4	171.5	-157.7	0	0	112.6	N322	N322-E325 HydrophobicContact CB-CB 4.21Å; N322-E325 HydrophobicContact CB-CG 4.07Å; N322-E325 VanDerWaalsContact ND2-CD 3.35Å; N322-E325 PolarHBondContact ND2-OE1 3.09Å; N322-E325 PolarHBondContact O-N 2.73Å
326	V	80.6	Confident	80.8	Confident	22 Å²	22	63.6 Å²	63.6	13%	0.133	33%	0.33	C	S	.	.	S	Bend	trans	-71.4	130.6	178.6	167.7	0	0	0	0	109.3	R509 W512	V326-R509 VanDerWaalsContact CG2-NH2 3.31Å; V326-W512 HydrophobicContact CG2-CH2 4.35Å
327	P	87.6	Confident	81.9	Confident	23 Å²	23	64 Å²	64	15%	0.149	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-69.5	148.5	179.5	28.8	-35.1	0	0	0	111.7	K422 V453	P327-K422 HydrophobicContact CG-CG 4.39Å; P327-V453 VanDerWaalsContact CG-C 3.48Å; P327-V453 VanDerWaalsContact CG-CA 3.48Å; P327-V453 HydrophobicContact CG-CB 3.96Å; P327-V453 WeakPolarHBondContact CG-O 3.31Å
328	P	90.9	Very high	83.4	Confident	73 Å²	73	63.8 Å²	63.8	47%	0.474	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-64.6	150	175.9	28.9	-35.2	0	0	0	111.2	V330 R334 G884	P328-V330 VanDerWaalsContact C-N 3.26Å; P328-V330 WeakPolarHBondContact CB-O 3.29Å; P328-V330 PolarHBondContact O-N 3.33Å; P328-R334 PolarHBondContact O-NH2 2.89Å; P328-G884 CarbonylContact C-O 3.44Å; P328-G884 VanDerWaalsContact CA-O 3.31Å; P328-G884 WeakPolarHBondContact CA-O 3.32Å
329	Q	91	Very high	85.1	Confident	9 Å²	9	59.9 Å²	59.9	4%	0.042	31%	0.31	C	S	.	.	S	Bend	trans	-76.6	-19.4	178.1	-57.1	-175.7	18.5	0	0	112.3	L502 R505 G884	Q329-L502 HydrophobicContact CB-CD1 3.99Å; Q329-R505 PolarHBondContact O-NH1 3.13Å; Q329-G884 PolarHBondContact N-O 3.4Å
330	V	90.4	Very high	86.7	Confident	71 Å²	71	56.9 Å²	56.9	43%	0.43	29%	0.288	S	S	.	.			trans	-110.9	140.7	175.5	-65.4	0	0	0	0	110.3	P328 L502	P328-V330 VanDerWaalsContact C-N 3.26Å; P328-V330 WeakPolarHBondContact CB-O 3.29Å; P328-V330 PolarHBondContact O-N 3.33Å; V330-L502 HydrophobicContact CG1-CD1 4.23Å
331	P	92.6	Very high	88	Confident	96 Å²	96	50.5 Å²	50.5	62%	0.623	26%	0.259	S	S	*	.	S	Bend	cis	-68.6	149.9	0.6	30.8	-36.2	0	0	0	112.7	R505	P331-R505 PolarHBondContact O-NH1 3.04Å
332	V	92.7	Very high	89.1	Confident	19 Å²	19	49.8 Å²	49.8	12%	0.115	25%	0.254	C	S	.	.	S	Bend	trans	-64.7	-48.5	-178	-177.9	0	0	0	0	110.2	D498 M501 L502 R505	V332-D498 HydrophobicContact CG1-CB 4.44Å; V332-M501 HydrophobicContact CG1-CB 3.38Å; V332-M501 HydrophobicContact CG1-CE 3.99Å; V332-M501 HydrophobicContact CG1-CG 4.41Å; V332-M501 HydrophobicContact CG1-SD 4.29Å; V332-L502 HydrophobicContact CG2-CB 3.94Å; V332-L502 HydrophobicContact CG2-CD1 4.21Å; V332-L502 HydrophobicContact CG2-CD2 4.48Å; V332-L502 HydrophobicContact CG2-CG 4.41Å; V332-R505 PolarHBondContact O-NH1 3.09Å; V332-R505 VanDerWaalsContact O-NH1 3.16Å; V332-R505 PolarHBondContact O-NH2 3.16Å; V332-R505 VanDerWaalsContact O-NH2 3.09Å
333	K	93.9	Very high	89.8	Confident	121 Å²	121	47.7 Å²	47.7	53%	0.526	24%	0.242	S	C	.	.	S	Bend	trans	-86.8	130.5	172.4	-62.9	179.8	179.3	157.9	0	109.6	D498 M501	K333-D498 WeakPolarHBondContact CE-OD1 3.34Å; K333-D498 IonicContact NZ-OD1 3.05Å; K333-D498 PolarHBondContact NZ-OD1 3.48Å; K333-D498 VanDerWaalsContact NZ-OD1 3.14Å; K333-M501 HydrophobicContact CG-CE 4.1Å
334	R	95.3	Very high	90.2	Very high	36 Å²	36	46.8 Å²	46.8	14%	0.136	24%	0.237	C	C	.	.			trans	-111.2	178.2	177.9	-63.3	177.6	174.2	168.8	-3	110	P328 Y336 L421 K422 A423 S424 T425 V453	P328-R334 PolarHBondContact O-NH2 2.89Å; R334-Y336 VanDerWaalsContact C-N 3.33Å; R334-Y336 PolarHBondContact O-N 2.75Å; R334-L421 PolarHBondContact NH1-O 3.48Å; R334-K422 WeakPolarHBondContact CD-O 3.35Å; R334-K422 PolarHBondContact NE-O 2.49Å; R334-K422 PolarHBondContact NH1-O 3.2Å; R334-A423 VanDerWaalsContact CB-O 3.25Å; R334-A423 WeakPolarHBondContact CB-O 3.19Å; R334-S424 VanDerWaalsContact CD-O 3.3Å; R334-S424 WeakPolarHBondContact CD-O 3.43Å; R334-S424 PolarHBondContact NH1-O 3.35Å; R334-T425 PolarHBondContact N-OG1 3.29Å; R334-V453 PolarHBondContact NH1-O 3.1Å; R334-V453 PolarHBondContact NH2-O 3.43Å
335	K	95.8	Very high	89.8	Confident	122 Å²	122	47 Å²	47	53%	0.53	24%	0.241	S	C	.	.	S	Bend	trans	-48.8	-52.8	-175.4	-179.4	-174.8	177.2	-167.4	0	112.1	Q390 A423	K335-Q390 VanDerWaalsContact CG-OE1 3.25Å; K335-Q390 WeakPolarHBondContact O-CB 3.08Å; K335-A423 HydrophobicContact CB-CB 4.42Å; K335-A423 PolarHBondContact N-O 3.31Å
336	Y	97.3	Very high	89	Confident	45 Å²	45	45.2 Å²	45.2	18%	0.176	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	135.3	178.1	-58.7	-74.4	0	0	0	110.6	R334 T339 Q390 L392 A423 T425	R334-Y336 VanDerWaalsContact C-N 3.33Å; R334-Y336 PolarHBondContact O-N 2.75Å; Y336-T339 HydrophobicContact CD1-CG2 4.44Å; Y336-T339 HydrophobicContact CD2-CG2 4.05Å; Y336-T339 HydrophobicContact CG-CG2 3.76Å; Y336-Q390 CarbonylContact C-O 3.59Å; Y336-Q390 VanDerWaalsContact CA-O 3.23Å; Y336-Q390 WeakPolarHBondContact CA-O 3.22Å; Y336-Q390 HydrophobicContact CD1-CB 4.04Å; Y336-Q390 HydrophobicContact CE1-CB 4.47Å; Y336-L392 HydrophobicContact CD1-CB 3.96Å; Y336-L392 HydrophobicContact CE1-CB 3.94Å; Y336-A423 HydrophobicContact CD2-CB 3.89Å; Y336-A423 HydrophobicContact CE2-CB 4.06Å; Y336-A423 PolarHBondContact N-O 2.96Å; Y336-T425 PolarHBondContact O-N 3.04Å; Y336-T425 PolarHBondContact O-OG1 3Å
337	L	97.1	Very high	87.5	Confident	24 Å²	24	45.8 Å²	45.8	13%	0.126	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	-59	170.8	176.7	65.4	0	0	0	108.9	D389 Q390 V391 T425 F426 R494	L337-D389 HydrophobicContact CB-CB 4.08Å; L337-D389 HydrophobicContact CD2-CB 4.12Å; L337-Q390 PolarHBondContact N-O 2.94Å; L337-V391 HydrophobicContact CB-CG2 4.31Å; L337-T425 VanDerWaalsContact O-CB 3.3Å; L337-T425 WeakPolarHBondContact O-CB 3.18Å; L337-F426 HydrophobicContact CD1-CD2 4.06Å; L337-F426 HydrophobicContact CD1-CE2 4.02Å; L337-F426 VanDerWaalsContact O-CD2 3.26Å; L337-F426 WeakPolarHBondContact O-CD2 3.21Å; L337-F426 PolarHBondContact O-N 3.49Å; L337-R494 HydrophobicContact CD2-CG 4.04Å
338	F	97.5	Very high	85.2	Confident	2 Å²	2	50.8 Å²	50.8	1%	0.009	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	156.8	171	67	-96.6	0	0	0	111.3	L380 V383 V391 L392 V393 F426 L493	F338-L380 HydrophobicContact CE2-CD2 3.88Å; F338-L380 HydrophobicContact CZ-CD2 3.89Å; F338-V383 HydrophobicContact CE1-CG1 4.16Å; F338-V383 HydrophobicContact CZ-CG1 4.04Å; F338-V391 HydrophobicContact CD1-CG1 4.46Å; F338-V391 HydrophobicContact CD1-CG2 3.98Å; F338-V391 HydrophobicContact CD2-CG1 3.87Å; F338-V391 HydrophobicContact CE1-CG1 4.02Å; F338-V391 HydrophobicContact CE1-CG2 3.65Å; F338-V391 HydrophobicContact CE2-CG1 3.33Å; F338-V391 HydrophobicContact CE2-CG2 4.48Å; F338-V391 HydrophobicContact CG-CG1 4.4Å; F338-V391 HydrophobicContact CZ-CB 4.34Å; F338-V391 HydrophobicContact CZ-CG1 3.43Å; F338-V391 VanDerWaalsContact CZ-CG1 3.43Å; F338-V391 HydrophobicContact CZ-CG2 3.93Å; F338-L392 PolarHBondContact O-N 3.47Å; F338-V393 HydrophobicContact CD2-CG1 4.4Å; F338-V393 HydrophobicContact CE2-CG1 3.84Å; F338-F426 VanDerWaalsContact CA-O 3.26Å; F338-F426 WeakPolarHBondContact CA-O 3.48Å; F338-F426 HydrophobicContact CB-CB 3.79Å; F338-L493 HydrophobicContact CB-CD1 4.12Å; F338-L493 HydrophobicContact CD1-CD1 3.77Å; F338-L493 HydrophobicContact CG-CD1 4.2Å
339	T	97.3	Very high	82.8	Confident	3 Å²	3	57.9 Å²	57.9	2%	0.018	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	149.6	176.6	59.6	0	0	0	0	112.6	Y336 L392 V420 S424 F426 L428	Y336-T339 HydrophobicContact CD1-CG2 4.44Å; Y336-T339 HydrophobicContact CD2-CG2 4.05Å; Y336-T339 HydrophobicContact CG-CG2 3.76Å; T339-L392 CarbonylContact C-O 3.58Å; T339-L392 WeakPolarHBondContact CA-O 3.12Å; T339-L392 HydrophobicContact CG2-CB 3.86Å; T339-V420 HydrophobicContact CG2-CG1 4.16Å; T339-S424 WeakPolarHBondContact CB-OG 3.3Å; T339-S424 WeakPolarHBondContact CG2-OG 3.44Å; T339-S424 WeakPolarHBondContact OG1-CB 3.42Å; T339-S424 PolarHBondContact OG1-OG 2.77Å; T339-F426 PolarHBondContact N-O 3.31Å; T339-L428 WeakPolarHBondContact O-CB 3.38Å; T339-L428 PolarHBondContact O-N 2.94Å
340	F	95.9	Very high	80.4	Confident	3 Å²	3	60.3 Å²	60.3	1%	0.013	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	134.8	172.2	-178.5	-105	0	0	0	109.6	L392 V393 E394 F395 W408 L428 I430	F340-L392 PolarHBondContact N-O 2.88Å; F340-V393 HydrophobicContact CB-CB 4.42Å; F340-V393 HydrophobicContact CB-CG1 3.95Å; F340-V393 CarbonylContact O-C 3.53Å; F340-V393 VanDerWaalsContact O-CA 3.32Å; F340-V393 WeakPolarHBondContact O-CA 3.27Å; F340-E394 PolarHBondContact O-N 2.94Å; F340-F395 AromaticContact CD1-CD1 3.92Å; F340-F395 HydrophobicContact CD1-CD1 3.92Å; F340-F395 AromaticContact CD1-CE1 3.54Å; F340-F395 HydrophobicContact CD1-CE1 3.54Å; F340-F395 HydrophobicContact CD1-CZ 4.21Å; F340-F395 AromaticContact CE1-CD1 3.67Å; F340-F395 HydrophobicContact CE1-CD1 3.67Å; F340-F395 AromaticContact CE1-CE1 3.58Å; F340-F395 HydrophobicContact CE1-CE1 3.58Å; F340-W408 HydrophobicContact CE1-CD2 4.22Å; F340-W408 AromaticContact CE1-CE3 3.85Å; F340-W408 HydrophobicContact CE1-CE3 3.85Å; F340-W408 HydrophobicContact CE1-CZ3 4.1Å; F340-W408 HydrophobicContact CZ-CB 4.11Å; F340-W408 AromaticContact CZ-CD2 3.71Å; F340-W408 HydrophobicContact CZ-CD2 3.71Å; F340-W408 AromaticContact CZ-CE3 3.76Å; F340-W408 HydrophobicContact CZ-CE3 3.76Å; F340-W408 AromaticContact CZ-CG 3.89Å; F340-W408 HydrophobicContact CZ-CG 3.89Å; F340-W408 HydrophobicContact CZ-CZ3 4.41Å; F340-L428 HydrophobicContact CB-CB 3.97Å; F340-L428 HydrophobicContact CB-CD2 4.02Å; F340-L428 HydrophobicContact CD2-CB 4.07Å; F340-L428 HydrophobicContact CD2-CD2 4.3Å; F340-L428 HydrophobicContact CD2-CG 4.39Å; F340-L428 WeakPolarHBondContact CD2-O 3.49Å; F340-L428 HydrophobicContact CG-CB 4.43Å; F340-L428 HydrophobicContact CG-CD2 4.25Å; F340-I430 HydrophobicContact CD1-CD1 4.16Å; F340-I430 HydrophobicContact CD2-CD1 3.94Å; F340-I430 HydrophobicContact CD2-CG1 3.97Å; F340-I430 HydrophobicContact CE1-CD1 3.81Å; F340-I430 HydrophobicContact CE2-CB 4.17Å; F340-I430 HydrophobicContact CE2-CD1 3.57Å; F340-I430 HydrophobicContact CE2-CG1 3.58Å; F340-I430 HydrophobicContact CG-CD1 4.22Å; F340-I430 HydrophobicContact CZ-CB 4.46Å; F340-I430 HydrophobicContact CZ-CD1 3.5Å; F340-I430 HydrophobicContact CZ-CG1 3.99Å
341	Q	93.8	Very high	78	Confident	33 Å²	33	61.1 Å²	61.1	15%	0.154	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	115.9	172	-63.8	-175.7	-69.2	0	0	109	E394 C411 R446	Q341-E394 CarbonylContact C-O 3.57Å; Q341-E394 WeakPolarHBondContact CA-O 3.39Å; Q341-E394 HydrophobicContact CB-CB 4.47Å; Q341-E394 HydrophobicContact CG-CB 4.11Å; Q341-E394 PolarHBondContact NE2-OE2 3.27Å; Q341-C411 HydrophobicContact CB-CB 4.3Å; Q341-R446 PolarHBondContact O-NH1 3.37Å; Q341-R446 PolarHBondContact O-NH2 3.43Å
342	G	91.3	Very high	75.5	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.1	158.9	175.1	0	0	0	0	0	112.9	E394 F395 A409 C411	G342-E394 PolarHBondContact N-O 3.33Å; G342-F395 CarbonylContact O-C 3.57Å; G342-F395 WeakPolarHBondContact O-CA 3.23Å; G342-A409 WeakPolarHBondContact CA-O 3.33Å; G342-C411 PolarHBondContact N-SG 3.1Å; G342-C411 VanDerWaalsContact N-SG 3.45Å
343	E	87.9	Confident	72.9	Confident	26 Å²	26	71.6 Å²	71.6	12%	0.121	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	143.6	-179.1	-178.6	172.3	175.6	0	0	110.9	C397 P400 A409	E343-C397 HydrophobicContact CB-CB 4.22Å; E343-C397 VanDerWaalsContact CB-SG 3.54Å; E343-C397 WeakPolarHBondContact OE2-CB 3.43Å; E343-C397 PolarHBondContact OE2-N 3.28Å; E343-P400 HydrophobicContact CB-CB 4.33Å; E343-P400 WeakPolarHBondContact OE2-CB 3.34Å; E343-P400 WeakPolarHBondContact OE2-CG 3.48Å; E343-A409 HydrophobicContact CB-CB 4.48Å; E343-A409 PolarHBondContact N-O 3.36Å; E343-A409 VanDerWaalsContact O-CB 3.28Å; E343-A409 WeakPolarHBondContact O-CB 3.4Å; E343-A409 PolarHBondContact O-N 3Å
344	R	77.8	Confident	70.2	Confident	38 Å²	38	75.5 Å²	75.5	14%	0.143	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	129.1	178.3	-168	177.3	72.8	-175.6	-4.5	109.7	E346 S347 D371 D374 W408	R344-E346 HydrophobicContact CG-CB 4.45Å; R344-E346 PolarHBondContact O-N 3.1Å; R344-E346 VanDerWaalsContact O-N 3.16Å; R344-S347 PolarHBondContact O-N 3.11Å; R344-S347 VanDerWaalsContact O-N 3.12Å; R344-S347 PolarHBondContact O-OG 2.83Å; R344-D371 IonicContact CZ-OD2 3.44Å; R344-D371 IonicContact NH1-OD2 2.69Å; R344-D371 PolarHBondContact NH1-OD2 3.17Å; R344-D374 IonicContact NH1-OD1 2.8Å; R344-W408 HydrophobicContact CB-CZ3 4.4Å
345	V	64.3	Low	67.4	Low	77 Å²	77	78 Å²	78	47%	0.467	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-28.2	179.9	-179.8	0	0	0	0	112.7	S403	V345-S403 WeakPolarHBondContact CG2-OG 3.39Å
346	E	58.7	Low	64.5	Low	107 Å²	107	77.6 Å²	77.6	50%	0.5	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-11.7	178.4	-81.4	175.4	157.6	0	0	115.1	R344 L348 R349 S350	R344-E346 HydrophobicContact CG-CB 4.45Å; R344-E346 PolarHBondContact O-N 3.1Å; R344-E346 VanDerWaalsContact O-N 3.16Å; E346-L348 PolarHBondContact O-N 2.83Å; E346-R349 PolarHBondContact O-N 2.96Å; E346-R349 VanDerWaalsContact O-N 3.07Å; E346-S350 PolarHBondContact O-N 3.16Å
347	S	47.9	Very low	61.8	Low	33 Å²	33	81.8 Å²	81.8	23%	0.231	44%	0.441	C	S	.	.	H	α-helix	trans	-68.8	-13.3	179.6	57.3	0	0	0	0	114	R344 R349 S351	R344-S347 PolarHBondContact O-N 3.11Å; R344-S347 VanDerWaalsContact O-N 3.12Å; R344-S347 PolarHBondContact O-OG 2.83Å; S347-R349 VanDerWaalsContact C-N 3.35Å; S347-S351 PolarHBondContact O-N 3Å; S347-S351 PolarHBondContact O-OG 2.97Å
348	L	40.8	Very low	59.3	Low	128 Å²	128	87.6 Å²	87.6	67%	0.67	47%	0.468	S	S	*	.	H	α-helix	trans	-77.3	-15.5	171.9	-83.3	157.3	0	0	0	113.8	E346	E346-L348 PolarHBondContact O-N 2.83Å
349	R	40.3	Very low	56.7	Low	223 Å²	223	90.5 Å²	90.5	84%	0.842	49%	0.488	S	S	*	.	H	α-helix	trans	-96.8	-30.6	173.5	-78.9	-175.7	175.6	167.4	-0.4	113	E346 S347	E346-R349 PolarHBondContact O-N 2.96Å; E346-R349 VanDerWaalsContact O-N 3.07Å; S347-R349 VanDerWaalsContact C-N 3.35Å
350	S	40.4	Very low	54.2	Low	60 Å²	60	98.8 Å²	98.8	42%	0.42	52%	0.524	S	S	.	.	H	α-helix	trans	-87.1	-11.7	-177.5	62.4	0	0	0	0	114.5	E346 L352 Q353	E346-S350 PolarHBondContact O-N 3.16Å; S350-L352 PolarHBondContact O-N 3.32Å; S350-Q353 PolarHBondContact O-N 3.34Å; S350-Q353 VanDerWaalsContact O-N 3.13Å
351	S	39	Very low	51.8	Low	88 Å²	88	106.4 Å²	106.4	62%	0.615	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.5	10.4	174.4	28.9	0	0	0	0	114.3	S347	S347-S351 PolarHBondContact O-N 3Å; S347-S351 PolarHBondContact O-OG 2.97Å
352	L	40.6	Very low	49.6	Very low	160 Å²	160	110.1 Å²	110.1	84%	0.838	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.5	1.2	169.3	-76	168.1	0	0	0	114.1	S350	S350-L352 PolarHBondContact O-N 3.32Å
353	Q	38.7	Very low	47.5	Very low	175 Å²	175	115.1 Å²	115.1	82%	0.818	60%	0.6	S	S	*	*			trans	-137.2	87.3	174.4	-92.1	171	-21.9	0	0	110.5	S350 A355	S350-Q353 PolarHBondContact O-N 3.34Å; S350-Q353 VanDerWaalsContact O-N 3.13Å; Q353-A355 PolarHBondContact O-N 2.59Å
354	E	36.2	Very low	45.5	Very low	203 Å²	203	121.2 Å²	121.2	95%	0.949	63%	0.633	S	S	*	*			trans	-66.1	109.3	161.6	-72.8	-178.7	160.5	0	0	108.8
355	A	36.2	Very low	43.7	Very low	88 Å²	88	128.2 Å²	128.2	73%	0.727	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-96.9	144.5	161.2	0	0	0	0	0	109.1	Q353	Q353-A355 PolarHBondContact O-N 2.59Å
356	P	35.8	Very low	42.6	Very low	113 Å²	113	126.7 Å²	126.7	73%	0.734	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-71	155.6	-175.4	15.6	-8.3	0	0	0	112	Q358	P356-Q358 PolarHBondContact O-N 3.32Å
357	P	41.2	Very low	41.6	Very low	133 Å²	133	129.2 Å²	129.2	86%	0.864	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-66.5	118	178.6	26.5	-31.5	0	0	0	110.2
358	Q	44.2	Very low	41.2	Very low	147 Å²	147	132.1 Å²	132.1	69%	0.687	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-73	145.6	172.5	-76.7	-179	-14.1	0	0	110.6	P356	P356-Q358 PolarHBondContact O-N 3.32Å
359	S	43	Very low	41.3	Very low	62 Å²	62	128.8 Å²	128.8	43%	0.434	69%	0.688	S	S	.	*	P	Polyproline II helix	trans	-78.6	151.7	-177.7	66.8	0	0	0	0	111.6	E361 E362	S359-E361 PolarHBondContact O-N 2.99Å; S359-E362 PolarHBondContact O-N 3.07Å
360	F	44.1	Very low	41.7	Very low	177 Å²	177	123.7 Å²	123.7	78%	0.776	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.5	-22.3	-179.9	-175.2	-100.8	0	0	0	114.2
361	E	45.7	Very low	42.8	Very low	163 Å²	163	123 Å²	123	76%	0.762	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	-23.8	177.4	-70.3	-179.1	160	0	0	113.2	S359	S359-E361 PolarHBondContact O-N 2.99Å
362	E	46.7	Very low	44.3	Very low	111 Å²	111	124.2 Å²	124.2	52%	0.519	68%	0.677	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.1	-28.1	178	-74.8	174.1	143.2	0	0	112.8	S359 L364 Q365 G366	S359-E362 PolarHBondContact O-N 3.07Å; E362-L364 VanDerWaalsContact C-N 3.29Å; E362-L364 PolarHBondContact O-N 2.83Å; E362-Q365 PolarHBondContact O-N 2.8Å; E362-G366 PolarHBondContact O-N 2.73Å
363	E	48.7	Very low	46.1	Very low	105 Å²	105	116.8 Å²	116.8	49%	0.491	64%	0.638	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.2	-20.6	175.6	-84	-172	155.9	0	0	113.8	Q365	E363-Q365 VanDerWaalsContact C-N 3.3Å
364	L	44.3	Very low	48.2	Very low	154 Å²	154	112.4 Å²	112.4	81%	0.806	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	-14.4	-179.5	-147.9	81.6	0	0	0	112.8	E362	E362-L364 VanDerWaalsContact C-N 3.29Å; E362-L364 PolarHBondContact O-N 2.83Å
365	Q	41.9	Very low	50.4	Low	186 Å²	186	107.6 Å²	107.6	87%	0.869	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.6	-7.1	-179.3	-72.8	-179.2	-4.6	0	0	113.7	E362 E363	E362-Q365 PolarHBondContact O-N 2.8Å; E363-Q365 VanDerWaalsContact C-N 3.3Å
366	G	39.8	Very low	52.9	Low	44 Å²	44	103.5 Å²	103.5	45%	0.454	56%	0.559	S	S	.	*	S	Bend	trans	-99.7	158.1	176.8	0	0	0	0	0	113.5	E362	E362-G366 PolarHBondContact O-N 2.73Å
367	D	37.3	Very low	55.4	Low	161 Å²	161	99.7 Å²	99.7	86%	0.861	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-53.4	140.6	167.1	-78.7	-42.3	0	0	0	110
368	P	40	Very low	57.7	Low	93 Å²	93	95.4 Å²	95.4	60%	0.604	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-54.5	144.4	-179.4	22.1	-32	0	0	0	110.4	A370	P368-A370 PolarHBondContact O-N 2.96Å
369	P	43.9	Very low	59.9	Low	58 Å²	58	89.7 Å²	89.7	38%	0.377	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-52.6	133.8	-179.4	19.3	-30	0	0	0	109.6	D371	P369-D371 PolarHBondContact O-N 3.47Å
370	A	48.4	Very low	62.3	Low	117 Å²	117	86.9 Å²	86.9	97%	0.967	47%	0.468	S	S	*	.	S	Bend	trans	-62.3	-5	-174.8	0	0	0	0	0	113.8	P368	P368-A370 PolarHBondContact O-N 2.96Å
371	D	62.4	Low	64.7	Low	45 Å²	45	83.3 Å²	83.3	24%	0.241	45%	0.452	C	S	.	.			trans	-139.1	113.8	172.7	-167.3	-5.7	0	0	0	111.4	R344 P369 D373 D374	R344-D371 IonicContact CZ-OD2 3.44Å; R344-D371 IonicContact NH1-OD2 2.69Å; R344-D371 PolarHBondContact NH1-OD2 3.17Å; P369-D371 PolarHBondContact O-N 3.47Å; D371-D373 PolarHBondContact O-N 3.39Å; D371-D373 VanDerWaalsContact OD1-CB 3.28Å; D371-D373 WeakPolarHBondContact OD1-CB 3.23Å; D371-D373 PolarHBondContact OD1-N 3.45Å; D371-D374 PolarHBondContact O-N 2.71Å
372	Y	71.5	Confident	66.9	Low	113 Å²	113	78.4 Å²	78.4	44%	0.443	44%	0.44	S	S	.	.	H	α-helix	trans	-60.8	-21.7	174.5	-85.4	-83.4	0	0	0	112.4	R375 I376 P484	Y372-R375 PolarHBondContact O-N 2.95Å; Y372-I376 WeakPolarHBondContact O-CG1 3.38Å; Y372-I376 PolarHBondContact O-N 3.45Å; Y372-P484 HydrophobicContact CE1-CB 4.39Å; Y372-P484 HydrophobicContact CE1-CG 4.06Å
373	D	78.6	Confident	69.1	Low	5 Å²	5	74.2 Å²	74.2	3%	0.027	42%	0.421	C	S	.	.	H	α-helix	trans	-71.4	-30.5	-176	-66.1	-21.1	0	0	0	112.3	D371 R375 I376 I377 W408 K483	D371-D373 PolarHBondContact O-N 3.39Å; D371-D373 VanDerWaalsContact OD1-CB 3.28Å; D371-D373 WeakPolarHBondContact OD1-CB 3.23Å; D371-D373 PolarHBondContact OD1-N 3.45Å; D373-R375 PolarHBondContact O-N 2.9Å; D373-I376 WeakPolarHBondContact O-CB 3.36Å; D373-I376 PolarHBondContact O-N 3.44Å; D373-I376 VanDerWaalsContact O-N 3.17Å; D373-I377 WeakPolarHBondContact O-CG1 3.39Å; D373-I377 PolarHBondContact O-N 2.96Å; D373-W408 HydrophobicContact CB-CZ2 4.22Å; D373-K483 IonicContact OD1-NZ 3.4Å; D373-K483 PolarHBondContact OD1-NZ 3.01Å; D373-K483 IonicContact OD2-NZ 3.63Å
374	D	81.4	Confident	71.2	Confident	83 Å²	83	71.8 Å²	71.8	44%	0.444	41%	0.41	S	S	.	.	H	α-helix	trans	-65.8	-39.3	174.8	-72.4	-25.5	0	0	0	111.5	R344 D371 I376 I377 G378	R344-D374 IonicContact NH1-OD1 2.8Å; D371-D374 PolarHBondContact O-N 2.71Å; D374-I376 VanDerWaalsContact C-N 3.3Å; D374-I376 PolarHBondContact O-N 2.82Å; D374-I377 PolarHBondContact O-N 3.28Å; D374-G378 PolarHBondContact O-N 3.4Å
375	R	83.3	Confident	73.6	Confident	102 Å²	102	69.6 Å²	69.6	39%	0.385	40%	0.399	S	S	.	.	H	α-helix	trans	-64.4	-36.3	173.1	-177.8	174.7	171.4	-177.6	-2.8	111.7	Y372 D373 T379	Y372-R375 PolarHBondContact O-N 2.95Å; D373-R375 PolarHBondContact O-N 2.9Å; R375-T379 VanDerWaalsContact O-CB 3.29Å; R375-T379 WeakPolarHBondContact O-CB 3.49Å; R375-T379 PolarHBondContact O-N 3Å; R375-T379 PolarHBondContact O-OG1 3.39Å
376	I	88.1	Confident	75.9	Confident	1 Å²	1	63.3 Å²	63.3	1%	0.005	38%	0.376	C	S	.	.	H	α-helix	trans	-62.3	-48.2	174	-67.3	170.5	0	0	0	109.8	Y372 D373 D374 G378 T379 L380 I430 L460 K483 V486	Y372-I376 WeakPolarHBondContact O-CG1 3.38Å; Y372-I376 PolarHBondContact O-N 3.45Å; D373-I376 WeakPolarHBondContact O-CB 3.36Å; D373-I376 PolarHBondContact O-N 3.44Å; D373-I376 VanDerWaalsContact O-N 3.17Å; D374-I376 VanDerWaalsContact C-N 3.3Å; D374-I376 PolarHBondContact O-N 2.82Å; I376-G378 PolarHBondContact O-N 2.92Å; I376-T379 PolarHBondContact O-N 3.37Å; I376-L380 HydrophobicContact CG2-CD1 3.54Å; I376-L380 HydrophobicContact CG2-CG 4.15Å; I376-L380 WeakPolarHBondContact O-CB 3.39Å; I376-L380 VanDerWaalsContact O-CG 3.23Å; I376-L380 WeakPolarHBondContact O-CG 3.4Å; I376-L380 PolarHBondContact O-N 3.04Å; I376-I430 HydrophobicContact CD1-CG2 4.41Å; I376-I430 HydrophobicContact CG2-CD1 3.99Å; I376-L460 HydrophobicContact CG2-CD1 4.43Å; I376-K483 HydrophobicContact CD1-CB 4.29Å; I376-K483 HydrophobicContact CD1-CD 4.07Å; I376-K483 HydrophobicContact CD1-CG 4.08Å; I376-V486 HydrophobicContact CB-CG2 4.41Å; I376-V486 HydrophobicContact CG1-CB 4.22Å; I376-V486 HydrophobicContact CG1-CG1 4.17Å; I376-V486 HydrophobicContact CG1-CG2 4.09Å; I376-V486 HydrophobicContact CG2-CG2 4.23Å
377	I	89.7	Confident	78.3	Confident	33 Å²	33	68.8 Å²	68.8	17%	0.169	39%	0.389	C	S	.	.	H	α-helix	trans	-57.4	-51.5	177.8	-63.9	166.9	0	0	0	110.7	D373 D374 T379 L380 K381 F395 W408	D373-I377 WeakPolarHBondContact O-CG1 3.39Å; D373-I377 PolarHBondContact O-N 2.96Å; D374-I377 PolarHBondContact O-N 3.28Å; I377-T379 PolarHBondContact O-N 2.98Å; I377-L380 PolarHBondContact O-N 3.43Å; I377-K381 HydrophobicContact CG2-CD 3.99Å; I377-K381 HydrophobicContact CG2-CG 4.43Å; I377-K381 WeakPolarHBondContact O-CB 3.41Å; I377-K381 WeakPolarHBondContact O-CG 3.47Å; I377-K381 PolarHBondContact O-N 2.97Å; I377-F395 HydrophobicContact CB-CE2 4.45Å; I377-F395 HydrophobicContact CB-CZ 4.42Å; I377-F395 HydrophobicContact CG1-CD1 3.87Å; I377-F395 HydrophobicContact CG1-CE1 3.9Å; I377-F395 HydrophobicContact CG1-CG 4.17Å; I377-F395 HydrophobicContact CG1-CZ 4.24Å; I377-F395 HydrophobicContact CG2-CD2 3.91Å; I377-F395 HydrophobicContact CG2-CE2 4.04Å; I377-F395 HydrophobicContact CG2-CG 4.25Å; I377-F395 HydrophobicContact CG2-CZ 4.5Å; I377-W408 HydrophobicContact CD1-CH2 3.97Å; I377-W408 HydrophobicContact CG1-CH2 3.96Å
378	G	88.4	Confident	80.7	Confident	43 Å²	43	66.8 Å²	66.8	44%	0.443	38%	0.378	S	S	.	.	H	α-helix	trans	-59.7	-45.9	-179.4	0	0	0	0	0	112.7	D374 I376 A382	D374-G378 PolarHBondContact O-N 3.4Å; I376-G378 PolarHBondContact O-N 2.92Å; G378-A382 WeakPolarHBondContact O-CB 3.31Å; G378-A382 PolarHBondContact O-N 2.94Å
379	T	91.4	Very high	83.2	Confident	28 Å²	28	64.7 Å²	64.7	17%	0.172	36%	0.361	C	S	.	.	H	α-helix	trans	-63.4	-47.3	179.2	-56.6	0	0	0	0	111.7	R375 I376 I377 A382 V383 V486 T487	R375-T379 VanDerWaalsContact O-CB 3.29Å; R375-T379 WeakPolarHBondContact O-CB 3.49Å; R375-T379 PolarHBondContact O-N 3Å; R375-T379 PolarHBondContact O-OG1 3.39Å; I376-T379 PolarHBondContact O-N 3.37Å; I377-T379 PolarHBondContact O-N 2.98Å; T379-A382 PolarHBondContact O-N 3.36Å; T379-V383 WeakPolarHBondContact O-CG2 3.18Å; T379-V383 PolarHBondContact O-N 3.4Å; T379-V486 HydrophobicContact CG2-CG1 4.4Å; T379-V486 HydrophobicContact CG2-CG2 4.27Å; T379-T487 HydrophobicContact CG2-CG2 4.1Å
380	L	93.4	Very high	85.7	Confident	2 Å²	2	67.2 Å²	67.2	1%	0.01	37%	0.368	C	S	.	.	H	α-helix	trans	-70.7	-35.9	-176.5	-65.5	178.7	0	0	0	112.3	F338 I376 I377 V383 Q384 V393 F395 L428 V486 L489	F338-L380 HydrophobicContact CE2-CD2 3.88Å; F338-L380 HydrophobicContact CZ-CD2 3.89Å; I376-L380 HydrophobicContact CG2-CD1 3.54Å; I376-L380 HydrophobicContact CG2-CG 4.15Å; I376-L380 WeakPolarHBondContact O-CB 3.39Å; I376-L380 VanDerWaalsContact O-CG 3.23Å; I376-L380 WeakPolarHBondContact O-CG 3.4Å; I376-L380 PolarHBondContact O-N 3.04Å; I377-L380 PolarHBondContact O-N 3.43Å; L380-V383 PolarHBondContact O-N 2.94Å; L380-Q384 PolarHBondContact O-N 3.06Å; L380-V393 HydrophobicContact CB-CG1 4.23Å; L380-V393 HydrophobicContact CB-CG2 4.17Å; L380-F395 HydrophobicContact CB-CE2 4.49Å; L380-F395 HydrophobicContact CB-CZ 4.06Å; L380-F395 HydrophobicContact CD1-CZ 3.97Å; L380-L428 HydrophobicContact CD1-CD2 3.52Å; L380-L428 HydrophobicContact CD2-CD2 4.46Å; L380-V486 HydrophobicContact CD2-CG2 4.29Å; L380-V486 HydrophobicContact CG-CG2 4.42Å; L380-L489 HydrophobicContact CD2-CD2 4.15Å
381	K	93.3	Very high	88	Confident	103 Å²	103	62.1 Å²	62.1	45%	0.448	33%	0.325	S	S	.	.	H	α-helix	trans	-63.8	-45.2	171.3	-75.1	-176.8	178.1	178.7	0	111.5	I377 V383 Q384 D385 F395	I377-K381 HydrophobicContact CG2-CD 3.99Å; I377-K381 HydrophobicContact CG2-CG 4.43Å; I377-K381 WeakPolarHBondContact O-CB 3.41Å; I377-K381 WeakPolarHBondContact O-CG 3.47Å; I377-K381 PolarHBondContact O-N 2.97Å; K381-V383 VanDerWaalsContact C-N 3.27Å; K381-V383 PolarHBondContact O-N 2.89Å; K381-Q384 WeakPolarHBondContact O-CB 3.39Å; K381-Q384 PolarHBondContact O-N 2.93Å; K381-D385 VanDerWaalsContact O-CG 3.26Å; K381-D385 PolarHBondContact O-N 3.45Å; K381-F395 HydrophobicContact CG-CD2 4.34Å; K381-F395 HydrophobicContact CG-CE2 4.04Å
382	A	92.3	Very high	89.5	Confident	60 Å²	60	62.1 Å²	62.1	50%	0.496	33%	0.325	S	S	.	.	H	α-helix	trans	-58.9	-38	176	0	0	0	0	0	112.5	G378 T379 D385 S386	G378-A382 WeakPolarHBondContact O-CB 3.31Å; G378-A382 PolarHBondContact O-N 2.94Å; T379-A382 PolarHBondContact O-N 3.36Å; A382-D385 PolarHBondContact O-N 2.92Å; A382-S386 WeakPolarHBondContact O-CB 3.48Å; A382-S386 PolarHBondContact O-N 3.14Å
383	V	93.3	Very high	90.6	Very high	23 Å²	23	57.3 Å²	57.3	14%	0.139	31%	0.307	C	S	.	.	H	α-helix	trans	-64.8	-44	173.4	172.4	0	0	0	0	111.2	F338 T379 L380 K381 S386 V391 H490	F338-V383 HydrophobicContact CE1-CG1 4.16Å; F338-V383 HydrophobicContact CZ-CG1 4.04Å; T379-V383 WeakPolarHBondContact O-CG2 3.18Å; T379-V383 PolarHBondContact O-N 3.4Å; L380-V383 PolarHBondContact O-N 2.94Å; K381-V383 VanDerWaalsContact C-N 3.27Å; K381-V383 PolarHBondContact O-N 2.89Å; V383-S386 WeakPolarHBondContact O-CB 3.25Å; V383-S386 PolarHBondContact O-N 3.14Å; V383-S386 PolarHBondContact O-OG 2.98Å; V383-V391 HydrophobicContact CG1-CG2 4.15Å; V383-H490 HydrophobicContact CG1-CB 4.06Å; V383-H490 HydrophobicContact CG2-CB 4.04Å
384	Q	93.3	Very high	91.3	Very high	54 Å²	54	59.7 Å²	59.7	25%	0.252	32%	0.318	S	S	.	.	H	α-helix	trans	-62	-42.5	176.4	177.3	170.6	-18.9	0	0	112.3	L380 K381 S386 H387 V391 V393	L380-Q384 PolarHBondContact O-N 3.06Å; K381-Q384 WeakPolarHBondContact O-CB 3.39Å; K381-Q384 PolarHBondContact O-N 2.93Å; Q384-S386 VanDerWaalsContact C-N 3.3Å; Q384-S386 PolarHBondContact O-N 2.79Å; Q384-H387 PolarHBondContact O-N 3.28Å; Q384-H387 PolarHBondContact O-ND1 3.34Å; Q384-V391 HydrophobicContact CB-CB 4.47Å; Q384-V391 HydrophobicContact CB-CG1 4.36Å; Q384-V393 HydrophobicContact CB-CG2 4.3Å; Q384-V393 PolarHBondContact OE1-O 3.04Å
385	D	93.4	Very high	91.7	Very high	107 Å²	107	56.5 Å²	56.5	57%	0.572	30%	0.301	S	S	*	.	H	α-helix	trans	-73.2	-21.7	-179.5	-63.9	-22.6	0	0	0	112.8	K381 A382 H387	K381-D385 VanDerWaalsContact O-CG 3.26Å; K381-D385 PolarHBondContact O-N 3.45Å; A382-D385 PolarHBondContact O-N 2.92Å; D385-H387 PolarHBondContact O-CD2 3.37Å; D385-H387 PolarHBondContact O-N 3.24Å
386	S	91.7	Very high	91.9	Very high	55 Å²	55	56.3 Å²	56.3	39%	0.385	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-22	174.9	79	0	0	0	0	113.4	A382 V383 Q384 L388	A382-S386 WeakPolarHBondContact O-CB 3.48Å; A382-S386 PolarHBondContact O-N 3.14Å; V383-S386 WeakPolarHBondContact O-CB 3.25Å; V383-S386 PolarHBondContact O-N 3.14Å; V383-S386 PolarHBondContact O-OG 2.98Å; Q384-S386 VanDerWaalsContact C-N 3.3Å; Q384-S386 PolarHBondContact O-N 2.79Å; S386-L388 PolarHBondContact O-N 3.41Å; S386-L388 PolarHBondContact OG-N 3.29Å
387	H	88.6	Confident	91.8	Very high	158 Å²	158	57.1 Å²	57.1	73%	0.731	32%	0.316	S	S	*	.			trans	52.9	17.8	-177	-59.4	-59	0	0	0	115.6	Q384 D385	Q384-H387 PolarHBondContact O-N 3.28Å; Q384-H387 PolarHBondContact O-ND1 3.34Å; D385-H387 PolarHBondContact O-CD2 3.37Å; D385-H387 PolarHBondContact O-N 3.24Å
388	L	88.8	Confident	91.1	Very high	120 Å²	120	64.6 Å²	64.6	63%	0.628	35%	0.347	S	S	*	.	S	Bend	trans	-67.1	-37.3	177.3	-71	175.4	0	0	0	112.6	S386	S386-L388 PolarHBondContact O-N 3.41Å; S386-L388 PolarHBondContact OG-N 3.29Å
389	D	92.6	Very high	90.9	Very high	48 Å²	48	68.1 Å²	68.1	26%	0.257	36%	0.356	S	S	.	.	S	Bend	trans	-134.4	158.5	169.2	-62.2	-70.3	0	0	0	108.9	L337 V391 H490 R494	L337-D389 HydrophobicContact CB-CB 4.08Å; L337-D389 HydrophobicContact CD2-CB 4.12Å; D389-V391 PolarHBondContact O-N 2.97Å; D389-V391 VanDerWaalsContact O-N 3.17Å; D389-H490 IonicContact OD2-CD2 3.76Å; D389-H490 IonicContact OD2-CE1 3.37Å; D389-H490 PolarHBondContact OD2-CE1 3.06Å; D389-H490 IonicContact OD2-NE2 3.46Å; D389-H490 PolarHBondContact OD2-NE2 3.28Å; D389-R494 IonicContact OD1-NH1 2.87Å; D389-R494 PolarHBondContact OD1-NH1 3.03Å; D389-R494 VanDerWaalsContact OD1-NH1 3.15Å; D389-R494 VanDerWaalsContact OD2-CD 3.32Å; D389-R494 WeakPolarHBondContact OD2-CD 3.3Å; D389-R494 IonicContact OD2-CZ 3.99Å; D389-R494 IonicContact OD2-NE 2.94Å; D389-R494 IonicContact OD2-NH1 3.96Å; D389-R494 PolarHBondContact OD2-NH1 3.05Å
390	Q	95.4	Very high	90.5	Very high	112 Å²	112	69.9 Å²	69.9	52%	0.523	37%	0.368	S	S	.	.			trans	-73.4	110.2	171.5	-65	-177	36.1	0	0	109.2	K335 Y336 L337	K335-Q390 VanDerWaalsContact CG-OE1 3.25Å; K335-Q390 WeakPolarHBondContact O-CB 3.08Å; Y336-Q390 CarbonylContact C-O 3.59Å; Y336-Q390 VanDerWaalsContact CA-O 3.23Å; Y336-Q390 WeakPolarHBondContact CA-O 3.22Å; Y336-Q390 HydrophobicContact CD1-CB 4.04Å; Y336-Q390 HydrophobicContact CE1-CB 4.47Å; L337-Q390 PolarHBondContact N-O 2.94Å
391	V	96.4	Very high	90.2	Very high	10 Å²	10	72.8 Å²	72.8	6%	0.061	38%	0.381	C	S	.	.			trans	-120.9	142.3	174.9	170.9	0	0	0	0	108	L337 F338 V383 Q384 D389 V393	L337-V391 HydrophobicContact CB-CG2 4.31Å; F338-V391 HydrophobicContact CD1-CG1 4.46Å; F338-V391 HydrophobicContact CD1-CG2 3.98Å; F338-V391 HydrophobicContact CD2-CG1 3.87Å; F338-V391 HydrophobicContact CE1-CG1 4.02Å; F338-V391 HydrophobicContact CE1-CG2 3.65Å; F338-V391 HydrophobicContact CE2-CG1 3.33Å; F338-V391 HydrophobicContact CE2-CG2 4.48Å; F338-V391 HydrophobicContact CG-CG1 4.4Å; F338-V391 HydrophobicContact CZ-CB 4.34Å; F338-V391 HydrophobicContact CZ-CG1 3.43Å; F338-V391 VanDerWaalsContact CZ-CG1 3.43Å; F338-V391 HydrophobicContact CZ-CG2 3.93Å; V383-V391 HydrophobicContact CG1-CG2 4.15Å; Q384-V391 HydrophobicContact CB-CB 4.47Å; Q384-V391 HydrophobicContact CB-CG1 4.36Å; D389-V391 PolarHBondContact O-N 2.97Å; D389-V391 VanDerWaalsContact O-N 3.17Å; V391-V393 HydrophobicContact CG1-CG1 3.99Å
392	L	95.6	Very high	89.8	Confident	44 Å²	44	71.7 Å²	71.7	23%	0.23	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	106.9	175.1	175.7	69.7	0	0	0	109.3	Y336 F338 T339 F340 V420	Y336-L392 HydrophobicContact CD1-CB 3.96Å; Y336-L392 HydrophobicContact CE1-CB 3.94Å; F338-L392 PolarHBondContact O-N 3.47Å; T339-L392 CarbonylContact C-O 3.58Å; T339-L392 WeakPolarHBondContact CA-O 3.12Å; T339-L392 HydrophobicContact CG2-CB 3.86Å; F340-L392 PolarHBondContact N-O 2.88Å; L392-V420 HydrophobicContact CD2-CG1 3.66Å
393	V	94.8	Very high	89.4	Confident	12 Å²	12	69.4 Å²	69.4	7%	0.073	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	125.7	171.2	-62.6	0	0	0	0	110.8	F338 F340 L380 Q384 V391 F395	F338-V393 HydrophobicContact CD2-CG1 4.4Å; F338-V393 HydrophobicContact CE2-CG1 3.84Å; F340-V393 HydrophobicContact CB-CB 4.42Å; F340-V393 HydrophobicContact CB-CG1 3.95Å; F340-V393 CarbonylContact O-C 3.53Å; F340-V393 VanDerWaalsContact O-CA 3.32Å; F340-V393 WeakPolarHBondContact O-CA 3.27Å; L380-V393 HydrophobicContact CB-CG1 4.23Å; L380-V393 HydrophobicContact CB-CG2 4.17Å; Q384-V393 HydrophobicContact CB-CG2 4.3Å; Q384-V393 PolarHBondContact OE1-O 3.04Å; V391-V393 HydrophobicContact CG1-CG1 3.99Å; V393-F395 HydrophobicContact CB-CE2 3.83Å; V393-F395 HydrophobicContact CB-CZ 4.05Å; V393-F395 HydrophobicContact CG2-CE2 3.67Å; V393-F395 HydrophobicContact CG2-CZ 4.24Å
394	E	92.3	Very high	88.8	Confident	55 Å²	55	70 Å²	70	26%	0.257	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	118	179.2	-173.2	176.3	-168.7	0	0	108.9	F340 Q341 G342 T396	F340-E394 PolarHBondContact O-N 2.94Å; Q341-E394 CarbonylContact C-O 3.57Å; Q341-E394 WeakPolarHBondContact CA-O 3.39Å; Q341-E394 HydrophobicContact CB-CB 4.47Å; Q341-E394 HydrophobicContact CG-CB 4.11Å; Q341-E394 PolarHBondContact NE2-OE2 3.27Å; G342-E394 PolarHBondContact N-O 3.33Å; E394-T396 WeakPolarHBondContact CG-O 3.42Å
395	F	90.8	Very high	87.9	Confident	17 Å²	17	72 Å²	72	8%	0.075	38%	0.384	C	S	.	.	S	Bend	trans	-104.9	1.5	-176.9	-62.8	-74.7	0	0	0	113.5	F340 G342 I377 L380 K381 V393 W408	F340-F395 AromaticContact CD1-CD1 3.92Å; F340-F395 HydrophobicContact CD1-CD1 3.92Å; F340-F395 AromaticContact CD1-CE1 3.54Å; F340-F395 HydrophobicContact CD1-CE1 3.54Å; F340-F395 HydrophobicContact CD1-CZ 4.21Å; F340-F395 AromaticContact CE1-CD1 3.67Å; F340-F395 HydrophobicContact CE1-CD1 3.67Å; F340-F395 AromaticContact CE1-CE1 3.58Å; F340-F395 HydrophobicContact CE1-CE1 3.58Å; G342-F395 CarbonylContact O-C 3.57Å; G342-F395 WeakPolarHBondContact O-CA 3.23Å; I377-F395 HydrophobicContact CB-CE2 4.45Å; I377-F395 HydrophobicContact CB-CZ 4.42Å; I377-F395 HydrophobicContact CG1-CD1 3.87Å; I377-F395 HydrophobicContact CG1-CE1 3.9Å; I377-F395 HydrophobicContact CG1-CG 4.17Å; I377-F395 HydrophobicContact CG1-CZ 4.24Å; I377-F395 HydrophobicContact CG2-CD2 3.91Å; I377-F395 HydrophobicContact CG2-CE2 4.04Å; I377-F395 HydrophobicContact CG2-CG 4.25Å; I377-F395 HydrophobicContact CG2-CZ 4.5Å; L380-F395 HydrophobicContact CB-CE2 4.49Å; L380-F395 HydrophobicContact CB-CZ 4.06Å; L380-F395 HydrophobicContact CD1-CZ 3.97Å; K381-F395 HydrophobicContact CG-CD2 4.34Å; K381-F395 HydrophobicContact CG-CE2 4.04Å; V393-F395 HydrophobicContact CB-CE2 3.83Å; V393-F395 HydrophobicContact CB-CZ 4.05Å; V393-F395 HydrophobicContact CG2-CE2 3.67Å; V393-F395 HydrophobicContact CG2-CZ 4.24Å; F395-W408 AromaticContact CD1-CH2 3.66Å; F395-W408 HydrophobicContact CD1-CH2 3.66Å; F395-W408 AromaticContact CD1-CZ3 3.58Å; F395-W408 HydrophobicContact CD1-CZ3 3.58Å; F395-W408 HydrophobicContact CE1-CH2 4.07Å; F395-W408 HydrophobicContact CE1-CZ3 4.31Å
396	T	87.2	Confident	87.2	Confident	98 Å²	98	68.9 Å²	68.9	60%	0.601	37%	0.369	S	S	*	.	S	Bend	trans	-137.2	116.1	-177.7	49.6	0	0	0	0	108.2	E394	E394-T396 WeakPolarHBondContact CG-O 3.42Å
397	C	84.8	Confident	86.8	Confident	17 Å²	17	66.4 Å²	66.4	12%	0.115	35%	0.352	C	S	.	.			trans	-93.5	150.2	-171.9	-58.4	0	0	0	0	111.7	E343 N399 P400 C411	E343-C397 HydrophobicContact CB-CB 4.22Å; E343-C397 VanDerWaalsContact CB-SG 3.54Å; E343-C397 WeakPolarHBondContact OE2-CB 3.43Å; E343-C397 PolarHBondContact OE2-N 3.28Å; C397-N399 PolarHBondContact O-N 2.72Å; C397-P400 HydrophobicContact CB-CB 4.21Å; C397-C411 HydrophobicContact CB-CB 3.64Å; C397-C411 WeakPolarHBondContact CB-SG 3.47Å; C397-C411 WeakPolarHBondContact SG-CA 3.34Å; C397-C411 WeakPolarHBondContact SG-CB 3.33Å; C397-C411 CovalentContact SG-SG 2.03Å; C397-C411 PolarHBondContact SG-SG 2.89Å
398	K	75.8	Confident	86.7	Confident	190 Å²	190	59.3 Å²	59.3	83%	0.826	32%	0.318	S	S	*	.	S	Bend	trans	-73.8	-6.4	172	-74.1	-174	179.8	176.2	0	115.3
399	N	83.1	Confident	86.7	Confident	118 Å²	118	53.7 Å²	53.7	63%	0.631	29%	0.289	S	S	*	.	S	Bend	trans	-172.3	89.5	172.7	-82.6	-39.9	0	0	0	107.3	C397 G412	C397-N399 PolarHBondContact O-N 2.72Å; N399-G412 PolarHBondContact O-N 3.46Å
400	P	84.6	Confident	86.6	Confident	64 Å²	64	51.6 Å²	51.6	42%	0.416	28%	0.278	S	S	.	.	B	Isolated β-bridge	trans	-71.3	131.9	-179.1	27.8	-33.4	0	0	0	111	E343 C397 A409	E343-P400 HydrophobicContact CB-CB 4.33Å; E343-P400 WeakPolarHBondContact OE2-CB 3.34Å; E343-P400 WeakPolarHBondContact OE2-CG 3.48Å; C397-P400 HydrophobicContact CB-CB 4.21Å; P400-A409 HydrophobicContact CB-CB 4.08Å
401	K	86.3	Confident	86.4	Confident	64 Å²	64	46.6 Å²	46.6	28%	0.278	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-74.5	149.5	170.1	-60.7	-64.8	-176.4	177.5	0	109.9	S403 A409 L410 G412 E413	K401-S403 PolarHBondContact O-N 2.88Å; K401-A409 WeakPolarHBondContact O-CB 3.33Å; K401-L410 HydrophobicContact CB-CB 4.29Å; K401-L410 HydrophobicContact CG-CB 4.29Å; K401-L410 PolarHBondContact N-O 2.82Å; K401-G412 WeakPolarHBondContact CE-O 3.32Å; K401-E413 IonicContact NZ-OE1 3.89Å; K401-E413 PolarHBondContact NZ-OE1 3.05Å; K401-E413 IonicContact NZ-OE2 3.15Å; K401-E413 PolarHBondContact NZ-OE2 2.49Å
402	P	84.5	Confident	86.1	Confident	80 Å²	80	47 Å²	47	52%	0.519	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-53.5	139.2	173.2	-24.9	33.8	0	0	0	111.9	S277 M278	S277-P402 PolarHBondContact OG-O 3.16Å; M278-P402 HydrophobicContact CB-CB 3.98Å; M278-P402 WeakPolarHBondContact CB-O 3.37Å; M278-P402 HydrophobicContact CE-CB 3.8Å; M278-P402 PolarHBondContact N-O 2.95Å; M278-P402 HydrophobicContact SD-CB 3.81Å
403	S	83.9	Confident	85.8	Confident	11 Å²	11	49.5 Å²	49.5	8%	0.077	27%	0.272	C	S	.	.			trans	-141.3	166.7	176.5	62.4	0	0	0	0	111.2	V345 K401 E407	V345-S403 WeakPolarHBondContact CG2-OG 3.39Å; K401-S403 PolarHBondContact O-N 2.88Å; S403-E407 PolarHBondContact OG-O 3.43Å
404	L	80.4	Confident	85.5	Confident	35 Å²	35	51.4 Å²	51.4	18%	0.183	28%	0.278	C	S	.	.			trans	-69	158.3	174.8	-65.6	170.9	0	0	0	111.2	M278 T297 E407 L437	M278-L404 HydrophobicContact CG-CD2 4.41Å; T297-L404 HydrophobicContact CG2-CD1 3.83Å; L404-E407 HydrophobicContact CB-CB 4.21Å; L404-E407 WeakPolarHBondContact CB-OE2 3.44Å; L404-E407 PolarHBondContact N-OE2 3.2Å; L404-E407 WeakPolarHBondContact O-CB 3.15Å; L404-E407 PolarHBondContact O-N 3.35Å; L404-E407 VanDerWaalsContact O-N 3.14Å; L404-L437 HydrophobicContact CD1-CD1 4.36Å; L404-L437 HydrophobicContact CD1-CD2 4.16Å
405	P	76	Confident	85.3	Confident	97 Å²	97	54.2 Å²	54.2	63%	0.63	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	141.8	171.3	-23.3	33.9	0	0	0	111.1	E407	P405-E407 PolarHBondContact O-N 2.94Å; P405-E407 VanDerWaalsContact O-N 3.12Å
406	T	77.7	Confident	85.4	Confident	41 Å²	41	58.3 Å²	58.3	25%	0.252	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.9	1.3	-175.7	78.7	0	0	0	0	116.2	P432 G433 D434	T406-P432 WeakPolarHBondContact O-CA 3.35Å; T406-G433 PolarHBondContact O-N 2.74Å; T406-D434 HydrophobicContact CG2-CB 4.29Å; T406-D434 WeakPolarHBondContact OG1-CB 3.36Å; T406-D434 PolarHBondContact OG1-N 3.3Å
407	E	82.7	Confident	85.6	Confident	4 Å²	4	54.4 Å²	54.4	2%	0.019	29%	0.288	C	S	.	.	S	Bend	trans	-96.3	146.8	175.2	-171.1	174.9	-158.5	0	0	111.5	S403 L404 P405 A409 P432 S440 G442 C443	S403-E407 PolarHBondContact OG-O 3.43Å; L404-E407 HydrophobicContact CB-CB 4.21Å; L404-E407 WeakPolarHBondContact CB-OE2 3.44Å; L404-E407 PolarHBondContact N-OE2 3.2Å; L404-E407 WeakPolarHBondContact O-CB 3.15Å; L404-E407 PolarHBondContact O-N 3.35Å; L404-E407 VanDerWaalsContact O-N 3.14Å; P405-E407 PolarHBondContact O-N 2.94Å; P405-E407 VanDerWaalsContact O-N 3.12Å; E407-A409 PolarHBondContact O-N 3.46Å; E407-P432 HydrophobicContact CG-CG 4.46Å; E407-S440 WeakPolarHBondContact OE1-CB 3.42Å; E407-S440 PolarHBondContact OE1-OG 3.44Å; E407-G442 WeakPolarHBondContact OE1-CA 3.4Å; E407-G442 PolarHBondContact OE1-N 3.34Å; E407-C443 PolarHBondContact OE1-N 2.66Å
408	W	87.1	Confident	86	Confident	8 Å²	8	54.3 Å²	54.3	3%	0.03	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	110	176.9	-68.1	89.2	0	0	0	111.8	F340 R344 D373 I377 F395 I430 R446	F340-W408 HydrophobicContact CE1-CD2 4.22Å; F340-W408 AromaticContact CE1-CE3 3.85Å; F340-W408 HydrophobicContact CE1-CE3 3.85Å; F340-W408 HydrophobicContact CE1-CZ3 4.1Å; F340-W408 HydrophobicContact CZ-CB 4.11Å; F340-W408 AromaticContact CZ-CD2 3.71Å; F340-W408 HydrophobicContact CZ-CD2 3.71Å; F340-W408 AromaticContact CZ-CE3 3.76Å; F340-W408 HydrophobicContact CZ-CE3 3.76Å; F340-W408 AromaticContact CZ-CG 3.89Å; F340-W408 HydrophobicContact CZ-CG 3.89Å; F340-W408 HydrophobicContact CZ-CZ3 4.41Å; R344-W408 HydrophobicContact CB-CZ3 4.4Å; D373-W408 HydrophobicContact CB-CZ2 4.22Å; I377-W408 HydrophobicContact CD1-CH2 3.97Å; I377-W408 HydrophobicContact CG1-CH2 3.96Å; F395-W408 AromaticContact CD1-CH2 3.66Å; F395-W408 HydrophobicContact CD1-CH2 3.66Å; F395-W408 AromaticContact CD1-CZ3 3.58Å; F395-W408 HydrophobicContact CD1-CZ3 3.58Å; F395-W408 HydrophobicContact CE1-CH2 4.07Å; F395-W408 HydrophobicContact CE1-CZ3 4.31Å; W408-I430 HydrophobicContact CZ2-CD1 4.37Å; W408-R446 PolarHBondContact O-NH2 2.86Å
409	A	89.4	Confident	86.8	Confident	3 Å²	3	50.7 Å²	50.7	3%	0.025	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.5	144.2	177.3	0	0	0	0	0	112.1	G342 E343 P400 K401 E407 R446	G342-A409 WeakPolarHBondContact CA-O 3.33Å; E343-A409 HydrophobicContact CB-CB 4.48Å; E343-A409 PolarHBondContact N-O 3.36Å; E343-A409 VanDerWaalsContact O-CB 3.28Å; E343-A409 WeakPolarHBondContact O-CB 3.4Å; E343-A409 PolarHBondContact O-N 3Å; P400-A409 HydrophobicContact CB-CB 4.08Å; K401-A409 WeakPolarHBondContact O-CB 3.33Å; E407-A409 PolarHBondContact O-N 3.46Å; A409-R446 PolarHBondContact O-NH2 3.02Å
410	L	90.4	Very high	87.4	Confident	3 Å²	3	46.5 Å²	46.5	2%	0.016	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	134.3	173.2	-62.5	178.5	0	0	0	109.7	K401 M445 R446	K401-L410 HydrophobicContact CB-CB 4.29Å; K401-L410 HydrophobicContact CG-CB 4.29Å; K401-L410 PolarHBondContact N-O 2.82Å; L410-M445 HydrophobicContact CD1-CB 4.28Å; L410-M445 HydrophobicContact CD1-CE 4.13Å; L410-M445 HydrophobicContact CD1-SD 3.88Å; L410-R446 HydrophobicContact CD2-CG 3.58Å
411	C	90.7	Very high	87.9	Confident	8 Å²	8	44.3 Å²	44.3	5%	0.054	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-83.6	137.3	173.6	-61	0	0	0	0	111.3	Q341 G342 C397 R417	Q341-C411 HydrophobicContact CB-CB 4.3Å; G342-C411 PolarHBondContact N-SG 3.1Å; G342-C411 VanDerWaalsContact N-SG 3.45Å; C397-C411 HydrophobicContact CB-CB 3.64Å; C397-C411 WeakPolarHBondContact CB-SG 3.47Å; C397-C411 WeakPolarHBondContact SG-CA 3.34Å; C397-C411 WeakPolarHBondContact SG-CB 3.33Å; C397-C411 CovalentContact SG-SG 2.03Å; C397-C411 PolarHBondContact SG-SG 2.89Å; C411-R417 VanDerWaalsContact O-CD 3.32Å; C411-R417 WeakPolarHBondContact O-CD 3.18Å; C411-R417 VanDerWaalsContact O-CG 3.31Å; C411-R417 WeakPolarHBondContact O-CG 3.33Å; C411-R417 PolarHBondContact O-NH1 3.23Å
412	G	89.1	Confident	88.3	Confident	18 Å²	18	44.8 Å²	44.8	19%	0.186	24%	0.238	C	C	.	.	S	Bend	trans	62.5	-161.6	164.8	0	0	0	0	0	114.9	N399 K401 R417	N399-G412 PolarHBondContact O-N 3.46Å; K401-G412 WeakPolarHBondContact CE-O 3.32Å; G412-R417 PolarHBondContact O-NH1 3.41Å
413	E	89.5	Confident	88.9	Confident	97 Å²	97	42.4 Å²	42.4	45%	0.453	22%	0.224	S	C	.	.			trans	-84.5	165.1	173	-60.8	-50.6	141.2	0	0	111.4	K401 E415 D416 R417	K401-E413 IonicContact NZ-OE1 3.89Å; K401-E413 PolarHBondContact NZ-OE1 3.05Å; K401-E413 IonicContact NZ-OE2 3.15Å; K401-E413 PolarHBondContact NZ-OE2 2.49Å; E413-E415 VanDerWaalsContact C-N 3.33Å; E413-E415 PolarHBondContact O-N 3.1Å; E413-D416 PolarHBondContact O-N 2.92Å; E413-R417 PolarHBondContact O-N 3.03Å; E413-R417 PolarHBondContact O-NH1 3.4Å
414	R	88.6	Confident	89.5	Confident	51 Å²	51	41.9 Å²	41.9	19%	0.192	22%	0.221	C	C	.	.	H	α-helix	trans	-62.7	-43.2	-176.1	176.4	175.5	172.4	-99.1	-1.9	111.4	H316 D416 R417 L418 E452	H316-R414 PolarHBondContact CE1-NH2 3.28Å; H316-R414 PolarHBondContact NE2-NH2 3.28Å; R414-D416 VanDerWaalsContact C-N 3.3Å; R414-D416 PolarHBondContact O-N 3.38Å; R414-R417 PolarHBondContact O-N 3.06Å; R414-R417 VanDerWaalsContact O-N 3.15Å; R414-L418 HydrophobicContact CG-CD1 4.08Å; R414-L418 HydrophobicContact CG-CG 4.18Å; R414-L418 WeakPolarHBondContact O-CG 3.45Å; R414-L418 PolarHBondContact O-N 2.96Å; R414-E452 IonicContact CZ-OE2 3.86Å; R414-E452 IonicContact NH2-OE1 2.89Å; R414-E452 PolarHBondContact NH2-OE1 3.19Å; R414-E452 IonicContact NH2-OE2 2.58Å; R414-E452 PolarHBondContact NH2-OE2 2.99Å
415	E	89.3	Confident	90.3	Very high	115 Å²	115	40.3 Å²	40.3	54%	0.537	21%	0.213	S	C	.	.	H	α-helix	trans	-59.2	-43	-176.5	-66.9	65.9	-144.4	0	0	111	E413 R417 L418 E419	E413-E415 VanDerWaalsContact C-N 3.33Å; E413-E415 PolarHBondContact O-N 3.1Å; E415-R417 PolarHBondContact O-N 3.02Å; E415-L418 PolarHBondContact O-N 3.14Å; E415-E419 PolarHBondContact O-N 3.13Å
416	D	91.4	Very high	91.3	Very high	102 Å²	102	35.7 Å²	35.7	55%	0.545	18%	0.183	S	C	.	.	H	α-helix	trans	-61.6	-43.1	177.2	-59.9	-40.6	0	0	0	111.8	E413 R414 E419 V420	E413-D416 PolarHBondContact O-N 2.92Å; R414-D416 VanDerWaalsContact C-N 3.3Å; R414-D416 PolarHBondContact O-N 3.38Å; D416-E419 PolarHBondContact O-N 3.46Å; D416-V420 PolarHBondContact O-N 3.13Å
417	R	92.4	Very high	92.3	Very high	16 Å²	16	34 Å²	34	6%	0.06	17%	0.172	C	C	.	.	H	α-helix	trans	-64.8	-43.3	177.2	-65.3	-166.2	-60.3	-79.8	0.4	111.5	C411 G412 E413 R414 E415 E419 V420 L421 E449	C411-R417 VanDerWaalsContact O-CD 3.32Å; C411-R417 WeakPolarHBondContact O-CD 3.18Å; C411-R417 VanDerWaalsContact O-CG 3.31Å; C411-R417 WeakPolarHBondContact O-CG 3.33Å; C411-R417 PolarHBondContact O-NH1 3.23Å; G412-R417 PolarHBondContact O-NH1 3.41Å; E413-R417 PolarHBondContact O-N 3.03Å; E413-R417 PolarHBondContact O-NH1 3.4Å; R414-R417 PolarHBondContact O-N 3.06Å; R414-R417 VanDerWaalsContact O-N 3.15Å; E415-R417 PolarHBondContact O-N 3.02Å; R417-E419 VanDerWaalsContact C-N 3.3Å; R417-E419 PolarHBondContact O-N 3.06Å; R417-V420 PolarHBondContact O-N 3.02Å; R417-L421 VanDerWaalsContact O-CG 3.3Å; R417-L421 WeakPolarHBondContact O-CG 3.43Å; R417-L421 PolarHBondContact O-N 3.5Å; R417-E449 IonicContact CZ-OE1 3.92Å; R417-E449 IonicContact CZ-OE2 3.34Å; R417-E449 IonicContact NE-OE1 3.62Å; R417-E449 PolarHBondContact NE-OE1 3.32Å; R417-E449 IonicContact NE-OE2 3.51Å; R417-E449 PolarHBondContact NE-OE2 2.97Å; R417-E449 IonicContact NH2-OE1 2.64Å; R417-E449 PolarHBondContact NH2-OE1 3.45Å; R417-E449 IonicContact NH2-OE2 2.85Å
418	L	92.8	Very high	93	Very high	16 Å²	16	34 Å²	34	8%	0.084	17%	0.173	C	C	.	.	H	α-helix	trans	-62.1	-38.1	179.2	-66.8	-177	0	0	0	111.7	R414 E415 V420 L421 K422 E449 V453	R414-L418 HydrophobicContact CG-CD1 4.08Å; R414-L418 HydrophobicContact CG-CG 4.18Å; R414-L418 WeakPolarHBondContact O-CG 3.45Å; R414-L418 PolarHBondContact O-N 2.96Å; E415-L418 PolarHBondContact O-N 3.14Å; L418-V420 VanDerWaalsContact C-N 3.34Å; L418-V420 PolarHBondContact O-N 2.72Å; L418-L421 PolarHBondContact O-N 3.31Å; L418-K422 WeakPolarHBondContact O-CB 3.34Å; L418-K422 VanDerWaalsContact O-CG 3.22Å; L418-K422 WeakPolarHBondContact O-CG 3.32Å; L418-K422 PolarHBondContact O-N 3.42Å; L418-E449 HydrophobicContact CD2-CB 3.87Å; L418-E449 HydrophobicContact CD2-CG 3.99Å; L418-V453 HydrophobicContact CB-CG1 4.36Å; L418-V453 HydrophobicContact CD2-CG1 3.8Å
419	E	93.5	Very high	93.3	Very high	114 Å²	114	33.7 Å²	33.7	53%	0.533	17%	0.172	S	C	.	.	H	α-helix	trans	-61	-41.3	175.9	-73.4	-54.8	130.1	0	0	112.6	E415 D416 R417 K422	E415-E419 PolarHBondContact O-N 3.13Å; D416-E419 PolarHBondContact O-N 3.46Å; R417-E419 VanDerWaalsContact C-N 3.3Å; R417-E419 PolarHBondContact O-N 3.06Å; E419-K422 IonicContact OE1-NZ 3.49Å; E419-K422 PolarHBondContact OE1-NZ 3.37Å
420	V	94.9	Very high	93.5	Very high	29 Å²	29	33.7 Å²	33.7	18%	0.176	17%	0.171	C	C	.	.	H	α-helix	trans	-65.8	-46.6	174.5	176.7	0	0	0	0	111	T339 L392 D416 R417 L418 K422 A423 S424	T339-V420 HydrophobicContact CG2-CG1 4.16Å; L392-V420 HydrophobicContact CD2-CG1 3.66Å; D416-V420 PolarHBondContact O-N 3.13Å; R417-V420 PolarHBondContact O-N 3.02Å; L418-V420 VanDerWaalsContact C-N 3.34Å; L418-V420 PolarHBondContact O-N 2.72Å; V420-K422 VanDerWaalsContact C-N 3.34Å; V420-K422 PolarHBondContact O-N 3.27Å; V420-A423 PolarHBondContact O-N 2.95Å; V420-A423 VanDerWaalsContact O-N 3.1Å; V420-S424 PolarHBondContact O-N 3.38Å; V420-S424 PolarHBondContact O-OG 2.91Å
421	L	95.4	Very high	93.4	Very high	19 Å²	19	33.5 Å²	33.5	10%	0.099	17%	0.17	C	C	.	.	H	α-helix	trans	-66.8	-33.4	-177.9	-66.2	174	0	0	0	112.6	R334 R417 L418 A423 S424 A427 E449 V453	R334-L421 PolarHBondContact NH1-O 3.48Å; R417-L421 VanDerWaalsContact O-CG 3.3Å; R417-L421 WeakPolarHBondContact O-CG 3.43Å; R417-L421 PolarHBondContact O-N 3.5Å; L418-L421 PolarHBondContact O-N 3.31Å; L421-A423 PolarHBondContact O-N 3.5Å; L421-S424 WeakPolarHBondContact O-CB 3.27Å; L421-S424 PolarHBondContact O-N 2.81Å; L421-A427 HydrophobicContact CD2-CB 3.67Å; L421-E449 HydrophobicContact CD1-CB 3.81Å; L421-V453 HydrophobicContact CB-CG2 3.5Å
422	K	94.9	Very high	93	Very high	74 Å²	74	33.2 Å²	33.2	32%	0.322	17%	0.168	S	C	.	.	H	α-helix	trans	-57.6	-30.9	171.7	-78.3	171.8	-170.8	173.7	0	112.4	P327 R334 L418 E419 V420 V453	P327-K422 HydrophobicContact CG-CG 4.39Å; R334-K422 WeakPolarHBondContact CD-O 3.35Å; R334-K422 PolarHBondContact NE-O 2.49Å; R334-K422 PolarHBondContact NH1-O 3.2Å; L418-K422 WeakPolarHBondContact O-CB 3.34Å; L418-K422 VanDerWaalsContact O-CG 3.22Å; L418-K422 WeakPolarHBondContact O-CG 3.32Å; L418-K422 PolarHBondContact O-N 3.42Å; E419-K422 IonicContact OE1-NZ 3.49Å; E419-K422 PolarHBondContact OE1-NZ 3.37Å; V420-K422 VanDerWaalsContact C-N 3.34Å; V420-K422 PolarHBondContact O-N 3.27Å; K422-V453 HydrophobicContact CG-CB 4.03Å; K422-V453 HydrophobicContact CG-CG1 3.9Å
423	A	95.9	Very high	92.2	Very high	29 Å²	29	34.3 Å²	34.3	24%	0.24	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-0	176.4	0	0	0	0	0	114	R334 K335 Y336 V420 L421	R334-A423 VanDerWaalsContact CB-O 3.25Å; R334-A423 WeakPolarHBondContact CB-O 3.19Å; K335-A423 HydrophobicContact CB-CB 4.42Å; K335-A423 PolarHBondContact N-O 3.31Å; Y336-A423 HydrophobicContact CD2-CB 3.89Å; Y336-A423 HydrophobicContact CE2-CB 4.06Å; Y336-A423 PolarHBondContact N-O 2.96Å; V420-A423 PolarHBondContact O-N 2.95Å; V420-A423 VanDerWaalsContact O-N 3.1Å; L421-A423 PolarHBondContact O-N 3.5Å
424	S	97.1	Very high	91.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	134.5	-169.8	-56	0	0	0	0	112.7	R334 T339 V420 L421	R334-S424 VanDerWaalsContact CD-O 3.3Å; R334-S424 WeakPolarHBondContact CD-O 3.43Å; R334-S424 PolarHBondContact NH1-O 3.35Å; T339-S424 WeakPolarHBondContact CB-OG 3.3Å; T339-S424 WeakPolarHBondContact CG2-OG 3.44Å; T339-S424 WeakPolarHBondContact OG1-CB 3.42Å; T339-S424 PolarHBondContact OG1-OG 2.77Å; V420-S424 PolarHBondContact O-N 3.38Å; V420-S424 PolarHBondContact O-OG 2.91Å; L421-S424 WeakPolarHBondContact O-CB 3.27Å; L421-S424 PolarHBondContact O-N 2.81Å
425	T	97.4	Very high	90.8	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.012	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	-52.5	175.7	-51	0	0	0	0	110.5	R334 Y336 L337 I456 M501	R334-T425 PolarHBondContact N-OG1 3.29Å; Y336-T425 PolarHBondContact O-N 3.04Å; Y336-T425 PolarHBondContact O-OG1 3Å; L337-T425 VanDerWaalsContact O-CB 3.3Å; L337-T425 WeakPolarHBondContact O-CB 3.18Å; T425-I456 PolarHBondContact O-N 2.74Å; T425-M501 HydrophobicContact CG2-SD 4.02Å
426	F	98.1	Very high	90.4	Very high	1 Å²	1	31.2 Å²	31.2	0%	0.004	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	147.5	174.7	-60.7	-78	0	0	0	110.7	L337 F338 T339 I456 V458 I479 L493 L496 M501	L337-F426 HydrophobicContact CD1-CD2 4.06Å; L337-F426 HydrophobicContact CD1-CE2 4.02Å; L337-F426 VanDerWaalsContact O-CD2 3.26Å; L337-F426 WeakPolarHBondContact O-CD2 3.21Å; L337-F426 PolarHBondContact O-N 3.49Å; F338-F426 VanDerWaalsContact CA-O 3.26Å; F338-F426 WeakPolarHBondContact CA-O 3.48Å; F338-F426 HydrophobicContact CB-CB 3.79Å; T339-F426 PolarHBondContact N-O 3.31Å; F426-I456 CarbonylContact C-O 3.29Å; F426-I456 WeakPolarHBondContact CA-O 3.26Å; F426-I456 HydrophobicContact CD1-CB 3.62Å; F426-I456 HydrophobicContact CD1-CD1 4.34Å; F426-I456 HydrophobicContact CD1-CG2 3.85Å; F426-I456 HydrophobicContact CE1-CB 3.89Å; F426-I456 HydrophobicContact CE1-CD1 3.8Å; F426-I456 HydrophobicContact CE1-CG1 4.46Å; F426-I456 HydrophobicContact CE1-CG2 3.92Å; F426-I456 HydrophobicContact CZ-CD1 4.42Å; F426-V458 HydrophobicContact CB-CG2 3.8Å; F426-V458 HydrophobicContact CD1-CG2 3.74Å; F426-V458 HydrophobicContact CG-CG2 4.07Å; F426-I479 HydrophobicContact CD1-CD1 3.96Å; F426-I479 HydrophobicContact CE1-CD1 3.52Å; F426-I479 HydrophobicContact CZ-CD1 4.41Å; F426-L493 HydrophobicContact CB-CD1 4.29Å; F426-L493 HydrophobicContact CD1-CD2 3.92Å; F426-L493 HydrophobicContact CD2-CB 4.09Å; F426-L493 HydrophobicContact CD2-CD1 4Å; F426-L493 HydrophobicContact CD2-CD2 4.16Å; F426-L493 HydrophobicContact CD2-CG 4.3Å; F426-L493 HydrophobicContact CE1-CD2 3.98Å; F426-L493 HydrophobicContact CE2-CB 3.91Å; F426-L493 HydrophobicContact CE2-CD2 4.21Å; F426-L493 HydrophobicContact CE2-CG 4.46Å; F426-L493 HydrophobicContact CG-CD1 4.12Å; F426-L493 HydrophobicContact CG-CD2 4.04Å; F426-L493 HydrophobicContact CZ-CB 4.44Å; F426-L493 HydrophobicContact CZ-CD2 4.13Å; F426-L496 HydrophobicContact CE1-CD1 3.95Å; F426-L496 HydrophobicContact CZ-CD1 3.75Å; F426-M501 HydrophobicContact CE1-CG 4.47Å; F426-M501 HydrophobicContact CE1-SD 4.49Å; F426-M501 HydrophobicContact CE2-SD 3.97Å; F426-M501 HydrophobicContact CZ-CG 3.93Å; F426-M501 HydrophobicContact CZ-SD 3.53Å; F426-M501 VanDerWaalsContact CZ-SD 3.53Å
427	A	97.7	Very high	90.2	Very high	4 Å²	4	26.8 Å²	26.8	3%	0.033	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	118.7	174.7	0	0	0	0	0	109	L421 A450 A455 I456 P457 V458	L421-A427 HydrophobicContact CD2-CB 3.67Å; A427-A450 HydrophobicContact CB-CB 3.51Å; A427-A455 HydrophobicContact CB-CB 3.99Å; A427-I456 PolarHBondContact N-O 2.95Å; A427-P457 CarbonylContact O-C 3.47Å; A427-P457 WeakPolarHBondContact O-CA 3.38Å; A427-V458 PolarHBondContact O-N 2.87Å
428	L	96.9	Very high	90	Very high	6 Å²	6	26.7 Å²	26.7	3%	0.031	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	130.9	-177.9	-161.7	65.7	0	0	0	110.4	T339 F340 L380 I430 V458 L460 L489	T339-L428 WeakPolarHBondContact O-CB 3.38Å; T339-L428 PolarHBondContact O-N 2.94Å; F340-L428 HydrophobicContact CB-CB 3.97Å; F340-L428 HydrophobicContact CB-CD2 4.02Å; F340-L428 HydrophobicContact CD2-CB 4.07Å; F340-L428 HydrophobicContact CD2-CD2 4.3Å; F340-L428 HydrophobicContact CD2-CG 4.39Å; F340-L428 WeakPolarHBondContact CD2-O 3.49Å; F340-L428 HydrophobicContact CG-CB 4.43Å; F340-L428 HydrophobicContact CG-CD2 4.25Å; L380-L428 HydrophobicContact CD1-CD2 3.52Å; L380-L428 HydrophobicContact CD2-CD2 4.46Å; L428-I430 HydrophobicContact CD2-CD1 4.17Å; L428-I430 HydrophobicContact CD2-CG1 4.08Å; L428-I430 HydrophobicContact CG-CG1 4.13Å; L428-V458 HydrophobicContact CD1-CB 3.98Å; L428-V458 HydrophobicContact CD1-CG1 3.85Å; L428-L460 HydrophobicContact CD1-CD1 3.57Å; L428-L460 HydrophobicContact CD1-CG 3.65Å; L428-L460 HydrophobicContact CD2-CD1 3.76Å; L428-L460 HydrophobicContact CG-CD1 3.9Å; L428-L460 HydrophobicContact CG-CG 4.34Å; L428-L489 HydrophobicContact CD1-CD2 3.88Å
429	V	94.9	Very high	89.9	Confident	1 Å²	1	26.1 Å²	26.1	1%	0.006	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	103.3	174.4	-175.3	0	0	0	0	107.4	C443 R446 V458 M459 L460	V429-C443 HydrophobicContact CG1-CB 4.26Å; V429-R446 HydrophobicContact CG1-CB 4.17Å; V429-R446 HydrophobicContact CG2-CB 3.96Å; V429-V458 PolarHBondContact N-O 2.9Å; V429-M459 HydrophobicContact CB-CE 4.41Å; V429-M459 HydrophobicContact CB-SD 3.53Å; V429-M459 VanDerWaalsContact CB-SD 3.53Å; V429-M459 HydrophobicContact CG1-CE 3.92Å; V429-M459 HydrophobicContact CG1-SD 3.54Å; V429-M459 VanDerWaalsContact CG1-SD 3.54Å; V429-M459 HydrophobicContact CG2-SD 4.19Å; V429-M459 CarbonylContact O-C 3.59Å; V429-M459 WeakPolarHBondContact O-CA 3.35Å; V429-L460 PolarHBondContact O-N 3.45Å
430	I	91.8	Very high	89.7	Confident	2 Å²	2	21 Å²	21	1%	0.01	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	120.7	-179.5	-52.1	-179.7	0	0	0	108.2	F340 I376 W408 L428 L460	F340-I430 HydrophobicContact CD1-CD1 4.16Å; F340-I430 HydrophobicContact CD2-CD1 3.94Å; F340-I430 HydrophobicContact CD2-CG1 3.97Å; F340-I430 HydrophobicContact CE1-CD1 3.81Å; F340-I430 HydrophobicContact CE2-CB 4.17Å; F340-I430 HydrophobicContact CE2-CD1 3.57Å; F340-I430 HydrophobicContact CE2-CG1 3.58Å; F340-I430 HydrophobicContact CG-CD1 4.22Å; F340-I430 HydrophobicContact CZ-CB 4.46Å; F340-I430 HydrophobicContact CZ-CD1 3.5Å; F340-I430 HydrophobicContact CZ-CG1 3.99Å; I376-I430 HydrophobicContact CD1-CG2 4.41Å; I376-I430 HydrophobicContact CG2-CD1 3.99Å; W408-I430 HydrophobicContact CZ2-CD1 4.37Å; L428-I430 HydrophobicContact CD2-CD1 4.17Å; L428-I430 HydrophobicContact CD2-CG1 4.08Å; L428-I430 HydrophobicContact CG-CG1 4.13Å; I430-L460 HydrophobicContact CG1-CD1 4.21Å
431	A	88.3	Confident	89.4	Confident	0 Å²	0	19.6 Å²	19.6	0%	0	13%	0.125	C	C	.	.	P	Polyproline II helix	trans	-68.3	151.5	176.1	0	0	0	0	0	110.6	L460 K483	A431-L460 VanDerWaalsContact CB-O 3.28Å; A431-L460 WeakPolarHBondContact CB-O 3.36Å; A431-L460 PolarHBondContact N-O 3.1Å; A431-K483 WeakPolarHBondContact O-CE 3.44Å; A431-K483 PolarHBondContact O-NZ 2.92Å
432	P	83.6	Confident	89.1	Confident	1 Å²	1	18.8 Å²	18.8	1%	0.006	12%	0.121	C	C	.	.	P	Polyproline II helix	trans	-54	156.7	178.4	-24.2	35.5	0	0	0	113	T406 E407 L437 H463 K483	T406-P432 WeakPolarHBondContact O-CA 3.35Å; E407-P432 HydrophobicContact CG-CG 4.46Å; P432-L437 HydrophobicContact CB-CD2 3.87Å; P432-L437 HydrophobicContact CG-CD2 3.61Å; P432-L437 HydrophobicContact CG-CG 4.23Å; P432-H463 PolarHBondContact O-CE1 3.14Å; P432-H463 PolarHBondContact O-NE2 3.04Å; P432-K483 PolarHBondContact O-NZ 2.84Å
433	G	72.4	Confident	88.8	Confident	41 Å²	41	15.7 Å²	15.7	42%	0.423	11%	0.109	S	C	.	.	S	Bend	trans	-70.5	-33	174.1	0	0	0	0	0	113	T406 G435	T406-G433 PolarHBondContact O-N 2.74Å; G433-G435 PolarHBondContact O-N 3.38Å
434	D	74.3	Confident	88.6	Confident	61 Å²	61	14.8 Å²	14.8	33%	0.326	10%	0.103	S	C	.	.			trans	-75.4	113.5	-177.9	-174.9	5.7	0	0	0	112.5	T406 Q436 L437	T406-D434 HydrophobicContact CG2-CB 4.29Å; T406-D434 WeakPolarHBondContact OG1-CB 3.36Å; T406-D434 PolarHBondContact OG1-N 3.3Å; D434-Q436 PolarHBondContact O-N 3.47Å; D434-Q436 WeakPolarHBondContact OD1-CB 3.42Å; D434-Q436 WeakPolarHBondContact OD1-CG 3.48Å; D434-Q436 PolarHBondContact OD1-N 2.82Å; D434-L437 PolarHBondContact O-N 2.9Å; D434-L437 VanDerWaalsContact O-N 3.08Å
435	G	72.8	Confident	88.3	Confident	48 Å²	48	15.7 Å²	15.7	50%	0.495	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-16.5	174.9	0	0	0	0	0	114.5	G433 L437	G433-G435 PolarHBondContact O-N 3.38Å; G435-L437 VanDerWaalsContact C-N 3.31Å
436	Q	82	Confident	88.1	Confident	90 Å²	90	16.7 Å²	16.7	42%	0.421	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-18.4	174.4	-59.1	-171.1	7.8	0	0	112.8	L299 E300 D434 V438	L299-Q436 CarbonylContact C-O 3.57Å; L299-Q436 VanDerWaalsContact CA-O 3.31Å; L299-Q436 WeakPolarHBondContact CA-O 3.45Å; E300-Q436 PolarHBondContact N-O 2.71Å; D434-Q436 PolarHBondContact O-N 3.47Å; D434-Q436 WeakPolarHBondContact OD1-CB 3.42Å; D434-Q436 WeakPolarHBondContact OD1-CG 3.48Å; D434-Q436 PolarHBondContact OD1-N 2.82Å; Q436-V438 PolarHBondContact O-N 2.97Å
437	L	86.3	Confident	87.9	Confident	8 Å²	8	16.9 Å²	16.9	4%	0.042	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	94.5	-179.6	-171.4	56.7	0	0	0	110.4	T297 L299 L404 P432 D434 G435 A439	T297-L437 HydrophobicContact CG2-CD1 4.18Å; L299-L437 HydrophobicContact CD2-CD1 3.97Å; L404-L437 HydrophobicContact CD1-CD1 4.36Å; L404-L437 HydrophobicContact CD1-CD2 4.16Å; P432-L437 HydrophobicContact CB-CD2 3.87Å; P432-L437 HydrophobicContact CG-CD2 3.61Å; P432-L437 HydrophobicContact CG-CG 4.23Å; D434-L437 PolarHBondContact O-N 2.9Å; D434-L437 VanDerWaalsContact O-N 3.08Å; G435-L437 VanDerWaalsContact C-N 3.31Å; L437-A439 WeakPolarHBondContact CD1-O 3.38Å
438	V	88	Confident	87.6	Confident	15 Å²	15	17 Å²	17	9%	0.091	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	-40.1	-176.9	170	0	0	0	0	112	F298 E300 Y303 Q436 S464 R465	F298-V438 HydrophobicContact CB-CB 4.26Å; F298-V438 PolarHBondContact O-N 3.21Å; E300-V438 VanDerWaalsContact CA-CG2 3.49Å; E300-V438 HydrophobicContact CB-CG2 3.75Å; E300-V438 HydrophobicContact CG-CG2 4.26Å; Y303-V438 HydrophobicContact CD1-CG1 3.84Å; Y303-V438 HydrophobicContact CE1-CG1 4.29Å; Y303-V438 HydrophobicContact CG-CG1 4.18Å; Q436-V438 PolarHBondContact O-N 2.97Å; V438-S464 CarbonylContact O-C 3.49Å; V438-S464 WeakPolarHBondContact O-CA 3.37Å; V438-R465 HydrophobicContact CG1-CB 3.87Å; V438-R465 HydrophobicContact CG1-CG 3.46Å; V438-R465 VanDerWaalsContact CG1-CG 3.46Å; V438-R465 PolarHBondContact O-N 2.62Å
439	A	90.7	Very high	87.4	Confident	3 Å²	3	16.8 Å²	16.8	3%	0.025	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	146.5	175.8	0	0	0	0	0	109.7	T297 F298 V310 L437	T297-A439 CarbonylContact C-O 3.54Å; T297-A439 VanDerWaalsContact CA-O 3.26Å; T297-A439 WeakPolarHBondContact CA-O 3.39Å; F298-A439 HydrophobicContact CB-CB 4.23Å; F298-A439 HydrophobicContact CD2-CB 4.46Å; F298-A439 PolarHBondContact N-O 3.27Å; F298-A439 PolarHBondContact O-N 3.07Å; V310-A439 HydrophobicContact CG1-CB 3.67Å; V310-A439 HydrophobicContact CG2-CB 4.22Å; L437-A439 WeakPolarHBondContact CD1-O 3.38Å
440	S	89.2	Confident	87.4	Confident	6 Å²	6	16.8 Å²	16.8	4%	0.042	11%	0.11	C	C	.	.			trans	-133.9	143.9	175.7	80	0	0	0	0	111.8	S296 E407 G442 C443 G444	S296-S440 CarbonylContact O-C 3.47Å; E407-S440 WeakPolarHBondContact OE1-CB 3.42Å; E407-S440 PolarHBondContact OE1-OG 3.44Å; S440-G442 VanDerWaalsContact C-N 3.31Å; S440-G442 PolarHBondContact O-N 2.97Å; S440-C443 VanDerWaalsContact OG-CB 3.27Å; S440-C443 WeakPolarHBondContact OG-CB 3.26Å; S440-C443 PolarHBondContact OG-N 3.09Å; S440-C443 VanDerWaalsContact OG-N 3.14Å; S440-C443 PolarHBondContact OG-SG 2.83Å; S440-C443 VanDerWaalsContact OG-SG 3.36Å; S440-G444 PolarHBondContact O-N 3.36Å
441	A	89.2	Confident	87.5	Confident	0 Å²	0	16.9 Å²	16.9	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-61.5	-38.7	174.9	0	0	0	0	0	111.9	T279 S296 T297 G444 M445	T279-A441 HydrophobicContact CG2-CB 4.05Å; S296-A441 PolarHBondContact O-N 2.89Å; T297-A441 PolarHBondContact OG1-N 3.44Å; T297-A441 VanDerWaalsContact OG1-N 3.13Å; A441-G444 CarbonylContact O-C 3.51Å; A441-G444 WeakPolarHBondContact O-CA 3.47Å; A441-G444 PolarHBondContact O-N 3.17Å; A441-M445 WeakPolarHBondContact O-CG 3.3Å; A441-M445 PolarHBondContact O-N 2.88Å
442	G	88.8	Confident	87.6	Confident	2 Å²	2	18 Å²	18	2%	0.021	12%	0.116	C	C	.	.	H	α-helix	trans	-63.6	-46.7	178.9	0	0	0	0	0	113.5	S277 E407 S440 G444 M445 R446	S277-G442 PolarHBondContact O-N 2.94Å; E407-G442 WeakPolarHBondContact OE1-CA 3.4Å; E407-G442 PolarHBondContact OE1-N 3.34Å; S440-G442 VanDerWaalsContact C-N 3.31Å; S440-G442 PolarHBondContact O-N 2.97Å; G442-G444 VanDerWaalsContact C-N 3.3Å; G442-G444 PolarHBondContact O-N 2.85Å; G442-M445 PolarHBondContact O-N 3.46Å; G442-R446 PolarHBondContact O-N 3.2Å; G442-R446 VanDerWaalsContact O-N 3.17Å
443	C	89.6	Confident	88.1	Confident	9 Å²	9	18.1 Å²	18.1	6%	0.061	12%	0.117	C	C	.	.	H	α-helix	trans	-60.7	-41	171.3	-72.1	0	0	0	0	111.5	E407 V429 S440 M445 R446 L447	E407-C443 PolarHBondContact OE1-N 2.66Å; V429-C443 HydrophobicContact CG1-CB 4.26Å; S440-C443 VanDerWaalsContact OG-CB 3.27Å; S440-C443 WeakPolarHBondContact OG-CB 3.26Å; S440-C443 PolarHBondContact OG-N 3.09Å; S440-C443 VanDerWaalsContact OG-N 3.14Å; S440-C443 PolarHBondContact OG-SG 2.83Å; S440-C443 VanDerWaalsContact OG-SG 3.36Å; C443-M445 VanDerWaalsContact C-N 3.34Å; C443-M445 PolarHBondContact O-N 2.91Å; C443-R446 PolarHBondContact O-N 2.84Å; C443-L447 WeakPolarHBondContact O-CB 3.3Å; C443-L447 PolarHBondContact O-N 3.4Å
444	G	90.9	Very high	89.1	Confident	11 Å²	11	16.7 Å²	16.7	11%	0.113	10%	0.103	C	C	.	.	H	α-helix	trans	-59.1	-40.5	175.1	0	0	0	0	0	113.4	S440 A441 G442 F448	S440-G444 PolarHBondContact O-N 3.36Å; A441-G444 CarbonylContact O-C 3.51Å; A441-G444 WeakPolarHBondContact O-CA 3.47Å; A441-G444 PolarHBondContact O-N 3.17Å; G442-G444 VanDerWaalsContact C-N 3.3Å; G442-G444 PolarHBondContact O-N 2.85Å; G444-F448 WeakPolarHBondContact O-CB 3.28Å; G444-F448 PolarHBondContact O-N 3.38Å
445	M	91.3	Very high	90.1	Very high	19 Å²	19	13.9 Å²	13.9	9%	0.094	9%	0.088	C	C	.	.	H	α-helix	trans	-65.3	-45.3	176.5	-70.2	178	85.7	0	0	111.6	S277 P313 L410 A441 G442 C443 L447 F448 E449	S277-M445 PolarHBondContact N-SD 3.47Å; P313-M445 HydrophobicContact CB-CG 4.15Å; P313-M445 HydrophobicContact CG-CG 3.68Å; L410-M445 HydrophobicContact CD1-CB 4.28Å; L410-M445 HydrophobicContact CD1-CE 4.13Å; L410-M445 HydrophobicContact CD1-SD 3.88Å; A441-M445 WeakPolarHBondContact O-CG 3.3Å; A441-M445 PolarHBondContact O-N 2.88Å; G442-M445 PolarHBondContact O-N 3.46Å; C443-M445 VanDerWaalsContact C-N 3.34Å; C443-M445 PolarHBondContact O-N 2.91Å; M445-L447 PolarHBondContact O-N 3.41Å; M445-F448 PolarHBondContact O-N 3.46Å; M445-E449 WeakPolarHBondContact O-CB 3.46Å; M445-E449 VanDerWaalsContact O-CG 3.32Å; M445-E449 WeakPolarHBondContact O-CG 3.31Å; M445-E449 PolarHBondContact O-N 2.86Å
446	R	92.4	Very high	91.3	Very high	23 Å²	23	11.7 Å²	11.7	9%	0.087	7%	0.065	C	C	.	.	H	α-helix	trans	-61.8	-44.1	177.5	-65.9	175.3	174.4	-80.4	-0.3	112.1	Q341 W408 A409 L410 V429 G442 C443 F448 A450	Q341-R446 PolarHBondContact O-NH1 3.37Å; Q341-R446 PolarHBondContact O-NH2 3.43Å; W408-R446 PolarHBondContact O-NH2 2.86Å; A409-R446 PolarHBondContact O-NH2 3.02Å; L410-R446 HydrophobicContact CD2-CG 3.58Å; V429-R446 HydrophobicContact CG1-CB 4.17Å; V429-R446 HydrophobicContact CG2-CB 3.96Å; G442-R446 PolarHBondContact O-N 3.2Å; G442-R446 VanDerWaalsContact O-N 3.17Å; C443-R446 PolarHBondContact O-N 2.84Å; R446-F448 VanDerWaalsContact C-N 3.33Å; R446-A450 WeakPolarHBondContact O-CB 3.35Å; R446-A450 PolarHBondContact O-N 3.05Å
447	L	94	Very high	92.1	Very high	5 Å²	5	7.5 Å²	7.5	3%	0.026	5%	0.045	C	C	.	.	H	α-helix	trans	-58.1	-48.8	175.3	177.2	67.4	0	0	0	110.5	C443 M445 A450 L451 P457 L466 W474	C443-L447 WeakPolarHBondContact O-CB 3.3Å; C443-L447 PolarHBondContact O-N 3.4Å; M445-L447 PolarHBondContact O-N 3.41Å; L447-A450 PolarHBondContact O-N 3.29Å; L447-L451 HydrophobicContact CD1-CD1 4.46Å; L447-L451 HydrophobicContact CG-CD1 4.23Å; L447-L451 VanDerWaalsContact O-CG 3.27Å; L447-L451 WeakPolarHBondContact O-CG 3.22Å; L447-L451 PolarHBondContact O-N 3.27Å; L447-L451 VanDerWaalsContact O-N 3.08Å; L447-P457 HydrophobicContact CD1-CB 3.59Å; L447-P457 HydrophobicContact CD1-CG 3.66Å; L447-L466 HydrophobicContact CD2-CD2 3.81Å; L447-W474 HydrophobicContact CD1-CZ3 4.06Å; L447-W474 HydrophobicContact CD2-CH2 3.67Å; L447-W474 HydrophobicContact CD2-CZ2 4.19Å; L447-W474 HydrophobicContact CD2-CZ3 3.93Å; L447-W474 HydrophobicContact CG-CH2 4.3Å; L447-W474 HydrophobicContact CG-CZ3 4.27Å
448	F	92	Very high	92.6	Very high	5 Å²	5	7.1 Å²	7.1	2%	0.022	4%	0.043	C	C	.	.	H	α-helix	trans	-62.5	-48.2	-179.7	177.3	-90.7	0	0	0	112.8	V315 H316 G444 M445 R446 A450 L451 E452 W512 F516	V315-F448 HydrophobicContact CB-CD1 3.71Å; V315-F448 HydrophobicContact CB-CE1 3.44Å; V315-F448 VanDerWaalsContact CB-CE1 3.44Å; V315-F448 HydrophobicContact CB-CZ 4.03Å; V315-F448 HydrophobicContact CG1-CD1 3.89Å; V315-F448 HydrophobicContact CG1-CE1 3.56Å; V315-F448 HydrophobicContact CG2-CD1 3.53Å; V315-F448 HydrophobicContact CG2-CE1 3.84Å; V315-F448 HydrophobicContact CG2-CG 4.04Å; H316-F448 AromaticContact CD2-CZ 3.62Å; G444-F448 WeakPolarHBondContact O-CB 3.28Å; G444-F448 PolarHBondContact O-N 3.38Å; M445-F448 PolarHBondContact O-N 3.46Å; R446-F448 VanDerWaalsContact C-N 3.33Å; F448-A450 VanDerWaalsContact C-N 3.26Å; F448-A450 PolarHBondContact O-N 2.67Å; F448-L451 PolarHBondContact O-N 2.73Å; F448-L451 VanDerWaalsContact O-N 3.16Å; F448-E452 WeakPolarHBondContact CE1-OE2 2.96Å; F448-E452 WeakPolarHBondContact O-CB 3.1Å; F448-E452 PolarHBondContact O-N 2.88Å; F448-W512 AromaticContact CD2-CD1 3.64Å; F448-W512 AromaticContact CD2-NE1 3.9Å; F448-W512 AromaticContact CE1-NE1 3.65Å; F448-W512 AromaticContact CE2-CD1 3.2Å; F448-W512 HydrophobicContact CE2-CG 4.4Å; F448-W512 AromaticContact CE2-NE1 3.11Å; F448-W512 AromaticContact CZ-CD1 3.63Å; F448-W512 AromaticContact CZ-NE1 2.99Å; F448-F516 HydrophobicContact CD2-CB 3.78Å; F448-F516 HydrophobicContact CE2-CB 3.7Å; F448-F516 VanDerWaalsContact CE2-O 3.29Å; F448-F516 WeakPolarHBondContact CE2-O 3.49Å
449	E	92.6	Very high	93	Very high	3 Å²	3	6.6 Å²	6.6	1%	0.014	4%	0.04	C	C	.	.	H	α-helix	trans	-59.1	-38.9	178.6	-73.6	176	-176.2	0	0	111.4	R417 L418 L421 M445 V453	R417-E449 IonicContact CZ-OE1 3.92Å; R417-E449 IonicContact CZ-OE2 3.34Å; R417-E449 IonicContact NE-OE1 3.62Å; R417-E449 PolarHBondContact NE-OE1 3.32Å; R417-E449 IonicContact NE-OE2 3.51Å; R417-E449 PolarHBondContact NE-OE2 2.97Å; R417-E449 IonicContact NH2-OE1 2.64Å; R417-E449 PolarHBondContact NH2-OE1 3.45Å; R417-E449 IonicContact NH2-OE2 2.85Å; L418-E449 HydrophobicContact CD2-CB 3.87Å; L418-E449 HydrophobicContact CD2-CG 3.99Å; L421-E449 HydrophobicContact CD1-CB 3.81Å; M445-E449 WeakPolarHBondContact O-CB 3.46Å; M445-E449 VanDerWaalsContact O-CG 3.32Å; M445-E449 WeakPolarHBondContact O-CG 3.31Å; M445-E449 PolarHBondContact O-N 2.86Å; E449-V453 VanDerWaalsContact O-CG2 3.25Å; E449-V453 WeakPolarHBondContact O-CG2 3.39Å; E449-V453 PolarHBondContact O-N 3.23Å
450	A	95.2	Very high	93	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-64.5	-46	175	0	0	0	0	0	112.5	A427 R446 L447 F448 G454 A455 P457	A427-A450 HydrophobicContact CB-CB 3.51Å; R446-A450 WeakPolarHBondContact O-CB 3.35Å; R446-A450 PolarHBondContact O-N 3.05Å; L447-A450 PolarHBondContact O-N 3.29Å; F448-A450 VanDerWaalsContact C-N 3.26Å; F448-A450 PolarHBondContact O-N 2.67Å; A450-G454 PolarHBondContact O-N 3.23Å; A450-G454 VanDerWaalsContact O-N 3.14Å; A450-A455 CarbonylContact C-O 3.53Å; A450-A455 HydrophobicContact CB-CB 4.44Å; A450-A455 PolarHBondContact O-N 3.47Å; A450-P457 HydrophobicContact CB-CB 4.42Å; A450-P457 HydrophobicContact CB-CG 3.94Å
451	L	94.4	Very high	93	Very high	4 Å²	4	6.2 Å²	6.2	2%	0.021	4%	0.037	C	C	.	.	H	α-helix	trans	-64	-41.4	178.5	-64.3	171.3	0	0	0	112.1	L447 F448 V453 G454 P457 W474 W512 F516	L447-L451 HydrophobicContact CD1-CD1 4.46Å; L447-L451 HydrophobicContact CG-CD1 4.23Å; L447-L451 VanDerWaalsContact O-CG 3.27Å; L447-L451 WeakPolarHBondContact O-CG 3.22Å; L447-L451 PolarHBondContact O-N 3.27Å; L447-L451 VanDerWaalsContact O-N 3.08Å; F448-L451 PolarHBondContact O-N 2.73Å; F448-L451 VanDerWaalsContact O-N 3.16Å; L451-V453 VanDerWaalsContact C-N 3.33Å; L451-V453 PolarHBondContact O-N 2.73Å; L451-G454 PolarHBondContact O-N 2.96Å; L451-G454 VanDerWaalsContact O-N 3.14Å; L451-P457 HydrophobicContact CD2-CG 3.77Å; L451-P457 HydrophobicContact CG-CG 4.11Å; L451-W474 HydrophobicContact CD1-CH2 4.01Å; L451-W474 HydrophobicContact CD1-CZ3 3.92Å; L451-W512 HydrophobicContact CB-CB 4.07Å; L451-F516 HydrophobicContact CD1-CD2 4.46Å
452	E	91	Very high	92.6	Very high	24 Å²	24	11.4 Å²	11.4	11%	0.112	7%	0.065	C	C	.	.	H	α-helix	trans	-55.8	-46.3	179.5	176.9	167.2	-161.6	0	0	112.1	H316 R414 F448 G454 W512	H316-E452 IonicContact CE1-OE1 2.76Å; H316-E452 PolarHBondContact CE1-OE1 3.42Å; H316-E452 IonicContact NE2-OE1 3.99Å; H316-E452 PolarHBondContact NE2-OE1 3.19Å; H316-E452 IonicContact NE2-OE2 2.68Å; R414-E452 IonicContact CZ-OE2 3.86Å; R414-E452 IonicContact NH2-OE1 2.89Å; R414-E452 PolarHBondContact NH2-OE1 3.19Å; R414-E452 IonicContact NH2-OE2 2.58Å; R414-E452 PolarHBondContact NH2-OE2 2.99Å; F448-E452 WeakPolarHBondContact CE1-OE2 2.96Å; F448-E452 WeakPolarHBondContact O-CB 3.1Å; F448-E452 PolarHBondContact O-N 2.88Å; E452-G454 VanDerWaalsContact C-N 3.34Å; E452-W512 HydrophobicContact CB-CZ2 4.12Å; E452-W512 HydrophobicContact CG-CH2 4.41Å; E452-W512 HydrophobicContact CG-CZ2 3.6Å
453	V	92.6	Very high	92.3	Very high	3 Å²	3	13.9 Å²	13.9	2%	0.018	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	5.9	-179	-57.3	0	0	0	0	113.4	P327 R334 L418 L421 K422 E449 L451 A455	P327-V453 VanDerWaalsContact CG-C 3.48Å; P327-V453 VanDerWaalsContact CG-CA 3.48Å; P327-V453 HydrophobicContact CG-CB 3.96Å; P327-V453 WeakPolarHBondContact CG-O 3.31Å; R334-V453 PolarHBondContact NH1-O 3.1Å; R334-V453 PolarHBondContact NH2-O 3.43Å; L418-V453 HydrophobicContact CB-CG1 4.36Å; L418-V453 HydrophobicContact CD2-CG1 3.8Å; L421-V453 HydrophobicContact CB-CG2 3.5Å; K422-V453 HydrophobicContact CG-CB 4.03Å; K422-V453 HydrophobicContact CG-CG1 3.9Å; E449-V453 VanDerWaalsContact O-CG2 3.25Å; E449-V453 WeakPolarHBondContact O-CG2 3.39Å; E449-V453 PolarHBondContact O-N 3.23Å; L451-V453 VanDerWaalsContact C-N 3.33Å; L451-V453 PolarHBondContact O-N 2.73Å; V453-A455 VanDerWaalsContact C-N 3.28Å; V453-A455 HydrophobicContact CG2-CB 4.15Å; V453-A455 PolarHBondContact O-N 3.44Å
454	G	93.6	Very high	92.1	Very high	12 Å²	12	14.2 Å²	14.2	12%	0.124	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.6	22.8	178.8	0	0	0	0	0	114.7	A450 L451 E452 R505	A450-G454 PolarHBondContact O-N 3.23Å; A450-G454 VanDerWaalsContact O-N 3.14Å; L451-G454 PolarHBondContact O-N 2.96Å; L451-G454 VanDerWaalsContact O-N 3.14Å; E452-G454 VanDerWaalsContact C-N 3.34Å; G454-R505 WeakPolarHBondContact O-CD 3.5Å; G454-R505 WeakPolarHBondContact O-CG 3.25Å; G454-R505 PolarHBondContact O-NE 2.84Å
455	A	96.2	Very high	92.1	Very high	2 Å²	2	18.8 Å²	18.8	2%	0.017	9%	0.092	C	C	.	.	P	Polyproline II helix	trans	-79.6	135.4	166.3	0	0	0	0	0	108.9	A427 A450 V453 P457	A427-A455 HydrophobicContact CB-CB 3.99Å; A450-A455 CarbonylContact C-O 3.53Å; A450-A455 HydrophobicContact CB-CB 4.44Å; A450-A455 PolarHBondContact O-N 3.47Å; V453-A455 VanDerWaalsContact C-N 3.28Å; V453-A455 HydrophobicContact CG2-CB 4.15Å; V453-A455 PolarHBondContact O-N 3.44Å; A455-P457 VanDerWaalsContact O-CD 3.23Å; A455-P457 WeakPolarHBondContact O-CD 3.44Å
456	I	98.1	Very high	92.2	Very high	2 Å²	2	18.6 Å²	18.6	1%	0.01	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	117.5	-177.4	-60.2	167.4	0	0	0	108.4	T425 F426 A427 I479 M501 M504 R505	T425-I456 PolarHBondContact O-N 2.74Å; F426-I456 CarbonylContact C-O 3.29Å; F426-I456 WeakPolarHBondContact CA-O 3.26Å; F426-I456 HydrophobicContact CD1-CB 3.62Å; F426-I456 HydrophobicContact CD1-CD1 4.34Å; F426-I456 HydrophobicContact CD1-CG2 3.85Å; F426-I456 HydrophobicContact CE1-CB 3.89Å; F426-I456 HydrophobicContact CE1-CD1 3.8Å; F426-I456 HydrophobicContact CE1-CG1 4.46Å; F426-I456 HydrophobicContact CE1-CG2 3.92Å; F426-I456 HydrophobicContact CZ-CD1 4.42Å; A427-I456 PolarHBondContact N-O 2.95Å; I456-I479 HydrophobicContact CG2-CD1 4.34Å; I456-I479 HydrophobicContact CG2-CG1 4.5Å; I456-M501 HydrophobicContact CD1-CB 3.67Å; I456-M501 HydrophobicContact CD1-CG 3.84Å; I456-M501 WeakPolarHBondContact CD1-O 3.43Å; I456-M504 HydrophobicContact CD1-CB 4.15Å; I456-M504 HydrophobicContact CG1-CB 4.24Å; I456-M504 HydrophobicContact CG2-CB 4.23Å; I456-M504 HydrophobicContact CG2-SD 3.98Å; I456-R505 HydrophobicContact CD1-CG 4.05Å; I456-R505 HydrophobicContact CG1-CG 3.64Å
457	P	97.7	Very high	92.4	Very high	1 Å²	1	18 Å²	18	1%	0.006	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	139.8	179.3	-16.2	30.5	0	0	0	111.2	A427 L447 A450 L451 A455 A477 T478 I479	A427-P457 CarbonylContact O-C 3.47Å; A427-P457 WeakPolarHBondContact O-CA 3.38Å; L447-P457 HydrophobicContact CD1-CB 3.59Å; L447-P457 HydrophobicContact CD1-CG 3.66Å; A450-P457 HydrophobicContact CB-CB 4.42Å; A450-P457 HydrophobicContact CB-CG 3.94Å; L451-P457 HydrophobicContact CD2-CG 3.77Å; L451-P457 HydrophobicContact CG-CG 4.11Å; A455-P457 VanDerWaalsContact O-CD 3.23Å; A455-P457 WeakPolarHBondContact O-CD 3.44Å; P457-A477 WeakPolarHBondContact CD-O 3.48Å; P457-T478 HydrophobicContact CB-CG2 4.07Å; P457-T478 WeakPolarHBondContact O-CA 3.43Å; P457-T478 WeakPolarHBondContact O-CG2 3.38Å; P457-I479 PolarHBondContact O-N 2.89Å
458	V	97.6	Very high	92.4	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	105.3	173.3	-178.4	0	0	0	0	107.8	F426 A427 L428 V429 I479 V481 L489 L493	F426-V458 HydrophobicContact CB-CG2 3.8Å; F426-V458 HydrophobicContact CD1-CG2 3.74Å; F426-V458 HydrophobicContact CG-CG2 4.07Å; A427-V458 PolarHBondContact O-N 2.87Å; L428-V458 HydrophobicContact CD1-CB 3.98Å; L428-V458 HydrophobicContact CD1-CG1 3.85Å; V429-V458 PolarHBondContact N-O 2.9Å; V458-I479 CarbonylContact C-O 3.53Å; V458-I479 VanDerWaalsContact CA-O 3.31Å; V458-I479 WeakPolarHBondContact CA-O 3.5Å; V458-I479 HydrophobicContact CG1-CB 4.48Å; V458-I479 HydrophobicContact CG2-CB 4.33Å; V458-I479 HydrophobicContact CG2-CD1 4.24Å; V458-V481 HydrophobicContact CG1-CG2 4.35Å; V458-L489 HydrophobicContact CG1-CD1 3.85Å; V458-L493 HydrophobicContact CG2-CD1 4.41Å; V458-L493 HydrophobicContact CG2-CD2 3.84Å
459	M	95.4	Very high	92.4	Very high	4 Å²	4	20 Å²	20	2%	0.02	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	116.5	178.7	-63.9	-66.9	-57	0	0	109.5	V429 L466 T478 I479 I480 V481	V429-M459 HydrophobicContact CB-CE 4.41Å; V429-M459 HydrophobicContact CB-SD 3.53Å; V429-M459 VanDerWaalsContact CB-SD 3.53Å; V429-M459 HydrophobicContact CG1-CE 3.92Å; V429-M459 HydrophobicContact CG1-SD 3.54Å; V429-M459 VanDerWaalsContact CG1-SD 3.54Å; V429-M459 HydrophobicContact CG2-SD 4.19Å; V429-M459 CarbonylContact O-C 3.59Å; V429-M459 WeakPolarHBondContact O-CA 3.35Å; M459-L466 HydrophobicContact CE-CD2 3.76Å; M459-L466 HydrophobicContact CG-CD1 4.42Å; M459-L466 HydrophobicContact CG-CD2 4.47Å; M459-L466 HydrophobicContact SD-CD2 4.01Å; M459-T478 HydrophobicContact CB-CG2 4.34Å; M459-T478 HydrophobicContact CG-CG2 3.51Å; M459-I479 PolarHBondContact N-O 3.08Å; M459-I480 HydrophobicContact CB-CG1 4.22Å; M459-I480 HydrophobicContact CB-CG2 4.48Å; M459-V481 PolarHBondContact O-N 3.18Å
460	L	92.3	Very high	92.4	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	104.3	169.4	-72.7	177.6	0	0	0	110.4	I376 L428 V429 I430 A431 V481 V486 L489	I376-L460 HydrophobicContact CG2-CD1 4.43Å; L428-L460 HydrophobicContact CD1-CD1 3.57Å; L428-L460 HydrophobicContact CD1-CG 3.65Å; L428-L460 HydrophobicContact CD2-CD1 3.76Å; L428-L460 HydrophobicContact CG-CD1 3.9Å; L428-L460 HydrophobicContact CG-CG 4.34Å; V429-L460 PolarHBondContact O-N 3.45Å; I430-L460 HydrophobicContact CG1-CD1 4.21Å; A431-L460 VanDerWaalsContact CB-O 3.28Å; A431-L460 WeakPolarHBondContact CB-O 3.36Å; A431-L460 PolarHBondContact N-O 3.1Å; L460-V481 CarbonylContact C-O 3.51Å; L460-V481 WeakPolarHBondContact CA-O 3.44Å; L460-V481 HydrophobicContact CD2-CB 3.83Å; L460-V481 HydrophobicContact CD2-CG1 4.02Å; L460-V486 HydrophobicContact CD1-CG2 4.38Å; L460-L489 HydrophobicContact CD1-CD2 4.21Å; L460-L489 HydrophobicContact CD2-CD2 4.11Å
461	G	87.6	Confident	92.4	Very high	2 Å²	2	24.4 Å²	24.4	2%	0.021	12%	0.12	C	C	.	.			trans	117.6	135	-172.5	0	0	0	0	0	111.6	V481	G461-V481 PolarHBondContact N-O 2.99Å
462	D	80.7	Confident	92.4	Very high	108 Å²	108	24.4 Å²	24.4	58%	0.578	12%	0.12	S	C	*	.	S	Bend	trans	-106.7	-9.1	-173	58.2	-16.6	0	0	0	113.8	I480	D462-I480 HydrophobicContact CB-CG2 4.43Å
463	H	82.8	Confident	92.7	Very high	54 Å²	54	29.4 Å²	29.4	25%	0.25	14%	0.138	C	C	.	.	S	Bend	trans	-74.6	-25.3	177.9	63.2	-90	0	0	0	113.2	P432	P432-H463 PolarHBondContact O-CE1 3.14Å; P432-H463 PolarHBondContact O-NE2 3.04Å
464	S	86.3	Confident	92.8	Very high	17 Å²	17	29.8 Å²	29.8	12%	0.119	14%	0.139	C	C	.	.	P	Polyproline II helix	trans	-76.1	131.3	-177.3	-168.4	0	0	0	0	111.9	V438	V438-S464 CarbonylContact O-C 3.49Å; V438-S464 WeakPolarHBondContact O-CA 3.37Å
465	R	91.2	Very high	92.8	Very high	106 Å²	106	33.3 Å²	33.3	40%	0.4	16%	0.158	S	C	.	.	P	Polyproline II helix	trans	-93.7	121	178.3	-62.3	-60.9	-178.4	-179.4	3.4	110.1	V310 V438	V310-R465 HydrophobicContact CG2-CB 4.3Å; V438-R465 HydrophobicContact CG1-CB 3.87Å; V438-R465 HydrophobicContact CG1-CG 3.46Å; V438-R465 VanDerWaalsContact CG1-CG 3.46Å; V438-R465 PolarHBondContact O-N 2.62Å
466	L	93.8	Very high	92.8	Very high	15 Å²	15	35.1 Å²	35.1	8%	0.079	17%	0.166	C	C	.	.	P	Polyproline II helix	trans	-76.7	156.7	177.3	-60.4	-176.7	0	0	0	111.5	L447 M459 Y468 H469 W474	L447-L466 HydrophobicContact CD2-CD2 3.81Å; M459-L466 HydrophobicContact CE-CD2 3.76Å; M459-L466 HydrophobicContact CG-CD1 4.42Å; M459-L466 HydrophobicContact CG-CD2 4.47Å; M459-L466 HydrophobicContact SD-CD2 4.01Å; L466-Y468 PolarHBondContact O-N 2.91Å; L466-H469 WeakPolarHBondContact O-CB 3.33Å; L466-H469 PolarHBondContact O-N 2.79Å; L466-H469 PolarHBondContact O-ND1 3.22Å; L466-H469 VanDerWaalsContact O-ND1 3.08Å; L466-W474 HydrophobicContact CB-CD2 3.93Å; L466-W474 HydrophobicContact CB-CG 3.9Å; L466-W474 HydrophobicContact CB-CZ2 4.17Å; L466-W474 VanDerWaalsContact CB-NE1 3.31Å; L466-W474 HydrophobicContact CD1-CB 3.69Å; L466-W474 HydrophobicContact CD1-CD2 3.5Å; L466-W474 VanDerWaalsContact CD1-CD2 3.5Å; L466-W474 HydrophobicContact CD1-CE3 3.89Å; L466-W474 HydrophobicContact CD1-CG 3.41Å; L466-W474 VanDerWaalsContact CD1-CG 3.41Å; L466-W474 HydrophobicContact CG-CD2 4.36Å; L466-W474 HydrophobicContact CG-CG 4.27Å
467	P	94.6	Very high	92.8	Very high	10 Å²	10	35 Å²	35	7%	0.065	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	134.4	178.5	-27.8	35.8	0	0	0	112.4	V310 H469 W474 F516	V310-P467 VanDerWaalsContact O-CA 3.29Å; V310-P467 WeakPolarHBondContact O-CA 3.34Å; P467-H469 PolarHBondContact O-N 3.24Å; P467-W474 HydrophobicContact CB-CZ2 4.44Å; P467-W474 PolarHBondContact O-NE1 3.17Å; P467-F516 HydrophobicContact CB-CE1 3.81Å; P467-F516 HydrophobicContact CB-CZ 4.15Å
468	Y	94.8	Very high	92.7	Very high	3 Å²	3	35.2 Å²	35.2	1%	0.012	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	29.1	179.4	-42.6	-68.1	0	0	0	115.3	V310 V311 L466 Q470 F471 I472 F516 T525 I526 S529	V310-Y468 PolarHBondContact O-N 3.49Å; V311-Y468 HydrophobicContact CB-CE1 4.47Å; V311-Y468 HydrophobicContact CG1-CE1 3.88Å; L466-Y468 PolarHBondContact O-N 2.91Å; Y468-Q470 PolarHBondContact O-N 2.93Å; Y468-F471 PolarHBondContact O-N 3.42Å; Y468-I472 HydrophobicContact CD2-CD1 4.05Å; Y468-I472 HydrophobicContact CG-CD1 4.45Å; Y468-I472 PolarHBondContact O-N 2.9Å; Y468-F516 AromaticContact CD2-CE1 3.58Å; Y468-F516 HydrophobicContact CD2-CE1 3.58Å; Y468-F516 HydrophobicContact CD2-CZ 4.1Å; Y468-F516 HydrophobicContact CE2-CD1 4.16Å; Y468-F516 AromaticContact CE2-CE1 3.52Å; Y468-F516 HydrophobicContact CE2-CE1 3.52Å; Y468-F516 HydrophobicContact CE2-CZ 4.46Å; Y468-T525 HydrophobicContact CD1-CG2 4.03Å; Y468-T525 HydrophobicContact CD2-CG2 3.61Å; Y468-T525 HydrophobicContact CE1-CG2 3.83Å; Y468-T525 HydrophobicContact CE2-CG2 3.37Å; Y468-T525 HydrophobicContact CG-CG2 3.94Å; Y468-I526 HydrophobicContact CE1-CG1 4.28Å; Y468-S529 WeakPolarHBondContact CD1-OG 3.34Å
469	H	93.2	Very high	92.7	Very high	50 Å²	50	36.2 Å²	36.2	23%	0.231	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-18.5	-177.1	64.4	-88.5	0	0	0	115.1	Y303 L466 P467 F471	Y303-H469 PolarHBondContact OH-CE1 3.41Å; Y303-H469 PolarHBondContact OH-NE2 3.42Å; L466-H469 WeakPolarHBondContact O-CB 3.33Å; L466-H469 PolarHBondContact O-N 2.79Å; L466-H469 PolarHBondContact O-ND1 3.22Å; L466-H469 VanDerWaalsContact O-ND1 3.08Å; P467-H469 PolarHBondContact O-N 3.24Å; H469-F471 VanDerWaalsContact C-N 3.25Å; H469-F471 PolarHBondContact O-N 3.21Å
470	Q	91.3	Very high	92.7	Very high	62 Å²	62	39.7 Å²	39.7	29%	0.29	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-26.7	173.8	64.5	-176.2	0.4	0	0	113.4	Y468	Y468-Q470 PolarHBondContact O-N 2.93Å
471	F	94.8	Very high	92.8	Very high	33 Å²	33	40 Å²	40	15%	0.145	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.4	-35.9	-177.6	-57.9	-53.1	0	0	0	113.2	Y468 H469 S529 T532 S533 T596 W600 N601	Y468-F471 PolarHBondContact O-N 3.42Å; H469-F471 VanDerWaalsContact C-N 3.25Å; H469-F471 PolarHBondContact O-N 3.21Å; F471-S529 WeakPolarHBondContact CE2-O 3.45Å; F471-T532 HydrophobicContact CD1-CG2 4.2Å; F471-T532 HydrophobicContact CE1-CG2 3.65Å; F471-T532 HydrophobicContact CZ-CG2 3.85Å; F471-S533 WeakPolarHBondContact CZ-OG 3.1Å; F471-T596 HydrophobicContact CD1-CG2 3.97Å; F471-T596 HydrophobicContact CE1-CG2 4.24Å; F471-W600 HydrophobicContact CB-CB 4.09Å; F471-W600 HydrophobicContact CB-CD2 3.34Å; F471-W600 HydrophobicContact CB-CE3 3.55Å; F471-W600 HydrophobicContact CB-CG 3.6Å; F471-W600 HydrophobicContact CB-CZ2 4.4Å; F471-W600 HydrophobicContact CB-CZ3 4.16Å; F471-W600 HydrophobicContact CD2-CD2 4.12Å; F471-W600 AromaticContact CD2-CE2 3.71Å; F471-W600 HydrophobicContact CD2-CE3 4.3Å; F471-W600 AromaticContact CD2-CH2 3.8Å; F471-W600 HydrophobicContact CD2-CH2 3.8Å; F471-W600 AromaticContact CD2-CZ2 3.56Å; F471-W600 HydrophobicContact CD2-CZ2 3.56Å; F471-W600 HydrophobicContact CD2-CZ3 4.13Å; F471-W600 HydrophobicContact CE2-CZ2 4.08Å; F471-W600 AromaticContact CG-CD2 3.87Å; F471-W600 HydrophobicContact CG-CD2 3.87Å; F471-W600 AromaticContact CG-CE2 3.75Å; F471-W600 HydrophobicContact CG-CE3 4.27Å; F471-W600 HydrophobicContact CG-CG 4.26Å; F471-W600 HydrophobicContact CG-CZ2 4.1Å; F471-N601 PolarHBondContact O-ND2 3.4Å
472	I	96.1	Very high	93	Very high	5 Å²	5	42 Å²	42	3%	0.026	21%	0.205	C	C	.	.	S	Bend	trans	-80.6	123.4	177.4	-63.5	-180	0	0	0	109.3	Y468 W474 L511 Y515 F516 W600	Y468-I472 HydrophobicContact CD2-CD1 4.05Å; Y468-I472 HydrophobicContact CG-CD1 4.45Å; Y468-I472 PolarHBondContact O-N 2.9Å; I472-W474 HydrophobicContact CG2-CD2 3.96Å; I472-W474 HydrophobicContact CG2-CG 4.1Å; I472-W474 HydrophobicContact CG2-CZ2 4.26Å; I472-W474 PolarHBondContact O-N 3.29Å; I472-W474 VanDerWaalsContact O-N 3.17Å; I472-L511 HydrophobicContact CD1-CD2 4.34Å; I472-L511 HydrophobicContact CG1-CD2 4.41Å; I472-L511 HydrophobicContact CG2-CD1 3.72Å; I472-L511 HydrophobicContact CG2-CD2 3.77Å; I472-L511 HydrophobicContact CG2-CG 4.4Å; I472-Y515 HydrophobicContact CD1-CD2 3.69Å; I472-Y515 HydrophobicContact CD1-CE2 4.12Å; I472-Y515 HydrophobicContact CD1-CG 4.16Å; I472-Y515 HydrophobicContact CG1-CD2 4.39Å; I472-Y515 HydrophobicContact CG1-CE2 4.32Å; I472-F516 HydrophobicContact CD1-CE2 4.36Å; I472-F516 HydrophobicContact CD1-CZ 3.72Å; I472-W600 HydrophobicContact CG1-CE3 4.23Å
473	R	95.6	Very high	93.4	Very high	128 Å²	128	38 Å²	38	48%	0.483	18%	0.182	S	C	.	.			trans	-86.7	83.7	174.7	-171.6	168.8	-178.8	-169.7	9.6	110.4	T475 E476 Y597 N601	R473-T475 WeakPolarHBondContact CG-OG1 3.49Å; R473-T475 PolarHBondContact NE-OG1 3.43Å; R473-T475 PolarHBondContact O-N 2.94Å; R473-T475 VanDerWaalsContact O-N 3.1Å; R473-E476 WeakPolarHBondContact CD-OE1 3.45Å; R473-E476 HydrophobicContact CG-CG 4.28Å; R473-E476 IonicContact NE-OE1 3.22Å; R473-E476 IonicContact NH1-OE1 2.72Å; R473-E476 PolarHBondContact O-N 3.35Å; R473-Y597 HydrophobicContact CB-CE2 4.03Å; R473-Y597 HydrophobicContact CG-CE2 4.44Å; R473-Y597 PolarHBondContact NH1-OH 3.42Å; R473-N601 PolarHBondContact N-OD1 2.95Å
474	W	95.3	Very high	93.6	Very high	12 Å²	12	38.7 Å²	38.7	5%	0.045	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-57.9	-25	-177.8	-75.2	102.5	0	0	0	115	L447 L451 L466 P467 I472 E476 A477 T478 L511 F516	L447-W474 HydrophobicContact CD1-CZ3 4.06Å; L447-W474 HydrophobicContact CD2-CH2 3.67Å; L447-W474 HydrophobicContact CD2-CZ2 4.19Å; L447-W474 HydrophobicContact CD2-CZ3 3.93Å; L447-W474 HydrophobicContact CG-CH2 4.3Å; L447-W474 HydrophobicContact CG-CZ3 4.27Å; L451-W474 HydrophobicContact CD1-CH2 4.01Å; L451-W474 HydrophobicContact CD1-CZ3 3.92Å; L466-W474 HydrophobicContact CB-CD2 3.93Å; L466-W474 HydrophobicContact CB-CG 3.9Å; L466-W474 HydrophobicContact CB-CZ2 4.17Å; L466-W474 VanDerWaalsContact CB-NE1 3.31Å; L466-W474 HydrophobicContact CD1-CB 3.69Å; L466-W474 HydrophobicContact CD1-CD2 3.5Å; L466-W474 VanDerWaalsContact CD1-CD2 3.5Å; L466-W474 HydrophobicContact CD1-CE3 3.89Å; L466-W474 HydrophobicContact CD1-CG 3.41Å; L466-W474 VanDerWaalsContact CD1-CG 3.41Å; L466-W474 HydrophobicContact CG-CD2 4.36Å; L466-W474 HydrophobicContact CG-CG 4.27Å; P467-W474 HydrophobicContact CB-CZ2 4.44Å; P467-W474 PolarHBondContact O-NE1 3.17Å; I472-W474 HydrophobicContact CG2-CD2 3.96Å; I472-W474 HydrophobicContact CG2-CG 4.1Å; I472-W474 HydrophobicContact CG2-CZ2 4.26Å; I472-W474 PolarHBondContact O-N 3.29Å; I472-W474 VanDerWaalsContact O-N 3.17Å; W474-E476 PolarHBondContact O-N 3.4Å; W474-E476 VanDerWaalsContact O-N 3.07Å; W474-A477 PolarHBondContact O-N 3.03Å; W474-T478 WeakPolarHBondContact O-CB 3.45Å; W474-T478 PolarHBondContact O-N 3.34Å; W474-L511 HydrophobicContact CE3-CD1 4.26Å; W474-L511 HydrophobicContact CZ3-CD1 4.11Å; W474-F516 AromaticContact CH2-CE2 3.63Å; W474-F516 HydrophobicContact CH2-CE2 3.63Å; W474-F516 AromaticContact CH2-CZ 3.83Å; W474-F516 HydrophobicContact CH2-CZ 3.83Å; W474-F516 AromaticContact CZ2-CE2 3.96Å; W474-F516 HydrophobicContact CZ2-CE2 3.96Å; W474-F516 AromaticContact CZ2-CZ 3.66Å; W474-F516 HydrophobicContact CZ2-CZ 3.66Å
475	T	94.7	Very high	93.9	Very high	86 Å²	86	43.4 Å²	43.4	53%	0.528	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-61.9	-15.7	175.6	60.3	0	0	0	0	114	R473	R473-T475 WeakPolarHBondContact CG-OG1 3.49Å; R473-T475 PolarHBondContact NE-OG1 3.43Å; R473-T475 PolarHBondContact O-N 2.94Å; R473-T475 VanDerWaalsContact O-N 3.1Å
476	E	96.3	Very high	93.9	Very high	39 Å²	39	38.5 Å²	38.5	18%	0.182	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-87.7	-14.1	175.4	-68.3	-179.4	-159	0	0	113.4	R473 W474 M504 Q507 Y597	R473-E476 WeakPolarHBondContact CD-OE1 3.45Å; R473-E476 HydrophobicContact CG-CG 4.28Å; R473-E476 IonicContact NE-OE1 3.22Å; R473-E476 IonicContact NH1-OE1 2.72Å; R473-E476 PolarHBondContact O-N 3.35Å; W474-E476 PolarHBondContact O-N 3.4Å; W474-E476 VanDerWaalsContact O-N 3.07Å; E476-M504 VanDerWaalsContact O-CA 3.32Å; E476-M504 WeakPolarHBondContact O-CA 3.42Å; E476-Q507 HydrophobicContact CB-CG 3.86Å; E476-Q507 WeakPolarHBondContact O-CB 3.07Å; E476-Y597 PolarHBondContact OE1-OH 3.21Å
477	A	97	Very high	93.8	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.008	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.7	-14.4	-178.2	0	0	0	0	0	113.6	P457 W474 Q507 L511	P457-A477 WeakPolarHBondContact CD-O 3.48Å; W474-A477 PolarHBondContact O-N 3.03Å; A477-Q507 HydrophobicContact CB-CB 4.13Å; A477-Q507 HydrophobicContact CB-CG 3.94Å; A477-L511 HydrophobicContact CB-CD1 3.7Å
478	T	96.7	Very high	93.8	Very high	4 Å²	4	44.9 Å²	44.9	3%	0.025	22%	0.222	C	C	.	.			trans	-143.4	144.4	-169	-63.7	0	0	0	0	110.3	P457 M459 W474 I480	P457-T478 HydrophobicContact CB-CG2 4.07Å; P457-T478 WeakPolarHBondContact O-CA 3.43Å; P457-T478 WeakPolarHBondContact O-CG2 3.38Å; M459-T478 HydrophobicContact CB-CG2 4.34Å; M459-T478 HydrophobicContact CG-CG2 3.51Å; W474-T478 WeakPolarHBondContact O-CB 3.45Å; W474-T478 PolarHBondContact O-N 3.34Å; T478-I480 HydrophobicContact CG2-CG1 4.24Å
479	I	96.7	Very high	93.8	Very high	22 Å²	22	44.8 Å²	44.8	11%	0.113	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	120.6	174.4	-57	164	0	0	0	107.7	F426 I456 P457 V458 M459 V481 L492 L493 L496 M504	F426-I479 HydrophobicContact CD1-CD1 3.96Å; F426-I479 HydrophobicContact CE1-CD1 3.52Å; F426-I479 HydrophobicContact CZ-CD1 4.41Å; I456-I479 HydrophobicContact CG2-CD1 4.34Å; I456-I479 HydrophobicContact CG2-CG1 4.5Å; P457-I479 PolarHBondContact O-N 2.89Å; V458-I479 CarbonylContact C-O 3.53Å; V458-I479 VanDerWaalsContact CA-O 3.31Å; V458-I479 WeakPolarHBondContact CA-O 3.5Å; V458-I479 HydrophobicContact CG1-CB 4.48Å; V458-I479 HydrophobicContact CG2-CB 4.33Å; V458-I479 HydrophobicContact CG2-CD1 4.24Å; M459-I479 PolarHBondContact N-O 3.08Å; I479-V481 HydrophobicContact CG2-CG2 3.79Å; I479-L492 HydrophobicContact CG2-CD2 4.26Å; I479-L493 HydrophobicContact CD1-CD2 3.66Å; I479-L496 HydrophobicContact CD1-CD1 3.33Å; I479-L496 HydrophobicContact CG1-CD1 4.42Å; I479-M504 HydrophobicContact CD1-SD 4.37Å; I479-M504 HydrophobicContact CG1-SD 4.08Å
480	I	95.1	Very high	93.9	Very high	77 Å²	77	43.7 Å²	43.7	40%	0.395	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	119.9	179	-55.9	173.1	0	0	0	108	M459 D462 T478	M459-I480 HydrophobicContact CB-CG1 4.22Å; M459-I480 HydrophobicContact CB-CG2 4.48Å; D462-I480 HydrophobicContact CB-CG2 4.43Å; T478-I480 HydrophobicContact CG2-CG1 4.24Å
481	V	93.9	Very high	94.1	Very high	5 Å²	5	48.1 Å²	48.1	3%	0.03	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	124.7	-176.5	-175.7	0	0	0	0	108.9	V458 M459 L460 G461 I479 R485 L489 L492	V458-V481 HydrophobicContact CG1-CG2 4.35Å; M459-V481 PolarHBondContact O-N 3.18Å; L460-V481 CarbonylContact C-O 3.51Å; L460-V481 WeakPolarHBondContact CA-O 3.44Å; L460-V481 HydrophobicContact CD2-CB 3.83Å; L460-V481 HydrophobicContact CD2-CG1 4.02Å; G461-V481 PolarHBondContact N-O 2.99Å; I479-V481 HydrophobicContact CG2-CG2 3.79Å; V481-R485 HydrophobicContact CG1-CB 3.98Å; V481-L489 HydrophobicContact CG2-CD1 4.16Å; V481-L492 HydrophobicContact CG2-CD2 3.77Å
482	P	91.6	Very high	94.2	Very high	46 Å²	46	48.9 Å²	48.9	30%	0.299	24%	0.241	S	C	.	.			trans	-60.1	140.1	173.3	-24.2	34.6	0	0	0	111.4	P484 R485	P482-P484 VanDerWaalsContact C-N 3.28Å; P482-P484 VanDerWaalsContact O-N 3.14Å; P482-R485 PolarHBondContact O-N 3.25Å
483	K	88.9	Confident	94.2	Very high	24 Å²	24	48.8 Å²	48.8	10%	0.104	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-48	-41.7	179.1	-70.2	-170.2	175.1	-168.3	0	113.6	D373 I376 A431 P432 R485 V486	D373-K483 IonicContact OD1-NZ 3.4Å; D373-K483 PolarHBondContact OD1-NZ 3.01Å; D373-K483 IonicContact OD2-NZ 3.63Å; I376-K483 HydrophobicContact CD1-CB 4.29Å; I376-K483 HydrophobicContact CD1-CD 4.07Å; I376-K483 HydrophobicContact CD1-CG 4.08Å; A431-K483 WeakPolarHBondContact O-CE 3.44Å; A431-K483 PolarHBondContact O-NZ 2.92Å; P432-K483 PolarHBondContact O-NZ 2.84Å; K483-R485 PolarHBondContact O-N 3.13Å; K483-R485 VanDerWaalsContact O-N 3.11Å; K483-V486 WeakPolarHBondContact O-CB 3.36Å; K483-V486 PolarHBondContact O-N 3.17Å; K483-V486 VanDerWaalsContact O-N 3.16Å
484	P	88.9	Confident	94.2	Very high	68 Å²	68	49 Å²	49	44%	0.442	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-60.9	-21.1	179	-26.8	36.7	0	0	0	115.7	Y372 P482 V486	Y372-P484 HydrophobicContact CE1-CB 4.39Å; Y372-P484 HydrophobicContact CE1-CG 4.06Å; P482-P484 VanDerWaalsContact C-N 3.28Å; P482-P484 VanDerWaalsContact O-N 3.14Å; P484-V486 VanDerWaalsContact C-N 3.33Å
485	R	91.3	Very high	94.2	Very high	115 Å²	115	51.9 Å²	51.9	43%	0.434	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-91.8	14.1	179.9	-67.3	-173.1	70.9	-166.4	0.4	113.6	V481 P482 K483 T487 E488	V481-R485 HydrophobicContact CG1-CB 3.98Å; P482-R485 PolarHBondContact O-N 3.25Å; K483-R485 PolarHBondContact O-N 3.13Å; K483-R485 VanDerWaalsContact O-N 3.11Å; R485-T487 PolarHBondContact O-N 3.43Å; R485-T487 VanDerWaalsContact O-N 3.13Å; R485-E488 IonicContact CZ-OE2 3.07Å; R485-E488 VanDerWaalsContact CZ-OE2 3.24Å; R485-E488 IonicContact NE-OE1 2.8Å; R485-E488 IonicContact NE-OE2 3.64Å; R485-E488 PolarHBondContact NE-OE2 3.08Å; R485-E488 IonicContact NH2-OE2 2.66Å; R485-E488 PolarHBondContact NH2-OE2 2.91Å; R485-E488 PolarHBondContact O-N 3.4Å
486	V	91.4	Very high	94.3	Very high	3 Å²	3	49.4 Å²	49.4	2%	0.018	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-55.2	-32.5	-179.7	67.1	0	0	0	0	113.2	I376 T379 L380 L460 K483 P484 E488 L489	I376-V486 HydrophobicContact CB-CG2 4.41Å; I376-V486 HydrophobicContact CG1-CB 4.22Å; I376-V486 HydrophobicContact CG1-CG1 4.17Å; I376-V486 HydrophobicContact CG1-CG2 4.09Å; I376-V486 HydrophobicContact CG2-CG2 4.23Å; T379-V486 HydrophobicContact CG2-CG1 4.4Å; T379-V486 HydrophobicContact CG2-CG2 4.27Å; L380-V486 HydrophobicContact CD2-CG2 4.29Å; L380-V486 HydrophobicContact CG-CG2 4.42Å; L460-V486 HydrophobicContact CD1-CG2 4.38Å; K483-V486 WeakPolarHBondContact O-CB 3.36Å; K483-V486 PolarHBondContact O-N 3.17Å; K483-V486 VanDerWaalsContact O-N 3.16Å; P484-V486 VanDerWaalsContact C-N 3.33Å; V486-E488 PolarHBondContact O-N 3.25Å; V486-L489 WeakPolarHBondContact O-CB 3.37Å; V486-L489 PolarHBondContact O-N 3.25Å; V486-L489 VanDerWaalsContact O-N 3.14Å
487	T	91.8	Very high	94.4	Very high	76 Å²	76	49.8 Å²	49.8	47%	0.466	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-66	-23.4	177.8	51.6	0	0	0	0	113.6	T379 R485	T379-T487 HydrophobicContact CG2-CG2 4.1Å; R485-T487 PolarHBondContact O-N 3.43Å; R485-T487 VanDerWaalsContact O-N 3.13Å
488	E	94	Very high	94.3	Very high	84 Å²	84	53.4 Å²	53.4	39%	0.393	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-92.5	-7.5	178	-61.9	170.1	-136.3	0	0	112.4	R485 V486 H490 F491 L492	R485-E488 IonicContact CZ-OE2 3.07Å; R485-E488 VanDerWaalsContact CZ-OE2 3.24Å; R485-E488 IonicContact NE-OE1 2.8Å; R485-E488 IonicContact NE-OE2 3.64Å; R485-E488 PolarHBondContact NE-OE2 3.08Å; R485-E488 IonicContact NH2-OE2 2.66Å; R485-E488 PolarHBondContact NH2-OE2 2.91Å; R485-E488 PolarHBondContact O-N 3.4Å; V486-E488 PolarHBondContact O-N 3.25Å; E488-H490 PolarHBondContact O-N 2.91Å; E488-F491 PolarHBondContact O-N 2.76Å; E488-L492 WeakPolarHBondContact O-CB 3.49Å; E488-L492 PolarHBondContact O-N 3.27Å
489	L	94.5	Very high	94.3	Very high	1 Å²	1	59.2 Å²	59.2	1%	0.005	30%	0.304	C	S	.	.	H	α-helix	trans	-60.2	-47.2	-169.5	178.4	62.6	0	0	0	112.6	L380 L428 V458 L460 V481 V486 F491 L492 L493	L380-L489 HydrophobicContact CD2-CD2 4.15Å; L428-L489 HydrophobicContact CD1-CD2 3.88Å; V458-L489 HydrophobicContact CG1-CD1 3.85Å; L460-L489 HydrophobicContact CD1-CD2 4.21Å; L460-L489 HydrophobicContact CD2-CD2 4.11Å; V481-L489 HydrophobicContact CG2-CD1 4.16Å; V486-L489 WeakPolarHBondContact O-CB 3.37Å; V486-L489 PolarHBondContact O-N 3.25Å; V486-L489 VanDerWaalsContact O-N 3.14Å; L489-F491 VanDerWaalsContact C-N 3.33Å; L489-F491 PolarHBondContact O-N 3.41Å; L489-L492 PolarHBondContact O-N 2.66Å; L489-L493 HydrophobicContact CD1-CD1 3.97Å; L489-L493 HydrophobicContact CD1-CD2 4.28Å; L489-L493 HydrophobicContact CD1-CG 3.92Å; L489-L493 HydrophobicContact CG-CD1 4.12Å; L489-L493 HydrophobicContact CG-CG 4.38Å; L489-L493 WeakPolarHBondContact O-CG 3.32Å; L489-L493 PolarHBondContact O-N 3.14Å
490	H	95.5	Very high	94.3	Very high	27 Å²	27	62.1 Å²	62.1	13%	0.125	32%	0.319	C	S	.	.	H	α-helix	trans	-59.5	-44.1	-179.3	177.7	-111	0	0	0	111.8	V383 D389 E488 R494	V383-H490 HydrophobicContact CG1-CB 4.06Å; V383-H490 HydrophobicContact CG2-CB 4.04Å; D389-H490 IonicContact OD2-CD2 3.76Å; D389-H490 IonicContact OD2-CE1 3.37Å; D389-H490 PolarHBondContact OD2-CE1 3.06Å; D389-H490 IonicContact OD2-NE2 3.46Å; D389-H490 PolarHBondContact OD2-NE2 3.28Å; E488-H490 PolarHBondContact O-N 2.91Å; H490-R494 VanDerWaalsContact CE1-CD 3.49Å; H490-R494 WeakPolarHBondContact CE1-CD 3.16Å; H490-R494 WeakPolarHBondContact O-CG 3.48Å; H490-R494 PolarHBondContact O-N 3.47Å
491	F	95.6	Very high	94.4	Very high	154 Å²	154	58.5 Å²	58.5	68%	0.675	30%	0.301	S	S	*	.	H	α-helix	trans	-63.8	-47	174.9	173.3	-97.8	0	0	0	112	E488 L489 L493 R494 S495	E488-F491 PolarHBondContact O-N 2.76Å; L489-F491 VanDerWaalsContact C-N 3.33Å; L489-F491 PolarHBondContact O-N 3.41Å; F491-L493 PolarHBondContact O-N 2.86Å; F491-R494 PolarHBondContact O-N 3.34Å; F491-S495 PolarHBondContact O-N 2.88Å
492	L	96.4	Very high	94.4	Very high	50 Å²	50	59.7 Å²	59.7	26%	0.262	31%	0.307	S	S	.	.	H	α-helix	trans	-56.2	-49.7	179.9	178.9	67.4	0	0	0	111.3	I479 V481 E488 L489 R494 S495	I479-L492 HydrophobicContact CG2-CD2 4.26Å; V481-L492 HydrophobicContact CG2-CD2 3.77Å; E488-L492 WeakPolarHBondContact O-CB 3.49Å; E488-L492 PolarHBondContact O-N 3.27Å; L489-L492 PolarHBondContact O-N 2.66Å; L492-R494 VanDerWaalsContact C-N 3.33Å; L492-R494 PolarHBondContact O-N 3.23Å; L492-S495 WeakPolarHBondContact O-CB 3.29Å; L492-S495 PolarHBondContact O-N 3.06Å; L492-S495 VanDerWaalsContact O-N 3.14Å; L492-S495 PolarHBondContact O-OG 3.12Å
493	L	96.8	Very high	94.6	Very high	3 Å²	3	59.4 Å²	59.4	2%	0.016	31%	0.309	C	S	.	.	H	α-helix	trans	-65.3	-35.2	-178.2	-64.1	-177.6	0	0	0	112.5	F338 F426 V458 I479 L489 F491 S495 L496	F338-L493 HydrophobicContact CB-CD1 4.12Å; F338-L493 HydrophobicContact CD1-CD1 3.77Å; F338-L493 HydrophobicContact CG-CD1 4.2Å; F426-L493 HydrophobicContact CB-CD1 4.29Å; F426-L493 HydrophobicContact CD1-CD2 3.92Å; F426-L493 HydrophobicContact CD2-CB 4.09Å; F426-L493 HydrophobicContact CD2-CD1 4Å; F426-L493 HydrophobicContact CD2-CD2 4.16Å; F426-L493 HydrophobicContact CD2-CG 4.3Å; F426-L493 HydrophobicContact CE1-CD2 3.98Å; F426-L493 HydrophobicContact CE2-CB 3.91Å; F426-L493 HydrophobicContact CE2-CD2 4.21Å; F426-L493 HydrophobicContact CE2-CG 4.46Å; F426-L493 HydrophobicContact CG-CD1 4.12Å; F426-L493 HydrophobicContact CG-CD2 4.04Å; F426-L493 HydrophobicContact CZ-CB 4.44Å; F426-L493 HydrophobicContact CZ-CD2 4.13Å; V458-L493 HydrophobicContact CG2-CD1 4.41Å; V458-L493 HydrophobicContact CG2-CD2 3.84Å; I479-L493 HydrophobicContact CD1-CD2 3.66Å; L489-L493 HydrophobicContact CD1-CD1 3.97Å; L489-L493 HydrophobicContact CD1-CD2 4.28Å; L489-L493 HydrophobicContact CD1-CG 3.92Å; L489-L493 HydrophobicContact CG-CD1 4.12Å; L489-L493 HydrophobicContact CG-CG 4.38Å; L489-L493 WeakPolarHBondContact O-CG 3.32Å; L489-L493 PolarHBondContact O-N 3.14Å; F491-L493 PolarHBondContact O-N 2.86Å; L493-S495 VanDerWaalsContact C-N 3.29Å; L493-S495 PolarHBondContact O-N 2.9Å; L493-L496 HydrophobicContact CD2-CD1 4.46Å
494	R	95.4	Very high	95	Very high	131 Å²	131	59.7 Å²	59.7	49%	0.494	31%	0.31	S	S	.	.	H	α-helix	trans	-69.9	-25.3	174.9	-73.1	176.7	64.6	117.4	-0.9	113.5	L337 D389 H490 F491 L492 L496	L337-R494 HydrophobicContact CD2-CG 4.04Å; D389-R494 IonicContact OD1-NH1 2.87Å; D389-R494 PolarHBondContact OD1-NH1 3.03Å; D389-R494 VanDerWaalsContact OD1-NH1 3.15Å; D389-R494 VanDerWaalsContact OD2-CD 3.32Å; D389-R494 WeakPolarHBondContact OD2-CD 3.3Å; D389-R494 IonicContact OD2-CZ 3.99Å; D389-R494 IonicContact OD2-NE 2.94Å; D389-R494 IonicContact OD2-NH1 3.96Å; D389-R494 PolarHBondContact OD2-NH1 3.05Å; H490-R494 VanDerWaalsContact CE1-CD 3.49Å; H490-R494 WeakPolarHBondContact CE1-CD 3.16Å; H490-R494 WeakPolarHBondContact O-CG 3.48Å; H490-R494 PolarHBondContact O-N 3.47Å; F491-R494 PolarHBondContact O-N 3.34Å; L492-R494 VanDerWaalsContact C-N 3.33Å; L492-R494 PolarHBondContact O-N 3.23Å; R494-L496 VanDerWaalsContact C-N 3.28Å; R494-L496 PolarHBondContact O-N 2.84Å
495	S	96.4	Very high	95.3	Very high	73 Å²	73	56.7 Å²	56.7	51%	0.51	29%	0.29	S	S	.	.	H	α-helix	trans	-76.5	-14.5	-178.1	76.4	0	0	0	0	113.9	F491 L492 L493	F491-S495 PolarHBondContact O-N 2.88Å; L492-S495 WeakPolarHBondContact O-CB 3.29Å; L492-S495 PolarHBondContact O-N 3.06Å; L492-S495 VanDerWaalsContact O-N 3.14Å; L492-S495 PolarHBondContact O-OG 3.12Å; L493-S495 VanDerWaalsContact C-N 3.29Å; L493-S495 PolarHBondContact O-N 2.9Å
496	L	96.8	Very high	95.5	Very high	35 Å²	35	54.3 Å²	54.3	18%	0.183	28%	0.281	C	S	.	.	S	Bend	trans	-74.2	136.2	-177.1	-65.3	173	0	0	0	112	F426 I479 L493 R494 M501	F426-L496 HydrophobicContact CE1-CD1 3.95Å; F426-L496 HydrophobicContact CZ-CD1 3.75Å; I479-L496 HydrophobicContact CD1-CD1 3.33Å; I479-L496 HydrophobicContact CG1-CD1 4.42Å; L493-L496 HydrophobicContact CD2-CD1 4.46Å; R494-L496 VanDerWaalsContact C-N 3.28Å; R494-L496 PolarHBondContact O-N 2.84Å; L496-M501 HydrophobicContact CB-CG 4.08Å
497	S	97	Very high	95.7	Very high	47 Å²	47	54.8 Å²	54.8	33%	0.329	28%	0.284	S	S	.	.			trans	-75.4	153.3	177.7	83.4	0	0	0	0	111.8	N499 D500 M501	S497-N499 PolarHBondContact O-N 2.96Å; S497-D500 WeakPolarHBondContact CB-OD2 3.4Å; S497-D500 PolarHBondContact O-N 3.02Å; S497-D500 PolarHBondContact OG-N 3.48Å; S497-D500 PolarHBondContact OG-OD2 3.46Å; S497-M501 PolarHBondContact O-N 2.75Å
498	D	96.3	Very high	95.9	Very high	77 Å²	77	51.3 Å²	51.3	41%	0.412	26%	0.263	S	S	.	.	H	α-helix	trans	-61.3	-31.3	177.5	-65.2	-3.1	0	0	0	112	V332 K333 M501 L502	V332-D498 HydrophobicContact CG1-CB 4.44Å; K333-D498 WeakPolarHBondContact CE-OD1 3.34Å; K333-D498 IonicContact NZ-OD1 3.05Å; K333-D498 PolarHBondContact NZ-OD1 3.48Å; K333-D498 VanDerWaalsContact NZ-OD1 3.14Å; D498-M501 HydrophobicContact CB-CE 4.49Å; D498-M501 VanDerWaalsContact OD1-CE 3.23Å; D498-M501 WeakPolarHBondContact OD1-CE 3.49Å; D498-L502 VanDerWaalsContact O-CB 3.3Å; D498-L502 WeakPolarHBondContact O-CB 3.32Å; D498-L502 PolarHBondContact O-N 3.46Å
499	N	95.4	Very high	95.9	Very high	126 Å²	126	47.9 Å²	47.9	67%	0.674	25%	0.246	S	C	*	.	H	α-helix	trans	-67.7	-43.8	176.7	-70.5	-34.6	0	0	0	112.1	S497 L502 A503	S497-N499 PolarHBondContact O-N 2.96Å; N499-L502 PolarHBondContact O-N 3.37Å; N499-A503 WeakPolarHBondContact O-CB 3.25Å; N499-A503 PolarHBondContact O-N 2.67Å
500	D	96.7	Very high	95.9	Very high	82 Å²	82	48.9 Å²	48.9	44%	0.439	25%	0.251	S	S	.	.	H	α-helix	trans	-67	-45.2	178.6	-61.2	-41.1	0	0	0	110.5	S497 L502 A503 M504	S497-D500 WeakPolarHBondContact CB-OD2 3.4Å; S497-D500 PolarHBondContact O-N 3.02Å; S497-D500 PolarHBondContact OG-N 3.48Å; S497-D500 PolarHBondContact OG-OD2 3.46Å; D500-L502 PolarHBondContact O-N 2.93Å; D500-A503 WeakPolarHBondContact O-CB 3.41Å; D500-A503 PolarHBondContact O-N 3.27Å; D500-A503 VanDerWaalsContact O-N 3.17Å; D500-M504 HydrophobicContact CB-CE 4.37Å; D500-M504 WeakPolarHBondContact O-CG 3.46Å; D500-M504 PolarHBondContact O-N 2.95Å
501	M	96.9	Very high	95.9	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.01	25%	0.245	C	C	.	.	H	α-helix	trans	-59.3	-44.9	175.8	-74.7	-172.2	-73.3	0	0	111.8	V332 K333 T425 F426 I456 L496 S497 D498 A503 M504 R505	V332-M501 HydrophobicContact CG1-CB 3.38Å; V332-M501 HydrophobicContact CG1-CE 3.99Å; V332-M501 HydrophobicContact CG1-CG 4.41Å; V332-M501 HydrophobicContact CG1-SD 4.29Å; K333-M501 HydrophobicContact CG-CE 4.1Å; T425-M501 HydrophobicContact CG2-SD 4.02Å; F426-M501 HydrophobicContact CE1-CG 4.47Å; F426-M501 HydrophobicContact CE1-SD 4.49Å; F426-M501 HydrophobicContact CE2-SD 3.97Å; F426-M501 HydrophobicContact CZ-CG 3.93Å; F426-M501 HydrophobicContact CZ-SD 3.53Å; F426-M501 VanDerWaalsContact CZ-SD 3.53Å; I456-M501 HydrophobicContact CD1-CB 3.67Å; I456-M501 HydrophobicContact CD1-CG 3.84Å; I456-M501 WeakPolarHBondContact CD1-O 3.43Å; L496-M501 HydrophobicContact CB-CG 4.08Å; S497-M501 PolarHBondContact O-N 2.75Å; D498-M501 HydrophobicContact CB-CE 4.49Å; D498-M501 VanDerWaalsContact OD1-CE 3.23Å; D498-M501 WeakPolarHBondContact OD1-CE 3.49Å; M501-A503 VanDerWaalsContact C-N 3.32Å; M501-A503 PolarHBondContact O-N 3.46Å; M501-M504 PolarHBondContact O-N 2.67Å; M501-R505 WeakPolarHBondContact O-CG 3.26Å; M501-R505 PolarHBondContact O-N 2.88Å
502	L	95.3	Very high	95.8	Very high	29 Å²	29	40.3 Å²	40.3	15%	0.152	21%	0.213	C	C	.	.	H	α-helix	trans	-66.9	-34.4	177.3	-173.3	62.8	0	0	0	112.1	Q329 V330 V332 D498 N499 D500 R505 R506	Q329-L502 HydrophobicContact CB-CD1 3.99Å; V330-L502 HydrophobicContact CG1-CD1 4.23Å; V332-L502 HydrophobicContact CG2-CB 3.94Å; V332-L502 HydrophobicContact CG2-CD1 4.21Å; V332-L502 HydrophobicContact CG2-CD2 4.48Å; V332-L502 HydrophobicContact CG2-CG 4.41Å; D498-L502 VanDerWaalsContact O-CB 3.3Å; D498-L502 WeakPolarHBondContact O-CB 3.32Å; D498-L502 PolarHBondContact O-N 3.46Å; N499-L502 PolarHBondContact O-N 3.37Å; D500-L502 PolarHBondContact O-N 2.93Å; L502-R505 PolarHBondContact O-N 2.95Å; L502-R506 WeakPolarHBondContact O-CG 3.49Å; L502-R506 PolarHBondContact O-N 3.05Å
503	A	95.7	Very high	95.5	Very high	41 Å²	41	40.3 Å²	40.3	34%	0.339	21%	0.211	S	C	.	.	H	α-helix	trans	-63.4	-44	172.6	0	0	0	0	0	111.6	N499 D500 M501 R506 Q507	N499-A503 WeakPolarHBondContact O-CB 3.25Å; N499-A503 PolarHBondContact O-N 2.67Å; D500-A503 WeakPolarHBondContact O-CB 3.41Å; D500-A503 PolarHBondContact O-N 3.27Å; D500-A503 VanDerWaalsContact O-N 3.17Å; M501-A503 VanDerWaalsContact C-N 3.32Å; M501-A503 PolarHBondContact O-N 3.46Å; A503-R506 PolarHBondContact O-N 2.87Å; A503-Q507 PolarHBondContact O-N 2.98Å
504	M	97.1	Very high	95.3	Very high	29 Å²	29	41.1 Å²	41.1	14%	0.143	22%	0.217	C	C	.	.	H	α-helix	trans	-62.9	-42	175.7	-66.3	177.4	-156.4	0	0	112.3	I456 E476 I479 D500 M501 Q507 G508	I456-M504 HydrophobicContact CD1-CB 4.15Å; I456-M504 HydrophobicContact CG1-CB 4.24Å; I456-M504 HydrophobicContact CG2-CB 4.23Å; I456-M504 HydrophobicContact CG2-SD 3.98Å; E476-M504 VanDerWaalsContact O-CA 3.32Å; E476-M504 WeakPolarHBondContact O-CA 3.42Å; I479-M504 HydrophobicContact CD1-SD 4.37Å; I479-M504 HydrophobicContact CG1-SD 4.08Å; D500-M504 HydrophobicContact CB-CE 4.37Å; D500-M504 WeakPolarHBondContact O-CG 3.46Å; D500-M504 PolarHBondContact O-N 2.95Å; M501-M504 PolarHBondContact O-N 2.67Å; M504-Q507 PolarHBondContact O-N 3.26Å; M504-G508 PolarHBondContact O-N 3.46Å
505	R	95.8	Very high	95.2	Very high	5 Å²	5	34.9 Å²	34.9	2%	0.019	19%	0.193	C	C	.	.	H	α-helix	trans	-61.3	-45.7	175.3	-74.7	-175.3	168.9	-161.1	-7.6	112.7	Q329 P331 V332 G454 I456 M501 L502 Q507 G508 R509	Q329-R505 PolarHBondContact O-NH1 3.13Å; P331-R505 PolarHBondContact O-NH1 3.04Å; V332-R505 PolarHBondContact O-NH1 3.09Å; V332-R505 VanDerWaalsContact O-NH1 3.16Å; V332-R505 PolarHBondContact O-NH2 3.16Å; V332-R505 VanDerWaalsContact O-NH2 3.09Å; G454-R505 WeakPolarHBondContact O-CD 3.5Å; G454-R505 WeakPolarHBondContact O-CG 3.25Å; G454-R505 PolarHBondContact O-NE 2.84Å; I456-R505 HydrophobicContact CD1-CG 4.05Å; I456-R505 HydrophobicContact CG1-CG 3.64Å; M501-R505 WeakPolarHBondContact O-CG 3.26Å; M501-R505 PolarHBondContact O-N 2.88Å; L502-R505 PolarHBondContact O-N 2.95Å; R505-Q507 VanDerWaalsContact C-N 3.33Å; R505-Q507 PolarHBondContact O-N 3.11Å; R505-G508 PolarHBondContact O-N 2.79Å; R505-R509 WeakPolarHBondContact O-CB 3.5Å; R505-R509 PolarHBondContact O-N 2.82Å
506	R	94.7	Very high	95	Very high	65 Å²	65	31.8 Å²	31.8	25%	0.245	17%	0.17	C	C	.	.	H	α-helix	trans	-60.4	-44.6	175.4	-78.4	-171.7	-57	-106.4	-4	111.4	L502 A503 R509 F510	L502-R506 WeakPolarHBondContact O-CG 3.49Å; L502-R506 PolarHBondContact O-N 3.05Å; A503-R506 PolarHBondContact O-N 2.87Å; R506-R509 PolarHBondContact O-N 3.03Å; R506-F510 PolarHBondContact O-N 2.85Å
507	Q	96.4	Very high	94.5	Very high	14 Å²	14	30.3 Å²	30.3	7%	0.065	16%	0.163	C	C	.	.	H	α-helix	trans	-63.5	-46.4	177.9	-170.4	66	11.5	0	0	110.7	E476 A477 A503 M504 R505 R509 F510 L511 N601	E476-Q507 HydrophobicContact CB-CG 3.86Å; E476-Q507 WeakPolarHBondContact O-CB 3.07Å; A477-Q507 HydrophobicContact CB-CB 4.13Å; A477-Q507 HydrophobicContact CB-CG 3.94Å; A503-Q507 PolarHBondContact O-N 2.98Å; M504-Q507 PolarHBondContact O-N 3.26Å; R505-Q507 VanDerWaalsContact C-N 3.33Å; R505-Q507 PolarHBondContact O-N 3.11Å; Q507-R509 VanDerWaalsContact C-N 3.3Å; Q507-R509 PolarHBondContact O-N 2.77Å; Q507-F510 WeakPolarHBondContact O-CB 3.34Å; Q507-F510 PolarHBondContact O-N 3.19Å; Q507-L511 HydrophobicContact CG-CD1 4.4Å; Q507-L511 HydrophobicContact CG-CG 4.43Å; Q507-L511 VanDerWaalsContact O-CG 3.3Å; Q507-L511 WeakPolarHBondContact O-CG 3.48Å; Q507-L511 PolarHBondContact O-N 3.37Å; Q507-N601 PolarHBondContact NE2-O 3.34Å
508	G	95.5	Very high	94.1	Very high	3 Å²	3	29.1 Å²	29.1	3%	0.031	15%	0.153	C	C	.	.	H	α-helix	trans	-58.9	-41	177	0	0	0	0	0	112.8	M504 R505 L511 W512	M504-G508 PolarHBondContact O-N 3.46Å; R505-G508 PolarHBondContact O-N 2.79Å; G508-L511 PolarHBondContact O-N 3Å; G508-W512 WeakPolarHBondContact O-CB 3.25Å; G508-W512 PolarHBondContact O-N 2.9Å
509	R	93	Very high	93.8	Very high	11 Å²	11	26 Å²	26	4%	0.042	14%	0.138	C	C	.	.	H	α-helix	trans	-60.7	-50.2	173.8	-177.2	63.8	-178.3	174.6	8	111.9	V326 R505 R506 Q507 L511 W512 E513	V326-R509 VanDerWaalsContact CG2-NH2 3.31Å; R505-R509 WeakPolarHBondContact O-CB 3.5Å; R505-R509 PolarHBondContact O-N 2.82Å; R506-R509 PolarHBondContact O-N 3.03Å; Q507-R509 VanDerWaalsContact C-N 3.3Å; Q507-R509 PolarHBondContact O-N 2.77Å; R509-L511 VanDerWaalsContact C-N 3.35Å; R509-L511 PolarHBondContact O-N 3.12Å; R509-W512 VanDerWaalsContact NH1-CE3 3.34Å; R509-W512 PolarHBondContact O-N 3.39Å; R509-E513 HydrophobicContact CG-CG 4.42Å; R509-E513 IonicContact CZ-OE1 2.73Å; R509-E513 VanDerWaalsContact NE-CD 3.3Å; R509-E513 IonicContact NE-OE1 3.29Å; R509-E513 PolarHBondContact NE-OE1 2.84Å; R509-E513 IonicContact NH2-OE1 3.48Å; R509-E513 PolarHBondContact NH2-OE1 3.19Å; R509-E513 WeakPolarHBondContact O-CG 3.09Å; R509-E513 PolarHBondContact O-N 3.14Å
510	F	94.6	Very high	93.5	Very high	22 Å²	22	23.6 Å²	23.6	10%	0.096	12%	0.122	C	C	.	.	H	α-helix	trans	-56.1	-48.2	176	161.3	-107.2	0	0	0	111.6	R506 Q507 W512 E513 T514 Y515 R602 A603	R506-F510 PolarHBondContact O-N 2.85Å; Q507-F510 WeakPolarHBondContact O-CB 3.34Å; Q507-F510 PolarHBondContact O-N 3.19Å; F510-W512 VanDerWaalsContact C-N 3.34Å; F510-W512 PolarHBondContact O-N 3.34Å; F510-E513 PolarHBondContact O-N 3.15Å; F510-T514 WeakPolarHBondContact CD2-OG1 3.23Å; F510-T514 HydrophobicContact CE2-CG2 3.9Å; F510-T514 WeakPolarHBondContact CE2-OG1 3.48Å; F510-T514 HydrophobicContact CZ-CG2 4.16Å; F510-T514 WeakPolarHBondContact O-CB 3.34Å; F510-T514 PolarHBondContact O-N 3.49Å; F510-T514 PolarHBondContact O-OG1 3.5Å; F510-Y515 HydrophobicContact CE1-CE2 4.09Å; F510-Y515 HydrophobicContact CZ-CE2 4.18Å; F510-R602 VanDerWaalsContact CZ-C 3.42Å; F510-R602 WeakPolarHBondContact CZ-O 3.22Å; F510-A603 HydrophobicContact CD2-CB 4.04Å; F510-A603 VanDerWaalsContact CE2-CA 3.47Å; F510-A603 HydrophobicContact CE2-CB 3.96Å
511	L	95.8	Very high	93.3	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-61.5	-43.3	180	-65.6	-179.8	0	0	0	111.7	I472 W474 A477 Q507 G508 R509 Y515 F516	I472-L511 HydrophobicContact CD1-CD2 4.34Å; I472-L511 HydrophobicContact CG1-CD2 4.41Å; I472-L511 HydrophobicContact CG2-CD1 3.72Å; I472-L511 HydrophobicContact CG2-CD2 3.77Å; I472-L511 HydrophobicContact CG2-CG 4.4Å; W474-L511 HydrophobicContact CE3-CD1 4.26Å; W474-L511 HydrophobicContact CZ3-CD1 4.11Å; A477-L511 HydrophobicContact CB-CD1 3.7Å; Q507-L511 HydrophobicContact CG-CD1 4.4Å; Q507-L511 HydrophobicContact CG-CG 4.43Å; Q507-L511 VanDerWaalsContact O-CG 3.3Å; Q507-L511 WeakPolarHBondContact O-CG 3.48Å; Q507-L511 PolarHBondContact O-N 3.37Å; G508-L511 PolarHBondContact O-N 3Å; R509-L511 VanDerWaalsContact C-N 3.35Å; R509-L511 PolarHBondContact O-N 3.12Å; L511-Y515 HydrophobicContact CB-CD2 4.38Å; L511-Y515 HydrophobicContact CD2-CD2 3.78Å; L511-Y515 HydrophobicContact CD2-CE2 3.61Å; L511-Y515 WeakPolarHBondContact O-CB 3.23Å; L511-Y515 PolarHBondContact O-N 3.3Å; L511-F516 HydrophobicContact CB-CE2 4.1Å; L511-F516 VanDerWaalsContact O-CD2 3.28Å; L511-F516 WeakPolarHBondContact O-CD2 3.35Å
512	W	93.4	Very high	93.1	Very high	1 Å²	1	21.3 Å²	21.3	0%	0.004	11%	0.11	C	C	.	.	I	π-helix	trans	-62.7	-52.9	177.1	177.7	85.6	0	0	0	112	P321 V326 F448 L451 E452 G508 R509 F510 T514 F516 S517	P321-W512 HydrophobicContact CB-CH2 3.28Å; P321-W512 HydrophobicContact CB-CZ2 3.9Å; P321-W512 HydrophobicContact CB-CZ3 4.11Å; P321-W512 HydrophobicContact CG-CH2 3.91Å; P321-W512 HydrophobicContact CG-CZ3 4.34Å; V326-W512 HydrophobicContact CG2-CH2 4.35Å; F448-W512 AromaticContact CD2-CD1 3.64Å; F448-W512 AromaticContact CD2-NE1 3.9Å; F448-W512 AromaticContact CE1-NE1 3.65Å; F448-W512 AromaticContact CE2-CD1 3.2Å; F448-W512 HydrophobicContact CE2-CG 4.4Å; F448-W512 AromaticContact CE2-NE1 3.11Å; F448-W512 AromaticContact CZ-CD1 3.63Å; F448-W512 AromaticContact CZ-NE1 2.99Å; L451-W512 HydrophobicContact CB-CB 4.07Å; E452-W512 HydrophobicContact CB-CZ2 4.12Å; E452-W512 HydrophobicContact CG-CH2 4.41Å; E452-W512 HydrophobicContact CG-CZ2 3.6Å; G508-W512 WeakPolarHBondContact O-CB 3.25Å; G508-W512 PolarHBondContact O-N 2.9Å; R509-W512 VanDerWaalsContact NH1-CE3 3.34Å; R509-W512 PolarHBondContact O-N 3.39Å; F510-W512 VanDerWaalsContact C-N 3.34Å; F510-W512 PolarHBondContact O-N 3.34Å; W512-T514 VanDerWaalsContact C-N 3.3Å; W512-T514 PolarHBondContact O-N 2.89Å; W512-F516 PolarHBondContact O-N 2.89Å; W512-S517 VanDerWaalsContact O-CB 3.24Å; W512-S517 WeakPolarHBondContact O-CB 3.3Å; W512-S517 PolarHBondContact O-N 2.9Å; W512-S517 PolarHBondContact O-OG 2.88Å
513	E	90.6	Very high	93	Very high	51 Å²	51	20 Å²	20	24%	0.238	10%	0.103	C	C	.	.	I	π-helix	trans	-60.9	-39.8	-179	-69.4	-180	154.1	0	0	112	F323 R509 F510 S517 N521	F323-E513 HydrophobicContact CE1-CG 4.5Å; R509-E513 HydrophobicContact CG-CG 4.42Å; R509-E513 IonicContact CZ-OE1 2.73Å; R509-E513 VanDerWaalsContact NE-CD 3.3Å; R509-E513 IonicContact NE-OE1 3.29Å; R509-E513 PolarHBondContact NE-OE1 2.84Å; R509-E513 IonicContact NH2-OE1 3.48Å; R509-E513 PolarHBondContact NH2-OE1 3.19Å; R509-E513 WeakPolarHBondContact O-CG 3.09Å; R509-E513 PolarHBondContact O-N 3.14Å; F510-E513 PolarHBondContact O-N 3.15Å; E513-S517 PolarHBondContact O-OG 3.26Å; E513-N521 PolarHBondContact O-ND2 3.12Å
514	T	92.8	Very high	93	Very high	20 Å²	20	19.6 Å²	19.6	12%	0.123	10%	0.096	C	C	.	.	I	π-helix	trans	-85.6	-37.7	-170.1	-53.2	0	0	0	0	113.1	F510 W512 F607	F510-T514 WeakPolarHBondContact CD2-OG1 3.23Å; F510-T514 HydrophobicContact CE2-CG2 3.9Å; F510-T514 WeakPolarHBondContact CE2-OG1 3.48Å; F510-T514 HydrophobicContact CZ-CG2 4.16Å; F510-T514 WeakPolarHBondContact O-CB 3.34Å; F510-T514 PolarHBondContact O-N 3.49Å; F510-T514 PolarHBondContact O-OG1 3.5Å; W512-T514 VanDerWaalsContact C-N 3.3Å; W512-T514 PolarHBondContact O-N 2.89Å; T514-F607 HydrophobicContact CG2-CE2 3.52Å; T514-F607 HydrophobicContact CG2-CZ 4.11Å; T514-F607 WeakPolarHBondContact O-CZ 3.42Å
515	Y	93.7	Very high	92.9	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.089	C	C	.	.	I	π-helix	trans	-116.6	-25.5	-168.3	-57.8	-57.1	0	0	0	115.1	I472 F510 L511 T525 W600 P606 F607	I472-Y515 HydrophobicContact CD1-CD2 3.69Å; I472-Y515 HydrophobicContact CD1-CE2 4.12Å; I472-Y515 HydrophobicContact CD1-CG 4.16Å; I472-Y515 HydrophobicContact CG1-CD2 4.39Å; I472-Y515 HydrophobicContact CG1-CE2 4.32Å; F510-Y515 HydrophobicContact CE1-CE2 4.09Å; F510-Y515 HydrophobicContact CZ-CE2 4.18Å; L511-Y515 HydrophobicContact CB-CD2 4.38Å; L511-Y515 HydrophobicContact CD2-CD2 3.78Å; L511-Y515 HydrophobicContact CD2-CE2 3.61Å; L511-Y515 WeakPolarHBondContact O-CB 3.23Å; L511-Y515 PolarHBondContact O-N 3.3Å; Y515-T525 WeakPolarHBondContact CA-OG1 3.45Å; Y515-T525 HydrophobicContact CD1-CG2 3.64Å; Y515-T525 WeakPolarHBondContact CD1-OG1 3.37Å; Y515-T525 HydrophobicContact CE1-CG2 4.42Å; Y515-T525 HydrophobicContact CG-CG2 4.23Å; Y515-T525 PolarHBondContact O-OG1 2.77Å; Y515-W600 HydrophobicContact CD1-CZ3 4.42Å; Y515-W600 AromaticContact CE1-CE3 3.99Å; Y515-W600 HydrophobicContact CE1-CE3 3.99Å; Y515-W600 HydrophobicContact CE1-CZ3 4.06Å; Y515-W600 WeakPolarHBondContact CE2-O 3.46Å; Y515-W600 VanDerWaalsContact OH-CA 3.3Å; Y515-W600 WeakPolarHBondContact OH-CA 3.27Å; Y515-W600 PolarHBondContact OH-O 2.98Å; Y515-P606 HydrophobicContact CE1-CG 4.3Å; Y515-P606 WeakPolarHBondContact OH-CD 3.23Å; Y515-F607 AromaticContact CD1-CZ 3.87Å; Y515-F607 HydrophobicContact CD1-CZ 3.87Å; Y515-F607 HydrophobicContact CE1-CE2 4.39Å; Y515-F607 AromaticContact CE1-CZ 3.83Å; Y515-F607 HydrophobicContact CE1-CZ 3.83Å
516	F	90.8	Very high	93	Very high	8 Å²	8	18 Å²	18	4%	0.035	9%	0.088	C	C	.	.	I	π-helix	trans	-124.6	-18.9	-163.8	-52.3	-54.1	0	0	0	114.5	S312 F448 L451 P467 Y468 I472 W474 L511 W512 T518	S312-F516 WeakPolarHBondContact OG-CD1 3.46Å; F448-F516 HydrophobicContact CD2-CB 3.78Å; F448-F516 HydrophobicContact CE2-CB 3.7Å; F448-F516 VanDerWaalsContact CE2-O 3.29Å; F448-F516 WeakPolarHBondContact CE2-O 3.49Å; L451-F516 HydrophobicContact CD1-CD2 4.46Å; P467-F516 HydrophobicContact CB-CE1 3.81Å; P467-F516 HydrophobicContact CB-CZ 4.15Å; Y468-F516 AromaticContact CD2-CE1 3.58Å; Y468-F516 HydrophobicContact CD2-CE1 3.58Å; Y468-F516 HydrophobicContact CD2-CZ 4.1Å; Y468-F516 HydrophobicContact CE2-CD1 4.16Å; Y468-F516 AromaticContact CE2-CE1 3.52Å; Y468-F516 HydrophobicContact CE2-CE1 3.52Å; Y468-F516 HydrophobicContact CE2-CZ 4.46Å; I472-F516 HydrophobicContact CD1-CE2 4.36Å; I472-F516 HydrophobicContact CD1-CZ 3.72Å; W474-F516 AromaticContact CH2-CE2 3.63Å; W474-F516 HydrophobicContact CH2-CE2 3.63Å; W474-F516 AromaticContact CH2-CZ 3.83Å; W474-F516 HydrophobicContact CH2-CZ 3.83Å; W474-F516 AromaticContact CZ2-CE2 3.96Å; W474-F516 HydrophobicContact CZ2-CE2 3.96Å; W474-F516 AromaticContact CZ2-CZ 3.66Å; W474-F516 HydrophobicContact CZ2-CZ 3.66Å; L511-F516 HydrophobicContact CB-CE2 4.1Å; L511-F516 VanDerWaalsContact O-CD2 3.28Å; L511-F516 WeakPolarHBondContact O-CD2 3.35Å; W512-F516 PolarHBondContact O-N 2.89Å; F516-T518 PolarHBondContact O-N 3.25Å
517	S	87.6	Confident	93	Very high	4 Å²	4	15 Å²	15	3%	0.028	8%	0.077	C	C	.	.	S	Bend	trans	-66.7	-28.3	-166.8	55.6	0	0	0	0	115.1	H316 W512 E513 N521	H316-S517 WeakPolarHBondContact CB-O 3.44Å; H316-S517 PolarHBondContact CD2-O 3.19Å; W512-S517 VanDerWaalsContact O-CB 3.24Å; W512-S517 WeakPolarHBondContact O-CB 3.3Å; W512-S517 PolarHBondContact O-N 2.9Å; W512-S517 PolarHBondContact O-OG 2.88Å; E513-S517 PolarHBondContact O-OG 3.26Å; S517-N521 PolarHBondContact OG-ND2 3.11Å
518	T	88.8	Confident	93	Very high	21 Å²	21	14.4 Å²	14.4	13%	0.129	8%	0.075	C	C	.	.	S	Bend	trans	-140.2	160.1	-179	67.2	0	0	0	0	111.1	F516 E520 N521 V522	F516-T518 PolarHBondContact O-N 3.25Å; T518-E520 PolarHBondContact O-N 2.79Å; T518-N521 PolarHBondContact O-N 2.77Å; T518-N521 VanDerWaalsContact O-N 3.16Å; T518-N521 VanDerWaalsContact OG1-CG 3.32Å; T518-N521 PolarHBondContact OG1-N 3.45Å; T518-N521 VanDerWaalsContact OG1-N 3.11Å; T518-N521 PolarHBondContact OG1-ND2 3.31Å; T518-V522 WeakPolarHBondContact O-CG2 3.31Å; T518-V522 PolarHBondContact O-N 3.24Å
519	S	88.9	Confident	93	Very high	12 Å²	12	14.3 Å²	14.3	8%	0.084	7%	0.073	C	C	.	.	H	α-helix	trans	-57.3	-36	172.7	51	0	0	0	0	113.1	S215 A317 V522 L523	S215-S519 PolarHBondContact OG-OG 3.09Å; A317-S519 WeakPolarHBondContact O-CB 3.35Å; A317-S519 PolarHBondContact O-OG 2.91Å; S519-V522 PolarHBondContact O-N 2.92Å; S519-L523 PolarHBondContact O-N 3.37Å
520	E	90.6	Very high	93.1	Very high	75 Å²	75	14.4 Å²	14.4	35%	0.35	8%	0.075	S	C	.	.	H	α-helix	trans	-62.9	-47	173.6	176.9	167	-153.6	0	0	111.8	S215 S218 T518 V522 L523 N524	S215-E520 WeakPolarHBondContact OG-CA 3.42Å; S215-E520 PolarHBondContact OG-N 3.26Å; S218-E520 PolarHBondContact OG-OE1 2.61Å; T518-E520 PolarHBondContact O-N 2.79Å; E520-V522 VanDerWaalsContact C-N 3.33Å; E520-V522 PolarHBondContact O-N 3.29Å; E520-L523 PolarHBondContact O-N 3.39Å; E520-N524 WeakPolarHBondContact CG-ND2 3.33Å; E520-N524 VanDerWaalsContact O-CB 3.3Å; E520-N524 WeakPolarHBondContact O-CB 3.45Å; E520-N524 VanDerWaalsContact O-CG 3.22Å; E520-N524 PolarHBondContact O-N 3.05Å; E520-N524 PolarHBondContact O-ND2 2.77Å
521	N	91.8	Very high	93	Very high	35 Å²	35	13.6 Å²	13.6	19%	0.187	7%	0.071	C	C	.	.	H	α-helix	trans	-63	-40.7	177.4	-72.1	-11.8	0	0	0	111.6	E513 S517 T518 N524 T525	E513-N521 PolarHBondContact O-ND2 3.12Å; S517-N521 PolarHBondContact OG-ND2 3.11Å; T518-N521 PolarHBondContact O-N 2.77Å; T518-N521 VanDerWaalsContact O-N 3.16Å; T518-N521 VanDerWaalsContact OG1-CG 3.32Å; T518-N521 PolarHBondContact OG1-N 3.45Å; T518-N521 VanDerWaalsContact OG1-N 3.11Å; T518-N521 PolarHBondContact OG1-ND2 3.31Å; N521-N524 PolarHBondContact O-N 3.45Å; N521-T525 VanDerWaalsContact O-CB 3.3Å; N521-T525 WeakPolarHBondContact O-CB 3.49Å; N521-T525 PolarHBondContact O-N 3.47Å; N521-T525 PolarHBondContact O-OG1 3.03Å
522	V	92.7	Very high	92.9	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.006	8%	0.075	C	C	.	.	H	α-helix	trans	-62.9	-46.4	175.9	176.9	0	0	0	0	111	F273 S312 L314 T518 S519 E520 T525 I526	F273-V522 HydrophobicContact CD1-CG1 4.32Å; F273-V522 HydrophobicContact CE1-CG1 3.59Å; F273-V522 HydrophobicContact CZ-CG1 4.37Å; S312-V522 WeakPolarHBondContact OG-CG2 3.45Å; L314-V522 HydrophobicContact CD2-CB 4.21Å; L314-V522 HydrophobicContact CD2-CG1 4.38Å; L314-V522 HydrophobicContact CD2-CG2 4.09Å; T518-V522 WeakPolarHBondContact O-CG2 3.31Å; T518-V522 PolarHBondContact O-N 3.24Å; S519-V522 PolarHBondContact O-N 2.92Å; E520-V522 VanDerWaalsContact C-N 3.33Å; E520-V522 PolarHBondContact O-N 3.29Å; V522-T525 PolarHBondContact O-N 3.39Å; V522-I526 HydrophobicContact CG1-CD1 4.23Å; V522-I526 WeakPolarHBondContact O-CG1 3.47Å; V522-I526 PolarHBondContact O-N 3.13Å
523	L	93.6	Very high	92.9	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.005	8%	0.084	C	C	.	.	H	α-helix	trans	-63.1	-46.3	177.3	-179.4	60.3	0	0	0	111.9	F212 V216 L233 S519 E520 T525 I526 L527	F212-L523 HydrophobicContact CD2-CD1 4.49Å; F212-L523 HydrophobicContact CD2-CD2 4.45Å; F212-L523 HydrophobicContact CE2-CD1 3.9Å; F212-L523 HydrophobicContact CE2-CD2 4.31Å; V216-L523 HydrophobicContact CG2-CD2 3.9Å; L233-L523 HydrophobicContact CD1-CD1 4.03Å; S519-L523 PolarHBondContact O-N 3.37Å; E520-L523 PolarHBondContact O-N 3.39Å; L523-T525 PolarHBondContact O-N 3.04Å; L523-I526 PolarHBondContact O-N 3.07Å; L523-L527 HydrophobicContact CD1-CG 4.45Å; L523-L527 HydrophobicContact CG-CD1 4.45Å; L523-L527 WeakPolarHBondContact O-CG 3.48Å; L523-L527 PolarHBondContact O-N 3.19Å
524	N	94.9	Very high	92.9	Very high	34 Å²	34	13.4 Å²	13.4	18%	0.182	7%	0.074	C	C	.	.	H	α-helix	trans	-57.8	-37.2	175.4	-74.3	-23.2	0	0	0	111.2	N219 E520 N521 A528 F607	N219-N524 PolarHBondContact ND2-OD1 2.92Å; E520-N524 WeakPolarHBondContact CG-ND2 3.33Å; E520-N524 VanDerWaalsContact O-CB 3.3Å; E520-N524 WeakPolarHBondContact O-CB 3.45Å; E520-N524 VanDerWaalsContact O-CG 3.22Å; E520-N524 PolarHBondContact O-N 3.05Å; E520-N524 PolarHBondContact O-ND2 2.77Å; N521-N524 PolarHBondContact O-N 3.45Å; N524-A528 WeakPolarHBondContact O-CB 3.46Å; N524-A528 PolarHBondContact O-N 3.13Å; N524-F607 HydrophobicContact CB-CD1 4.11Å; N524-F607 HydrophobicContact CB-CE1 3.9Å
525	T	96.1	Very high	92.8	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-71.7	-39	177.8	-53.2	0	0	0	0	112.7	Y468 Y515 N521 V522 L523 S529 W600	Y468-T525 HydrophobicContact CD1-CG2 4.03Å; Y468-T525 HydrophobicContact CD2-CG2 3.61Å; Y468-T525 HydrophobicContact CE1-CG2 3.83Å; Y468-T525 HydrophobicContact CE2-CG2 3.37Å; Y468-T525 HydrophobicContact CG-CG2 3.94Å; Y515-T525 WeakPolarHBondContact CA-OG1 3.45Å; Y515-T525 HydrophobicContact CD1-CG2 3.64Å; Y515-T525 WeakPolarHBondContact CD1-OG1 3.37Å; Y515-T525 HydrophobicContact CE1-CG2 4.42Å; Y515-T525 HydrophobicContact CG-CG2 4.23Å; Y515-T525 PolarHBondContact O-OG1 2.77Å; N521-T525 VanDerWaalsContact O-CB 3.3Å; N521-T525 WeakPolarHBondContact O-CB 3.49Å; N521-T525 PolarHBondContact O-N 3.47Å; N521-T525 PolarHBondContact O-OG1 3.03Å; V522-T525 PolarHBondContact O-N 3.39Å; L523-T525 PolarHBondContact O-N 3.04Å; T525-S529 VanDerWaalsContact O-CB 3.3Å; T525-S529 WeakPolarHBondContact O-CB 3.32Å; T525-S529 PolarHBondContact O-N 3.37Å; T525-S529 PolarHBondContact O-OG 3.18Å; T525-W600 HydrophobicContact CG2-CH2 3.98Å; T525-W600 HydrophobicContact CG2-CZ3 3.72Å
526	I	96.1	Very high	92.6	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-60.1	-50.2	172.9	-69.2	167.5	0	0	0	109.6	V271 F273 A294 L309 V311 Y468 V522 L523 S529 I530	V271-I526 HydrophobicContact CG1-CD1 4.06Å; F273-I526 HydrophobicContact CE1-CD1 3.78Å; F273-I526 HydrophobicContact CZ-CD1 4.03Å; A294-I526 HydrophobicContact CB-CD1 4.37Å; A294-I526 HydrophobicContact CB-CG2 4.45Å; L309-I526 HydrophobicContact CD1-CG2 4.09Å; V311-I526 HydrophobicContact CG1-CD1 3.9Å; V311-I526 HydrophobicContact CG1-CG1 3.76Å; Y468-I526 HydrophobicContact CE1-CG1 4.28Å; V522-I526 HydrophobicContact CG1-CD1 4.23Å; V522-I526 WeakPolarHBondContact O-CG1 3.47Å; V522-I526 PolarHBondContact O-N 3.13Å; L523-I526 PolarHBondContact O-N 3.07Å; I526-S529 WeakPolarHBondContact O-CB 3.41Å; I526-S529 PolarHBondContact O-N 2.89Å; I526-I530 HydrophobicContact CG2-CD1 4.23Å; I526-I530 WeakPolarHBondContact O-CG1 3.28Å; I526-I530 PolarHBondContact O-N 3.04Å; I526-I530 VanDerWaalsContact O-N 3.14Å
527	L	96.4	Very high	92.5	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.005	10%	0.098	C	C	.	.	H	α-helix	trans	-64	-44.7	179.7	-68.9	-177.1	0	0	0	111.9	F188 V190 N219 L231 L233 L523 S529 I530 R531	F188-L527 HydrophobicContact CE1-CB 4.31Å; F188-L527 HydrophobicContact CE1-CD2 4.22Å; V190-L527 HydrophobicContact CG1-CD2 4.23Å; V190-L527 HydrophobicContact CG2-CD2 3.89Å; N219-L527 WeakPolarHBondContact ND2-CD1 3.33Å; L231-L527 HydrophobicContact CD2-CD2 3.88Å; L233-L527 HydrophobicContact CD1-CD2 4.01Å; L233-L527 HydrophobicContact CD2-CD2 4.39Å; L523-L527 HydrophobicContact CD1-CG 4.45Å; L523-L527 HydrophobicContact CG-CD1 4.45Å; L523-L527 WeakPolarHBondContact O-CG 3.48Å; L523-L527 PolarHBondContact O-N 3.19Å; L527-S529 VanDerWaalsContact C-N 3.31Å; L527-S529 PolarHBondContact O-N 3.5Å; L527-I530 PolarHBondContact O-N 3.47Å; L527-R531 WeakPolarHBondContact O-CB 3.48Å; L527-R531 PolarHBondContact O-N 3.27Å
528	A	95.8	Very high	92.8	Very high	3 Å²	3	18.7 Å²	18.7	3%	0.025	10%	0.1	C	C	.	.	H	α-helix	trans	-60.8	-40.3	175.2	0	0	0	0	0	111.6	N524 R531 T532 W600 P606 F607	N524-A528 WeakPolarHBondContact O-CB 3.46Å; N524-A528 PolarHBondContact O-N 3.13Å; A528-R531 PolarHBondContact O-N 3.08Å; A528-T532 WeakPolarHBondContact O-CB 3.46Å; A528-T532 PolarHBondContact O-N 3.34Å; A528-T532 PolarHBondContact O-OG1 2.5Å; A528-T532 VanDerWaalsContact O-OG1 3.05Å; A528-W600 HydrophobicContact CB-CH2 4.12Å; A528-W600 HydrophobicContact CB-CZ2 3.99Å; A528-P606 HydrophobicContact CB-CG 4.14Å; A528-F607 HydrophobicContact CB-CD1 4.12Å; A528-F607 HydrophobicContact CB-CE1 4.12Å
529	S	95.6	Very high	92.9	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-58.6	-51.3	178.2	-66.8	0	0	0	0	111.2	Y468 F471 T525 I526 L527 T532 S533 W600	Y468-S529 WeakPolarHBondContact CD1-OG 3.34Å; F471-S529 WeakPolarHBondContact CE2-O 3.45Å; T525-S529 VanDerWaalsContact O-CB 3.3Å; T525-S529 WeakPolarHBondContact O-CB 3.32Å; T525-S529 PolarHBondContact O-N 3.37Å; T525-S529 PolarHBondContact O-OG 3.18Å; I526-S529 WeakPolarHBondContact O-CB 3.41Å; I526-S529 PolarHBondContact O-N 2.89Å; L527-S529 VanDerWaalsContact C-N 3.31Å; L527-S529 PolarHBondContact O-N 3.5Å; S529-T532 PolarHBondContact O-N 2.86Å; S529-S533 WeakPolarHBondContact O-CB 3.46Å; S529-S533 PolarHBondContact O-N 2.86Å; S529-S533 PolarHBondContact O-OG 2.75Å; S529-S533 VanDerWaalsContact O-OG 3.09Å; S529-W600 WeakPolarHBondContact OG-CH2 3.46Å
530	I	94.5	Very high	93	Very high	14 Å²	14	20.6 Å²	20.6	7%	0.072	12%	0.115	C	C	.	.	H	α-helix	trans	-64.1	-47.8	-179.8	-61.7	168.4	0	0	0	109.8	F177 F188 L231 V269 L309 I526 L527 T532 S533 I534	F177-I530 HydrophobicContact CE2-CG2 4.36Å; F188-I530 HydrophobicContact CE2-CG2 4.22Å; F188-I530 HydrophobicContact CZ-CB 4.15Å; F188-I530 HydrophobicContact CZ-CG2 3.92Å; L231-I530 HydrophobicContact CD1-CD1 4.46Å; L231-I530 HydrophobicContact CD1-CG2 4.35Å; L231-I530 HydrophobicContact CD2-CD1 3.78Å; V269-I530 HydrophobicContact CB-CD1 4.39Å; V269-I530 HydrophobicContact CG1-CD1 4.3Å; V269-I530 HydrophobicContact CG2-CD1 3.44Å; V269-I530 VanDerWaalsContact CG2-CD1 3.44Å; L309-I530 HydrophobicContact CD1-CD1 4.2Å; L309-I530 HydrophobicContact CD1-CG1 3.82Å; I526-I530 HydrophobicContact CG2-CD1 4.23Å; I526-I530 WeakPolarHBondContact O-CG1 3.28Å; I526-I530 PolarHBondContact O-N 3.04Å; I526-I530 VanDerWaalsContact O-N 3.14Å; L527-I530 PolarHBondContact O-N 3.47Å; I530-T532 VanDerWaalsContact C-N 3.34Å; I530-T532 PolarHBondContact O-N 3.31Å; I530-S533 WeakPolarHBondContact O-CB 3.4Å; I530-S533 PolarHBondContact O-N 3.25Å; I530-S533 VanDerWaalsContact O-N 3.12Å; I530-I534 WeakPolarHBondContact O-CG1 3.38Å; I530-I534 PolarHBondContact O-N 3.42Å
531	R	93.6	Very high	93.1	Very high	5 Å²	5	17.7 Å²	17.7	2%	0.019	10%	0.102	C	C	.	.	H	α-helix	trans	-56.7	-45.5	179.5	-174.9	-173.9	56.1	74	-0.2	111.9	F188 L527 A528 I534 Q535 V536 P537 P606	F188-R531 HydrophobicContact CD1-CB 4.07Å; F188-R531 HydrophobicContact CD1-CG 4.21Å; F188-R531 HydrophobicContact CD2-CB 4.42Å; F188-R531 HydrophobicContact CD2-CG 4.39Å; F188-R531 HydrophobicContact CE1-CB 3.9Å; F188-R531 HydrophobicContact CE2-CB 4.28Å; F188-R531 HydrophobicContact CG-CB 4.32Å; F188-R531 HydrophobicContact CG-CG 4.13Å; F188-R531 HydrophobicContact CZ-CB 4.02Å; L527-R531 WeakPolarHBondContact O-CB 3.48Å; L527-R531 PolarHBondContact O-N 3.27Å; A528-R531 PolarHBondContact O-N 3.08Å; R531-I534 CarbonylContact O-C 3.55Å; R531-I534 WeakPolarHBondContact O-CG1 3.42Å; R531-I534 PolarHBondContact O-N 3.06Å; R531-Q535 PolarHBondContact O-N 3.09Å; R531-Q535 VanDerWaalsContact O-N 3.09Å; R531-V536 HydrophobicContact CG-CB 3.85Å; R531-V536 HydrophobicContact CG-CG1 4.18Å; R531-V536 WeakPolarHBondContact CG-O 3.2Å; R531-V536 PolarHBondContact NH1-O 3.17Å; R531-V536 PolarHBondContact O-N 2.92Å; R531-P537 VanDerWaalsContact NH1-C 3.31Å; R531-P606 PolarHBondContact NH2-O 2.95Å
532	T	93.4	Very high	93.1	Very high	12 Å²	12	23.6 Å²	23.6	7%	0.074	13%	0.126	C	C	.	.	H	α-helix	trans	-64.6	-43.5	175.4	-65.1	0	0	0	0	111.3	F471 A528 S529 I530 I534 Q535 T596 W600	F471-T532 HydrophobicContact CD1-CG2 4.2Å; F471-T532 HydrophobicContact CE1-CG2 3.65Å; F471-T532 HydrophobicContact CZ-CG2 3.85Å; A528-T532 WeakPolarHBondContact O-CB 3.46Å; A528-T532 PolarHBondContact O-N 3.34Å; A528-T532 PolarHBondContact O-OG1 2.5Å; A528-T532 VanDerWaalsContact O-OG1 3.05Å; S529-T532 PolarHBondContact O-N 2.86Å; I530-T532 VanDerWaalsContact C-N 3.34Å; I530-T532 PolarHBondContact O-N 3.31Å; T532-I534 PolarHBondContact O-N 3.25Å; T532-Q535 PolarHBondContact O-N 3.36Å; T532-T596 HydrophobicContact CG2-CG2 3.52Å; T532-W600 PolarHBondContact OG1-NE1 3.47Å
533	S	91.7	Very high	93.1	Very high	30 Å²	30	26.8 Å²	26.8	21%	0.21	14%	0.143	C	C	.	.	H	α-helix	trans	-57.9	-33.4	176.5	-71	0	0	0	0	113.5	F471 S529 I530	F471-S533 WeakPolarHBondContact CZ-OG 3.1Å; S529-S533 WeakPolarHBondContact O-CB 3.46Å; S529-S533 PolarHBondContact O-N 2.86Å; S529-S533 PolarHBondContact O-OG 2.75Å; S529-S533 VanDerWaalsContact O-OG 3.09Å; I530-S533 WeakPolarHBondContact O-CB 3.4Å; I530-S533 PolarHBondContact O-N 3.25Å; I530-S533 VanDerWaalsContact O-N 3.12Å
534	I	90.9	Very high	93.1	Very high	6 Å²	6	29.5 Å²	29.5	3%	0.031	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	7.1	176.9	67.9	166.8	0	0	0	113.6	L173 F177 Y179 C182 F188 I530 R531 T532 V536	L173-I534 HydrophobicContact CD2-CG2 3.95Å; F177-I534 HydrophobicContact CD1-CG2 3.94Å; F177-I534 HydrophobicContact CE1-CD1 4.15Å; F177-I534 HydrophobicContact CE1-CG2 3.73Å; F177-I534 HydrophobicContact CE2-CG2 4.42Å; F177-I534 HydrophobicContact CG-CG2 4.38Å; F177-I534 HydrophobicContact CZ-CD1 4.09Å; F177-I534 HydrophobicContact CZ-CG2 3.98Å; Y179-I534 HydrophobicContact CE1-CB 4.01Å; Y179-I534 HydrophobicContact CE1-CG2 4.05Å; C182-I534 HydrophobicContact CB-CD1 3.82Å; F188-I534 HydrophobicContact CD2-CD1 3.87Å; F188-I534 HydrophobicContact CE2-CD1 3.65Å; I530-I534 WeakPolarHBondContact O-CG1 3.38Å; I530-I534 PolarHBondContact O-N 3.42Å; R531-I534 CarbonylContact O-C 3.55Å; R531-I534 WeakPolarHBondContact O-CG1 3.42Å; R531-I534 PolarHBondContact O-N 3.06Å; T532-I534 PolarHBondContact O-N 3.25Å; I534-V536 VanDerWaalsContact C-N 3.25Å; I534-V536 HydrophobicContact CD1-CB 4.34Å; I534-V536 HydrophobicContact CD1-CG2 3.59Å; I534-V536 HydrophobicContact CG1-CB 4.24Å; I534-V536 HydrophobicContact CG1-CG2 3.75Å; I534-V536 PolarHBondContact O-N 2.84Å
535	Q	90.3	Very high	93.2	Very high	115 Å²	115	31.1 Å²	31.1	54%	0.537	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	25.8	176.4	-55.2	179.8	-9	0	0	115.3	L184 R531 T532	L184-Q535 WeakPolarHBondContact CD2-O 3.44Å; R531-Q535 PolarHBondContact O-N 3.09Å; R531-Q535 VanDerWaalsContact O-N 3.09Å; T532-Q535 PolarHBondContact O-N 3.36Å
536	V	89.9	Confident	93	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.006	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-81.8	128.7	174.5	175.2	0	0	0	0	109.1	L184 F188 R531 I534	L184-V536 HydrophobicContact CD2-CG2 4.48Å; F188-V536 HydrophobicContact CB-CG1 4.03Å; R531-V536 HydrophobicContact CG-CB 3.85Å; R531-V536 HydrophobicContact CG-CG1 4.18Å; R531-V536 WeakPolarHBondContact CG-O 3.2Å; R531-V536 PolarHBondContact NH1-O 3.17Å; R531-V536 PolarHBondContact O-N 2.92Å; I534-V536 VanDerWaalsContact C-N 3.25Å; I534-V536 HydrophobicContact CD1-CB 4.34Å; I534-V536 HydrophobicContact CD1-CG2 3.59Å; I534-V536 HydrophobicContact CG1-CB 4.24Å; I534-V536 HydrophobicContact CG1-CG2 3.75Å; I534-V536 PolarHBondContact O-N 2.84Å
537	P	90.1	Very high	92.9	Very high	17 Å²	17	38.1 Å²	38.1	11%	0.11	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-61.4	154.3	177.6	-23.7	34.3	0	0	0	113	R531 F589 T592 L609	R531-P537 VanDerWaalsContact NH1-C 3.31Å; P537-F589 HydrophobicContact CG-CD1 3.69Å; P537-F589 HydrophobicContact CG-CE1 3.73Å; P537-T592 WeakPolarHBondContact CA-OG1 3.46Å; P537-L609 HydrophobicContact CB-CD2 4.29Å
538	A	92.1	Very high	92.8	Very high	9 Å²	9	43.5 Å²	43.5	7%	0.074	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-66.7	158.9	174.4	0	0	0	0	0	110.3	L609	A538-L609 HydrophobicContact CB-CB 4.14Å; A538-L609 VanDerWaalsContact O-CB 3.27Å; A538-L609 WeakPolarHBondContact O-CB 3.47Å
539	A	91.1	Very high	92.5	Very high	26 Å²	26	44.5 Å²	44.5	22%	0.215	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-59.9	136.3	170.1	0	0	0	0	0	110.1	I220 Y221 I541 L609	I220-A539 HydrophobicContact CD1-CB 3.37Å; I220-A539 HydrophobicContact CG1-CB 4.35Å; Y221-A539 HydrophobicContact CE1-CB 3.99Å; Y221-A539 PolarHBondContact OH-N 3.41Å; A539-I541 PolarHBondContact O-N 3.4Å; A539-L609 PolarHBondContact O-N 2.67Å
540	P	91.4	Very high	92.2	Very high	48 Å²	48	50.3 Å²	50.3	31%	0.312	27%	0.272	S	S	.	.	B	Isolated β-bridge	trans	-55.2	137.4	172.9	-25.4	34.6	0	0	0	111.5	L149 F585 L609	L149-P540 HydrophobicContact CD1-CG 4.13Å; L149-P540 HydrophobicContact CD2-CG 3.82Å; P540-F585 HydrophobicContact CB-CE1 4.09Å; P540-F585 HydrophobicContact CB-CZ 3.98Å; P540-F585 HydrophobicContact CG-CE1 4.44Å; P540-F585 HydrophobicContact CG-CZ 4.45Å; P540-L609 WeakPolarHBondContact CA-O 3.04Å
541	I	92.5	Very high	91.8	Very high	14 Å²	14	52.3 Å²	52.3	7%	0.072	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-66.1	145.3	168.5	-162.6	156.4	0	0	0	109.8	A539 H608 L609 F610 Y807 Y811	A539-I541 PolarHBondContact O-N 3.4Å; I541-H608 HydrophobicContact CB-CB 4.21Å; I541-H608 HydrophobicContact CD1-CB 4.34Å; I541-L609 PolarHBondContact N-O 3.26Å; I541-F610 HydrophobicContact CD1-CD1 4.26Å; I541-F610 HydrophobicContact CD1-CE1 3.59Å; I541-F610 HydrophobicContact CD1-CZ 4.11Å; I541-F610 HydrophobicContact CG2-CD1 3.93Å; I541-F610 HydrophobicContact CG2-CE1 4.37Å; I541-Y807 HydrophobicContact CB-CD1 4.41Å; I541-Y807 HydrophobicContact CD1-CD1 4.03Å; I541-Y807 HydrophobicContact CD1-CG 4.27Å; I541-Y807 HydrophobicContact CG1-CD1 3.97Å; I541-Y807 HydrophobicContact CG2-CD1 3.61Å; I541-Y807 HydrophobicContact CG2-CE1 3.66Å; I541-Y807 HydrophobicContact CG2-CG 4.12Å; I541-Y811 HydrophobicContact CD1-CD2 3.82Å; I541-Y811 HydrophobicContact CD1-CE2 4.48Å; I541-Y811 HydrophobicContact CG1-CD2 4.03Å; I541-Y811 HydrophobicContact CG1-CE2 4.25Å
542	K	91.4	Very high	91.4	Very high	159 Å²	159	59.3 Å²	59.3	69%	0.691	31%	0.311	S	S	*	.	P	Polyproline II helix	trans	-86.2	138.3	-175.8	-65.3	-178	-180	177.6	0	111.2	Y811	K542-Y811 VanDerWaalsContact O-CE2 3.31Å; K542-Y811 WeakPolarHBondContact O-CE2 3.4Å; K542-Y811 PolarHBondContact O-OH 3.3Å; K542-Y811 VanDerWaalsContact O-OH 3.06Å
543	D	93.1	Very high	90.8	Very high	68 Å²	68	62 Å²	62	36%	0.364	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-76.8	156.1	166.1	-66.7	-51.3	0	0	0	110.7	D729 K803 Y807	D543-D729 HydrophobicContact CB-CB 3.83Å; D543-K803 IonicContact OD1-NZ 3.93Å; D543-K803 PolarHBondContact OD1-NZ 3.04Å; D543-Y807 WeakPolarHBondContact OD1-CE1 3.43Å; D543-Y807 VanDerWaalsContact OD1-CZ 3.32Å; D543-Y807 PolarHBondContact OD1-OH 2.79Å
544	E	94.8	Very high	89.9	Confident	57 Å²	57	61.3 Å²	61.3	27%	0.266	33%	0.333	S	S	.	.	B	Isolated β-bridge	trans	-87	127.7	172.2	-72.5	-66.4	175.2	0	0	110.1	A546 L726 P727 W728 D729 Y811	E544-A546 PolarHBondContact O-N 2.81Å; E544-L726 HydrophobicContact CB-CB 4.45Å; E544-L726 HydrophobicContact CG-CB 4.28Å; E544-L726 HydrophobicContact CG-CD2 4.22Å; E544-P727 HydrophobicContact CG-CG 4.17Å; E544-P727 PolarHBondContact N-O 2.83Å; E544-W728 HydrophobicContact CB-CE3 3.86Å; E544-W728 HydrophobicContact CB-CZ3 4.1Å; E544-W728 CarbonylContact O-C 3.58Å; E544-W728 WeakPolarHBondContact O-CA 3.13Å; E544-D729 PolarHBondContact O-N 2.91Å; E544-Y811 WeakPolarHBondContact CG-OH 3.38Å; E544-Y811 PolarHBondContact OE1-OH 2.78Å
545	P	95.2	Very high	88.6	Confident	69 Å²	69	69.1 Å²	69.1	45%	0.448	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-72.7	117.9	-177.2	28.7	-33.3	0	0	0	111.2	H547 W728	P545-H547 PolarHBondContact O-N 3.43Å; P545-H547 PolarHBondContact O-ND1 3.25Å; P545-W728 WeakPolarHBondContact O-CZ3 3.49Å
546	A	93.8	Very high	87	Confident	21 Å²	21	67.7 Å²	67.7	17%	0.174	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-77.9	119.8	174.6	0	0	0	0	0	111.6	E544 E548 V714 W728 D729 V730	E544-A546 PolarHBondContact O-N 2.81Å; A546-E548 PolarHBondContact O-N 3.09Å; A546-V714 HydrophobicContact CB-CB 4.44Å; A546-V714 HydrophobicContact CB-CG1 3.83Å; A546-V714 HydrophobicContact CB-CG2 3.73Å; A546-W728 HydrophobicContact CB-CD2 4.46Å; A546-W728 HydrophobicContact CB-CE3 3.93Å; A546-D729 WeakPolarHBondContact CB-OD1 3.48Å; A546-D729 PolarHBondContact N-OD1 3.36Å; A546-V730 HydrophobicContact CB-CB 4.39Å; A546-V730 HydrophobicContact CB-CG1 3.77Å; A546-V730 HydrophobicContact CB-CG2 3.74Å
547	H	93.6	Very high	84.6	Confident	125 Å²	125	73 Å²	73	58%	0.579	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.1	100.8	171.9	-65.8	83	0	0	0	109.6	P545 R715	P545-H547 PolarHBondContact O-N 3.43Å; P545-H547 PolarHBondContact O-ND1 3.25Å; H547-R715 HydrophobicContact CB-CB 4.42Å; H547-R715 WeakPolarHBondContact O-CB 3.45Å; H547-R715 PolarHBondContact O-N 3.42Å
548	E	93.4	Very high	82.6	Confident	115 Å²	115	76 Å²	76	54%	0.537	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	136.1	-176	-170.5	176.1	-179	0	0	112.7	A546 V712 V713	A546-E548 PolarHBondContact O-N 3.09Å; E548-V712 HydrophobicContact CG-CG1 4.14Å; E548-V713 CarbonylContact C-O 3.52Å; E548-V713 VanDerWaalsContact CA-O 3.28Å; E548-V713 WeakPolarHBondContact CA-O 3.38Å
549	I	90.7	Very high	80.3	Confident	24 Å²	24	78.6 Å²	78.6	12%	0.123	46%	0.455	C	S	.	.	P	Polyproline II helix	trans	-90.9	118.3	169.6	-54.6	-179	0	0	0	108.3	H551 W692 P698 V713 R715	I549-H551 PolarHBondContact O-N 3.5Å; I549-H551 PolarHBondContact O-ND1 2.98Å; I549-W692 HydrophobicContact CD1-CB 4.07Å; I549-W692 HydrophobicContact CD1-CG 4.01Å; I549-P698 HydrophobicContact CG2-CG 4.25Å; I549-V713 HydrophobicContact CB-CB 4.21Å; I549-V713 HydrophobicContact CB-CG1 4.08Å; I549-V713 HydrophobicContact CD1-CG1 4.13Å; I549-V713 HydrophobicContact CG1-CG1 4.37Å; I549-V713 PolarHBondContact N-O 2.92Å; I549-R715 HydrophobicContact CD1-CB 3.9Å; I549-R715 HydrophobicContact CD1-CG 4.32Å; I549-R715 HydrophobicContact CG1-CB 3.78Å
550	P	88.7	Confident	78.1	Confident	122 Å²	122	82.5 Å²	82.5	79%	0.792	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-60	136.4	175.1	-22.1	33	0	0	0	111.3
551	H	86.5	Confident	75.9	Confident	56 Å²	56	84.5 Å²	84.5	26%	0.259	49%	0.493	S	S	.	.			trans	-145.7	161.1	-179.4	60.6	-78.7	0	0	0	111.6	I549 W704 I711	I549-H551 PolarHBondContact O-N 3.5Å; I549-H551 PolarHBondContact O-ND1 2.98Å; H551-W704 HydrophobicContact CB-CD2 4.36Å; H551-W704 HydrophobicContact CB-CG 4.19Å; H551-W704 AromaticContact CD2-CD1 3.89Å; H551-W704 AromaticContact CD2-CD2 3.83Å; H551-W704 AromaticContact CD2-CG 3.58Å; H551-I711 PolarHBondContact CE1-O 3.27Å; H551-I711 PolarHBondContact NE2-O 2.9Å
552	K	84.1	Confident	73.6	Confident	151 Å²	151	90 Å²	90	66%	0.657	52%	0.522	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.8	122.4	179.1	-65.6	175.5	-172.1	160.7	0	109.9	W704	K552-W704 PolarHBondContact O-N 3.45Å
553	A	80.9	Confident	71.4	Confident	68 Å²	68	88.5 Å²	88.5	56%	0.562	52%	0.521	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.9	145.3	170.9	0	0	0	0	0	111.1	W704	A553-W704 CarbonylContact C-O 3.59Å; A553-W704 VanDerWaalsContact CA-O 3.32Å; A553-W704 WeakPolarHBondContact CA-O 3.26Å
554	G	72.7	Confident	69.4	Low	17 Å²	17	86.4 Å²	86.4	18%	0.175	51%	0.514	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.5	171.7	172.6	0	0	0	0	0	113.6	W704	G554-W704 PolarHBondContact N-O 3Å
555	K	64.1	Low	67.1	Low	169 Å²	169	89.6 Å²	89.6	74%	0.735	53%	0.532	S	S	*	.			trans	-91.8	120.1	177.3	-67.8	-174.4	177.2	-174.5	0	110	A557	K555-A557 PolarHBondContact O-N 3.19Å
556	L	57	Low	64.9	Low	86 Å²	86	90.2 Å²	90.2	45%	0.45	53%	0.532	S	S	.	.			trans	-64.9	129.7	169.6	-85.8	138.5	0	0	0	109.8	G558 T559 L703	L556-G558 PolarHBondContact O-N 2.92Å; L556-T559 HydrophobicContact CB-CG2 3.7Å; L556-T559 PolarHBondContact O-N 2.72Å; L556-T559 PolarHBondContact O-OG1 3.43Å; L556-L703 HydrophobicContact CG-CD2 4.46Å
557	A	39	Very low	62.8	Low	112 Å²	112	90.5 Å²	90.5	93%	0.926	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	112.6	177.6	0	0	0	0	0	110	K555	K555-A557 PolarHBondContact O-N 3.19Å
558	G	48.5	Very low	61	Low	81 Å²	81	91.8 Å²	91.8	84%	0.835	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	112.7	7.3	-179.8	0	0	0	0	0	115.5	L556 D560	L556-G558 PolarHBondContact O-N 2.92Å; G558-D560 PolarHBondContact O-N 2.65Å
559	T	44.7	Very low	59.5	Low	62 Å²	62	87.2 Å²	87.2	38%	0.38	53%	0.527	S	S	.	.			trans	-73.2	106.9	176.2	41.7	0	0	0	0	110.7	L556 A561 E677	L556-T559 HydrophobicContact CB-CG2 3.7Å; L556-T559 PolarHBondContact O-N 2.72Å; L556-T559 PolarHBondContact O-OG1 3.43Å; T559-A561 PolarHBondContact O-N 2.95Å; T559-E677 WeakPolarHBondContact CG2-OE1 3.29Å
560	D	43.7	Very low	58.3	Low	109 Å²	109	89.8 Å²	89.8	58%	0.583	54%	0.541	S	S	*	.			trans	-67.6	118.6	170.4	-126.4	-20.8	0	0	0	107.7	G558 N562 L563	G558-D560 PolarHBondContact O-N 2.65Å; D560-N562 PolarHBondContact O-N 3.31Å; D560-L563 HydrophobicContact CB-CD1 4.27Å; D560-L563 PolarHBondContact O-N 2.88Å; D560-L563 VanDerWaalsContact O-N 3.1Å
561	A	44.8	Very low	57.3	Low	89 Å²	89	84.7 Å²	84.7	74%	0.736	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-3.6	177.1	0	0	0	0	0	113.5	T559	T559-A561 PolarHBondContact O-N 2.95Å
562	N	44.3	Very low	56.2	Low	131 Å²	131	82.1 Å²	82.1	70%	0.701	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.3	8.2	-179.8	-63.5	-36.6	0	0	0	114.2	D560 A564	D560-N562 PolarHBondContact O-N 3.31Å; N562-A564 VanDerWaalsContact C-N 3.28Å; N562-A564 PolarHBondContact O-N 3.42Å
563	L	46.6	Very low	55	Low	126 Å²	126	77.3 Å²	77.3	66%	0.66	48%	0.48	S	S	*	.			trans	-72	-20.1	176	-100.4	144.9	0	0	0	113.7	D560 D565	D560-L563 HydrophobicContact CB-CD1 4.27Å; D560-L563 PolarHBondContact O-N 2.88Å; D560-L563 VanDerWaalsContact O-N 3.1Å; L563-D565 PolarHBondContact O-N 3.44Å
564	A	49.7	Very low	53.9	Low	25 Å²	25	78.3 Å²	78.3	21%	0.207	48%	0.479	C	S	.	.	S	Bend	trans	-70	108.6	158.9	0	0	0	0	0	107	N562 N566	N562-A564 VanDerWaalsContact C-N 3.28Å; N562-A564 PolarHBondContact O-N 3.42Å; A564-N566 PolarHBondContact O-N 2.68Å
565	D	46.5	Very low	53	Low	124 Å²	124	79.4 Å²	79.4	66%	0.663	48%	0.48	S	S	*	.			trans	-63.5	64.9	171.1	-175.8	24.7	0	0	0	109.9	L563 G567	L563-D565 PolarHBondContact O-N 3.44Å; D565-G567 PolarHBondContact O-N 3.07Å
566	N	49.5	Very low	52.2	Low	81 Å²	81	78 Å²	78	43%	0.433	49%	0.485	S	S	.	.			trans	-82.2	67	175.5	-69.3	-23.3	0	0	0	106.2	A564 D568 H747	A564-N566 PolarHBondContact O-N 2.68Å; N566-D568 VanDerWaalsContact C-N 3.32Å; N566-D568 PolarHBondContact O-N 3.3Å; N566-H747 PolarHBondContact OD1-ND1 3.49Å
567	G	50.3	Low	52.3	Low	27 Å²	27	76.2 Å²	76.2	28%	0.278	48%	0.475	S	S	.	.			trans	-59.2	90	-179.6	0	0	0	0	0	111.9	D565 L569	D565-G567 PolarHBondContact O-N 3.07Å; G567-L569 WeakPolarHBondContact O-CB 3.3Å; G567-L569 VanDerWaalsContact O-CG 3.23Å; G567-L569 WeakPolarHBondContact O-CG 3.47Å; G567-L569 PolarHBondContact O-N 2.64Å
568	D	54.6	Low	53.6	Low	152 Å²	152	72.2 Å²	72.2	81%	0.813	44%	0.439	S	S	*	.	S	Bend	trans	38.1	33.8	176.5	-71.1	-22.1	0	0	0	115.3	N566 K913	N566-D568 VanDerWaalsContact C-N 3.32Å; N566-D568 PolarHBondContact O-N 3.3Å; D568-K913 VanDerWaalsContact CB-NZ 3.32Å; D568-K913 PolarHBondContact O-NZ 2.82Å
569	L	61.7	Low	55.1	Low	20 Å²	20	70.9 Å²	70.9	11%	0.105	42%	0.416	C	S	.	.			trans	-118.6	109	-174.6	-80.3	169.4	0	0	0	108.8	G567 L571 K913 F914	G567-L569 WeakPolarHBondContact O-CB 3.3Å; G567-L569 VanDerWaalsContact O-CG 3.23Å; G567-L569 WeakPolarHBondContact O-CG 3.47Å; G567-L569 PolarHBondContact O-N 2.64Å; L569-L571 HydrophobicContact CB-CD2 4.36Å; L569-L571 HydrophobicContact CB-CG 4.45Å; L569-L571 PolarHBondContact O-N 3.19Å; L569-K913 HydrophobicContact CD1-CB 4.07Å; L569-K913 HydrophobicContact CD1-CD 4.3Å; L569-K913 HydrophobicContact CD1-CG 4.37Å; L569-K913 HydrophobicContact CD2-CB 4.41Å; L569-K913 HydrophobicContact CD2-CD 3.87Å; L569-K913 HydrophobicContact CD2-CG 3.88Å; L569-K913 HydrophobicContact CG-CD 3.95Å; L569-K913 HydrophobicContact CG-CG 4.32Å; L569-F914 HydrophobicContact CD1-CD2 4.49Å
570	D	66.1	Low	56.9	Low	77 Å²	77	70.1 Å²	70.1	41%	0.412	41%	0.406	S	S	.	.			trans	-67.7	111.7	165	-174.8	-7.3	0	0	0	107	G572 Q647	D570-G572 VanDerWaalsContact C-N 3.29Å; D570-G572 PolarHBondContact OD1-N 3.2Å; D570-G572 VanDerWaalsContact OD1-N 3.12Å; D570-Q647 WeakPolarHBondContact O-CB 3.42Å; D570-Q647 VanDerWaalsContact O-CD 3.28Å; D570-Q647 WeakPolarHBondContact O-CG 3.42Å
571	L	67.9	Low	58.9	Low	15 Å²	15	67.3 Å²	67.3	8%	0.079	40%	0.398	C	S	.	.			trans	-97	14	-178.9	-67.8	175	0	0	0	112	L569 Q647 P683 H747 D748 M751 F912	L569-L571 HydrophobicContact CB-CD2 4.36Å; L569-L571 HydrophobicContact CB-CG 4.45Å; L569-L571 PolarHBondContact O-N 3.19Å; L571-Q647 CarbonylContact C-O 3.55Å; L571-P683 HydrophobicContact CB-CG 4.07Å; L571-H747 HydrophobicContact CD1-CB 3.52Å; L571-D748 HydrophobicContact CD1-CB 4.07Å; L571-D748 HydrophobicContact CD2-CB 3.93Å; L571-M751 HydrophobicContact CB-CG 4.3Å; L571-M751 HydrophobicContact CD1-CG 4.47Å; L571-F912 HydrophobicContact CD2-CD1 4.41Å; L571-F912 HydrophobicContact CD2-CE1 4.18Å
572	G	63.5	Low	60.9	Low	2 Å²	2	63.5 Å²	63.5	2%	0.021	37%	0.366	C	S	.	.	S	Bend	trans	111.4	169.6	-168.6	0	0	0	0	0	110.3	D570 V574 Q647	D570-G572 VanDerWaalsContact C-N 3.29Å; D570-G572 PolarHBondContact OD1-N 3.2Å; D570-G572 VanDerWaalsContact OD1-N 3.12Å; G572-V574 PolarHBondContact O-N 3.48Å; G572-Q647 VanDerWaalsContact CA-O 3.23Å; G572-Q647 WeakPolarHBondContact CA-O 3.15Å; G572-Q647 PolarHBondContact N-O 2.78Å; G572-Q647 VanDerWaalsContact N-O 3.08Å
573	P	59.9	Low	62.8	Low	50 Å²	50	59.4 Å²	59.4	33%	0.325	35%	0.346	S	S	.	.			trans	-57.2	117.9	175.4	24.6	-32.5	0	0	0	109.1	E575 A648	P573-E575 VanDerWaalsContact C-N 3.26Å; P573-E575 WeakPolarHBondContact O-CG 3.22Å; P573-E575 PolarHBondContact O-N 3.48Å; P573-A648 VanDerWaalsContact CD-O 3.28Å; P573-A648 WeakPolarHBondContact CD-O 3.44Å
574	V	57.2	Low	64.7	Low	89 Å²	89	55.8 Å²	55.8	54%	0.539	33%	0.331	S	S	.	.			trans	-62.1	99.5	158.6	-179.3	0	0	0	0	104.2	G572 T576 G681 P683	G572-V574 PolarHBondContact O-N 3.48Å; V574-T576 PolarHBondContact O-N 3Å; V574-T576 VanDerWaalsContact O-N 3.12Å; V574-G681 WeakPolarHBondContact CG2-O 3.19Å; V574-P683 HydrophobicContact CG2-CG 4.36Å
575	E	52.8	Low	66.3	Low	41 Å²	41	56.2 Å²	56.2	19%	0.192	33%	0.328	C	S	.	.			trans	-61.1	122.1	-151.9	-71.8	-159.6	138.4	0	0	111.4	P573 E577 R633 Q658	P573-E575 VanDerWaalsContact C-N 3.26Å; P573-E575 WeakPolarHBondContact O-CG 3.22Å; P573-E575 PolarHBondContact O-N 3.48Å; E575-E577 HydrophobicContact CB-CB 4.11Å; E575-E577 PolarHBondContact O-N 2.85Å; E575-R633 IonicContact OE1-CZ 2.68Å; E575-R633 IonicContact OE1-NH1 3.46Å; E575-R633 PolarHBondContact OE1-NH1 3.49Å; E575-Q658 PolarHBondContact OE2-NE2 2.71Å
576	T	48.8	Very low	67.9	Low	139 Å²	139	54.5 Å²	54.5	85%	0.853	32%	0.319	S	S	*	.	S	Bend	trans	-72.4	9.6	156.1	37.7	0	0	0	0	111.3	V574	V574-T576 PolarHBondContact O-N 3Å; V574-T576 VanDerWaalsContact O-N 3.12Å
577	E	57.9	Low	69.4	Low	49 Å²	49	53.1 Å²	53.1	23%	0.229	31%	0.308	C	S	.	.	S	Bend	trans	-110.3	138.3	-175.9	-59.1	-169.7	-176.6	0	0	110.7	Y136 E575 R633	Y136-E577 WeakPolarHBondContact CE2-OE2 3.36Å; E575-E577 HydrophobicContact CB-CB 4.11Å; E575-E577 PolarHBondContact O-N 2.85Å; E577-R633 IonicContact OE1-CZ 3.76Å; E577-R633 IonicContact OE1-NH1 2.91Å; E577-R633 IonicContact OE1-NH2 3.71Å; E577-R633 PolarHBondContact OE1-NH2 2.86Å; E577-R633 IonicContact OE2-CZ 3.8Å; E577-R633 IonicContact OE2-NH1 3.19Å; E577-R633 IonicContact OE2-NH2 2.81Å; E577-R633 PolarHBondContact OE2-NH2 2.85Å
578	P	67.2	Low	70.8	Confident	28 Å²	28	53 Å²	53	18%	0.182	30%	0.3	C	S	.	.			trans	-69.7	149.9	-178.8	28.2	-34	0	0	0	111.6	E133 Y136 Y580	E133-P578 HydrophobicContact CG-CG 4.33Å; Y136-P578 HydrophobicContact CD1-CG 4.32Å; Y136-P578 HydrophobicContact CE1-CG 4.4Å; P578-Y580 PolarHBondContact O-N 3.11Å
579	P	80	Confident	72.1	Confident	52 Å²	52	49.3 Å²	49.3	34%	0.338	28%	0.278	S	S	.	.			trans	-50.2	136	170.4	-28.3	36.1	0	0	0	112.3	N686 L709	P579-N686 WeakPolarHBondContact CB-O 3.38Å; P579-N686 WeakPolarHBondContact CG-O 3.24Å; P579-L709 HydrophobicContact CG-CD2 3.69Å
580	Y	80.9	Confident	73	Confident	46 Å²	46	51.9 Å²	51.9	18%	0.18	29%	0.294	C	S	.	.			trans	-131.6	145.4	175.3	68.7	-86.1	0	0	0	111.8	P578 R656 E657 Q658 N686	P578-Y580 PolarHBondContact O-N 3.11Å; Y580-R656 WeakPolarHBondContact OH-CB 3.05Å; Y580-R656 PolarHBondContact OH-O 2.95Å; Y580-E657 VanDerWaalsContact OH-C 3.29Å; Y580-E657 WeakPolarHBondContact OH-CA 3.5Å; Y580-E657 PolarHBondContact OH-N 2.65Å; Y580-Q658 HydrophobicContact CD1-CG 4.3Å; Y580-Q658 HydrophobicContact CE1-CG 3.61Å; Y580-Q658 PolarHBondContact O-OE1 2.78Å; Y580-N686 PolarHBondContact N-ND2 2.85Å; Y580-N686 PolarHBondContact O-ND2 3.33Å
581	A	85.8	Confident	73.7	Confident	50 Å²	50	50.2 Å²	50.2	41%	0.413	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-73.6	143.8	178.4	0	0	0	0	0	111.7	E732	A581-E732 HydrophobicContact CB-CB 3.77Å; A581-E732 HydrophobicContact CB-CG 4.42Å
582	S	88	Confident	74.3	Confident	10 Å²	10	50.1 Å²	50.1	7%	0.07	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-61.6	136.2	166.7	-72.9	0	0	0	0	109.5	C584 E732 T733 E734	S582-C584 PolarHBondContact O-N 2.98Å; S582-E732 WeakPolarHBondContact CB-O 3.25Å; S582-E732 PolarHBondContact N-O 3.45Å; S582-T733 WeakPolarHBondContact OG-CA 3.46Å; S582-E734 PolarHBondContact OG-N 2.71Å; S582-E734 VanDerWaalsContact OG-N 3.13Å
583	P	82.9	Confident	75.2	Confident	44 Å²	44	52.5 Å²	52.5	29%	0.286	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-61.1	131.2	176.1	-21.3	32.1	0	0	0	111.4	L586 H612	P583-L586 HydrophobicContact CB-CD1 3.95Å; P583-L586 HydrophobicContact CB-CD2 3.77Å; P583-L586 HydrophobicContact CB-CG 3.92Å; P583-H612 PolarHBondContact O-CE1 2.94Å; P583-H612 PolarHBondContact O-ND1 3.17Å
584	C	86.8	Confident	76.5	Confident	50 Å²	50	53.7 Å²	53.7	34%	0.338	32%	0.316	S	S	.	.			trans	-104.2	154.4	179.9	60.7	0	0	0	0	112.1	S582 L586 P611	S582-C584 PolarHBondContact O-N 2.98Å; C584-L586 PolarHBondContact O-N 3.27Å; C584-L586 VanDerWaalsContact O-N 3.1Å; C584-P611 HydrophobicContact CB-CB 3.94Å
585	F	84.8	Confident	77.9	Confident	34 Å²	34	51.3 Å²	51.3	15%	0.149	30%	0.3	C	S	.	.			trans	57.2	24.5	174.2	-52.6	-70.5	0	0	0	115.9	P540 R587 N588 L609 P611	P540-F585 HydrophobicContact CB-CE1 4.09Å; P540-F585 HydrophobicContact CB-CZ 3.98Å; P540-F585 HydrophobicContact CG-CE1 4.44Å; P540-F585 HydrophobicContact CG-CZ 4.45Å; F585-R587 PolarHBondContact O-N 3.47Å; F585-N588 HydrophobicContact CB-CB 4.41Å; F585-N588 PolarHBondContact O-N 3.14Å; F585-L609 HydrophobicContact CD1-CD2 3.75Å; F585-L609 HydrophobicContact CD1-CG 3.86Å; F585-L609 HydrophobicContact CE1-CD2 4.07Å; F585-L609 HydrophobicContact CE1-CG 3.99Å; F585-P611 HydrophobicContact CE1-CB 4Å; F585-P611 HydrophobicContact CE2-CB 4.15Å; F585-P611 HydrophobicContact CZ-CB 3.79Å; F585-P611 PolarHBondContact N-O 3.42Å
586	L	79.4	Confident	79.7	Confident	89 Å²	89	50.8 Å²	50.8	47%	0.466	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-24.1	-179.9	-68.7	-178.1	0	0	0	114.1	L147 P583 C584	L147-L586 HydrophobicContact CD1-CD2 4.02Å; P583-L586 HydrophobicContact CB-CD1 3.95Å; P583-L586 HydrophobicContact CB-CD2 3.77Å; P583-L586 HydrophobicContact CB-CG 3.92Å; C584-L586 PolarHBondContact O-N 3.27Å; C584-L586 VanDerWaalsContact O-N 3.1Å
587	R	79.8	Confident	81.8	Confident	51 Å²	51	49 Å²	49	19%	0.192	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.7	19.2	-174.3	-62.1	-176	68.1	-138.3	-4	114.1	F585 F589 T590 Y591 D595 D616 P617	F585-R587 PolarHBondContact O-N 3.47Å; R587-F589 VanDerWaalsContact C-N 3.35Å; R587-F589 PolarHBondContact O-N 2.83Å; R587-T590 WeakPolarHBondContact CA-OG1 3.49Å; R587-T590 WeakPolarHBondContact CB-OG1 3.39Å; R587-T590 PolarHBondContact O-N 3.08Å; R587-T590 PolarHBondContact O-OG1 2.97Å; R587-Y591 WeakPolarHBondContact O-CA 3.48Å; R587-Y591 WeakPolarHBondContact O-CB 3.47Å; R587-Y591 PolarHBondContact O-N 3.02Å; R587-D595 IonicContact CZ-OD2 2.76Å; R587-D595 IonicContact NH1-OD2 2.95Å; R587-D595 PolarHBondContact NH1-OD2 3.34Å; R587-D595 IonicContact NH2-OD2 3.3Å; R587-D595 PolarHBondContact NH2-OD2 3.19Å; R587-D616 WeakPolarHBondContact CD-OD1 3.5Å; R587-D616 IonicContact CZ-OD1 3.63Å; R587-D616 IonicContact NH1-OD1 2.7Å; R587-D616 PolarHBondContact NH1-OD1 3.26Å; R587-D616 VanDerWaalsContact NH1-OD1 3.08Å; R587-P617 VanDerWaalsContact CZ-CD 3.42Å
588	N	80.2	Confident	83.3	Confident	24 Å²	24	51.5 Å²	51.5	13%	0.128	29%	0.286	C	S	.	.	H	α-helix	trans	-50.4	-45.2	-175.7	59.4	-3.9	0	0	0	115.3	F585 T592 L609	F585-N588 HydrophobicContact CB-CB 4.41Å; F585-N588 PolarHBondContact O-N 3.14Å; N588-T592 PolarHBondContact O-OG1 3.15Å; N588-L609 HydrophobicContact CB-CD1 4.15Å; N588-L609 HydrophobicContact CB-CD2 3.78Å
589	F	81.4	Confident	84.5	Confident	76 Å²	76	50.6 Å²	50.6	33%	0.333	28%	0.28	S	S	.	.	H	α-helix	trans	-80.4	-42.5	178.6	-62.7	-64.9	0	0	0	112.8	P150 L184 P537 R587 T592 A593	P150-F589 HydrophobicContact CG-CE2 4.3Å; P150-F589 HydrophobicContact CG-CZ 4.04Å; L184-F589 HydrophobicContact CB-CE1 3.96Å; P537-F589 HydrophobicContact CG-CD1 3.69Å; P537-F589 HydrophobicContact CG-CE1 3.73Å; R587-F589 VanDerWaalsContact C-N 3.35Å; R587-F589 PolarHBondContact O-N 2.83Å; F589-T592 PolarHBondContact O-N 3.04Å; F589-A593 PolarHBondContact O-N 2.79Å; F589-A593 VanDerWaalsContact O-N 3.09Å
590	T	81.9	Confident	85.3	Confident	74 Å²	74	48.1 Å²	48.1	45%	0.454	26%	0.264	S	S	.	.	H	α-helix	trans	-70	-33.8	-179.3	52.4	0	0	0	0	111.9	R587 A593 A594	R587-T590 WeakPolarHBondContact CA-OG1 3.49Å; R587-T590 WeakPolarHBondContact CB-OG1 3.39Å; R587-T590 PolarHBondContact O-N 3.08Å; R587-T590 PolarHBondContact O-OG1 2.97Å; T590-A593 PolarHBondContact O-N 3.1Å; T590-A594 WeakPolarHBondContact O-CA 3.48Å; T590-A594 WeakPolarHBondContact O-CB 3.27Å; T590-A594 PolarHBondContact O-N 3.29Å
591	Y	81.4	Confident	86	Confident	42 Å²	42	46 Å²	46	17%	0.165	26%	0.255	C	S	.	.	H	α-helix	trans	-62.3	-44.4	173.1	-172.3	-94.5	0	0	0	111.1	R587 A593 D595 T613	R587-Y591 WeakPolarHBondContact O-CA 3.48Å; R587-Y591 WeakPolarHBondContact O-CB 3.47Å; R587-Y591 PolarHBondContact O-N 3.02Å; Y591-A593 PolarHBondContact O-N 2.88Å; Y591-D595 HydrophobicContact CD2-CB 4.04Å; Y591-D595 HydrophobicContact CE2-CB 4.28Å; Y591-D595 HydrophobicContact CG-CB 4.43Å; Y591-D595 WeakPolarHBondContact O-CA 3.45Å; Y591-D595 WeakPolarHBondContact O-CB 3.44Å; Y591-D595 PolarHBondContact O-N 3.37Å; Y591-D595 VanDerWaalsContact O-N 3.13Å; Y591-T613 HydrophobicContact CE2-CG2 4.46Å
592	T	80.2	Confident	86.3	Confident	12 Å²	12	49.9 Å²	49.9	7%	0.074	26%	0.259	C	S	.	.	H	α-helix	trans	-66.9	-36.4	179.4	-55.3	0	0	0	0	112.3	P537 N588 F589 T596	P537-T592 WeakPolarHBondContact CA-OG1 3.46Å; N588-T592 PolarHBondContact O-OG1 3.15Å; F589-T592 PolarHBondContact O-N 3.04Å; T592-T596 PolarHBondContact O-OG1 3.48Å
593	A	82.4	Confident	86.5	Confident	52 Å²	52	50.8 Å²	50.8	43%	0.43	27%	0.267	S	S	.	.	H	α-helix	trans	-92.5	-36.3	-175.7	0	0	0	0	0	114.9	F589 T590 Y591 T596	F589-A593 PolarHBondContact O-N 2.79Å; F589-A593 VanDerWaalsContact O-N 3.09Å; T590-A593 PolarHBondContact O-N 3.1Å; Y591-A593 PolarHBondContact O-N 2.88Å; A593-T596 PolarHBondContact O-OG1 2.94Å
594	A	85.9	Confident	87	Confident	76 Å²	76	49.6 Å²	49.6	63%	0.628	26%	0.26	S	S	*	.	H	α-helix	trans	-101	-32.5	-174.1	0	0	0	0	0	113.1	T590	T590-A594 WeakPolarHBondContact O-CA 3.48Å; T590-A594 WeakPolarHBondContact O-CB 3.27Å; T590-A594 PolarHBondContact O-N 3.29Å
595	D	87.1	Confident	87.3	Confident	39 Å²	39	47.5 Å²	47.5	21%	0.209	25%	0.246	C	C	.	.	S	Bend	trans	-98.2	18.2	-177.9	-70.8	-46.6	0	0	0	112.8	R587 Y591 Y597 R598 S599	R587-D595 IonicContact CZ-OD2 2.76Å; R587-D595 IonicContact NH1-OD2 2.95Å; R587-D595 PolarHBondContact NH1-OD2 3.34Å; R587-D595 IonicContact NH2-OD2 3.3Å; R587-D595 PolarHBondContact NH2-OD2 3.19Å; Y591-D595 HydrophobicContact CD2-CB 4.04Å; Y591-D595 HydrophobicContact CE2-CB 4.28Å; Y591-D595 HydrophobicContact CG-CB 4.43Å; Y591-D595 WeakPolarHBondContact O-CA 3.45Å; Y591-D595 WeakPolarHBondContact O-CB 3.44Å; Y591-D595 PolarHBondContact O-N 3.37Å; Y591-D595 VanDerWaalsContact O-N 3.13Å; D595-Y597 VanDerWaalsContact C-N 3.34Å; D595-Y597 PolarHBondContact O-N 3.37Å; D595-R598 PolarHBondContact O-N 2.99Å; D595-S599 PolarHBondContact O-N 2.94Å; D595-S599 PolarHBondContact O-OG 2.95Å
596	T	90.9	Very high	87.7	Confident	30 Å²	30	46.2 Å²	46.2	18%	0.184	24%	0.242	C	C	.	.	H	α-helix	trans	-51.3	-49.6	-178.2	-50.2	0	0	0	0	112.2	F471 T532 T592 A593 R598 S599 W600	F471-T596 HydrophobicContact CD1-CG2 3.97Å; F471-T596 HydrophobicContact CE1-CG2 4.24Å; T532-T596 HydrophobicContact CG2-CG2 3.52Å; T592-T596 PolarHBondContact O-OG1 3.48Å; A593-T596 PolarHBondContact O-OG1 2.94Å; T596-R598 VanDerWaalsContact C-N 3.32Å; T596-R598 PolarHBondContact O-N 2.82Å; T596-S599 WeakPolarHBondContact CA-OG 3.06Å; T596-S599 PolarHBondContact O-N 3.42Å; T596-S599 PolarHBondContact O-OG 3.05Å; T596-W600 PolarHBondContact O-N 2.97Å; T596-W600 VanDerWaalsContact O-N 3.1Å
597	Y	92	Very high	88.4	Confident	101 Å²	101	43.7 Å²	43.7	40%	0.396	23%	0.227	S	C	.	.	H	α-helix	trans	-56.6	-45.5	178.5	164.7	-103	0	0	0	112.1	R473 E476 D595 N601	R473-Y597 HydrophobicContact CB-CE2 4.03Å; R473-Y597 HydrophobicContact CG-CE2 4.44Å; R473-Y597 PolarHBondContact NH1-OH 3.42Å; E476-Y597 PolarHBondContact OE1-OH 3.21Å; D595-Y597 VanDerWaalsContact C-N 3.34Å; D595-Y597 PolarHBondContact O-N 3.37Å; Y597-N601 HydrophobicContact CD2-CB 4.47Å; Y597-N601 WeakPolarHBondContact CD2-ND2 3.42Å; Y597-N601 HydrophobicContact CE2-CB 4.15Å; Y597-N601 WeakPolarHBondContact O-CB 3.45Å; Y597-N601 PolarHBondContact O-N 2.91Å; Y597-N601 PolarHBondContact O-ND2 2.89Å
598	R	91.1	Very high	89	Confident	102 Å²	102	44.5 Å²	44.5	39%	0.385	23%	0.233	S	C	.	.	H	α-helix	trans	-66.9	-45.4	-179.4	-172.2	-179.8	-170.7	153	11	111.3	D595 T596 W600 N601 R602	D595-R598 PolarHBondContact O-N 2.99Å; T596-R598 VanDerWaalsContact C-N 3.32Å; T596-R598 PolarHBondContact O-N 2.82Å; R598-W600 VanDerWaalsContact C-N 3.26Å; R598-W600 PolarHBondContact O-N 3.18Å; R598-N601 PolarHBondContact O-N 3.41Å; R598-R602 HydrophobicContact CG-CB 4.4Å; R598-R602 HydrophobicContact CG-CG 4.04Å; R598-R602 WeakPolarHBondContact O-CB 3.35Å; R598-R602 PolarHBondContact O-N 2.77Å
599	S	92.3	Very high	89.5	Confident	9 Å²	9	43.8 Å²	43.8	6%	0.063	23%	0.229	C	C	.	.	H	α-helix	trans	-60.9	-33.5	-179.3	68	0	0	0	0	113	D595 T596 G605 P606	D595-S599 PolarHBondContact O-N 2.94Å; D595-S599 PolarHBondContact O-OG 2.95Å; T596-S599 WeakPolarHBondContact CA-OG 3.06Å; T596-S599 PolarHBondContact O-N 3.42Å; T596-S599 PolarHBondContact O-OG 3.05Å; S599-G605 CarbonylContact O-C 3.56Å; S599-G605 VanDerWaalsContact O-CA 3.22Å; S599-G605 WeakPolarHBondContact O-CA 3.3Å; S599-P606 WeakPolarHBondContact O-CD 3.02Å
600	W	95.3	Very high	90	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-89.7	-22.1	179.8	-80.3	82.8	0	0	0	114.3	F471 I472 Y515 T525 A528 S529 T532 T596 R598 P606	F471-W600 HydrophobicContact CB-CB 4.09Å; F471-W600 HydrophobicContact CB-CD2 3.34Å; F471-W600 HydrophobicContact CB-CE3 3.55Å; F471-W600 HydrophobicContact CB-CG 3.6Å; F471-W600 HydrophobicContact CB-CZ2 4.4Å; F471-W600 HydrophobicContact CB-CZ3 4.16Å; F471-W600 HydrophobicContact CD2-CD2 4.12Å; F471-W600 AromaticContact CD2-CE2 3.71Å; F471-W600 HydrophobicContact CD2-CE3 4.3Å; F471-W600 AromaticContact CD2-CH2 3.8Å; F471-W600 HydrophobicContact CD2-CH2 3.8Å; F471-W600 AromaticContact CD2-CZ2 3.56Å; F471-W600 HydrophobicContact CD2-CZ2 3.56Å; F471-W600 HydrophobicContact CD2-CZ3 4.13Å; F471-W600 HydrophobicContact CE2-CZ2 4.08Å; F471-W600 AromaticContact CG-CD2 3.87Å; F471-W600 HydrophobicContact CG-CD2 3.87Å; F471-W600 AromaticContact CG-CE2 3.75Å; F471-W600 HydrophobicContact CG-CE3 4.27Å; F471-W600 HydrophobicContact CG-CG 4.26Å; F471-W600 HydrophobicContact CG-CZ2 4.1Å; I472-W600 HydrophobicContact CG1-CE3 4.23Å; Y515-W600 HydrophobicContact CD1-CZ3 4.42Å; Y515-W600 AromaticContact CE1-CE3 3.99Å; Y515-W600 HydrophobicContact CE1-CE3 3.99Å; Y515-W600 HydrophobicContact CE1-CZ3 4.06Å; Y515-W600 WeakPolarHBondContact CE2-O 3.46Å; Y515-W600 VanDerWaalsContact OH-CA 3.3Å; Y515-W600 WeakPolarHBondContact OH-CA 3.27Å; Y515-W600 PolarHBondContact OH-O 2.98Å; T525-W600 HydrophobicContact CG2-CH2 3.98Å; T525-W600 HydrophobicContact CG2-CZ3 3.72Å; A528-W600 HydrophobicContact CB-CH2 4.12Å; A528-W600 HydrophobicContact CB-CZ2 3.99Å; S529-W600 WeakPolarHBondContact OG-CH2 3.46Å; T532-W600 PolarHBondContact OG1-NE1 3.47Å; T596-W600 PolarHBondContact O-N 2.97Å; T596-W600 VanDerWaalsContact O-N 3.1Å; R598-W600 VanDerWaalsContact C-N 3.26Å; R598-W600 PolarHBondContact O-N 3.18Å; W600-P606 HydrophobicContact CD2-CB 4.42Å; W600-P606 HydrophobicContact CD2-CG 3.87Å; W600-P606 HydrophobicContact CE3-CG 4.31Å; W600-P606 HydrophobicContact CG-CB 4.4Å; W600-P606 HydrophobicContact CG-CG 4.24Å; W600-P606 HydrophobicContact CH2-CG 4.37Å; W600-P606 HydrophobicContact CZ2-CG 3.96Å
601	N	95.6	Very high	90.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-114.8	6.5	-173.4	-62.2	-79.9	0	0	0	113.8	F471 R473 Q507 Y597 R598	F471-N601 PolarHBondContact O-ND2 3.4Å; R473-N601 PolarHBondContact N-OD1 2.95Å; Q507-N601 PolarHBondContact NE2-O 3.34Å; Y597-N601 HydrophobicContact CD2-CB 4.47Å; Y597-N601 WeakPolarHBondContact CD2-ND2 3.42Å; Y597-N601 HydrophobicContact CE2-CB 4.15Å; Y597-N601 WeakPolarHBondContact O-CB 3.45Å; Y597-N601 PolarHBondContact O-N 2.91Å; Y597-N601 PolarHBondContact O-ND2 2.89Å; R598-N601 PolarHBondContact O-N 3.41Å
602	R	93.8	Very high	90.7	Very high	132 Å²	132	36.3 Å²	36.3	50%	0.498	19%	0.192	S	C	.	.	S	Bend	trans	-134.8	146.5	175	-57.8	-66.7	-179.1	-172.4	-4	110.4	F510 R598 G605	F510-R602 VanDerWaalsContact CZ-C 3.42Å; F510-R602 WeakPolarHBondContact CZ-O 3.22Å; R598-R602 HydrophobicContact CG-CB 4.4Å; R598-R602 HydrophobicContact CG-CG 4.04Å; R598-R602 WeakPolarHBondContact O-CB 3.35Å; R598-R602 PolarHBondContact O-N 2.77Å; R602-G605 PolarHBondContact O-N 2.85Å; R602-G605 VanDerWaalsContact O-N 3.13Å
603	A	91.6	Very high	91.2	Very high	29 Å²	29	36.3 Å²	36.3	24%	0.24	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	142.5	173.9	0	0	0	0	0	111.6	F510 I839	F510-A603 HydrophobicContact CD2-CB 4.04Å; F510-A603 VanDerWaalsContact CE2-CA 3.47Å; F510-A603 HydrophobicContact CE2-CB 3.96Å; A603-I839 HydrophobicContact CB-CD1 3.44Å; A603-I839 VanDerWaalsContact CB-CD1 3.44Å
604	P	92.7	Very high	91.6	Very high	20 Å²	20	34.4 Å²	34.4	13%	0.13	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	cis	-91.1	6.1	10.1	38	-40.2	0	0	0	115.4	F610 Y804 L808 V812	P604-F610 HydrophobicContact CG-CE2 3.84Å; P604-F610 HydrophobicContact CG-CZ 3.77Å; P604-Y804 WeakPolarHBondContact CD-OH 3.47Å; P604-L808 HydrophobicContact CB-CD2 4Å; P604-L808 HydrophobicContact CG-CD2 3.82Å; P604-V812 HydrophobicContact CB-CB 4.46Å; P604-V812 HydrophobicContact CB-CG1 3.79Å; P604-V812 HydrophobicContact CB-CG2 3.87Å
605	G	93.4	Very high	91.7	Very high	5 Å²	5	33.5 Å²	33.5	5%	0.052	16%	0.16	C	C	.	.			trans	96.3	179	-171.7	0	0	0	0	0	113.5	S599 R602 F607	S599-G605 CarbonylContact O-C 3.56Å; S599-G605 VanDerWaalsContact O-CA 3.22Å; S599-G605 WeakPolarHBondContact O-CA 3.3Å; R602-G605 PolarHBondContact O-N 2.85Å; R602-G605 VanDerWaalsContact O-N 3.13Å; G605-F607 VanDerWaalsContact C-N 3.32Å; G605-F607 PolarHBondContact O-N 3.14Å
606	P	93.9	Very high	91.6	Very high	8 Å²	8	34.1 Å²	34.1	5%	0.052	16%	0.163	C	C	.	.	S	Bend	trans	-87.1	10.6	-167.7	35.8	-38.4	0	0	0	114	Y515 A528 R531 S599 W600	Y515-P606 HydrophobicContact CE1-CG 4.3Å; Y515-P606 WeakPolarHBondContact OH-CD 3.23Å; A528-P606 HydrophobicContact CB-CG 4.14Å; R531-P606 PolarHBondContact NH2-O 2.95Å; S599-P606 WeakPolarHBondContact O-CD 3.02Å; W600-P606 HydrophobicContact CD2-CB 4.42Å; W600-P606 HydrophobicContact CD2-CG 3.87Å; W600-P606 HydrophobicContact CE3-CG 4.31Å; W600-P606 HydrophobicContact CG-CB 4.4Å; W600-P606 HydrophobicContact CG-CG 4.24Å; W600-P606 HydrophobicContact CH2-CG 4.37Å; W600-P606 HydrophobicContact CZ2-CG 3.96Å
607	F	93.5	Very high	91.3	Very high	35 Å²	35	37 Å²	37	15%	0.154	18%	0.183	C	C	.	.	S	Bend	trans	-79.4	-25.1	-163.5	-53.8	-60.3	0	0	0	115.5	T514 Y515 N524 A528 G605	T514-F607 HydrophobicContact CG2-CE2 3.52Å; T514-F607 HydrophobicContact CG2-CZ 4.11Å; T514-F607 WeakPolarHBondContact O-CZ 3.42Å; Y515-F607 AromaticContact CD1-CZ 3.87Å; Y515-F607 HydrophobicContact CD1-CZ 3.87Å; Y515-F607 HydrophobicContact CE1-CE2 4.39Å; Y515-F607 AromaticContact CE1-CZ 3.83Å; Y515-F607 HydrophobicContact CE1-CZ 3.83Å; N524-F607 HydrophobicContact CB-CD1 4.11Å; N524-F607 HydrophobicContact CB-CE1 3.9Å; A528-F607 HydrophobicContact CB-CD1 4.12Å; A528-F607 HydrophobicContact CB-CE1 4.12Å; G605-F607 VanDerWaalsContact C-N 3.32Å; G605-F607 PolarHBondContact O-N 3.14Å
608	H	92.1	Very high	90.9	Very high	68 Å²	68	36.3 Å²	36.3	32%	0.315	19%	0.189	S	C	.	.			trans	-127.2	144.2	-174.9	-62.8	-66.5	0	0	0	112	I541 F610	I541-H608 HydrophobicContact CB-CB 4.21Å; I541-H608 HydrophobicContact CD1-CB 4.34Å; H608-F610 HydrophobicContact CB-CE2 4.14Å; H608-F610 HydrophobicContact CB-CZ 4.24Å
609	L	90.8	Very high	90.5	Very high	10 Å²	10	35 Å²	35	5%	0.052	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-94.5	117	168.6	177.2	66.6	0	0	0	109	P537 A538 A539 P540 I541 F585 N588	P537-L609 HydrophobicContact CB-CD2 4.29Å; A538-L609 HydrophobicContact CB-CB 4.14Å; A538-L609 VanDerWaalsContact O-CB 3.27Å; A538-L609 WeakPolarHBondContact O-CB 3.47Å; A539-L609 PolarHBondContact O-N 2.67Å; P540-L609 WeakPolarHBondContact CA-O 3.04Å; I541-L609 PolarHBondContact N-O 3.26Å; F585-L609 HydrophobicContact CD1-CD2 3.75Å; F585-L609 HydrophobicContact CD1-CG 3.86Å; F585-L609 HydrophobicContact CE1-CD2 4.07Å; F585-L609 HydrophobicContact CE1-CG 3.99Å; N588-L609 HydrophobicContact CB-CD1 4.15Å; N588-L609 HydrophobicContact CB-CD2 3.78Å
610	F	91.4	Very high	90.1	Very high	9 Å²	9	38 Å²	38	4%	0.039	21%	0.208	C	C	.	.			trans	-86.5	142.5	177.8	-63.9	-90.4	0	0	0	110.7	I541 P604 H608 H612 T613 Y804 Y807 L808	I541-F610 HydrophobicContact CD1-CD1 4.26Å; I541-F610 HydrophobicContact CD1-CE1 3.59Å; I541-F610 HydrophobicContact CD1-CZ 4.11Å; I541-F610 HydrophobicContact CG2-CD1 3.93Å; I541-F610 HydrophobicContact CG2-CE1 4.37Å; P604-F610 HydrophobicContact CG-CE2 3.84Å; P604-F610 HydrophobicContact CG-CZ 3.77Å; H608-F610 HydrophobicContact CB-CE2 4.14Å; H608-F610 HydrophobicContact CB-CZ 4.24Å; F610-H612 VanDerWaalsContact C-N 3.29Å; F610-H612 PolarHBondContact O-N 3.2Å; F610-T613 HydrophobicContact CB-CG2 4.29Å; F610-Y804 HydrophobicContact CB-CD2 4.15Å; F610-Y804 HydrophobicContact CB-CE2 4.29Å; F610-Y804 AromaticContact CD1-CD2 3.71Å; F610-Y804 HydrophobicContact CD1-CD2 3.71Å; F610-Y804 AromaticContact CD1-CE2 3.71Å; F610-Y804 HydrophobicContact CD1-CE2 3.71Å; F610-Y804 HydrophobicContact CD2-CD2 4.38Å; F610-Y804 AromaticContact CD2-CE2 3.73Å; F610-Y804 HydrophobicContact CD2-CE2 3.73Å; F610-Y804 HydrophobicContact CE1-CD2 4.2Å; F610-Y804 AromaticContact CE1-CE2 3.89Å; F610-Y804 HydrophobicContact CE1-CE2 3.89Å; F610-Y804 AromaticContact CE2-CE2 3.93Å; F610-Y804 HydrophobicContact CE2-CE2 3.93Å; F610-Y804 AromaticContact CG-CD2 3.81Å; F610-Y804 HydrophobicContact CG-CD2 3.81Å; F610-Y804 AromaticContact CG-CE2 3.62Å; F610-Y804 HydrophobicContact CG-CE2 3.62Å; F610-Y804 HydrophobicContact CZ-CE2 4.02Å; F610-Y807 HydrophobicContact CD1-CD2 4.26Å; F610-Y807 HydrophobicContact CD1-CG 4.3Å; F610-Y807 HydrophobicContact CE1-CG 4.41Å; F610-L808 HydrophobicContact CE1-CD2 4.08Å; F610-L808 HydrophobicContact CZ-CD2 3.92Å
611	P	89.8	Confident	89.6	Confident	13 Å²	13	41.1 Å²	41.1	8%	0.084	23%	0.23	C	C	.	.	S	Bend	trans	-65.6	-34	177.2	23.4	-31.3	0	0	0	112.5	C584 F585 Y807	C584-P611 HydrophobicContact CB-CB 3.94Å; F585-P611 HydrophobicContact CE1-CB 4Å; F585-P611 HydrophobicContact CE2-CB 4.15Å; F585-P611 HydrophobicContact CZ-CB 3.79Å; F585-P611 PolarHBondContact N-O 3.42Å; P611-Y807 HydrophobicContact CG-CE2 3.95Å; P611-Y807 WeakPolarHBondContact CG-OH 3.39Å
612	H	88.1	Confident	89	Confident	12 Å²	12	45.8 Å²	45.8	6%	0.056	25%	0.252	C	S	.	.			trans	-137.3	146.7	178.8	-48.2	-84.2	0	0	0	110	P583 F610 E734	P583-H612 PolarHBondContact O-CE1 2.94Å; P583-H612 PolarHBondContact O-ND1 3.17Å; F610-H612 VanDerWaalsContact C-N 3.29Å; F610-H612 PolarHBondContact O-N 3.2Å; H612-E734 HydrophobicContact CB-CG 3.83Å; H612-E734 WeakPolarHBondContact ND1-CG 3.47Å; H612-E734 IonicContact ND1-OE1 2.81Å
613	T	90.6	Very high	88.4	Confident	13 Å²	13	40.1 Å²	40.1	8%	0.08	23%	0.233	C	C	.	.			trans	-131.1	142.2	172.2	82.8	0	0	0	0	110.8	Y591 F610 L615 D616	Y591-T613 HydrophobicContact CE2-CG2 4.46Å; F610-T613 HydrophobicContact CB-CG2 4.29Å; T613-L615 PolarHBondContact O-N 3.1Å; T613-D616 PolarHBondContact OG1-OD1 3.42Å
614	P	92.3	Very high	87.8	Confident	11 Å²	11	40.8 Å²	40.8	7%	0.071	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	8.8	-179.4	28	-31.3	0	0	0	113.3	R761 D762 H802 Y804	P614-R761 HydrophobicContact CB-CB 4Å; P614-R761 WeakPolarHBondContact CB-O 3.32Å; P614-D762 HydrophobicContact CB-CB 4.37Å; P614-H802 HydrophobicContact CB-CB 4.29Å; P614-Y804 HydrophobicContact CG-CD1 3.88Å; P614-Y804 HydrophobicContact CG-CE1 4.46Å; P614-Y804 HydrophobicContact CG-CG 4.3Å
615	L	87.8	Confident	87.1	Confident	58 Å²	58	44.6 Å²	44.6	30%	0.304	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.4	8.8	-163.4	-61.3	165.2	0	0	0	111.9	T613 D762	T613-L615 PolarHBondContact O-N 3.1Å; L615-D762 HydrophobicContact CD2-CB 4.5Å
616	D	85.4	Confident	86.2	Confident	51 Å²	51	51.4 Å²	51.4	27%	0.273	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-64.7	139.6	179.4	-72.6	-25.3	0	0	0	111	R587 T613 V618	R587-D616 WeakPolarHBondContact CD-OD1 3.5Å; R587-D616 IonicContact CZ-OD1 3.63Å; R587-D616 IonicContact NH1-OD1 2.7Å; R587-D616 PolarHBondContact NH1-OD1 3.26Å; R587-D616 VanDerWaalsContact NH1-OD1 3.08Å; T613-D616 PolarHBondContact OG1-OD1 3.42Å; D616-V618 PolarHBondContact O-N 3.45Å
617	P	84.5	Confident	84.6	Confident	92 Å²	92	54.3 Å²	54.3	60%	0.597	31%	0.311	S	S	*	.	P	Polyproline II helix	trans	-64.7	134.4	-176	26.1	-34.6	0	0	0	110.3	R587	R587-P617 VanDerWaalsContact CZ-CD 3.42Å
618	V	83.8	Confident	82.8	Confident	85 Å²	85	54.8 Å²	54.8	52%	0.515	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-90.8	137	-179.5	-179.7	0	0	0	0	109.5	D616 N653 V654	D616-V618 PolarHBondContact O-N 3.45Å; V618-N653 HydrophobicContact CG1-CB 3.29Å; V618-V654 HydrophobicContact CG1-CG2 4.31Å; V618-V654 HydrophobicContact CG2-CG2 4.42Å
619	L	81.4	Confident	80.9	Confident	75 Å²	75	52.9 Å²	52.9	39%	0.393	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-70.1	151.3	177.8	-70.5	173.2	0	0	0	111.5	A623 F632	L619-A623 HydrophobicContact CB-CB 3.85Å; L619-A623 HydrophobicContact CD1-CB 4.3Å; L619-F632 HydrophobicContact CD1-CE2 4.02Å; L619-F632 HydrophobicContact CD1-CZ 4.14Å
620	P	84.9	Confident	79.2	Confident	72 Å²	72	55.5 Å²	55.5	47%	0.468	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-56.2	154.4	169.6	-25	34.9	0	0	0	112.7	E622 A623	P620-E622 VanDerWaalsContact CB-CD 3.41Å; P620-E622 HydrophobicContact CB-CG 4.4Å; P620-E622 WeakPolarHBondContact CB-OE1 3.36Å; P620-E622 VanDerWaalsContact CB-OE2 3.25Å; P620-E622 WeakPolarHBondContact CB-OE2 3.46Å; P620-E622 PolarHBondContact O-N 3.27Å; P620-A623 WeakPolarHBondContact O-CB 3.46Å; P620-A623 PolarHBondContact O-N 3.38Å
621	S	83.4	Confident	78	Confident	65 Å²	65	55.9 Å²	55.9	46%	0.455	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-25	-172.2	65.2	0	0	0	0	114.6	A623 K624 N653	S621-A623 VanDerWaalsContact C-N 3.33Å; S621-K624 WeakPolarHBondContact O-CD 3.31Å; S621-K624 WeakPolarHBondContact O-CE 3.32Å; S621-K624 WeakPolarHBondContact O-CG 3.43Å; S621-N653 WeakPolarHBondContact CA-OD1 3.38Å
622	E	83	Confident	77.2	Confident	98 Å²	98	56 Å²	56	46%	0.458	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-19.6	177.6	63.9	-86.7	-157	0	0	113	P620 K624 F625 L626	P620-E622 VanDerWaalsContact CB-CD 3.41Å; P620-E622 HydrophobicContact CB-CG 4.4Å; P620-E622 WeakPolarHBondContact CB-OE1 3.36Å; P620-E622 VanDerWaalsContact CB-OE2 3.25Å; P620-E622 WeakPolarHBondContact CB-OE2 3.46Å; P620-E622 PolarHBondContact O-N 3.27Å; E622-K624 VanDerWaalsContact C-N 3.25Å; E622-K624 PolarHBondContact O-N 2.83Å; E622-F625 PolarHBondContact O-N 3.41Å; E622-L626 HydrophobicContact CB-CD1 4.09Å; E622-L626 HydrophobicContact CG-CD1 4.22Å; E622-L626 PolarHBondContact O-N 3.18Å; E622-L626 VanDerWaalsContact O-N 3.11Å
623	A	81.5	Confident	76.5	Confident	14 Å²	14	57.8 Å²	57.8	12%	0.116	35%	0.346	C	S	.	.	H	α-helix	trans	-61.2	-37.2	-172.4	0	0	0	0	0	111.4	L619 P620 S621 F625 L626 S628	L619-A623 HydrophobicContact CB-CB 3.85Å; L619-A623 HydrophobicContact CD1-CB 4.3Å; P620-A623 WeakPolarHBondContact O-CB 3.46Å; P620-A623 PolarHBondContact O-N 3.38Å; S621-A623 VanDerWaalsContact C-N 3.33Å; A623-F625 PolarHBondContact O-N 3.49Å; A623-L626 PolarHBondContact O-N 2.97Å; A623-S628 WeakPolarHBondContact CA-OG 3.48Å; A623-S628 WeakPolarHBondContact CB-OG 3.46Å; A623-S628 PolarHBondContact O-N 3.1Å; A623-S628 PolarHBondContact O-OG 3.41Å
624	K	78.9	Confident	75.7	Confident	43 Å²	43	59 Å²	59	19%	0.187	35%	0.354	C	S	.	.	H	α-helix	trans	-61.6	-13.5	174.8	72	-164	174.7	-159.4	0	115.1	S621 E622 F632 P634 G652	S621-K624 WeakPolarHBondContact O-CD 3.31Å; S621-K624 WeakPolarHBondContact O-CE 3.32Å; S621-K624 WeakPolarHBondContact O-CG 3.43Å; E622-K624 VanDerWaalsContact C-N 3.25Å; E622-K624 PolarHBondContact O-N 2.83Å; K624-F632 HydrophobicContact CB-CB 3.78Å; K624-F632 HydrophobicContact CB-CD1 3.52Å; K624-F632 HydrophobicContact CB-CD2 4.21Å; K624-F632 HydrophobicContact CB-CE1 4.1Å; K624-F632 HydrophobicContact CB-CG 3.56Å; K624-P634 HydrophobicContact CG-CB 4.41Å; K624-G652 PolarHBondContact NZ-O 2.94Å
625	F	78.4	Confident	75.1	Confident	100 Å²	100	60.1 Å²	60.1	44%	0.439	36%	0.359	S	S	.	.	H	α-helix	trans	-110.7	-34.7	179.3	-54	-69.8	0	0	0	113.2	E622 A623 P634	E622-F625 PolarHBondContact O-N 3.41Å; A623-F625 PolarHBondContact O-N 3.49Å; F625-P634 HydrophobicContact CD1-CB 3.95Å; F625-P634 HydrophobicContact CD1-CG 4.3Å; F625-P634 HydrophobicContact CE1-CB 3.28Å; F625-P634 HydrophobicContact CE1-CG 4.07Å; F625-P634 HydrophobicContact CZ-CB 3.97Å
626	L	74.4	Confident	74.5	Confident	147 Å²	147	58.9 Å²	58.9	77%	0.77	36%	0.361	S	S	*	.	H	α-helix	trans	-98.5	14	-167.8	-63.6	178.3	0	0	0	114.9	E622 A623	E622-L626 HydrophobicContact CB-CD1 4.09Å; E622-L626 HydrophobicContact CG-CD1 4.22Å; E622-L626 PolarHBondContact O-N 3.18Å; E622-L626 VanDerWaalsContact O-N 3.11Å; A623-L626 PolarHBondContact O-N 2.97Å
627	G	60	Low	74	Confident	69 Å²	69	59.3 Å²	59.3	71%	0.711	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	116	1.4	167.5	0	0	0	0	0	116.8	G629	G627-G629 PolarHBondContact O-N 2.79Å
628	S	56.8	Low	73.5	Confident	45 Å²	45	56.9 Å²	56.9	32%	0.315	37%	0.369	S	S	.	.			trans	-82.2	14.9	160.8	82	0	0	0	0	111.8	A623 T630	A623-S628 WeakPolarHBondContact CA-OG 3.48Å; A623-S628 WeakPolarHBondContact CB-OG 3.46Å; A623-S628 PolarHBondContact O-N 3.1Å; A623-S628 PolarHBondContact O-OG 3.41Å; S628-T630 VanDerWaalsContact C-N 3.33Å; S628-T630 PolarHBondContact O-N 2.03Å
629	G	51.8	Low	73	Confident	28 Å²	28	57.8 Å²	57.8	29%	0.289	38%	0.379	S	S	.	.			trans	-81.6	5.1	-155.5	0	0	0	0	0	116.3	G627 G631 F632	G627-G629 PolarHBondContact O-N 2.79Å; G629-G631 PolarHBondContact O-N 3.29Å; G629-F632 PolarHBondContact O-N 3.28Å; G629-F632 VanDerWaalsContact O-N 3.09Å
630	T	55.5	Low	72.3	Confident	66 Å²	66	57.3 Å²	57.3	41%	0.405	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	113.1	177.7	49.3	0	0	0	0	109.5	N143 S628	N143-T630 HydrophobicContact CB-CG2 3.72Å; S628-T630 VanDerWaalsContact C-N 3.33Å; S628-T630 PolarHBondContact O-N 2.03Å
631	G	65	Low	71.3	Confident	17 Å²	17	55.7 Å²	55.7	18%	0.175	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	91.1	-1.9	-177.3	0	0	0	0	0	114.7	G629 R656	G629-G631 PolarHBondContact O-N 3.29Å; G631-R656 VanDerWaalsContact O-CB 3.29Å; G631-R656 WeakPolarHBondContact O-CB 3.45Å; G631-R656 VanDerWaalsContact O-CD 3.24Å; G631-R656 WeakPolarHBondContact O-CD 3.49Å; G631-R656 WeakPolarHBondContact O-CG 3.43Å; G631-R656 PolarHBondContact O-N 2.86Å; G631-R656 PolarHBondContact O-NE 2.85Å
632	F	72.9	Confident	70.5	Confident	14 Å²	14	55.6 Å²	55.6	6%	0.061	39%	0.388	C	S	.	.			trans	-80.5	150	168.8	-77.5	-89.3	0	0	0	111.4	L619 K624 G629 V654 P655 R656	L619-F632 HydrophobicContact CD1-CE2 4.02Å; L619-F632 HydrophobicContact CD1-CZ 4.14Å; K624-F632 HydrophobicContact CB-CB 3.78Å; K624-F632 HydrophobicContact CB-CD1 3.52Å; K624-F632 HydrophobicContact CB-CD2 4.21Å; K624-F632 HydrophobicContact CB-CE1 4.1Å; K624-F632 HydrophobicContact CB-CG 3.56Å; G629-F632 PolarHBondContact O-N 3.28Å; G629-F632 VanDerWaalsContact O-N 3.09Å; F632-V654 WeakPolarHBondContact CE1-O 3.31Å; F632-P655 HydrophobicContact CD2-CG 4.3Å; F632-P655 HydrophobicContact CE2-CB 4.44Å; F632-P655 HydrophobicContact CE2-CG 3.71Å; F632-P655 HydrophobicContact CZ-CG 3.85Å; F632-R656 PolarHBondContact O-NH2 3.3Å
633	R	73.7	Confident	69.9	Low	50 Å²	50	51.3 Å²	51.3	19%	0.189	37%	0.37	C	S	.	.			trans	-122.7	83.9	164.7	-71	-173.1	180	147.3	15.2	108.1	E575 E577 I635 A649 R656	E575-R633 IonicContact OE1-CZ 2.68Å; E575-R633 IonicContact OE1-NH1 3.46Å; E575-R633 PolarHBondContact OE1-NH1 3.49Å; E577-R633 IonicContact OE1-CZ 3.76Å; E577-R633 IonicContact OE1-NH1 2.91Å; E577-R633 IonicContact OE1-NH2 3.71Å; E577-R633 PolarHBondContact OE1-NH2 2.86Å; E577-R633 IonicContact OE2-CZ 3.8Å; E577-R633 IonicContact OE2-NH1 3.19Å; E577-R633 IonicContact OE2-NH2 2.81Å; E577-R633 PolarHBondContact OE2-NH2 2.85Å; R633-I635 PolarHBondContact O-N 3.17Å; R633-A649 HydrophobicContact CB-CB 4.2Å; R633-R656 HydrophobicContact CG-CG 4.02Å; R633-R656 VanDerWaalsContact CG-NE 3.29Å
634	P	74.9	Confident	69.6	Low	39 Å²	39	57.1 Å²	57.1	25%	0.253	39%	0.393	S	S	.	.			trans	-60.8	135.4	178	22.2	-30	0	0	0	110.7	K624 F625 G636 G637	K624-P634 HydrophobicContact CG-CB 4.41Å; F625-P634 HydrophobicContact CD1-CB 3.95Å; F625-P634 HydrophobicContact CD1-CG 4.3Å; F625-P634 HydrophobicContact CE1-CB 3.28Å; F625-P634 HydrophobicContact CE1-CG 4.07Å; F625-P634 HydrophobicContact CZ-CB 3.97Å; P634-G636 PolarHBondContact O-N 2.91Å; P634-G637 PolarHBondContact O-N 3.26Å; P634-G637 VanDerWaalsContact O-N 3.11Å
635	I	78.4	Confident	69.5	Low	34 Å²	34	58.6 Å²	58.6	17%	0.174	40%	0.4	C	S	.	.	G	3₁₀ helix	trans	-58.3	123.8	176.1	-68.4	159.5	0	0	0	109.1	R633 G637 G638 E645 F646 A649	R633-I635 PolarHBondContact O-N 3.17Å; I635-G637 PolarHBondContact O-N 3.3Å; I635-G637 VanDerWaalsContact O-N 3.13Å; I635-G638 PolarHBondContact O-N 3.43Å; I635-G638 VanDerWaalsContact O-N 3.11Å; I635-E645 HydrophobicContact CG2-CB 4.13Å; I635-F646 HydrophobicContact CD1-CD2 3.44Å; I635-F646 VanDerWaalsContact CD1-CD2 3.44Å; I635-F646 HydrophobicContact CD1-CE2 3.68Å; I635-F646 HydrophobicContact CD1-CG 4.31Å; I635-F646 HydrophobicContact CG1-CD2 4.44Å; I635-F646 HydrophobicContact CG2-CB 4.43Å; I635-A649 HydrophobicContact CG1-CB 4.36Å
636	G	75.6	Confident	69.4	Low	32 Å²	32	57.3 Å²	57.3	33%	0.33	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	56.7	24.8	-179.1	0	0	0	0	0	114.4	P634 G638 S639	P634-G636 PolarHBondContact O-N 2.91Å; G636-G638 PolarHBondContact O-N 3.42Å; G636-S639 PolarHBondContact O-N 3.06Å; G636-S639 PolarHBondContact O-OG 3.47Å
637	G	75.2	Confident	69.4	Low	61 Å²	61	51 Å²	51	63%	0.629	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	64	12.6	-177	0	0	0	0	0	114.6	P634 I635	P634-G637 PolarHBondContact O-N 3.26Å; P634-G637 VanDerWaalsContact O-N 3.11Å; I635-G637 PolarHBondContact O-N 3.3Å; I635-G637 VanDerWaalsContact O-N 3.13Å
638	G	73.8	Confident	70.1	Confident	41 Å²	41	49.9 Å²	49.9	42%	0.423	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	96.4	-2.5	-177.8	0	0	0	0	0	115.6	I635 G636 G640	I635-G638 PolarHBondContact O-N 3.43Å; I635-G638 VanDerWaalsContact O-N 3.11Å; G636-G638 PolarHBondContact O-N 3.42Å; G638-G640 PolarHBondContact O-N 3.11Å
639	S	73.8	Confident	71	Confident	104 Å²	104	48.1 Å²	48.1	73%	0.727	33%	0.333	S	S	*	.	S	Bend	trans	-76.9	16	-179.1	69.1	0	0	0	0	114.9	G636	G636-S639 PolarHBondContact O-N 3.06Å; G636-S639 PolarHBondContact O-OG 3.47Å
640	G	66.9	Low	72.3	Confident	65 Å²	65	47.4 Å²	47.4	67%	0.67	32%	0.323	S	S	*	.			trans	70	99.5	-171	0	0	0	0	0	111.5	G638	G638-G640 PolarHBondContact O-N 3.11Å
641	G	62.6	Low	73.2	Confident	37 Å²	37	44.8 Å²	44.8	38%	0.381	31%	0.309	S	S	.	.			trans	-82.2	145.6	-178.1	0	0	0	0	0	113.8
642	S	67.1	Low	73.8	Confident	63 Å²	63	45.5 Å²	45.5	44%	0.441	32%	0.316	S	S	.	.			trans	-91.8	-174.4	165.7	84.7	0	0	0	0	110.6	K644 E645 F646	S642-K644 PolarHBondContact O-N 3.24Å; S642-K644 VanDerWaalsContact O-N 3.13Å; S642-E645 VanDerWaalsContact CA-OE2 3.22Å; S642-E645 WeakPolarHBondContact CA-OE2 3.47Å; S642-E645 WeakPolarHBondContact CB-OE2 2.98Å; S642-E645 PolarHBondContact N-OE2 3.23Å; S642-E645 PolarHBondContact O-N 3.43Å; S642-E645 VanDerWaalsContact O-N 3.13Å; S642-E645 PolarHBondContact OG-OE2 3Å; S642-F646 WeakPolarHBondContact O-CB 3.47Å; S642-F646 PolarHBondContact O-N 2.64Å
643	G	71.4	Confident	74	Confident	9 Å²	9	47.9 Å²	47.9	9%	0.093	33%	0.33	C	S	.	.	H	α-helix	trans	-52.1	-37.6	-176.8	0	0	0	0	0	114.1	Q647	G643-Q647 WeakPolarHBondContact O-CB 3.13Å; G643-Q647 VanDerWaalsContact O-CG 3.24Å; G643-Q647 WeakPolarHBondContact O-CG 3.49Å; G643-Q647 PolarHBondContact O-N 2.94Å
644	K	74.4	Confident	74.2	Confident	136 Å²	136	46.9 Å²	46.9	59%	0.591	33%	0.329	S	S	*	.	H	α-helix	trans	-70.6	-44.2	178.3	-171.5	-178.3	179	-177.5	0	112.8	S642 F646 Q647 A648	S642-K644 PolarHBondContact O-N 3.24Å; S642-K644 VanDerWaalsContact O-N 3.13Å; K644-F646 VanDerWaalsContact C-N 3.32Å; K644-F646 PolarHBondContact O-N 3.05Å; K644-Q647 WeakPolarHBondContact O-CB 3.46Å; K644-Q647 PolarHBondContact O-N 3.19Å; K644-A648 PolarHBondContact O-N 3.12Å
645	E	76.1	Confident	74.3	Confident	73 Å²	73	47.1 Å²	47.1	34%	0.341	33%	0.331	S	S	.	.	H	α-helix	trans	-69.2	-33.7	177.4	-63.8	76.2	-165.1	0	0	111.5	I635 S642 Q647 A648	I635-E645 HydrophobicContact CG2-CB 4.13Å; S642-E645 VanDerWaalsContact CA-OE2 3.22Å; S642-E645 WeakPolarHBondContact CA-OE2 3.47Å; S642-E645 WeakPolarHBondContact CB-OE2 2.98Å; S642-E645 PolarHBondContact N-OE2 3.23Å; S642-E645 PolarHBondContact O-N 3.43Å; S642-E645 VanDerWaalsContact O-N 3.13Å; S642-E645 PolarHBondContact OG-OE2 3Å; E645-Q647 VanDerWaalsContact C-N 3.33Å; E645-A648 PolarHBondContact O-N 3.07Å
646	F	76.9	Confident	74.2	Confident	73 Å²	73	49.2 Å²	49.2	32%	0.32	34%	0.336	S	S	.	.	H	α-helix	trans	-67.8	-35.4	175.3	-171.5	-84.2	0	0	0	112	I635 S642 K644 R755 C911	I635-F646 HydrophobicContact CD1-CD2 3.44Å; I635-F646 VanDerWaalsContact CD1-CD2 3.44Å; I635-F646 HydrophobicContact CD1-CE2 3.68Å; I635-F646 HydrophobicContact CD1-CG 4.31Å; I635-F646 HydrophobicContact CG1-CD2 4.44Å; I635-F646 HydrophobicContact CG2-CB 4.43Å; S642-F646 WeakPolarHBondContact O-CB 3.47Å; S642-F646 PolarHBondContact O-N 2.64Å; K644-F646 VanDerWaalsContact C-N 3.32Å; K644-F646 PolarHBondContact O-N 3.05Å; F646-R755 PolarHBondContact O-NH1 3.31Å; F646-R755 PolarHBondContact O-NH2 2.58Å; F646-C911 HydrophobicContact CD1-CB 3.75Å; F646-C911 WeakPolarHBondContact CD1-SG 3.08Å; F646-C911 HydrophobicContact CE1-CB 4.32Å
647	Q	75.3	Confident	74.7	Confident	16 Å²	16	48.2 Å²	48.2	8%	0.075	32%	0.323	C	S	.	.	H	α-helix	trans	-61.5	-43.6	173.1	-89.9	170.8	-4.9	0	0	112	D570 L571 G572 G643 K644 E645 A649 K910 C911	D570-Q647 WeakPolarHBondContact O-CB 3.42Å; D570-Q647 VanDerWaalsContact O-CD 3.28Å; D570-Q647 WeakPolarHBondContact O-CG 3.42Å; L571-Q647 CarbonylContact C-O 3.55Å; G572-Q647 VanDerWaalsContact CA-O 3.23Å; G572-Q647 WeakPolarHBondContact CA-O 3.15Å; G572-Q647 PolarHBondContact N-O 2.78Å; G572-Q647 VanDerWaalsContact N-O 3.08Å; G643-Q647 WeakPolarHBondContact O-CB 3.13Å; G643-Q647 VanDerWaalsContact O-CG 3.24Å; G643-Q647 WeakPolarHBondContact O-CG 3.49Å; G643-Q647 PolarHBondContact O-N 2.94Å; K644-Q647 WeakPolarHBondContact O-CB 3.46Å; K644-Q647 PolarHBondContact O-N 3.19Å; E645-Q647 VanDerWaalsContact C-N 3.33Å; Q647-A649 PolarHBondContact O-N 2.91Å; Q647-A649 VanDerWaalsContact O-N 3.11Å; Q647-K910 PolarHBondContact NE2-O 3.45Å; Q647-C911 PolarHBondContact NE2-O 3.43Å
648	A	74.1	Confident	75.4	Confident	44 Å²	44	45.4 Å²	45.4	36%	0.364	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-16	-177.2	0	0	0	0	0	115.5	P573 K644 E645	P573-A648 VanDerWaalsContact CD-O 3.28Å; P573-A648 WeakPolarHBondContact CD-O 3.44Å; K644-A648 PolarHBondContact O-N 3.12Å; E645-A648 PolarHBondContact O-N 3.07Å
649	A	75.9	Confident	76.4	Confident	8 Å²	8	43.5 Å²	43.5	7%	0.066	27%	0.274	C	S	.	.			trans	-147.1	147.5	-178.6	0	0	0	0	0	113.3	R633 I635 Q647 G651 R755	R633-A649 HydrophobicContact CB-CB 4.2Å; I635-A649 HydrophobicContact CG1-CB 4.36Å; Q647-A649 PolarHBondContact O-N 2.91Å; Q647-A649 VanDerWaalsContact O-N 3.11Å; A649-G651 PolarHBondContact O-N 3.5Å; A649-R755 PolarHBondContact O-NH1 3.31Å; A649-R755 PolarHBondContact O-NH2 3.39Å
650	L	78.1	Confident	77.5	Confident	14 Å²	14	38.5 Å²	38.5	7%	0.073	24%	0.239	C	C	.	.			trans	-61.7	-27.5	177.4	-65.9	173	0	0	0	113.9	Y684 M751 F754 R755 R758	L650-Y684 HydrophobicContact CD1-CD1 3.61Å; L650-Y684 HydrophobicContact CD1-CD2 4.45Å; L650-Y684 HydrophobicContact CD1-CE1 3.68Å; L650-Y684 HydrophobicContact CD1-CG 4Å; L650-Y684 HydrophobicContact CD2-CD1 4.39Å; L650-Y684 HydrophobicContact CD2-CD2 3.78Å; L650-Y684 HydrophobicContact CD2-CE1 4.26Å; L650-Y684 HydrophobicContact CD2-CE2 3.63Å; L650-Y684 HydrophobicContact CD2-CG 4.15Å; L650-Y684 HydrophobicContact CG-CD1 3.92Å; L650-Y684 HydrophobicContact CG-CD2 4.16Å; L650-Y684 HydrophobicContact CG-CE1 3.56Å; L650-Y684 HydrophobicContact CG-CE2 3.83Å; L650-Y684 HydrophobicContact CG-CG 4.19Å; L650-Y684 PolarHBondContact N-OH 3.22Å; L650-M751 HydrophobicContact CD2-CE 3.58Å; L650-F754 HydrophobicContact CD1-CD1 4.44Å; L650-F754 HydrophobicContact CD1-CE1 3.67Å; L650-F754 HydrophobicContact CD1-CZ 4.46Å; L650-F754 HydrophobicContact CD2-CD1 3.93Å; L650-F754 HydrophobicContact CD2-CE1 3.99Å; L650-R755 VanDerWaalsContact C-NH1 3.31Å; L650-R755 HydrophobicContact CD2-CG 4.25Å; L650-R755 PolarHBondContact O-NH1 3.23Å; L650-R758 VanDerWaalsContact CB-NH1 3.27Å; L650-R758 PolarHBondContact O-NH1 3.42Å
651	G	74.6	Confident	79	Confident	10 Å²	10	35.4 Å²	35.4	10%	0.103	21%	0.207	C	C	.	.			trans	63.3	-155.8	-175.5	0	0	0	0	0	113.3	A649 R758	A649-G651 PolarHBondContact O-N 3.5Å; G651-R758 PolarHBondContact O-NH1 3.01Å; G651-R758 PolarHBondContact O-NH2 2.91Å
652	G	77.9	Confident	80.7	Confident	33 Å²	33	33.8 Å²	33.8	34%	0.34	19%	0.19	S	C	.	.	S	Bend	trans	87.3	-171.9	178.8	0	0	0	0	0	115	K624	K624-G652 PolarHBondContact NZ-O 2.94Å
653	N	77.3	Confident	82.1	Confident	64 Å²	64	30.9 Å²	30.9	34%	0.342	17%	0.169	S	C	.	.	S	Bend	trans	-109.1	9.9	-177.2	-65.2	-20.9	0	0	0	112.9	V618 S621	V618-N653 HydrophobicContact CG1-CB 3.29Å; S621-N653 WeakPolarHBondContact CA-OD1 3.38Å
654	V	78.7	Confident	83.2	Confident	28 Å²	28	31.3 Å²	31.3	17%	0.17	17%	0.169	C	C	.	.	S	Bend	trans	-113.9	144.9	175.1	-169.1	0	0	0	0	108.8	V618 F632 R758 R761	V618-V654 HydrophobicContact CG1-CG2 4.31Å; V618-V654 HydrophobicContact CG2-CG2 4.42Å; F632-V654 WeakPolarHBondContact CE1-O 3.31Å; V654-R758 PolarHBondContact O-NH2 3.4Å; V654-R761 VanDerWaalsContact CG1-NH2 3.3Å
655	P	75.5	Confident	84.1	Confident	45 Å²	45	24.9 Å²	24.9	29%	0.292	14%	0.141	S	C	.	.			trans	-53.7	175	173.8	-26.9	35.5	0	0	0	113.6	F632 E657 R758	F632-P655 HydrophobicContact CD2-CG 4.3Å; F632-P655 HydrophobicContact CE2-CB 4.44Å; F632-P655 HydrophobicContact CE2-CG 3.71Å; F632-P655 HydrophobicContact CZ-CG 3.85Å; P655-E657 PolarHBondContact O-N 3.43Å; P655-R758 PolarHBondContact O-NH2 3.43Å; P655-R758 VanDerWaalsContact O-NH2 3.12Å
656	R	77.1	Confident	84.8	Confident	78 Å²	78	25.6 Å²	25.6	29%	0.294	14%	0.141	S	C	.	.			trans	-49.7	135.6	174.5	-78.4	158.2	-153.1	-151.8	-1.8	110.3	Y580 G631 F632 R633	Y580-R656 WeakPolarHBondContact OH-CB 3.05Å; Y580-R656 PolarHBondContact OH-O 2.95Å; G631-R656 VanDerWaalsContact O-CB 3.29Å; G631-R656 WeakPolarHBondContact O-CB 3.45Å; G631-R656 VanDerWaalsContact O-CD 3.24Å; G631-R656 WeakPolarHBondContact O-CD 3.49Å; G631-R656 WeakPolarHBondContact O-CG 3.43Å; G631-R656 PolarHBondContact O-N 2.86Å; G631-R656 PolarHBondContact O-NE 2.85Å; F632-R656 PolarHBondContact O-NH2 3.3Å; R633-R656 HydrophobicContact CG-CG 4.02Å; R633-R656 VanDerWaalsContact CG-NE 3.29Å
657	E	85.4	Confident	85.4	Confident	10 Å²	10	27.6 Å²	27.6	5%	0.047	15%	0.152	C	C	.	.			trans	-141.4	147.1	177.9	-70	170.2	120.9	0	0	110.5	Y580 P655 F754 R758 R761	Y580-E657 VanDerWaalsContact OH-C 3.29Å; Y580-E657 WeakPolarHBondContact OH-CA 3.5Å; Y580-E657 PolarHBondContact OH-N 2.65Å; P655-E657 PolarHBondContact O-N 3.43Å; E657-F754 HydrophobicContact CB-CZ 4.12Å; E657-R758 IonicContact OE2-CZ 3.55Å; E657-R758 IonicContact OE2-NE 3.45Å; E657-R758 PolarHBondContact OE2-NE 2.97Å; E657-R758 IonicContact OE2-NH2 3.16Å; E657-R758 PolarHBondContact OE2-NH2 3.11Å; E657-R761 IonicContact OE1-CZ 3.59Å; E657-R761 IonicContact OE1-NH1 2.89Å; E657-R761 PolarHBondContact OE1-NH1 3.27Å; E657-R761 IonicContact OE1-NH2 2.71Å; E657-R761 PolarHBondContact OE1-NH2 2.89Å; E657-R761 IonicContact OE2-CZ 3.77Å; E657-R761 IonicContact OE2-NH2 2.72Å; E657-R761 PolarHBondContact OE2-NH2 3.46Å
658	Q	90.4	Very high	85.9	Confident	3 Å²	3	29.7 Å²	29.7	1%	0.014	16%	0.159	C	C	.	.			trans	-117	168	168.4	-69.2	177	-24.1	0	0	109.2	E575 Y580 Y684 N686 T733	E575-Q658 PolarHBondContact OE2-NE2 2.71Å; Y580-Q658 HydrophobicContact CD1-CG 4.3Å; Y580-Q658 HydrophobicContact CE1-CG 3.61Å; Y580-Q658 PolarHBondContact O-OE1 2.78Å; Q658-Y684 VanDerWaalsContact CA-O 3.22Å; Q658-Y684 WeakPolarHBondContact CA-O 3.36Å; Q658-Y684 VanDerWaalsContact CB-O 3.24Å; Q658-Y684 WeakPolarHBondContact CB-O 3.39Å; Q658-N686 HydrophobicContact CB-CB 3.9Å; Q658-N686 PolarHBondContact OE1-ND2 3.46Å; Q658-T733 HydrophobicContact CB-CG2 4.32Å; Q658-T733 WeakPolarHBondContact O-CB 3.42Å
659	F	94.9	Very high	86.6	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	154.3	175.3	62.3	-88.3	0	0	0	111.3	V661 L682 Y684 L685 N686 A735 L737 I750 M751 F754 F800	F659-V661 HydrophobicContact CD2-CG2 4.2Å; F659-V661 HydrophobicContact CE2-CG2 3.93Å; F659-L682 HydrophobicContact CE2-CD2 4.05Å; F659-L682 HydrophobicContact CZ-CD2 3.79Å; F659-L682 HydrophobicContact CZ-CG 4.13Å; F659-Y684 WeakPolarHBondContact CD1-O 3.35Å; F659-Y684 PolarHBondContact N-O 3.26Å; F659-L685 HydrophobicContact CD2-CD1 4.24Å; F659-L685 HydrophobicContact CE2-CD1 3.91Å; F659-L685 HydrophobicContact CZ-CB 4.43Å; F659-N686 WeakPolarHBondContact O-CB 3.41Å; F659-N686 PolarHBondContact O-N 3.48Å; F659-A735 HydrophobicContact CB-CB 3.61Å; F659-L737 HydrophobicContact CD2-CB 4.05Å; F659-L737 HydrophobicContact CE2-CB 4.42Å; F659-L737 HydrophobicContact CE2-CD2 4.19Å; F659-I750 HydrophobicContact CE2-CG2 4.15Å; F659-I750 HydrophobicContact CZ-CG2 3.84Å; F659-M751 HydrophobicContact CE1-SD 4.34Å; F659-F754 HydrophobicContact CB-CD2 4.22Å; F659-F754 HydrophobicContact CB-CE2 3.94Å; F659-F754 HydrophobicContact CB-CZ 4.39Å; F659-F754 HydrophobicContact CD1-CB 4.47Å; F659-F754 AromaticContact CD1-CD1 3.74Å; F659-F754 HydrophobicContact CD1-CD1 3.74Å; F659-F754 AromaticContact CD1-CD2 3.86Å; F659-F754 HydrophobicContact CD1-CD2 3.86Å; F659-F754 AromaticContact CD1-CE1 3.81Å; F659-F754 HydrophobicContact CD1-CE1 3.81Å; F659-F754 AromaticContact CD1-CE2 3.95Å; F659-F754 HydrophobicContact CD1-CE2 3.95Å; F659-F754 AromaticContact CD1-CG 3.76Å; F659-F754 HydrophobicContact CD1-CG 3.76Å; F659-F754 AromaticContact CD1-CZ 3.92Å; F659-F754 HydrophobicContact CD1-CZ 3.92Å; F659-F754 AromaticContact CE1-CD1 3.99Å; F659-F754 HydrophobicContact CE1-CD1 3.99Å; F659-F754 HydrophobicContact CE1-CE1 4.36Å; F659-F754 HydrophobicContact CE1-CG 4.15Å; F659-F754 HydrophobicContact CG-CD2 4.3Å; F659-F754 HydrophobicContact CG-CE2 4.37Å; F659-F800 HydrophobicContact CB-CE1 4.05Å; F659-F800 HydrophobicContact CD1-CE1 4.29Å; F659-F800 AromaticContact CD2-CE1 3.83Å; F659-F800 HydrophobicContact CD2-CE1 3.83Å; F659-F800 HydrophobicContact CD2-CZ 4.28Å; F659-F800 HydrophobicContact CE2-CE1 4.35Å; F659-F800 HydrophobicContact CE2-CZ 4.35Å; F659-F800 AromaticContact CG-CE1 3.79Å; F659-F800 HydrophobicContact CG-CE1 3.79Å; F659-F800 HydrophobicContact CG-CZ 4.45Å
660	T	97.3	Very high	87.1	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	135.7	174.6	-61.3	0	0	0	0	109	V662 K687 V689 V731 T733 A735 I736 L737	T660-V662 HydrophobicContact CG2-CG2 4.49Å; T660-K687 HydrophobicContact CG2-CG 3.84Å; T660-V689 HydrophobicContact CG2-CG2 3.78Å; T660-V731 HydrophobicContact CG2-CG1 4.25Å; T660-V731 HydrophobicContact CG2-CG2 4.22Å; T660-T733 VanDerWaalsContact CB-OG1 3.27Å; T660-T733 WeakPolarHBondContact CB-OG1 3.48Å; T660-T733 PolarHBondContact N-OG1 2.86Å; T660-T733 PolarHBondContact OG1-OG1 2.89Å; T660-A735 PolarHBondContact N-O 2.76Å; T660-A735 VanDerWaalsContact N-O 3.11Å; T660-I736 WeakPolarHBondContact O-CA 3.27Å; T660-L737 PolarHBondContact O-N 3.32Å
661	V	97.6	Very high	87.5	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	131	171.7	174.9	0	0	0	0	109	F659 M663 L679 L685 K687 V688 V689 L737 I739	F659-V661 HydrophobicContact CD2-CG2 4.2Å; F659-V661 HydrophobicContact CE2-CG2 3.93Å; V661-M663 HydrophobicContact CG1-CE 3.83Å; V661-M663 HydrophobicContact CG1-CG 4.06Å; V661-L679 HydrophobicContact CB-CD1 4.46Å; V661-L679 HydrophobicContact CG1-CD1 4.16Å; V661-L679 HydrophobicContact CG2-CD1 4.37Å; V661-L685 HydrophobicContact CB-CD1 4.12Å; V661-L685 HydrophobicContact CG2-CD1 3.45Å; V661-L685 VanDerWaalsContact CG2-CD1 3.45Å; V661-K687 PolarHBondContact N-O 2.81Å; V661-K687 VanDerWaalsContact N-O 3.1Å; V661-V688 HydrophobicContact CB-CG1 4.27Å; V661-V688 HydrophobicContact CB-CG2 4.33Å; V661-V688 HydrophobicContact CG1-CG1 4.2Å; V661-V689 PolarHBondContact O-N 3.31Å; V661-L737 CarbonylContact C-O 3.5Å; V661-L737 WeakPolarHBondContact CA-O 3.35Å; V661-L737 HydrophobicContact CG2-CB 4.1Å; V661-L737 HydrophobicContact CG2-CD2 4.04Å; V661-L737 HydrophobicContact CG2-CG 4.34Å; V661-I739 HydrophobicContact CG1-CG2 3.55Å
662	V	98	Very high	88.3	Confident	3 Å²	3	37.2 Å²	37.2	2%	0.018	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	117.6	173.6	179	0	0	0	0	108.6	T660 V689 V691 R724 V731 I736 L737 I739	T660-V662 HydrophobicContact CG2-CG2 4.49Å; V662-V689 WeakPolarHBondContact CA-O 2.95Å; V662-V689 HydrophobicContact CG2-CB 4.35Å; V662-V691 HydrophobicContact CG1-CG2 3.91Å; V662-R724 HydrophobicContact CG1-CB 4.32Å; V662-V731 HydrophobicContact CG2-CG2 4.4Å; V662-I736 HydrophobicContact CB-CG2 4.18Å; V662-I736 HydrophobicContact CG2-CG2 3.69Å; V662-L737 PolarHBondContact N-O 2.76Å; V662-I739 PolarHBondContact O-N 3.23Å; V662-I739 VanDerWaalsContact O-N 3.08Å
663	M	96.5	Very high	88.9	Confident	1 Å²	1	36.5 Å²	36.5	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	120.1	177.1	-75.4	-176.4	-165.4	0	0	110	V661 L672 L676 L679 V689 V690 V691 I739	V661-M663 HydrophobicContact CG1-CE 3.83Å; V661-M663 HydrophobicContact CG1-CG 4.06Å; M663-L672 HydrophobicContact SD-CD1 4.14Å; M663-L676 HydrophobicContact CE-CD2 4.39Å; M663-L676 HydrophobicContact SD-CD2 3.91Å; M663-L676 HydrophobicContact SD-CG 4.47Å; M663-L679 HydrophobicContact CE-CD1 3.44Å; M663-L679 VanDerWaalsContact CE-CD1 3.44Å; M663-L679 HydrophobicContact CE-CG 4.23Å; M663-V689 PolarHBondContact N-O 3.25Å; M663-V690 CarbonylContact O-C 3.57Å; M663-V690 WeakPolarHBondContact O-CA 3.45Å; M663-V691 PolarHBondContact O-N 3.24Å; M663-I739 HydrophobicContact CE-CG2 3.58Å; M663-I739 HydrophobicContact CG-CG2 3.39Å; M663-I739 HydrophobicContact SD-CG2 4.25Å
664	L	95.2	Very high	89.4	Confident	19 Å²	19	36.9 Å²	36.9	10%	0.099	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	132.8	168.9	-175.9	150.6	0	0	0	108.7	V691 N693 L721 N723 R724	L664-V691 HydrophobicContact CB-CB 4.37Å; L664-V691 HydrophobicContact CD1-CG1 4.33Å; L664-V691 HydrophobicContact CG-CG1 4.46Å; L664-N693 HydrophobicContact CD2-CB 4.33Å; L664-N693 HydrophobicContact CG-CB 4.44Å; L664-L721 HydrophobicContact CD2-CD2 4.1Å; L664-N723 HydrophobicContact CD1-CB 4.45Å; L664-R724 HydrophobicContact CB-CB 4.04Å; L664-R724 HydrophobicContact CD1-CB 3.86Å
665	T	93.1	Very high	89.9	Confident	1 Å²	1	36 Å²	36	1%	0.006	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	143.8	-178.9	-168.2	0	0	0	0	111.6	L672 V690 V691 W692 N693 D741	T665-L672 HydrophobicContact CG2-CD2 3.89Å; T665-V690 HydrophobicContact CG2-CG1 3.84Å; T665-V691 PolarHBondContact N-O 3.28Å; T665-V691 VanDerWaalsContact N-O 3.14Å; T665-W692 HydrophobicContact CG2-CD2 4.39Å; T665-W692 HydrophobicContact CG2-CE3 3.61Å; T665-W692 HydrophobicContact CG2-CZ3 3.92Å; T665-N693 WeakPolarHBondContact O-CB 3.18Å; T665-N693 PolarHBondContact O-N 2.84Å; T665-N693 VanDerWaalsContact O-N 3.13Å; T665-D741 WeakPolarHBondContact CA-OD2 3.45Å; T665-D741 WeakPolarHBondContact CB-OD2 3.38Å; T665-D741 PolarHBondContact OG1-OD2 3.13Å
666	Y	91.6	Very high	90.7	Very high	87 Å²	87	33.8 Å²	33.8	34%	0.341	16%	0.155	S	C	.	.	S	Bend	trans	-142.4	111.6	177.1	179.7	-89.1	0	0	0	109.7	R668 N693 N719	Y666-R668 WeakPolarHBondContact O-CG 3.49Å; Y666-R668 PolarHBondContact O-N 3.07Å; Y666-R668 VanDerWaalsContact O-N 3.15Å; Y666-N693 HydrophobicContact CD2-CB 4.41Å; Y666-N719 HydrophobicContact CE2-CB 4.38Å; Y666-N719 WeakPolarHBondContact CE2-ND2 3.11Å
667	E	88.2	Confident	91.2	Very high	116 Å²	116	32.5 Å²	32.5	54%	0.542	15%	0.153	S	C	.	.	S	Bend	trans	54.7	32.8	173.2	-60.4	-169.7	146.6	0	0	114.1	S694	E667-S694 PolarHBondContact N-OG 3.29Å
668	R	86.6	Confident	91.2	Very high	59 Å²	59	36.8 Å²	36.8	22%	0.223	17%	0.168	C	C	.	.			trans	-132.8	47.6	-174.9	-73.3	173.1	175.6	-161.4	-4.5	113	Y666 E670 V671 L672 D741 D742 Q860	Y666-R668 WeakPolarHBondContact O-CG 3.49Å; Y666-R668 PolarHBondContact O-N 3.07Å; Y666-R668 VanDerWaalsContact O-N 3.15Å; R668-E670 PolarHBondContact O-N 3.06Å; R668-V671 HydrophobicContact CB-CB 4.35Å; R668-V671 PolarHBondContact O-N 3.02Å; R668-L672 WeakPolarHBondContact O-CB 3.1Å; R668-L672 PolarHBondContact O-N 3.33Å; R668-D741 WeakPolarHBondContact CD-OD2 3.48Å; R668-D741 IonicContact NH1-OD1 3.42Å; R668-D741 PolarHBondContact NH1-OD1 3.2Å; R668-D742 IonicContact CZ-OD2 3.42Å; R668-D742 IonicContact NH1-OD2 3.06Å; R668-D742 PolarHBondContact NH1-OD2 2.9Å; R668-Q860 PolarHBondContact NH2-O 3.25Å
669	E	87.9	Confident	91.2	Very high	48 Å²	48	37.1 Å²	37.1	22%	0.224	17%	0.17	C	C	.	.	H	α-helix	trans	-54.2	-46.2	-173.9	-53.7	-166.6	151.4	0	0	113	L672 M673 W692 P698 S699 L702	E669-L672 WeakPolarHBondContact O-CB 3.25Å; E669-L672 PolarHBondContact O-N 3.23Å; E669-M673 VanDerWaalsContact O-CG 3.26Å; E669-M673 WeakPolarHBondContact O-CG 3.37Å; E669-M673 PolarHBondContact O-N 2.86Å; E669-W692 HydrophobicContact CG-CH2 3.95Å; E669-W692 WeakPolarHBondContact OE1-CH2 3.27Å; E669-P698 WeakPolarHBondContact OE1-CA 3.33Å; E669-S699 PolarHBondContact OE1-N 3.31Å; E669-S699 VanDerWaalsContact OE1-N 3.1Å; E669-S699 PolarHBondContact OE1-OG 3.44Å; E669-S699 WeakPolarHBondContact OE2-CB 3.37Å; E669-S699 PolarHBondContact OE2-OG 2.97Å; E669-L702 HydrophobicContact CB-CD1 4.31Å; E669-L702 HydrophobicContact CB-CD2 4.28Å; E669-L702 HydrophobicContact CG-CD2 4.45Å
670	E	86.5	Confident	90.8	Very high	155 Å²	155	40.7 Å²	40.7	72%	0.724	19%	0.189	S	C	*	.	H	α-helix	trans	-65.4	-42.9	-178.6	-172.7	-176.9	174.8	0	0	112.8	R668 M673 N674	R668-E670 PolarHBondContact O-N 3.06Å; E670-M673 PolarHBondContact O-N 3.03Å; E670-N674 PolarHBondContact O-N 3.01Å; E670-N674 VanDerWaalsContact O-N 3.12Å; E670-N674 PolarHBondContact O-ND2 2.96Å; E670-N674 VanDerWaalsContact O-ND2 3.17Å
671	V	87.6	Confident	90	Very high	32 Å²	32	41.7 Å²	41.7	19%	0.194	20%	0.2	C	C	.	.	H	α-helix	trans	-66	-43	179.2	-174.7	0	0	0	0	109.9	R668 N674 S675 D741 D742	R668-V671 HydrophobicContact CB-CB 4.35Å; R668-V671 PolarHBondContact O-N 3.02Å; V671-N674 PolarHBondContact O-N 3.14Å; V671-S675 WeakPolarHBondContact O-CB 3.45Å; V671-S675 PolarHBondContact O-N 3.06Å; V671-S675 PolarHBondContact O-OG 2.99Å; V671-D741 WeakPolarHBondContact CG1-O 3.32Å; V671-D742 HydrophobicContact CG1-CB 4.06Å
672	L	90.6	Very high	89.5	Confident	0 Å²	0	42 Å²	42	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-57.3	-49.3	174.1	173.9	71.3	0	0	0	111.6	M663 T665 R668 E669 N674 S675 L676 V690 W692 W704 D741	M663-L672 HydrophobicContact SD-CD1 4.14Å; T665-L672 HydrophobicContact CG2-CD2 3.89Å; R668-L672 WeakPolarHBondContact O-CB 3.1Å; R668-L672 PolarHBondContact O-N 3.33Å; E669-L672 WeakPolarHBondContact O-CB 3.25Å; E669-L672 PolarHBondContact O-N 3.23Å; L672-N674 VanDerWaalsContact C-N 3.33Å; L672-N674 PolarHBondContact O-N 2.97Å; L672-S675 PolarHBondContact O-N 3.43Å; L672-S675 VanDerWaalsContact O-N 3.12Å; L672-L676 HydrophobicContact CD1-CD1 4.14Å; L672-L676 HydrophobicContact CD1-CG 4.14Å; L672-L676 HydrophobicContact CD2-CD1 4.47Å; L672-L676 HydrophobicContact CG-CD1 3.9Å; L672-L676 HydrophobicContact CG-CG 4.29Å; L672-L676 VanDerWaalsContact O-CG 3.3Å; L672-L676 WeakPolarHBondContact O-CG 3.24Å; L672-L676 PolarHBondContact O-N 2.92Å; L672-V690 HydrophobicContact CD1-CG1 4.2Å; L672-V690 HydrophobicContact CD1-CG2 4.4Å; L672-V690 HydrophobicContact CD2-CG1 4.04Å; L672-W692 HydrophobicContact CD2-CZ3 4.05Å; L672-W704 HydrophobicContact CD2-CH2 4.07Å; L672-W704 HydrophobicContact CD2-CZ3 4.29Å; L672-D741 HydrophobicContact CD1-CB 4.4Å
673	M	90.6	Very high	88.8	Confident	17 Å²	17	42 Å²	42	8%	0.084	20%	0.201	C	C	.	.	H	α-helix	trans	-60.4	-43.5	-178.8	-69	-58.4	148.3	0	0	111.9	E669 E670 S675 L676 E677 L702 W704 P705	E669-M673 VanDerWaalsContact O-CG 3.26Å; E669-M673 WeakPolarHBondContact O-CG 3.37Å; E669-M673 PolarHBondContact O-N 2.86Å; E670-M673 PolarHBondContact O-N 3.03Å; M673-S675 VanDerWaalsContact C-N 3.32Å; M673-S675 PolarHBondContact O-N 2.95Å; M673-L676 HydrophobicContact CE-CD1 4.46Å; M673-L676 PolarHBondContact O-N 2.89Å; M673-L676 HydrophobicContact SD-CD1 4.22Å; M673-E677 WeakPolarHBondContact O-CB 2.97Å; M673-E677 PolarHBondContact O-N 3.44Å; M673-L702 HydrophobicContact CE-CD1 4.02Å; M673-L702 HydrophobicContact CE-CD2 3.36Å; M673-L702 HydrophobicContact CE-CG 3.59Å; M673-L702 HydrophobicContact CG-CD1 4.02Å; M673-L702 HydrophobicContact SD-CG 4.47Å; M673-W704 HydrophobicContact CE-CD2 3.45Å; M673-W704 VanDerWaalsContact CE-CD2 3.45Å; M673-W704 HydrophobicContact CE-CE3 3.62Å; M673-W704 HydrophobicContact CE-CG 3.98Å; M673-W704 HydrophobicContact CE-CH2 3.93Å; M673-W704 HydrophobicContact CE-CZ2 3.78Å; M673-W704 HydrophobicContact CE-CZ3 3.85Å; M673-W704 HydrophobicContact SD-CD2 4.29Å; M673-W704 HydrophobicContact SD-CE3 4.33Å; M673-W704 HydrophobicContact SD-CG 4.42Å; M673-P705 WeakPolarHBondContact SD-CD 3.35Å; M673-P705 HydrophobicContact SD-CG 4.49Å
674	N	87.5	Confident	88.3	Confident	72 Å²	72	42.3 Å²	42.3	39%	0.385	20%	0.203	S	C	.	.	H	α-helix	trans	-62.5	-38.4	175.2	-71.6	-34.7	0	0	0	112.3	E670 V671 L672 R678	E670-N674 PolarHBondContact O-N 3.01Å; E670-N674 VanDerWaalsContact O-N 3.12Å; E670-N674 PolarHBondContact O-ND2 2.96Å; E670-N674 VanDerWaalsContact O-ND2 3.17Å; V671-N674 PolarHBondContact O-N 3.14Å; L672-N674 VanDerWaalsContact C-N 3.33Å; L672-N674 PolarHBondContact O-N 2.97Å; N674-R678 WeakPolarHBondContact O-CG 3.34Å; N674-R678 PolarHBondContact O-N 3.08Å
675	S	89.6	Confident	88.1	Confident	9 Å²	9	41.6 Å²	41.6	6%	0.063	20%	0.199	C	C	.	.	H	α-helix	trans	-70.3	-37.9	177	-70.7	0	0	0	0	112.5	V671 L672 M673 R678 D741	V671-S675 WeakPolarHBondContact O-CB 3.45Å; V671-S675 PolarHBondContact O-N 3.06Å; V671-S675 PolarHBondContact O-OG 2.99Å; L672-S675 PolarHBondContact O-N 3.43Å; L672-S675 VanDerWaalsContact O-N 3.12Å; M673-S675 VanDerWaalsContact C-N 3.32Å; M673-S675 PolarHBondContact O-N 2.95Å; S675-R678 PolarHBondContact O-N 2.72Å; S675-D741 WeakPolarHBondContact CB-O 3.38Å; S675-D741 PolarHBondContact OG-O 3.47Å
676	L	91.6	Very high	88.1	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-65.2	-45.4	174.5	-71.1	172.6	0	0	0	111.5	M663 L672 M673 R678 L679 V688 V690 W704 P705 I707 I711	M663-L676 HydrophobicContact CE-CD2 4.39Å; M663-L676 HydrophobicContact SD-CD2 3.91Å; M663-L676 HydrophobicContact SD-CG 4.47Å; L672-L676 HydrophobicContact CD1-CD1 4.14Å; L672-L676 HydrophobicContact CD1-CG 4.14Å; L672-L676 HydrophobicContact CD2-CD1 4.47Å; L672-L676 HydrophobicContact CG-CD1 3.9Å; L672-L676 HydrophobicContact CG-CG 4.29Å; L672-L676 VanDerWaalsContact O-CG 3.3Å; L672-L676 WeakPolarHBondContact O-CG 3.24Å; L672-L676 PolarHBondContact O-N 2.92Å; M673-L676 HydrophobicContact CE-CD1 4.46Å; M673-L676 PolarHBondContact O-N 2.89Å; M673-L676 HydrophobicContact SD-CD1 4.22Å; L676-R678 PolarHBondContact O-N 3.38Å; L676-L679 WeakPolarHBondContact O-CB 3.37Å; L676-L679 PolarHBondContact O-N 3.2Å; L676-V688 HydrophobicContact CD2-CB 4.43Å; L676-V688 HydrophobicContact CD2-CG1 3.65Å; L676-V690 HydrophobicContact CD1-CG2 4.48Å; L676-V690 HydrophobicContact CD2-CG2 4.11Å; L676-W704 HydrophobicContact CD1-CE3 3.72Å; L676-W704 HydrophobicContact CD1-CZ3 3.67Å; L676-P705 HydrophobicContact CB-CG 3.53Å; L676-P705 HydrophobicContact CD1-CG 4.36Å; L676-I707 WeakPolarHBondContact O-CG2 3.43Å; L676-I711 HydrophobicContact CD1-CD1 4.49Å
677	E	88.4	Confident	88.2	Confident	50 Å²	50	38.5 Å²	38.5	23%	0.234	19%	0.187	C	C	.	.	H	α-helix	trans	-58.1	-34.3	179.9	-174.8	175.2	-168.6	0	0	112.4	T559 M673 L679 N680 P705	T559-E677 WeakPolarHBondContact CG2-OE1 3.29Å; M673-E677 WeakPolarHBondContact O-CB 2.97Å; M673-E677 PolarHBondContact O-N 3.44Å; E677-L679 PolarHBondContact O-N 3.38Å; E677-N680 WeakPolarHBondContact O-CB 3.42Å; E677-N680 PolarHBondContact O-N 3.47Å; E677-P705 HydrophobicContact CB-CB 4.25Å
678	R	86.5	Confident	88.6	Confident	101 Å²	101	33 Å²	33	38%	0.381	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-14.6	177.7	-70.4	171	-174.7	176.4	0.7	114.6	N674 S675 L676 H744 H747	N674-R678 WeakPolarHBondContact O-CG 3.34Å; N674-R678 PolarHBondContact O-N 3.08Å; S675-R678 PolarHBondContact O-N 2.72Å; L676-R678 PolarHBondContact O-N 3.38Å; R678-H744 PolarHBondContact NH1-CD2 3.26Å; R678-H744 PolarHBondContact NH1-NE2 2.87Å; R678-H744 PolarHBondContact NH2-CD2 2.78Å; R678-H744 PolarHBondContact NH2-NE2 2.95Å; R678-H747 PolarHBondContact O-NE2 2.94Å
679	L	88.8	Confident	89.1	Confident	9 Å²	9	30.1 Å²	30.1	5%	0.047	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-3.6	172.8	-60.1	-179.6	0	0	0	112.4	V661 M663 L676 E677 G681 L682 L685 V688 I750	V661-L679 HydrophobicContact CB-CD1 4.46Å; V661-L679 HydrophobicContact CG1-CD1 4.16Å; V661-L679 HydrophobicContact CG2-CD1 4.37Å; M663-L679 HydrophobicContact CE-CD1 3.44Å; M663-L679 VanDerWaalsContact CE-CD1 3.44Å; M663-L679 HydrophobicContact CE-CG 4.23Å; L676-L679 WeakPolarHBondContact O-CB 3.37Å; L676-L679 PolarHBondContact O-N 3.2Å; E677-L679 PolarHBondContact O-N 3.38Å; L679-G681 PolarHBondContact O-N 2.82Å; L679-L682 HydrophobicContact CD2-CD2 3.85Å; L679-L682 VanDerWaalsContact O-CB 3.27Å; L679-L682 WeakPolarHBondContact O-CB 3.37Å; L679-L682 PolarHBondContact O-N 3.28Å; L679-L685 HydrophobicContact CB-CD2 4.23Å; L679-V688 HydrophobicContact CD1-CG1 4.46Å; L679-V688 HydrophobicContact CD1-CG2 3.75Å; L679-I750 HydrophobicContact CD2-CD1 4.27Å
680	N	86.9	Confident	89.5	Confident	76 Å²	76	27.9 Å²	27.9	41%	0.406	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	122.2	178.1	-174.6	15	0	0	0	110.9	E677 L682 I707 H747	E677-N680 WeakPolarHBondContact O-CB 3.42Å; E677-N680 PolarHBondContact O-N 3.47Å; N680-L682 VanDerWaalsContact C-N 3.33Å; N680-I707 HydrophobicContact CB-CB 4.35Å; N680-I707 HydrophobicContact CB-CG2 4.16Å; N680-H747 PolarHBondContact O-CE1 2.81Å; N680-H747 VanDerWaalsContact O-CE1 3.32Å
681	G	80.8	Confident	90	Very high	21 Å²	21	20.5 Å²	20.5	22%	0.216	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	75	15.3	-178.8	0	0	0	0	0	115.1	V574 L679 P683	V574-G681 WeakPolarHBondContact CG2-O 3.19Å; L679-G681 PolarHBondContact O-N 2.82Å; G681-P683 VanDerWaalsContact O-CD 3.3Å; G681-P683 WeakPolarHBondContact O-CD 3.28Å
682	L	86.1	Confident	90.4	Very high	5 Å²	5	19.3 Å²	19.3	3%	0.026	10%	0.097	C	C	.	.			trans	-66.7	120.7	173.7	178	61.6	0	0	0	111	F659 L679 N680 L685 H747 I750 M751	F659-L682 HydrophobicContact CE2-CD2 4.05Å; F659-L682 HydrophobicContact CZ-CD2 3.79Å; F659-L682 HydrophobicContact CZ-CG 4.13Å; L679-L682 HydrophobicContact CD2-CD2 3.85Å; L679-L682 VanDerWaalsContact O-CB 3.27Å; L679-L682 WeakPolarHBondContact O-CB 3.37Å; L679-L682 PolarHBondContact O-N 3.28Å; N680-L682 VanDerWaalsContact C-N 3.33Å; L682-L685 HydrophobicContact CB-CB 4.37Å; L682-L685 HydrophobicContact CB-CD2 4.37Å; L682-L685 HydrophobicContact CD2-CB 4.3Å; L682-L685 HydrophobicContact CD2-CD2 4.28Å; L682-L685 HydrophobicContact CG-CB 4.27Å; L682-H747 HydrophobicContact CD1-CB 4.08Å; L682-I750 HydrophobicContact CD1-CB 4.29Å; L682-I750 HydrophobicContact CD1-CD1 4.4Å; L682-I750 HydrophobicContact CD1-CG2 4.16Å; L682-I750 HydrophobicContact CD2-CD1 4.07Å; L682-I750 HydrophobicContact CD2-CG2 4.12Å; L682-M751 HydrophobicContact CD1-CG 4.42Å; L682-M751 HydrophobicContact CD1-SD 4.34Å
683	P	84.4	Confident	90.6	Very high	4 Å²	4	19.4 Å²	19.4	3%	0.026	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	147.9	179.2	-24.7	36.7	0	0	0	113.2	L571 V574 G681 L685 M751	L571-P683 HydrophobicContact CB-CG 4.07Å; V574-P683 HydrophobicContact CG2-CG 4.36Å; G681-P683 VanDerWaalsContact O-CD 3.3Å; G681-P683 WeakPolarHBondContact O-CD 3.28Å; P683-L685 PolarHBondContact O-N 2.73Å; P683-L685 VanDerWaalsContact O-N 3.07Å; P683-M751 HydrophobicContact CB-SD 4.23Å
684	Y	86.4	Confident	90.6	Very high	8 Å²	8	19.2 Å²	19.2	3%	0.031	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	10.7	176.6	-46.5	-85.2	0	0	0	115.9	L650 Q658 F659 M751	L650-Y684 HydrophobicContact CD1-CD1 3.61Å; L650-Y684 HydrophobicContact CD1-CD2 4.45Å; L650-Y684 HydrophobicContact CD1-CE1 3.68Å; L650-Y684 HydrophobicContact CD1-CG 4Å; L650-Y684 HydrophobicContact CD2-CD1 4.39Å; L650-Y684 HydrophobicContact CD2-CD2 3.78Å; L650-Y684 HydrophobicContact CD2-CE1 4.26Å; L650-Y684 HydrophobicContact CD2-CE2 3.63Å; L650-Y684 HydrophobicContact CD2-CG 4.15Å; L650-Y684 HydrophobicContact CG-CD1 3.92Å; L650-Y684 HydrophobicContact CG-CD2 4.16Å; L650-Y684 HydrophobicContact CG-CE1 3.56Å; L650-Y684 HydrophobicContact CG-CE2 3.83Å; L650-Y684 HydrophobicContact CG-CG 4.19Å; L650-Y684 PolarHBondContact N-OH 3.22Å; Q658-Y684 VanDerWaalsContact CA-O 3.22Å; Q658-Y684 WeakPolarHBondContact CA-O 3.36Å; Q658-Y684 VanDerWaalsContact CB-O 3.24Å; Q658-Y684 WeakPolarHBondContact CB-O 3.39Å; F659-Y684 WeakPolarHBondContact CD1-O 3.35Å; F659-Y684 PolarHBondContact N-O 3.26Å; Y684-M751 HydrophobicContact CD2-CE 3.24Å; Y684-M751 HydrophobicContact CD2-SD 3.96Å; Y684-M751 HydrophobicContact CE2-CE 3.66Å; Y684-M751 HydrophobicContact CG-CE 4.27Å
685	L	90.9	Very high	90.5	Very high	3 Å²	3	20.6 Å²	20.6	2%	0.016	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	125.5	168.6	179.3	61.1	0	0	0	109.1	F659 V661 L679 L682 P683 K687 V688 L709	F659-L685 HydrophobicContact CD2-CD1 4.24Å; F659-L685 HydrophobicContact CE2-CD1 3.91Å; F659-L685 HydrophobicContact CZ-CB 4.43Å; V661-L685 HydrophobicContact CB-CD1 4.12Å; V661-L685 HydrophobicContact CG2-CD1 3.45Å; V661-L685 VanDerWaalsContact CG2-CD1 3.45Å; L679-L685 HydrophobicContact CB-CD2 4.23Å; L682-L685 HydrophobicContact CB-CB 4.37Å; L682-L685 HydrophobicContact CB-CD2 4.37Å; L682-L685 HydrophobicContact CD2-CB 4.3Å; L682-L685 HydrophobicContact CD2-CD2 4.28Å; L682-L685 HydrophobicContact CG-CB 4.27Å; P683-L685 PolarHBondContact O-N 2.73Å; P683-L685 VanDerWaalsContact O-N 3.07Å; L685-K687 WeakPolarHBondContact CD1-O 3.27Å; L685-V688 HydrophobicContact CD1-CG2 4.46Å; L685-V688 HydrophobicContact CD2-CG2 3.95Å; L685-L709 HydrophobicContact CB-CD1 3.7Å; L685-L709 HydrophobicContact CD2-CD1 3.8Å; L685-L709 HydrophobicContact CG-CD1 3.7Å; L685-L709 VanDerWaalsContact O-CD1 3.27Å; L685-L709 WeakPolarHBondContact O-CD1 3.42Å
686	N	92.8	Very high	90.5	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	-55	176.8	-179.2	-87.9	0	0	0	111.3	P579 Y580 Q658 F659 T733	P579-N686 WeakPolarHBondContact CB-O 3.38Å; P579-N686 WeakPolarHBondContact CG-O 3.24Å; Y580-N686 PolarHBondContact N-ND2 2.85Å; Y580-N686 PolarHBondContact O-ND2 3.33Å; Q658-N686 HydrophobicContact CB-CB 3.9Å; Q658-N686 PolarHBondContact OE1-ND2 3.46Å; F659-N686 WeakPolarHBondContact O-CB 3.41Å; F659-N686 PolarHBondContact O-N 3.48Å; N686-T733 HydrophobicContact CB-CG2 3.6Å
687	K	93.8	Very high	90.3	Very high	22 Å²	22	31.9 Å²	31.9	10%	0.096	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	168.2	178.7	69.7	-174.9	75.8	170.9	0	110.5	T660 V661 L685 V689 P710 V712 V730 E732	T660-K687 HydrophobicContact CG2-CG 3.84Å; V661-K687 PolarHBondContact N-O 2.81Å; V661-K687 VanDerWaalsContact N-O 3.1Å; L685-K687 WeakPolarHBondContact CD1-O 3.27Å; K687-V689 HydrophobicContact CD-CG2 4.38Å; K687-V689 HydrophobicContact CG-CG2 4.34Å; K687-P710 WeakPolarHBondContact CA-O 3.22Å; K687-P710 HydrophobicContact CB-CB 4.27Å; K687-P710 WeakPolarHBondContact CB-O 3.44Å; K687-V712 HydrophobicContact CD-CG2 4.46Å; K687-V730 WeakPolarHBondContact CD-O 3.36Å; K687-V730 WeakPolarHBondContact CE-O 3.44Å; K687-V730 PolarHBondContact NZ-O 3.05Å; K687-E732 IonicContact NZ-OE2 3.31Å; K687-E732 PolarHBondContact NZ-OE2 3.38Å
688	V	96	Very high	90.3	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	124.1	171.3	-172.9	0	0	0	0	109.2	V661 L676 L679 L685 V690 I707 P710 I711 V712	V661-V688 HydrophobicContact CB-CG1 4.27Å; V661-V688 HydrophobicContact CB-CG2 4.33Å; V661-V688 HydrophobicContact CG1-CG1 4.2Å; L676-V688 HydrophobicContact CD2-CB 4.43Å; L676-V688 HydrophobicContact CD2-CG1 3.65Å; L679-V688 HydrophobicContact CD1-CG1 4.46Å; L679-V688 HydrophobicContact CD1-CG2 3.75Å; L685-V688 HydrophobicContact CD1-CG2 4.46Å; L685-V688 HydrophobicContact CD2-CG2 3.95Å; V688-V690 HydrophobicContact CG1-CG2 4.21Å; V688-I707 HydrophobicContact CG2-CD1 3.72Å; V688-P710 PolarHBondContact N-O 2.91Å; V688-I711 HydrophobicContact CB-CG1 4.49Å; V688-I711 CarbonylContact O-C 3.58Å; V688-I711 WeakPolarHBondContact O-CA 3.3Å; V688-V712 PolarHBondContact O-N 3.19Å
689	V	97.4	Very high	90.3	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	113.1	174.1	179.8	0	0	0	0	108.2	T660 V661 V662 M663 K687 V691 V712 V714 V730 V731	T660-V689 HydrophobicContact CG2-CG2 3.78Å; V661-V689 PolarHBondContact O-N 3.31Å; V662-V689 WeakPolarHBondContact CA-O 2.95Å; V662-V689 HydrophobicContact CG2-CB 4.35Å; M663-V689 PolarHBondContact N-O 3.25Å; K687-V689 HydrophobicContact CD-CG2 4.38Å; K687-V689 HydrophobicContact CG-CG2 4.34Å; V689-V691 HydrophobicContact CG1-CG2 4.43Å; V689-V712 CarbonylContact C-O 3.32Å; V689-V712 WeakPolarHBondContact CA-O 3.23Å; V689-V714 HydrophobicContact CG1-CG2 3.73Å; V689-V730 HydrophobicContact CG1-CG2 4.31Å; V689-V730 HydrophobicContact CG2-CG2 4.04Å; V689-V731 HydrophobicContact CG2-CG2 4.04Å
690	V	97.2	Very high	90	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	110.6	175.6	179.3	0	0	0	0	108.7	M663 T665 L672 L676 V688 W692 W704 I711 V712 V713 V714	M663-V690 CarbonylContact O-C 3.57Å; M663-V690 WeakPolarHBondContact O-CA 3.45Å; T665-V690 HydrophobicContact CG2-CG1 3.84Å; L672-V690 HydrophobicContact CD1-CG1 4.2Å; L672-V690 HydrophobicContact CD1-CG2 4.4Å; L672-V690 HydrophobicContact CD2-CG1 4.04Å; L676-V690 HydrophobicContact CD1-CG2 4.48Å; L676-V690 HydrophobicContact CD2-CG2 4.11Å; V688-V690 HydrophobicContact CG1-CG2 4.21Å; V690-W692 HydrophobicContact CG1-CE3 4.42Å; V690-W692 PolarHBondContact O-N 2.75Å; V690-W704 HydrophobicContact CB-CZ3 4.41Å; V690-W704 HydrophobicContact CG1-CH2 4.25Å; V690-W704 HydrophobicContact CG1-CZ3 4.46Å; V690-W704 HydrophobicContact CG2-CZ3 4.05Å; V690-I711 HydrophobicContact CG2-CG2 4.11Å; V690-V712 PolarHBondContact N-O 2.96Å; V690-V713 HydrophobicContact CB-CG2 4.46Å; V690-V713 CarbonylContact O-C 3.14Å; V690-V713 WeakPolarHBondContact O-CA 3.28Å; V690-V714 PolarHBondContact O-N 2.85Å
691	V	97	Very high	89.8	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	104.4	175.8	-179.9	0	0	0	0	108.1	V662 M663 L664 T665 V689 N693 T716 N723	V662-V691 HydrophobicContact CG1-CG2 3.91Å; M663-V691 PolarHBondContact O-N 3.24Å; L664-V691 HydrophobicContact CB-CB 4.37Å; L664-V691 HydrophobicContact CD1-CG1 4.33Å; L664-V691 HydrophobicContact CG-CG1 4.46Å; T665-V691 PolarHBondContact N-O 3.28Å; T665-V691 VanDerWaalsContact N-O 3.14Å; V689-V691 HydrophobicContact CG1-CG2 4.43Å; V691-N693 PolarHBondContact O-N 3.15Å; V691-T716 HydrophobicContact CG1-CG2 3.54Å; V691-N723 HydrophobicContact CG1-CB 3.6Å
692	W	95.6	Very high	90	Very high	8 Å²	8	39.6 Å²	39.6	3%	0.03	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	97.3	-175.1	-166.7	-92.1	0	0	0	110.4	I549 T665 E669 L672 V690 S694 K696 P698 W704 V713 V714 T716	I549-W692 HydrophobicContact CD1-CB 4.07Å; I549-W692 HydrophobicContact CD1-CG 4.01Å; T665-W692 HydrophobicContact CG2-CD2 4.39Å; T665-W692 HydrophobicContact CG2-CE3 3.61Å; T665-W692 HydrophobicContact CG2-CZ3 3.92Å; E669-W692 HydrophobicContact CG-CH2 3.95Å; E669-W692 WeakPolarHBondContact OE1-CH2 3.27Å; L672-W692 HydrophobicContact CD2-CZ3 4.05Å; V690-W692 HydrophobicContact CG1-CE3 4.42Å; V690-W692 PolarHBondContact O-N 2.75Å; W692-S694 PolarHBondContact NE1-O 3.42Å; W692-K696 PolarHBondContact NE1-O 3.17Å; W692-P698 HydrophobicContact CD2-CG 3.83Å; W692-P698 HydrophobicContact CE3-CG 3.92Å; W692-P698 HydrophobicContact CH2-CB 3.62Å; W692-P698 HydrophobicContact CH2-CG 3.65Å; W692-P698 HydrophobicContact CZ2-CB 3.79Å; W692-P698 HydrophobicContact CZ2-CG 3.59Å; W692-P698 VanDerWaalsContact CZ2-N 3.33Å; W692-P698 HydrophobicContact CZ3-CB 4.12Å; W692-P698 HydrophobicContact CZ3-CG 3.83Å; W692-W704 HydrophobicContact CZ3-CH2 4.32Å; W692-W704 HydrophobicContact CZ3-CZ2 4.39Å; W692-V713 HydrophobicContact CB-CG1 4.13Å; W692-V713 HydrophobicContact CE3-CG1 4.27Å; W692-V714 WeakPolarHBondContact CB-O 3.15Å; W692-V714 PolarHBondContact N-O 3.2Å; W692-T716 WeakPolarHBondContact O-CG2 3.22Å; W692-T716 PolarHBondContact O-N 3.01Å; W692-T716 PolarHBondContact O-OG1 3.41Å
693	N	94.4	Very high	90	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.011	24%	0.236	C	C	.	.			trans	-87.6	-10.2	-179.9	-94.7	28.5	0	0	0	113.8	L664 T665 Y666 V691 N719 S720 N723	L664-N693 HydrophobicContact CD2-CB 4.33Å; L664-N693 HydrophobicContact CG-CB 4.44Å; T665-N693 WeakPolarHBondContact O-CB 3.18Å; T665-N693 PolarHBondContact O-N 2.84Å; T665-N693 VanDerWaalsContact O-N 3.13Å; Y666-N693 HydrophobicContact CD2-CB 4.41Å; V691-N693 PolarHBondContact O-N 3.15Å; N693-N719 PolarHBondContact ND2-OD1 3.02Å; N693-N719 VanDerWaalsContact ND2-OD1 3.13Å; N693-S720 VanDerWaalsContact ND2-C 3.32Å; N693-S720 PolarHBondContact ND2-N 3.11Å; N693-S720 VanDerWaalsContact ND2-N 3.19Å; N693-S720 PolarHBondContact ND2-O 3.45Å; N693-N723 PolarHBondContact OD1-ND2 3.18Å
694	S	90	Very high	90.3	Very high	13 Å²	13	42.6 Å²	42.6	9%	0.091	24%	0.235	C	C	.	.			trans	-69.3	138.3	179	-75.8	0	0	0	0	111.6	E667 W692 K696	E667-S694 PolarHBondContact N-OG 3.29Å; W692-S694 PolarHBondContact NE1-O 3.42Å; S694-K696 VanDerWaalsContact C-N 3.26Å; S694-K696 PolarHBondContact O-N 3.15Å
695	P	86.3	Confident	90.4	Very high	101 Å²	101	42.7 Å²	42.7	66%	0.656	24%	0.237	S	C	*	.	S	Bend	trans	-67.6	-29.8	179.4	26.5	-34	0	0	0	112.3
696	K	88.9	Confident	90.1	Very high	151 Å²	151	46.6 Å²	46.6	66%	0.657	26%	0.257	S	S	*	.	S	Bend	trans	-86.7	142.1	173.6	-64.2	177.3	-175.1	169.7	0	109.5	W692 S694	W692-K696 PolarHBondContact NE1-O 3.17Å; S694-K696 VanDerWaalsContact C-N 3.26Å; S694-K696 PolarHBondContact O-N 3.15Å
697	P	87.4	Confident	89.7	Confident	94 Å²	94	46.8 Å²	46.8	61%	0.61	26%	0.259	S	S	*	.	P	Polyproline II helix	trans	-62.9	161.9	171.5	30	-35.2	0	0	0	110.8
698	P	88.6	Confident	89.1	Confident	12 Å²	12	48.9 Å²	48.9	8%	0.078	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-53.8	146.9	171	-17.5	26.8	0	0	0	111.3	I549 E669 W692 D700 L702 W704	I549-P698 HydrophobicContact CG2-CG 4.25Å; E669-P698 WeakPolarHBondContact OE1-CA 3.33Å; W692-P698 HydrophobicContact CD2-CG 3.83Å; W692-P698 HydrophobicContact CE3-CG 3.92Å; W692-P698 HydrophobicContact CH2-CB 3.62Å; W692-P698 HydrophobicContact CH2-CG 3.65Å; W692-P698 HydrophobicContact CZ2-CB 3.79Å; W692-P698 HydrophobicContact CZ2-CG 3.59Å; W692-P698 VanDerWaalsContact CZ2-N 3.33Å; W692-P698 HydrophobicContact CZ3-CB 4.12Å; W692-P698 HydrophobicContact CZ3-CG 3.83Å; P698-D700 PolarHBondContact O-N 3.09Å; P698-L702 HydrophobicContact CB-CD2 4.06Å; P698-W704 HydrophobicContact CB-CZ2 4.26Å; P698-W704 HydrophobicContact CG-CZ2 4.22Å
699	S	87.4	Confident	88.5	Confident	64 Å²	64	51 Å²	51	45%	0.448	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-55.6	134.2	176.4	-57.3	0	0	0	0	112	E669 D701 L702	E669-S699 PolarHBondContact OE1-N 3.31Å; E669-S699 VanDerWaalsContact OE1-N 3.1Å; E669-S699 PolarHBondContact OE1-OG 3.44Å; E669-S699 WeakPolarHBondContact OE2-CB 3.37Å; E669-S699 PolarHBondContact OE2-OG 2.97Å; S699-D701 PolarHBondContact O-N 2.98Å; S699-L702 WeakPolarHBondContact O-CB 3.21Å; S699-L702 PolarHBondContact O-N 3.25Å
700	D	82.2	Confident	88.2	Confident	149 Å²	149	54 Å²	54	80%	0.797	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-25.6	-177.4	-72.7	-35.2	0	0	0	113.7	P698 L702	P698-D700 PolarHBondContact O-N 3.09Å; D700-L702 VanDerWaalsContact C-N 3.35Å
701	D	81.6	Confident	88	Confident	163 Å²	163	54.7 Å²	54.7	87%	0.872	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-3.3	177.6	-65.3	-36	0	0	0	113.1	S699 L703	S699-D701 PolarHBondContact O-N 2.98Å; D701-L703 PolarHBondContact O-N 3.29Å
702	L	85.4	Confident	87.9	Confident	31 Å²	31	55.3 Å²	55.3	16%	0.162	32%	0.324	C	S	.	.			trans	-69.7	117.3	-178.1	-168.2	63.9	0	0	0	110.3	E669 M673 P698 S699 D700 W704	E669-L702 HydrophobicContact CB-CD1 4.31Å; E669-L702 HydrophobicContact CB-CD2 4.28Å; E669-L702 HydrophobicContact CG-CD2 4.45Å; M673-L702 HydrophobicContact CE-CD1 4.02Å; M673-L702 HydrophobicContact CE-CD2 3.36Å; M673-L702 HydrophobicContact CE-CG 3.59Å; M673-L702 HydrophobicContact CG-CD1 4.02Å; M673-L702 HydrophobicContact SD-CG 4.47Å; P698-L702 HydrophobicContact CB-CD2 4.06Å; S699-L702 WeakPolarHBondContact O-CB 3.21Å; S699-L702 PolarHBondContact O-N 3.25Å; D700-L702 VanDerWaalsContact C-N 3.35Å; L702-W704 HydrophobicContact CD2-CZ2 4.26Å
703	L	86.4	Confident	87.9	Confident	69 Å²	69	55 Å²	55	36%	0.361	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	113.1	176.2	-164.1	79.9	0	0	0	109.7	L556 D701	L556-L703 HydrophobicContact CG-CD2 4.46Å; D701-L703 PolarHBondContact O-N 3.29Å
704	W	90.1	Very high	87.9	Confident	3 Å²	3	54.9 Å²	54.9	1%	0.011	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	139.9	179.5	-67.2	67.3	0	0	0	110.4	H551 K552 A553 G554 L672 M673 L676 V690 W692 P698 L702 D706 I711 V713	H551-W704 HydrophobicContact CB-CD2 4.36Å; H551-W704 HydrophobicContact CB-CG 4.19Å; H551-W704 AromaticContact CD2-CD1 3.89Å; H551-W704 AromaticContact CD2-CD2 3.83Å; H551-W704 AromaticContact CD2-CG 3.58Å; K552-W704 PolarHBondContact O-N 3.45Å; A553-W704 CarbonylContact C-O 3.59Å; A553-W704 VanDerWaalsContact CA-O 3.32Å; A553-W704 WeakPolarHBondContact CA-O 3.26Å; G554-W704 PolarHBondContact N-O 3Å; L672-W704 HydrophobicContact CD2-CH2 4.07Å; L672-W704 HydrophobicContact CD2-CZ3 4.29Å; M673-W704 HydrophobicContact CE-CD2 3.45Å; M673-W704 VanDerWaalsContact CE-CD2 3.45Å; M673-W704 HydrophobicContact CE-CE3 3.62Å; M673-W704 HydrophobicContact CE-CG 3.98Å; M673-W704 HydrophobicContact CE-CH2 3.93Å; M673-W704 HydrophobicContact CE-CZ2 3.78Å; M673-W704 HydrophobicContact CE-CZ3 3.85Å; M673-W704 HydrophobicContact SD-CD2 4.29Å; M673-W704 HydrophobicContact SD-CE3 4.33Å; M673-W704 HydrophobicContact SD-CG 4.42Å; L676-W704 HydrophobicContact CD1-CE3 3.72Å; L676-W704 HydrophobicContact CD1-CZ3 3.67Å; V690-W704 HydrophobicContact CB-CZ3 4.41Å; V690-W704 HydrophobicContact CG1-CH2 4.25Å; V690-W704 HydrophobicContact CG1-CZ3 4.46Å; V690-W704 HydrophobicContact CG2-CZ3 4.05Å; W692-W704 HydrophobicContact CZ3-CH2 4.32Å; W692-W704 HydrophobicContact CZ3-CZ2 4.39Å; P698-W704 HydrophobicContact CB-CZ2 4.26Å; P698-W704 HydrophobicContact CG-CZ2 4.22Å; L702-W704 HydrophobicContact CD2-CZ2 4.26Å; W704-D706 PolarHBondContact O-N 3.01Å; W704-I711 HydrophobicContact CE3-CG2 3.85Å; W704-I711 HydrophobicContact CZ3-CG2 3.94Å; W704-V713 HydrophobicContact CD2-CG2 4.46Å; W704-V713 HydrophobicContact CE3-CG2 4.14Å; W704-V713 HydrophobicContact CH2-CB 4.31Å; W704-V713 HydrophobicContact CH2-CG1 4.02Å; W704-V713 HydrophobicContact CH2-CG2 3.28Å; W704-V713 HydrophobicContact CZ2-CG1 4.31Å; W704-V713 HydrophobicContact CZ2-CG2 3.65Å; W704-V713 HydrophobicContact CZ3-CG2 3.55Å
705	P	88.2	Confident	88.1	Confident	11 Å²	11	62.3 Å²	62.3	7%	0.071	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	132.2	-178.1	26.1	-33.7	0	0	0	111.1	M673 L676 E677 I707 I711	M673-P705 WeakPolarHBondContact SD-CD 3.35Å; M673-P705 HydrophobicContact SD-CG 4.49Å; L676-P705 HydrophobicContact CB-CG 3.53Å; L676-P705 HydrophobicContact CD1-CG 4.36Å; E677-P705 HydrophobicContact CB-CB 4.25Å; P705-I707 HydrophobicContact CB-CG2 4.27Å; P705-I707 HydrophobicContact CG-CG2 4.42Å; P705-I707 PolarHBondContact O-N 2.79Å; P705-I707 VanDerWaalsContact O-N 3.14Å; P705-I711 HydrophobicContact CG-CD1 4.42Å; P705-I711 WeakPolarHBondContact O-CD1 3.33Å
706	D	85.8	Confident	88.4	Confident	84 Å²	84	58.4 Å²	58.4	45%	0.449	32%	0.323	S	S	.	.			trans	-79.5	90.5	170.8	-179.1	14.5	0	0	0	110.2	W704 G708	W704-D706 PolarHBondContact O-N 3.01Å; D706-G708 VanDerWaalsContact C-N 3.26Å; D706-G708 PolarHBondContact OD1-N 2.77Å
707	I	84.4	Confident	88.4	Confident	6 Å²	6	60.9 Å²	60.9	3%	0.031	34%	0.337	C	S	.	.			trans	-84.7	5.3	178.3	64.3	171.8	0	0	0	113.3	L676 N680 V688 P705 L709 I711	L676-I707 WeakPolarHBondContact O-CG2 3.43Å; N680-I707 HydrophobicContact CB-CB 4.35Å; N680-I707 HydrophobicContact CB-CG2 4.16Å; V688-I707 HydrophobicContact CG2-CD1 3.72Å; P705-I707 HydrophobicContact CB-CG2 4.27Å; P705-I707 HydrophobicContact CG-CG2 4.42Å; P705-I707 PolarHBondContact O-N 2.79Å; P705-I707 VanDerWaalsContact O-N 3.14Å; I707-L709 HydrophobicContact CD1-CB 4.4Å; I707-L709 HydrophobicContact CG1-CB 4.3Å; I707-L709 PolarHBondContact O-N 3.04Å; I707-I711 HydrophobicContact CD1-CD1 4.12Å; I707-I711 HydrophobicContact CD1-CG1 3.89Å; I707-I711 HydrophobicContact CG1-CD1 4.15Å; I707-I711 HydrophobicContact CG1-CG1 4.16Å
708	G	79.9	Confident	88.6	Confident	66 Å²	66	61.9 Å²	61.9	68%	0.68	33%	0.331	S	S	*	.	S	Bend	trans	75.8	1.6	-176.2	0	0	0	0	0	115.3	D706	D706-G708 VanDerWaalsContact C-N 3.26Å; D706-G708 PolarHBondContact OD1-N 2.77Å
709	L	84.6	Confident	88.8	Confident	43 Å²	43	64.2 Å²	64.2	23%	0.225	34%	0.343	C	S	.	.	S	Bend	trans	-132.7	157.2	179.7	-68.1	168.9	0	0	0	110.7	P579 L685 I707 I711	P579-L709 HydrophobicContact CG-CD2 3.69Å; L685-L709 HydrophobicContact CB-CD1 3.7Å; L685-L709 HydrophobicContact CD2-CD1 3.8Å; L685-L709 HydrophobicContact CG-CD1 3.7Å; L685-L709 VanDerWaalsContact O-CD1 3.27Å; L685-L709 WeakPolarHBondContact O-CD1 3.42Å; I707-L709 HydrophobicContact CD1-CB 4.4Å; I707-L709 HydrophobicContact CG1-CB 4.3Å; I707-L709 PolarHBondContact O-N 3.04Å; L709-I711 PolarHBondContact O-N 3.37Å
710	P	89.9	Confident	89.2	Confident	64 Å²	64	61.3 Å²	61.3	42%	0.416	32%	0.323	S	S	.	.			trans	-62	129.8	179.5	-21.4	33.2	0	0	0	112.3	K687 V688	K687-P710 WeakPolarHBondContact CA-O 3.22Å; K687-P710 HydrophobicContact CB-CB 4.27Å; K687-P710 WeakPolarHBondContact CB-O 3.44Å; V688-P710 PolarHBondContact N-O 2.91Å
711	I	93.6	Very high	89.8	Confident	14 Å²	14	55 Å²	55	7%	0.072	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	123.4	164.4	-57.8	174.7	0	0	0	106.3	H551 L676 V688 V690 W704 P705 I707 L709 V713	H551-I711 PolarHBondContact CE1-O 3.27Å; H551-I711 PolarHBondContact NE2-O 2.9Å; L676-I711 HydrophobicContact CD1-CD1 4.49Å; V688-I711 HydrophobicContact CB-CG1 4.49Å; V688-I711 CarbonylContact O-C 3.58Å; V688-I711 WeakPolarHBondContact O-CA 3.3Å; V690-I711 HydrophobicContact CG2-CG2 4.11Å; W704-I711 HydrophobicContact CE3-CG2 3.85Å; W704-I711 HydrophobicContact CZ3-CG2 3.94Å; P705-I711 HydrophobicContact CG-CD1 4.42Å; P705-I711 WeakPolarHBondContact O-CD1 3.33Å; I707-I711 HydrophobicContact CD1-CD1 4.12Å; I707-I711 HydrophobicContact CD1-CG1 3.89Å; I707-I711 HydrophobicContact CG1-CD1 4.15Å; I707-I711 HydrophobicContact CG1-CG1 4.16Å; L709-I711 PolarHBondContact O-N 3.37Å; I711-V713 HydrophobicContact CG2-CG2 4.39Å
712	V	95.1	Very high	90.5	Very high	14 Å²	14	47.8 Å²	47.8	9%	0.085	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	119	179.2	-178.5	0	0	0	0	108	E548 K687 V688 V689 V690 V714 V730	E548-V712 HydrophobicContact CG-CG1 4.14Å; K687-V712 HydrophobicContact CD-CG2 4.46Å; V688-V712 PolarHBondContact O-N 3.19Å; V689-V712 CarbonylContact C-O 3.32Å; V689-V712 WeakPolarHBondContact CA-O 3.23Å; V690-V712 PolarHBondContact N-O 2.96Å; V712-V714 HydrophobicContact CG1-CG2 4.12Å; V712-V730 HydrophobicContact CG1-CG1 4.25Å; V712-V730 HydrophobicContact CG1-CG2 4.4Å
713	V	95.3	Very high	91.1	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	111.3	-178.6	-172.5	0	0	0	0	108.5	E548 I549 V690 W692 W704 I711	E548-V713 CarbonylContact C-O 3.52Å; E548-V713 VanDerWaalsContact CA-O 3.28Å; E548-V713 WeakPolarHBondContact CA-O 3.38Å; I549-V713 HydrophobicContact CB-CB 4.21Å; I549-V713 HydrophobicContact CB-CG1 4.08Å; I549-V713 HydrophobicContact CD1-CG1 4.13Å; I549-V713 HydrophobicContact CG1-CG1 4.37Å; I549-V713 PolarHBondContact N-O 2.92Å; V690-V713 HydrophobicContact CB-CG2 4.46Å; V690-V713 CarbonylContact O-C 3.14Å; V690-V713 WeakPolarHBondContact O-CA 3.28Å; W692-V713 HydrophobicContact CB-CG1 4.13Å; W692-V713 HydrophobicContact CE3-CG1 4.27Å; W704-V713 HydrophobicContact CD2-CG2 4.46Å; W704-V713 HydrophobicContact CE3-CG2 4.14Å; W704-V713 HydrophobicContact CH2-CB 4.31Å; W704-V713 HydrophobicContact CH2-CG1 4.02Å; W704-V713 HydrophobicContact CH2-CG2 3.28Å; W704-V713 HydrophobicContact CZ2-CG1 4.31Å; W704-V713 HydrophobicContact CZ2-CG2 3.65Å; W704-V713 HydrophobicContact CZ3-CG2 3.55Å; I711-V713 HydrophobicContact CG2-CG2 4.39Å
714	V	95.5	Very high	91.5	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	123.9	-174.7	-177.2	0	0	0	0	110	A546 V689 V690 W692 V712 W728 V730	A546-V714 HydrophobicContact CB-CB 4.44Å; A546-V714 HydrophobicContact CB-CG1 3.83Å; A546-V714 HydrophobicContact CB-CG2 3.73Å; V689-V714 HydrophobicContact CG1-CG2 3.73Å; V690-V714 PolarHBondContact O-N 2.85Å; W692-V714 WeakPolarHBondContact CB-O 3.15Å; W692-V714 PolarHBondContact N-O 3.2Å; V712-V714 HydrophobicContact CG1-CG2 4.12Å; V714-W728 HydrophobicContact CG1-CD2 4.12Å; V714-W728 HydrophobicContact CG1-CE3 4.08Å; V714-W728 HydrophobicContact CG1-CH2 3.84Å; V714-W728 HydrophobicContact CG1-CZ2 3.85Å; V714-W728 HydrophobicContact CG1-CZ3 3.96Å; V714-V730 HydrophobicContact CG2-CG2 4.33Å
715	R	93.5	Very high	91.9	Very high	170 Å²	170	44.1 Å²	44.1	64%	0.642	23%	0.231	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-74.3	135.3	173.5	-172.8	175.9	179.7	175.9	0.6	110.7	H547 I549	H547-R715 HydrophobicContact CB-CB 4.42Å; H547-R715 WeakPolarHBondContact O-CB 3.45Å; H547-R715 PolarHBondContact O-N 3.42Å; I549-R715 HydrophobicContact CD1-CB 3.9Å; I549-R715 HydrophobicContact CD1-CG 4.32Å; I549-R715 HydrophobicContact CG1-CB 3.78Å
716	T	93.2	Very high	92.3	Very high	18 Å²	18	45.4 Å²	45.4	11%	0.11	24%	0.237	C	C	.	.			trans	-107.3	155.4	172.9	67.1	0	0	0	0	111.7	V691 W692 N723	V691-T716 HydrophobicContact CG1-CG2 3.54Å; W692-T716 WeakPolarHBondContact O-CG2 3.22Å; W692-T716 PolarHBondContact O-N 3.01Å; W692-T716 PolarHBondContact O-OG1 3.41Å; T716-N723 WeakPolarHBondContact CB-ND2 3.24Å; T716-N723 HydrophobicContact CG2-CB 3.93Å; T716-N723 WeakPolarHBondContact CG2-ND2 3.35Å
717	E	88.5	Confident	92.8	Very high	203 Å²	203	41.5 Å²	41.5	95%	0.949	22%	0.216	S	C	*	.	S	Bend	trans	-79.2	-37.3	179.2	-62.3	-173.2	163.8	0	0	112.7
718	K	91.9	Very high	93.4	Very high	115 Å²	115	42 Å²	42	50%	0.5	22%	0.218	S	C	.	.	S	Bend	trans	-137.5	152.1	-179.3	63.3	172.2	176	174.1	0	110.7	S720 N723 D822	K718-S720 PolarHBondContact O-N 3.24Å; K718-N723 PolarHBondContact O-ND2 3.12Å; K718-D822 IonicContact NZ-OD2 3.54Å; K718-D822 PolarHBondContact NZ-OD2 2.97Å
719	N	92.9	Very high	94.1	Very high	62 Å²	62	42.2 Å²	42.2	33%	0.332	20%	0.203	S	C	.	.			trans	-67.8	105.2	169.1	-179.2	23.6	0	0	0	109.4	Y666 N693	Y666-N719 HydrophobicContact CE2-CB 4.38Å; Y666-N719 WeakPolarHBondContact CE2-ND2 3.11Å; N693-N719 PolarHBondContact ND2-OD1 3.02Å; N693-N719 VanDerWaalsContact ND2-OD1 3.13Å
720	S	95.3	Very high	94.6	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.014	20%	0.201	C	C	.	.			trans	-146.1	132.6	-179.5	168.8	0	0	0	0	110.4	N693 K718 N722 N723 D822	N693-S720 VanDerWaalsContact ND2-C 3.32Å; N693-S720 PolarHBondContact ND2-N 3.11Å; N693-S720 VanDerWaalsContact ND2-N 3.19Å; N693-S720 PolarHBondContact ND2-O 3.45Å; K718-S720 PolarHBondContact O-N 3.24Å; S720-N722 PolarHBondContact O-N 3.23Å; S720-N722 WeakPolarHBondContact OG-CB 3.4Å; S720-N722 PolarHBondContact OG-N 2.79Å; S720-N722 VanDerWaalsContact OG-N 3.12Å; S720-N722 PolarHBondContact OG-ND2 3.47Å; S720-N723 WeakPolarHBondContact O-CB 3.49Å; S720-N723 PolarHBondContact O-N 2.95Å; S720-N723 PolarHBondContact O-ND2 2.94Å; S720-D822 VanDerWaalsContact CB-OD1 3.28Å; S720-D822 WeakPolarHBondContact CB-OD1 3.26Å; S720-D822 PolarHBondContact OG-OD1 3.05Å
721	L	95.3	Very high	94.9	Very high	18 Å²	18	38.7 Å²	38.7	9%	0.094	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-66.6	-20.9	174.6	-63.6	-173.4	0	0	0	112.4	L664 N723 R724 V821 I825 E828	L664-L721 HydrophobicContact CD2-CD2 4.1Å; L721-N723 PolarHBondContact O-N 3.46Å; L721-R724 WeakPolarHBondContact O-CG 3.48Å; L721-V821 HydrophobicContact CB-CG1 4.29Å; L721-I825 VanDerWaalsContact CD1-C 3.41Å; L721-I825 HydrophobicContact CD1-CG2 4.18Å; L721-I825 VanDerWaalsContact CD1-O 3.27Å; L721-I825 WeakPolarHBondContact CD1-O 3.33Å; L721-I825 HydrophobicContact CD2-CG2 4.39Å; L721-I825 HydrophobicContact CG-CG2 3.92Å; L721-E828 HydrophobicContact CB-CB 4.05Å; L721-E828 HydrophobicContact CB-CG 3.97Å; L721-E828 WeakPolarHBondContact CD1-OE2 3.35Å
722	N	96.8	Very high	94.9	Very high	11 Å²	11	42.1 Å²	42.1	6%	0.059	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-63.3	-24.9	176.2	-66.2	-59.6	0	0	0	112.6	S720 R724 F725 Y809 R818 V821 D822	S720-N722 PolarHBondContact O-N 3.23Å; S720-N722 WeakPolarHBondContact OG-CB 3.4Å; S720-N722 PolarHBondContact OG-N 2.79Å; S720-N722 VanDerWaalsContact OG-N 3.12Å; S720-N722 PolarHBondContact OG-ND2 3.47Å; N722-R724 PolarHBondContact O-N 3.46Å; N722-R724 VanDerWaalsContact O-N 3.12Å; N722-F725 PolarHBondContact O-N 3.39Å; N722-Y809 HydrophobicContact CB-CE1 4.27Å; N722-Y809 VanDerWaalsContact OD1-CE1 3.23Å; N722-Y809 WeakPolarHBondContact OD1-CE1 3.35Å; N722-Y809 VanDerWaalsContact OD1-CZ 3.32Å; N722-Y809 PolarHBondContact OD1-OH 2.88Å; N722-R818 PolarHBondContact ND2-O 3.07Å; N722-V821 WeakPolarHBondContact OD1-CG1 3.45Å; N722-D822 PolarHBondContact ND2-OD1 3.3Å
723	N	96.6	Very high	94.9	Very high	16 Å²	16	41.4 Å²	41.4	9%	0.086	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-59.7	-26.8	-174.6	-65.9	-24.1	0	0	0	113.6	L664 V691 N693 T716 K718 S720 L721 F725 L726 W728	L664-N723 HydrophobicContact CD1-CB 4.45Å; V691-N723 HydrophobicContact CG1-CB 3.6Å; N693-N723 PolarHBondContact OD1-ND2 3.18Å; T716-N723 WeakPolarHBondContact CB-ND2 3.24Å; T716-N723 HydrophobicContact CG2-CB 3.93Å; T716-N723 WeakPolarHBondContact CG2-ND2 3.35Å; K718-N723 PolarHBondContact O-ND2 3.12Å; S720-N723 WeakPolarHBondContact O-CB 3.49Å; S720-N723 PolarHBondContact O-N 2.95Å; S720-N723 PolarHBondContact O-ND2 2.94Å; L721-N723 PolarHBondContact O-N 3.46Å; N723-F725 PolarHBondContact O-N 2.94Å; N723-L726 HydrophobicContact CB-CD1 4.45Å; N723-L726 PolarHBondContact O-N 3.47Å; N723-W728 PolarHBondContact O-NE1 3.41Å; N723-W728 VanDerWaalsContact O-NE1 3.15Å
724	R	95.5	Very high	94.9	Very high	9 Å²	9	42.4 Å²	42.4	3%	0.034	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-70.7	-17.8	177.6	79.1	-171.6	-67	170.4	13.9	113.8	V662 L664 L721 N722 S738 I739 D740 T796 E828	V662-R724 HydrophobicContact CG1-CB 4.32Å; L664-R724 HydrophobicContact CB-CB 4.04Å; L664-R724 HydrophobicContact CD1-CB 3.86Å; L721-R724 WeakPolarHBondContact O-CG 3.48Å; N722-R724 PolarHBondContact O-N 3.46Å; N722-R724 VanDerWaalsContact O-N 3.12Å; R724-S738 PolarHBondContact NE-OG 3.49Å; R724-S738 PolarHBondContact NH2-OG 3.2Å; R724-I739 PolarHBondContact NH2-O 3.12Å; R724-D740 IonicContact CZ-OD1 2.74Å; R724-D740 VanDerWaalsContact CZ-OD1 3.3Å; R724-D740 IonicContact NH1-OD1 2.94Å; R724-D740 PolarHBondContact NH1-OD1 2.99Å; R724-D740 IonicContact NH2-OD1 3.43Å; R724-D740 PolarHBondContact NH2-OD1 3.33Å; R724-T796 PolarHBondContact NH2-O 3.46Å; R724-E828 IonicContact NH1-OE1 4Å; R724-E828 PolarHBondContact NH1-OE1 2.98Å
725	F	97.5	Very high	94.9	Very high	1 Å²	1	42.5 Å²	42.5	0%	0.004	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-105.9	2.3	-178.9	-58.1	-49	0	0	0	113.3	N722 N723 T796 F801 A806 Y809 E828 M832	N722-F725 PolarHBondContact O-N 3.39Å; N723-F725 PolarHBondContact O-N 2.94Å; F725-T796 HydrophobicContact CE1-CG2 4.19Å; F725-T796 HydrophobicContact CZ-CG2 4.04Å; F725-T796 WeakPolarHBondContact CZ-OG1 3.39Å; F725-F801 HydrophobicContact CD1-CE1 4.17Å; F725-F801 AromaticContact CD1-CZ 3.78Å; F725-F801 HydrophobicContact CD1-CZ 3.78Å; F725-F801 AromaticContact CE1-CE1 3.99Å; F725-F801 HydrophobicContact CE1-CE1 3.99Å; F725-F801 HydrophobicContact CE1-CZ 4.08Å; F725-A806 WeakPolarHBondContact O-CA 3.44Å; F725-A806 VanDerWaalsContact O-CB 3.25Å; F725-A806 WeakPolarHBondContact O-CB 3.44Å; F725-Y809 HydrophobicContact CB-CD1 3.77Å; F725-Y809 HydrophobicContact CB-CE1 4.16Å; F725-Y809 HydrophobicContact CB-CG 4.07Å; F725-Y809 HydrophobicContact CD2-CD1 4.12Å; F725-Y809 HydrophobicContact CD2-CD2 4.14Å; F725-Y809 AromaticContact CD2-CE1 3.79Å; F725-Y809 HydrophobicContact CD2-CE1 3.79Å; F725-Y809 AromaticContact CD2-CE2 3.8Å; F725-Y809 HydrophobicContact CD2-CE2 3.8Å; F725-Y809 HydrophobicContact CD2-CG 4.3Å; F725-Y809 AromaticContact CD2-CZ 3.62Å; F725-Y809 HydrophobicContact CE2-CE2 4.11Å; F725-Y809 HydrophobicContact CG-CD1 4.37Å; F725-Y809 HydrophobicContact CG-CE1 4.45Å; F725-Y809 HydrophobicContact CG-CG 4.46Å; F725-E828 HydrophobicContact CE2-CB 3.78Å; F725-E828 HydrophobicContact CE2-CG 3.54Å; F725-E828 HydrophobicContact CZ-CG 4.05Å; F725-M832 HydrophobicContact CB-CE 4.04Å; F725-M832 HydrophobicContact CD1-CE 3.45Å; F725-M832 VanDerWaalsContact CD1-CE 3.45Å; F725-M832 HydrophobicContact CD2-CE 4.03Å; F725-M832 HydrophobicContact CE1-CE 3.8Å; F725-M832 HydrophobicContact CE2-CB 4.38Å; F725-M832 HydrophobicContact CE2-CE 4.29Å; F725-M832 HydrophobicContact CG-CE 3.59Å; F725-M832 HydrophobicContact CZ-CB 4.19Å; F725-M832 HydrophobicContact CZ-CE 4.2Å
726	L	96.9	Very high	95.2	Very high	37 Å²	37	34.7 Å²	34.7	19%	0.194	17%	0.17	C	C	.	.	S	Bend	trans	-62.3	136.8	172.6	-67.5	172.9	0	0	0	109.5	E544 N723 W728	E544-L726 HydrophobicContact CB-CB 4.45Å; E544-L726 HydrophobicContact CG-CB 4.28Å; E544-L726 HydrophobicContact CG-CD2 4.22Å; N723-L726 HydrophobicContact CB-CD1 4.45Å; N723-L726 PolarHBondContact O-N 3.47Å; L726-W728 HydrophobicContact CB-CD2 4.16Å; L726-W728 HydrophobicContact CB-CG 4.5Å; L726-W728 HydrophobicContact CB-CZ2 4.04Å; L726-W728 HydrophobicContact CD1-CH2 3.67Å; L726-W728 HydrophobicContact CD1-CZ2 3.41Å; L726-W728 VanDerWaalsContact CD1-CZ2 3.41Å; L726-W728 HydrophobicContact CD1-CZ3 4.48Å; L726-W728 HydrophobicContact CG-CZ2 4.33Å; L726-W728 PolarHBondContact O-N 3.04Å
727	P	96.4	Very high	95.4	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.013	17%	0.165	C	C	.	.			trans	-77.3	68.3	178.2	32.8	-35.8	0	0	0	109.9	E544 D729 A806 Y807 S810 Y811	E544-P727 HydrophobicContact CG-CG 4.17Å; E544-P727 PolarHBondContact N-O 2.83Å; P727-D729 PolarHBondContact O-N 3.38Å; P727-A806 HydrophobicContact CB-CB 4.15Å; P727-Y807 HydrophobicContact CB-CD1 3.56Å; P727-Y807 HydrophobicContact CB-CD2 4.38Å; P727-Y807 HydrophobicContact CB-CE1 3.44Å; P727-Y807 VanDerWaalsContact CB-CE1 3.44Å; P727-Y807 HydrophobicContact CB-CE2 4.31Å; P727-Y807 HydrophobicContact CB-CG 4.03Å; P727-Y807 HydrophobicContact CG-CD1 3.67Å; P727-Y807 HydrophobicContact CG-CE1 3.86Å; P727-Y807 HydrophobicContact CG-CG 4.36Å; P727-S810 WeakPolarHBondContact CD-OG 3.46Å; P727-Y811 HydrophobicContact CG-CE2 3.7Å
728	W	96.9	Very high	95.8	Very high	16 Å²	16	24.2 Å²	24.2	6%	0.061	12%	0.12	C	C	.	.	B	Isolated β-bridge	trans	-55.5	135.7	179.9	-62.4	113.6	0	0	0	111.2	E544 P545 A546 V714 N723 L726 V730 V731 K803	E544-W728 HydrophobicContact CB-CE3 3.86Å; E544-W728 HydrophobicContact CB-CZ3 4.1Å; E544-W728 CarbonylContact O-C 3.58Å; E544-W728 WeakPolarHBondContact O-CA 3.13Å; P545-W728 WeakPolarHBondContact O-CZ3 3.49Å; A546-W728 HydrophobicContact CB-CD2 4.46Å; A546-W728 HydrophobicContact CB-CE3 3.93Å; V714-W728 HydrophobicContact CG1-CD2 4.12Å; V714-W728 HydrophobicContact CG1-CE3 4.08Å; V714-W728 HydrophobicContact CG1-CH2 3.84Å; V714-W728 HydrophobicContact CG1-CZ2 3.85Å; V714-W728 HydrophobicContact CG1-CZ3 3.96Å; N723-W728 PolarHBondContact O-NE1 3.41Å; N723-W728 VanDerWaalsContact O-NE1 3.15Å; L726-W728 HydrophobicContact CB-CD2 4.16Å; L726-W728 HydrophobicContact CB-CG 4.5Å; L726-W728 HydrophobicContact CB-CZ2 4.04Å; L726-W728 HydrophobicContact CD1-CH2 3.67Å; L726-W728 HydrophobicContact CD1-CZ2 3.41Å; L726-W728 VanDerWaalsContact CD1-CZ2 3.41Å; L726-W728 HydrophobicContact CD1-CZ3 4.48Å; L726-W728 HydrophobicContact CG-CZ2 4.33Å; L726-W728 PolarHBondContact O-N 3.04Å; W728-V730 HydrophobicContact CB-CG2 3.91Å; W728-V730 PolarHBondContact O-N 2.96Å; W728-V731 HydrophobicContact CB-CG2 4.1Å; W728-V731 WeakPolarHBondContact O-CB 3.34Å; W728-V731 PolarHBondContact O-N 3.24Å; W728-K803 PolarHBondContact O-NZ 2.91Å
729	D	95.3	Very high	96	Very high	72 Å²	72	19.1 Å²	19.1	39%	0.385	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-33	177.5	61.5	-13.2	0	0	0	112.7	D543 E544 A546 P727 V731	D543-D729 HydrophobicContact CB-CB 3.83Å; E544-D729 PolarHBondContact O-N 2.91Å; A546-D729 WeakPolarHBondContact CB-OD1 3.48Å; A546-D729 PolarHBondContact N-OD1 3.36Å; P727-D729 PolarHBondContact O-N 3.38Å; D729-V731 PolarHBondContact O-N 2.91Å
730	V	95.6	Very high	95.9	Very high	30 Å²	30	18.9 Å²	18.9	18%	0.182	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-18.6	175.6	-66.1	0	0	0	0	114.2	A546 K687 V689 V712 V714 W728 E732	A546-V730 HydrophobicContact CB-CB 4.39Å; A546-V730 HydrophobicContact CB-CG1 3.77Å; A546-V730 HydrophobicContact CB-CG2 3.74Å; K687-V730 WeakPolarHBondContact CD-O 3.36Å; K687-V730 WeakPolarHBondContact CE-O 3.44Å; K687-V730 PolarHBondContact NZ-O 3.05Å; V689-V730 HydrophobicContact CG1-CG2 4.31Å; V689-V730 HydrophobicContact CG2-CG2 4.04Å; V712-V730 HydrophobicContact CG1-CG1 4.25Å; V712-V730 HydrophobicContact CG1-CG2 4.4Å; V714-V730 HydrophobicContact CG2-CG2 4.33Å; W728-V730 HydrophobicContact CB-CG2 3.91Å; W728-V730 PolarHBondContact O-N 2.96Å; V730-E732 PolarHBondContact O-N 3.2Å
731	V	96.3	Very high	95.6	Very high	3 Å²	3	19.2 Å²	19.2	2%	0.018	10%	0.098	C	C	.	.			trans	-83.7	96.7	176.8	-179.9	0	0	0	0	109.2	T660 V662 V689 W728 D729 I736 K803	T660-V731 HydrophobicContact CG2-CG1 4.25Å; T660-V731 HydrophobicContact CG2-CG2 4.22Å; V662-V731 HydrophobicContact CG2-CG2 4.4Å; V689-V731 HydrophobicContact CG2-CG2 4.04Å; W728-V731 HydrophobicContact CB-CG2 4.1Å; W728-V731 WeakPolarHBondContact O-CB 3.34Å; W728-V731 PolarHBondContact O-N 3.24Å; D729-V731 PolarHBondContact O-N 2.91Å; V731-I736 HydrophobicContact CG1-CD1 3.93Å; V731-I736 HydrophobicContact CG1-CG1 3.9Å; V731-K803 HydrophobicContact CG1-CD 4.26Å; V731-K803 WeakPolarHBondContact O-CE 3.44Å; V731-K803 PolarHBondContact O-NZ 3.34Å
732	E	93	Very high	95.1	Very high	85 Å²	85	19.6 Å²	19.6	40%	0.397	10%	0.101	S	C	.	.			trans	-99.1	5.7	-172	-64.8	169.9	141.4	0	0	113.7	A581 S582 K687 V730	A581-E732 HydrophobicContact CB-CB 3.77Å; A581-E732 HydrophobicContact CB-CG 4.42Å; S582-E732 WeakPolarHBondContact CB-O 3.25Å; S582-E732 PolarHBondContact N-O 3.45Å; K687-E732 IonicContact NZ-OE2 3.31Å; K687-E732 PolarHBondContact NZ-OE2 3.38Å; V730-E732 PolarHBondContact O-N 3.2Å
733	T	94.9	Very high	94.6	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.101	C	C	.	.	S	Bend	trans	-107.5	149.2	-178.8	58.5	0	0	0	0	112.3	S582 Q658 T660 N686 A735	S582-T733 WeakPolarHBondContact OG-CA 3.46Å; Q658-T733 HydrophobicContact CB-CG2 4.32Å; Q658-T733 WeakPolarHBondContact O-CB 3.42Å; T660-T733 VanDerWaalsContact CB-OG1 3.27Å; T660-T733 WeakPolarHBondContact CB-OG1 3.48Å; T660-T733 PolarHBondContact N-OG1 2.86Å; T660-T733 PolarHBondContact OG1-OG1 2.89Å; N686-T733 HydrophobicContact CB-CG2 3.6Å; T733-A735 VanDerWaalsContact C-N 3.34Å; T733-A735 PolarHBondContact OG1-O 3.34Å
734	E	94.8	Very high	94	Very high	20 Å²	20	21.4 Å²	21.4	9%	0.093	11%	0.109	C	C	.	.	S	Bend	trans	-65.9	-36.2	173	-74.5	178.9	-146.3	0	0	113	S582 H612 W757 R761 H802 K803	S582-E734 PolarHBondContact OG-N 2.71Å; S582-E734 VanDerWaalsContact OG-N 3.13Å; H612-E734 HydrophobicContact CB-CG 3.83Å; H612-E734 WeakPolarHBondContact ND1-CG 3.47Å; H612-E734 IonicContact ND1-OE1 2.81Å; E734-W757 HydrophobicContact CB-CH2 4.19Å; E734-R761 IonicContact OE2-NH1 3.77Å; E734-R761 PolarHBondContact OE2-NH1 2.99Å; E734-H802 CarbonylContact O-C 3.58Å; E734-H802 WeakPolarHBondContact O-CA 3.16Å; E734-H802 IonicContact OE2-NE2 3.73Å; E734-K803 PolarHBondContact O-N 3.32Å
735	A	96.8	Very high	93.6	Very high	2 Å²	2	21.9 Å²	21.9	2%	0.017	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	129.8	179.7	0	0	0	0	0	111	F659 T660 T733 F754 W757	F659-A735 HydrophobicContact CB-CB 3.61Å; T660-A735 PolarHBondContact N-O 2.76Å; T660-A735 VanDerWaalsContact N-O 3.11Å; T733-A735 VanDerWaalsContact C-N 3.34Å; T733-A735 PolarHBondContact OG1-O 3.34Å; A735-F754 HydrophobicContact CB-CD2 4.3Å; A735-F754 HydrophobicContact CB-CE2 3.71Å; A735-W757 HydrophobicContact CB-CD2 4.3Å; A735-W757 HydrophobicContact CB-CE3 3.82Å; A735-W757 HydrophobicContact CB-CH2 3.51Å; A735-W757 HydrophobicContact CB-CZ2 3.97Å; A735-W757 HydrophobicContact CB-CZ3 3.44Å; A735-W757 VanDerWaalsContact CB-CZ3 3.44Å
736	I	98.2	Very high	93	Very high	7 Å²	7	24.5 Å²	24.5	4%	0.036	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	121.1	170.9	-62	175.4	0	0	0	107.9	T660 V662 V731 F800 F801 K803	T660-I736 WeakPolarHBondContact O-CA 3.27Å; V662-I736 HydrophobicContact CB-CG2 4.18Å; V662-I736 HydrophobicContact CG2-CG2 3.69Å; V731-I736 HydrophobicContact CG1-CD1 3.93Å; V731-I736 HydrophobicContact CG1-CG1 3.9Å; I736-F800 VanDerWaalsContact O-CA 3.27Å; I736-F800 WeakPolarHBondContact O-CA 3.37Å; I736-F801 HydrophobicContact CB-CE1 4.36Å; I736-F801 HydrophobicContact CB-CE2 4.18Å; I736-F801 HydrophobicContact CB-CZ 4.05Å; I736-F801 HydrophobicContact CD1-CE2 3.95Å; I736-F801 HydrophobicContact CD1-CZ 4.23Å; I736-F801 HydrophobicContact CG2-CE1 3.99Å; I736-F801 HydrophobicContact CG2-CE2 4.37Å; I736-F801 HydrophobicContact CG2-CZ 3.76Å; I736-F801 PolarHBondContact N-O 3.37Å; I736-F801 PolarHBondContact O-N 2.99Å; I736-K803 HydrophobicContact CD1-CB 4Å; I736-K803 HydrophobicContact CD1-CG 4.13Å; I736-K803 HydrophobicContact CG1-CB 4.44Å
737	L	98.1	Very high	92.5	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	103.6	162.8	177.2	54.3	0	0	0	108	F659 T660 V661 V662 I750 F800	F659-L737 HydrophobicContact CD2-CB 4.05Å; F659-L737 HydrophobicContact CE2-CB 4.42Å; F659-L737 HydrophobicContact CE2-CD2 4.19Å; T660-L737 PolarHBondContact O-N 3.32Å; V661-L737 CarbonylContact C-O 3.5Å; V661-L737 WeakPolarHBondContact CA-O 3.35Å; V661-L737 HydrophobicContact CG2-CB 4.1Å; V661-L737 HydrophobicContact CG2-CD2 4.04Å; V661-L737 HydrophobicContact CG2-CG 4.34Å; V662-L737 PolarHBondContact N-O 2.76Å; L737-I750 HydrophobicContact CD2-CD1 4.42Å; L737-I750 HydrophobicContact CD2-CG1 4.29Å; L737-I750 HydrophobicContact CD2-CG2 3.69Å; L737-F800 HydrophobicContact CB-CD1 3.98Å; L737-F800 HydrophobicContact CB-CE1 3.62Å; L737-F800 HydrophobicContact CB-CZ 3.92Å; L737-F800 HydrophobicContact CD1-CD2 3.97Å; L737-F800 HydrophobicContact CD1-CE1 4.38Å; L737-F800 HydrophobicContact CD1-CE2 3.81Å; L737-F800 HydrophobicContact CD1-CG 4.32Å; L737-F800 HydrophobicContact CD1-CZ 4.03Å; L737-F800 HydrophobicContact CD2-CE1 4.43Å; L737-F800 HydrophobicContact CD2-CE2 4.27Å; L737-F800 HydrophobicContact CD2-CZ 3.87Å; L737-F800 HydrophobicContact CG-CE1 4.35Å; L737-F800 HydrophobicContact CG-CE2 4.44Å; L737-F800 HydrophobicContact CG-CZ 4.16Å
738	S	97.6	Very high	91.9	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	125.2	171.2	171.7	0	0	0	0	108.8	R724 T796 A798 A799	R724-S738 PolarHBondContact NE-OG 3.49Å; R724-S738 PolarHBondContact NH2-OG 3.2Å; S738-T796 CarbonylContact C-O 3.45Å; S738-T796 WeakPolarHBondContact CB-O 3.5Å; S738-T796 PolarHBondContact OG-O 3.48Å; S738-A798 WeakPolarHBondContact O-CA 3.37Å; S738-A798 PolarHBondContact O-N 3.05Å; S738-A799 PolarHBondContact N-O 3.41Å; S738-A799 PolarHBondContact O-N 3.21Å
739	I	94.5	Very high	91.5	Very high	8 Å²	8	23.1 Å²	23.1	4%	0.041	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	137.9	-176.4	-165.7	174.1	0	0	0	110.3	V661 V662 M663 R724 A743 L745 G797	V661-I739 HydrophobicContact CG1-CG2 3.55Å; V662-I739 PolarHBondContact O-N 3.23Å; V662-I739 VanDerWaalsContact O-N 3.08Å; M663-I739 HydrophobicContact CE-CG2 3.58Å; M663-I739 HydrophobicContact CG-CG2 3.39Å; M663-I739 HydrophobicContact SD-CG2 4.25Å; R724-I739 PolarHBondContact NH2-O 3.12Å; I739-A743 HydrophobicContact CD1-CB 4.15Å; I739-A743 HydrophobicContact CG1-CB 3.65Å; I739-L745 HydrophobicContact CD1-CD1 3.92Å; I739-L745 HydrophobicContact CD1-CG 4.41Å; I739-G797 CarbonylContact C-O 3.41Å; I739-G797 VanDerWaalsContact CA-O 3.24Å; I739-G797 WeakPolarHBondContact CA-O 3.35Å
740	D	92.3	Very high	91.3	Very high	57 Å²	57	19.7 Å²	19.7	31%	0.305	10%	0.098	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	150.3	173.6	-63.8	-16.8	0	0	0	110	R724 D742 A743 G797	R724-D740 IonicContact CZ-OD1 2.74Å; R724-D740 VanDerWaalsContact CZ-OD1 3.3Å; R724-D740 IonicContact NH1-OD1 2.94Å; R724-D740 PolarHBondContact NH1-OD1 2.99Å; R724-D740 IonicContact NH2-OD1 3.43Å; R724-D740 PolarHBondContact NH2-OD1 3.33Å; D740-D742 PolarHBondContact O-N 3.07Å; D740-A743 HydrophobicContact CB-CB 4.34Å; D740-A743 PolarHBondContact O-N 3.27Å; D740-A743 VanDerWaalsContact O-N 3.07Å; D740-G797 PolarHBondContact N-O 2.74Å; D740-G797 WeakPolarHBondContact OD1-CA 3.37Å; D740-G797 VanDerWaalsContact OD2-CA 3.28Å; D740-G797 WeakPolarHBondContact OD2-CA 3.39Å
741	D	89.3	Confident	91	Very high	9 Å²	9	18.3 Å²	18.3	5%	0.048	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-14.6	-176.5	64.4	-0.1	0	0	0	113.8	T665 R668 V671 L672 S675	T665-D741 WeakPolarHBondContact CA-OD2 3.45Å; T665-D741 WeakPolarHBondContact CB-OD2 3.38Å; T665-D741 PolarHBondContact OG1-OD2 3.13Å; R668-D741 WeakPolarHBondContact CD-OD2 3.48Å; R668-D741 IonicContact NH1-OD1 3.42Å; R668-D741 PolarHBondContact NH1-OD1 3.2Å; V671-D741 WeakPolarHBondContact CG1-O 3.32Å; L672-D741 HydrophobicContact CD1-CB 4.4Å; S675-D741 WeakPolarHBondContact CB-O 3.38Å; S675-D741 PolarHBondContact OG-O 3.47Å
742	D	84.6	Confident	90.7	Very high	27 Å²	27	18.7 Å²	18.7	14%	0.144	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.9	3.8	177.5	65	12.4	0	0	0	114.6	R668 V671 D740 H744 C855	R668-D742 IonicContact CZ-OD2 3.42Å; R668-D742 IonicContact NH1-OD2 3.06Å; R668-D742 PolarHBondContact NH1-OD2 2.9Å; V671-D742 HydrophobicContact CG1-CB 4.06Å; D740-D742 PolarHBondContact O-N 3.07Å; D742-H744 PolarHBondContact O-CE1 2.74Å; D742-H744 VanDerWaalsContact O-CE1 3.3Å; D742-H744 PolarHBondContact O-ND1 2.87Å; D742-C855 HydrophobicContact CB-CB 3.9Å
743	A	86.4	Confident	90.7	Very high	8 Å²	8	14.7 Å²	14.7	7%	0.066	7%	0.072	C	C	.	.			trans	-79.9	133.8	-178.3	0	0	0	0	0	112.4	I739 D740	I739-A743 HydrophobicContact CD1-CB 4.15Å; I739-A743 HydrophobicContact CG1-CB 3.65Å; D740-A743 HydrophobicContact CB-CB 4.34Å; D740-A743 PolarHBondContact O-N 3.27Å; D740-A743 VanDerWaalsContact O-N 3.07Å
744	H	83.9	Confident	90.6	Very high	56 Å²	56	14.7 Å²	14.7	26%	0.259	7%	0.072	S	C	.	.			trans	-109	93.5	-173.7	-70.2	54.2	0	0	0	111.3	R678 D742 R850 F853	R678-H744 PolarHBondContact NH1-CD2 3.26Å; R678-H744 PolarHBondContact NH1-NE2 2.87Å; R678-H744 PolarHBondContact NH2-CD2 2.78Å; R678-H744 PolarHBondContact NH2-NE2 2.95Å; D742-H744 PolarHBondContact O-CE1 2.74Å; D742-H744 VanDerWaalsContact O-CE1 3.3Å; D742-H744 PolarHBondContact O-ND1 2.87Å; H744-R850 PolarHBondContact O-NH1 3.03Å; H744-F853 WeakPolarHBondContact O-CE1 3.31Å
745	L	85.5	Confident	90.4	Very high	20 Å²	20	14.8 Å²	14.8	11%	0.105	7%	0.071	C	C	.	.			trans	-112.4	138.9	176.8	-73.7	176	0	0	0	111.9	I739 E749 I750 F767 A798 F853	I739-L745 HydrophobicContact CD1-CD1 3.92Å; I739-L745 HydrophobicContact CD1-CG 4.41Å; L745-E749 HydrophobicContact CD2-CB 4.42Å; L745-I750 HydrophobicContact CB-CD1 3.96Å; L745-I750 HydrophobicContact CB-CG1 3.78Å; L745-I750 HydrophobicContact CD1-CG1 4.03Å; L745-F767 HydrophobicContact CD1-CD2 3.94Å; L745-F767 HydrophobicContact CD1-CE2 3.54Å; L745-F767 HydrophobicContact CD1-CZ 4.19Å; L745-F767 HydrophobicContact CD2-CD1 4.18Å; L745-F767 HydrophobicContact CD2-CD2 3.8Å; L745-F767 HydrophobicContact CD2-CE1 4.18Å; L745-F767 HydrophobicContact CD2-CE2 3.83Å; L745-F767 HydrophobicContact CD2-CG 4.01Å; L745-F767 HydrophobicContact CD2-CZ 4.02Å; L745-F767 HydrophobicContact CG-CE2 4.37Å; L745-A798 HydrophobicContact CD1-CB 4.18Å; L745-F853 HydrophobicContact CD2-CE1 3.71Å; L745-F853 HydrophobicContact CD2-CZ 3.44Å; L745-F853 VanDerWaalsContact CD2-CZ 3.44Å; L745-F853 HydrophobicContact CG-CE1 4.26Å; L745-F853 HydrophobicContact CG-CZ 4.1Å
746	R	86.4	Confident	90.2	Very high	55 Å²	55	15.3 Å²	15.3	21%	0.208	7%	0.074	C	C	.	.			trans	-82.3	156.4	170.5	-62.5	-167.6	-45.7	-74.9	-3.7	110.9	D748 E749 I750 F914	R746-D748 VanDerWaalsContact C-N 3.3Å; R746-D748 WeakPolarHBondContact CB-OD1 3.43Å; R746-D748 IonicContact CZ-OD1 3.22Å; R746-D748 IonicContact CZ-OD2 3.46Å; R746-D748 IonicContact NE-OD1 3.06Å; R746-D748 PolarHBondContact NE-OD1 3.32Å; R746-D748 IonicContact NE-OD2 3.73Å; R746-D748 IonicContact NH2-OD1 2.83Å; R746-D748 PolarHBondContact NH2-OD1 2.84Å; R746-D748 IonicContact NH2-OD2 2.68Å; R746-D748 PolarHBondContact NH2-OD2 3.07Å; R746-D748 PolarHBondContact O-N 3.44Å; R746-E749 HydrophobicContact CB-CG 4.27Å; R746-E749 IonicContact CZ-OE1 2.73Å; R746-E749 PolarHBondContact N-OE2 3.49Å; R746-E749 VanDerWaalsContact NH1-CD 3.28Å; R746-E749 IonicContact NH1-OE1 3.51Å; R746-E749 PolarHBondContact NH1-OE1 3.2Å; R746-E749 IonicContact NH1-OE2 2.62Å; R746-E749 IonicContact NH2-OE1 2.67Å; R746-E749 WeakPolarHBondContact O-CB 3.3Å; R746-E749 PolarHBondContact O-N 3.06Å; R746-E749 VanDerWaalsContact O-N 3.16Å; R746-I750 WeakPolarHBondContact O-CG1 3.27Å; R746-I750 PolarHBondContact O-N 3Å; R746-F914 PolarHBondContact NH2-O 3.42Å
747	H	86.5	Confident	90.1	Very high	11 Å²	11	15 Å²	15	5%	0.051	7%	0.073	C	C	.	.	H	α-helix	trans	-57.1	-40.5	177.8	-67.6	163.9	0	0	0	113.2	N566 L571 R678 N680 L682 E749 I750 M751	N566-H747 PolarHBondContact OD1-ND1 3.49Å; L571-H747 HydrophobicContact CD1-CB 3.52Å; R678-H747 PolarHBondContact O-NE2 2.94Å; N680-H747 PolarHBondContact O-CE1 2.81Å; N680-H747 VanDerWaalsContact O-CE1 3.32Å; L682-H747 HydrophobicContact CD1-CB 4.08Å; H747-E749 VanDerWaalsContact C-N 3.33Å; H747-E749 PolarHBondContact O-N 3.37Å; H747-I750 PolarHBondContact O-N 2.89Å; H747-M751 WeakPolarHBondContact O-CB 3.41Å; H747-M751 VanDerWaalsContact O-CG 3.28Å; H747-M751 WeakPolarHBondContact O-CG 3.37Å; H747-M751 PolarHBondContact O-N 3.18Å
748	D	83.1	Confident	89.9	Confident	8 Å²	8	16 Å²	16	4%	0.043	8%	0.076	C	C	.	.	H	α-helix	trans	-64.7	-37.9	179.1	65.1	-37.8	0	0	0	112.1	L571 R746 F752 F912	L571-D748 HydrophobicContact CD1-CB 4.07Å; L571-D748 HydrophobicContact CD2-CB 3.93Å; R746-D748 VanDerWaalsContact C-N 3.3Å; R746-D748 WeakPolarHBondContact CB-OD1 3.43Å; R746-D748 IonicContact CZ-OD1 3.22Å; R746-D748 IonicContact CZ-OD2 3.46Å; R746-D748 IonicContact NE-OD1 3.06Å; R746-D748 PolarHBondContact NE-OD1 3.32Å; R746-D748 IonicContact NE-OD2 3.73Å; R746-D748 IonicContact NH2-OD1 2.83Å; R746-D748 PolarHBondContact NH2-OD1 2.84Å; R746-D748 IonicContact NH2-OD2 2.68Å; R746-D748 PolarHBondContact NH2-OD2 3.07Å; R746-D748 PolarHBondContact O-N 3.44Å; D748-F752 WeakPolarHBondContact O-CB 3.07Å; D748-F752 PolarHBondContact O-N 3.47Å; D748-F912 HydrophobicContact CB-CD1 4.24Å
749	E	87.9	Confident	89.5	Confident	7 Å²	7	24.2 Å²	24.2	3%	0.033	12%	0.115	C	C	.	.	H	α-helix	trans	-65.7	-45.5	174.7	-63	175.7	148.2	0	0	111.7	L745 R746 H747 F752 G753 F767 R850	L745-E749 HydrophobicContact CD2-CB 4.42Å; R746-E749 HydrophobicContact CB-CG 4.27Å; R746-E749 IonicContact CZ-OE1 2.73Å; R746-E749 PolarHBondContact N-OE2 3.49Å; R746-E749 VanDerWaalsContact NH1-CD 3.28Å; R746-E749 IonicContact NH1-OE1 3.51Å; R746-E749 PolarHBondContact NH1-OE1 3.2Å; R746-E749 IonicContact NH1-OE2 2.62Å; R746-E749 IonicContact NH2-OE1 2.67Å; R746-E749 WeakPolarHBondContact O-CB 3.3Å; R746-E749 PolarHBondContact O-N 3.06Å; R746-E749 VanDerWaalsContact O-N 3.16Å; H747-E749 VanDerWaalsContact C-N 3.33Å; H747-E749 PolarHBondContact O-N 3.37Å; E749-F752 PolarHBondContact O-N 2.77Å; E749-G753 PolarHBondContact O-N 3.36Å; E749-F767 HydrophobicContact CB-CE1 3.98Å; E749-F767 HydrophobicContact CB-CZ 4.42Å; E749-F767 WeakPolarHBondContact O-CZ 3.42Å; E749-R850 IonicContact OE1-CZ 3.08Å; E749-R850 IonicContact OE1-NE 3.59Å; E749-R850 PolarHBondContact OE1-NE 3.46Å; E749-R850 IonicContact OE1-NH1 3.46Å; E749-R850 PolarHBondContact OE1-NH1 3.45Å; E749-R850 IonicContact OE1-NH2 2.76Å; E749-R850 PolarHBondContact OE1-NH2 3.37Å; E749-R850 IonicContact OE2-CZ 3.94Å; E749-R850 VanDerWaalsContact OE2-CZ 3.22Å; E749-R850 IonicContact OE2-NE 3.82Å; E749-R850 IonicContact OE2-NH1 2.75Å; E749-R850 PolarHBondContact OE2-NH1 3Å; E749-R850 IonicContact OE2-NH2 3.52Å
750	I	91.4	Very high	89.5	Confident	1 Å²	1	24 Å²	24	1%	0.005	12%	0.115	C	C	.	.	H	α-helix	trans	-61.3	-48.5	177.3	-65.1	170.3	0	0	0	110.1	F659 L679 L682 L737 L745 R746 H747 F752 G753 F754 F800	F659-I750 HydrophobicContact CE2-CG2 4.15Å; F659-I750 HydrophobicContact CZ-CG2 3.84Å; L679-I750 HydrophobicContact CD2-CD1 4.27Å; L682-I750 HydrophobicContact CD1-CB 4.29Å; L682-I750 HydrophobicContact CD1-CD1 4.4Å; L682-I750 HydrophobicContact CD1-CG2 4.16Å; L682-I750 HydrophobicContact CD2-CD1 4.07Å; L682-I750 HydrophobicContact CD2-CG2 4.12Å; L737-I750 HydrophobicContact CD2-CD1 4.42Å; L737-I750 HydrophobicContact CD2-CG1 4.29Å; L737-I750 HydrophobicContact CD2-CG2 3.69Å; L745-I750 HydrophobicContact CB-CD1 3.96Å; L745-I750 HydrophobicContact CB-CG1 3.78Å; L745-I750 HydrophobicContact CD1-CG1 4.03Å; R746-I750 WeakPolarHBondContact O-CG1 3.27Å; R746-I750 PolarHBondContact O-N 3Å; H747-I750 PolarHBondContact O-N 2.89Å; I750-F752 VanDerWaalsContact C-N 3.33Å; I750-F752 PolarHBondContact O-N 3.09Å; I750-G753 PolarHBondContact O-N 2.95Å; I750-F754 PolarHBondContact O-N 3.12Å; I750-F800 HydrophobicContact CG2-CE2 4.33Å; I750-F800 HydrophobicContact CG2-CZ 3.91Å
751	M	89.4	Confident	89.6	Confident	1 Å²	1	22.8 Å²	22.8	1%	0.005	11%	0.106	C	C	.	.	H	α-helix	trans	-63.9	-37.3	-179.4	-73.8	-48.2	-50.5	0	0	112.9	L571 L650 F659 L682 P683 Y684 H747 F754 R755	L571-M751 HydrophobicContact CB-CG 4.3Å; L571-M751 HydrophobicContact CD1-CG 4.47Å; L650-M751 HydrophobicContact CD2-CE 3.58Å; F659-M751 HydrophobicContact CE1-SD 4.34Å; L682-M751 HydrophobicContact CD1-CG 4.42Å; L682-M751 HydrophobicContact CD1-SD 4.34Å; P683-M751 HydrophobicContact CB-SD 4.23Å; Y684-M751 HydrophobicContact CD2-CE 3.24Å; Y684-M751 HydrophobicContact CD2-SD 3.96Å; Y684-M751 HydrophobicContact CE2-CE 3.66Å; Y684-M751 HydrophobicContact CG-CE 4.27Å; H747-M751 WeakPolarHBondContact O-CB 3.41Å; H747-M751 VanDerWaalsContact O-CG 3.28Å; H747-M751 WeakPolarHBondContact O-CG 3.37Å; H747-M751 PolarHBondContact O-N 3.18Å; M751-F754 HydrophobicContact CE-CD1 4.1Å; M751-R755 WeakPolarHBondContact O-CG 3.21Å; M751-R755 PolarHBondContact O-N 2.96Å
752	F	89.5	Confident	90	Very high	11 Å²	11	23.4 Å²	23.4	5%	0.048	11%	0.109	C	C	.	.	H	α-helix	trans	-65.9	-46.6	172.8	177.2	-111.3	0	0	0	111.8	D748 E749 I750 F754 R755 V756 V847 T848 V895 D896 F912 I915	D748-F752 WeakPolarHBondContact O-CB 3.07Å; D748-F752 PolarHBondContact O-N 3.47Å; E749-F752 PolarHBondContact O-N 2.77Å; I750-F752 VanDerWaalsContact C-N 3.33Å; I750-F752 PolarHBondContact O-N 3.09Å; F752-F754 VanDerWaalsContact C-N 3.3Å; F752-F754 PolarHBondContact O-N 3.41Å; F752-R755 PolarHBondContact O-N 3.17Å; F752-V756 HydrophobicContact CD2-CG2 4.3Å; F752-V756 HydrophobicContact CE1-CG2 4.11Å; F752-V756 HydrophobicContact CE2-CG2 3.86Å; F752-V756 HydrophobicContact CZ-CG2 3.75Å; F752-V756 WeakPolarHBondContact O-CG2 3.42Å; F752-V756 PolarHBondContact O-N 2.64Å; F752-V847 HydrophobicContact CD1-CB 4.18Å; F752-V847 HydrophobicContact CD1-CG1 4.36Å; F752-V847 HydrophobicContact CE1-CB 3.9Å; F752-V847 HydrophobicContact CE1-CG1 3.92Å; F752-T848 HydrophobicContact CD1-CG2 4.18Å; F752-T848 HydrophobicContact CE1-CG2 4.46Å; F752-V895 WeakPolarHBondContact CE1-O 3.47Å; F752-V895 HydrophobicContact CZ-CG1 4.04Å; F752-D896 VanDerWaalsContact CZ-C 3.4Å; F752-F912 HydrophobicContact CB-CE1 4.09Å; F752-F912 HydrophobicContact CB-CE2 4.42Å; F752-F912 HydrophobicContact CB-CZ 3.98Å; F752-F912 HydrophobicContact CD2-CD2 4.28Å; F752-F912 AromaticContact CD2-CE2 3.88Å; F752-F912 HydrophobicContact CD2-CE2 3.88Å; F752-F912 HydrophobicContact CD2-CZ 4.24Å; F752-I915 HydrophobicContact CB-CD1 3.36Å; F752-I915 HydrophobicContact CD1-CD1 4.11Å; F752-I915 HydrophobicContact CD1-CG2 4Å; F752-I915 HydrophobicContact CD2-CD1 4.24Å; F752-I915 HydrophobicContact CE1-CG2 4.16Å; F752-I915 HydrophobicContact CG-CD1 3.65Å; F752-I915 HydrophobicContact CG-CG2 4.46Å
753	G	92.9	Very high	90.6	Very high	0 Å²	0	25 Å²	25	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-55.6	-45	174.7	0	0	0	0	0	112.3	E749 I750 V756 W757	E749-G753 PolarHBondContact O-N 3.36Å; I750-G753 PolarHBondContact O-N 2.95Å; G753-V756 PolarHBondContact O-N 3.33Å; G753-W757 WeakPolarHBondContact O-CB 3.37Å; G753-W757 PolarHBondContact O-N 2.79Å
754	F	93.4	Very high	91.1	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-61.9	-45	177	-177.3	-133.8	0	0	0	112	L650 E657 F659 A735 I750 M751 F752 V756 W757 R758 F800	L650-F754 HydrophobicContact CD1-CD1 4.44Å; L650-F754 HydrophobicContact CD1-CE1 3.67Å; L650-F754 HydrophobicContact CD1-CZ 4.46Å; L650-F754 HydrophobicContact CD2-CD1 3.93Å; L650-F754 HydrophobicContact CD2-CE1 3.99Å; E657-F754 HydrophobicContact CB-CZ 4.12Å; F659-F754 HydrophobicContact CB-CD2 4.22Å; F659-F754 HydrophobicContact CB-CE2 3.94Å; F659-F754 HydrophobicContact CB-CZ 4.39Å; F659-F754 HydrophobicContact CD1-CB 4.47Å; F659-F754 AromaticContact CD1-CD1 3.74Å; F659-F754 HydrophobicContact CD1-CD1 3.74Å; F659-F754 AromaticContact CD1-CD2 3.86Å; F659-F754 HydrophobicContact CD1-CD2 3.86Å; F659-F754 AromaticContact CD1-CE1 3.81Å; F659-F754 HydrophobicContact CD1-CE1 3.81Å; F659-F754 AromaticContact CD1-CE2 3.95Å; F659-F754 HydrophobicContact CD1-CE2 3.95Å; F659-F754 AromaticContact CD1-CG 3.76Å; F659-F754 HydrophobicContact CD1-CG 3.76Å; F659-F754 AromaticContact CD1-CZ 3.92Å; F659-F754 HydrophobicContact CD1-CZ 3.92Å; F659-F754 AromaticContact CE1-CD1 3.99Å; F659-F754 HydrophobicContact CE1-CD1 3.99Å; F659-F754 HydrophobicContact CE1-CE1 4.36Å; F659-F754 HydrophobicContact CE1-CG 4.15Å; F659-F754 HydrophobicContact CG-CD2 4.3Å; F659-F754 HydrophobicContact CG-CE2 4.37Å; A735-F754 HydrophobicContact CB-CD2 4.3Å; A735-F754 HydrophobicContact CB-CE2 3.71Å; I750-F754 PolarHBondContact O-N 3.12Å; M751-F754 HydrophobicContact CE-CD1 4.1Å; F752-F754 VanDerWaalsContact C-N 3.3Å; F752-F754 PolarHBondContact O-N 3.41Å; F754-V756 PolarHBondContact O-N 3.39Å; F754-W757 HydrophobicContact CD2-CE3 4.14Å; F754-W757 HydrophobicContact CE2-CE3 4.01Å; F754-W757 HydrophobicContact CE2-CZ3 4.17Å; F754-W757 PolarHBondContact O-N 3.37Å; F754-R758 HydrophobicContact CD2-CG 4.33Å; F754-R758 HydrophobicContact CE2-CG 4.02Å; F754-R758 HydrophobicContact CZ-CG 4.2Å; F754-R758 WeakPolarHBondContact O-CG 3.28Å; F754-R758 PolarHBondContact O-N 3.12Å; F754-F800 HydrophobicContact CB-CE1 3.96Å; F754-F800 HydrophobicContact CB-CE2 4.1Å; F754-F800 HydrophobicContact CB-CZ 3.63Å; F754-F800 HydrophobicContact CD2-CD1 4.21Å; F754-F800 AromaticContact CD2-CE1 3.82Å; F754-F800 HydrophobicContact CD2-CE1 3.82Å; F754-F800 HydrophobicContact CD2-CZ 4.38Å; F754-F800 HydrophobicContact CG-CE1 4.23Å; F754-F800 HydrophobicContact CG-CZ 4.36Å
755	R	90.5	Very high	91.8	Very high	22 Å²	22	22 Å²	22	8%	0.083	10%	0.098	C	C	.	.	H	α-helix	trans	-60.7	-43.7	176.6	-73.9	176.5	-174.4	-106.7	9.8	112.2	F646 A649 L650 M751 F752 W757 R758	F646-R755 PolarHBondContact O-NH1 3.31Å; F646-R755 PolarHBondContact O-NH2 2.58Å; A649-R755 PolarHBondContact O-NH1 3.31Å; A649-R755 PolarHBondContact O-NH2 3.39Å; L650-R755 VanDerWaalsContact C-NH1 3.31Å; L650-R755 HydrophobicContact CD2-CG 4.25Å; L650-R755 PolarHBondContact O-NH1 3.23Å; M751-R755 WeakPolarHBondContact O-CG 3.21Å; M751-R755 PolarHBondContact O-N 2.96Å; F752-R755 PolarHBondContact O-N 3.17Å; R755-W757 VanDerWaalsContact C-N 3.35Å; R755-R758 PolarHBondContact O-N 3.22Å
756	V	93.6	Very high	92.2	Very high	14 Å²	14	21 Å²	21	9%	0.085	9%	0.093	C	C	.	.	H	α-helix	trans	-64.5	-41	176.6	176.6	0	0	0	0	110.8	F752 G753 F754 R758 E759 A760 V765 I845 V847 V895	F752-V756 HydrophobicContact CD2-CG2 4.3Å; F752-V756 HydrophobicContact CE1-CG2 4.11Å; F752-V756 HydrophobicContact CE2-CG2 3.86Å; F752-V756 HydrophobicContact CZ-CG2 3.75Å; F752-V756 WeakPolarHBondContact O-CG2 3.42Å; F752-V756 PolarHBondContact O-N 2.64Å; G753-V756 PolarHBondContact O-N 3.33Å; F754-V756 PolarHBondContact O-N 3.39Å; V756-R758 VanDerWaalsContact C-N 3.34Å; V756-R758 PolarHBondContact O-N 2.97Å; V756-E759 PolarHBondContact O-N 2.84Å; V756-A760 PolarHBondContact O-N 2.79Å; V756-V765 HydrophobicContact CB-CG1 3.99Å; V756-V765 HydrophobicContact CG1-CG1 3.68Å; V756-I845 HydrophobicContact CG1-CG2 4.17Å; V756-V847 HydrophobicContact CB-CG1 4.02Å; V756-V847 HydrophobicContact CG1-CG1 3.93Å; V756-V847 HydrophobicContact CG2-CG1 3.97Å; V756-V895 HydrophobicContact CG1-CB 4.29Å; V756-V895 HydrophobicContact CG1-CG1 4.28Å; V756-V895 HydrophobicContact CG1-CG2 4.26Å; V756-V895 HydrophobicContact CG2-CB 4.41Å; V756-V895 HydrophobicContact CG2-CG1 3.82Å
757	W	95.4	Very high	92.5	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-61.4	-39.9	176	176.9	85.7	0	0	0	112.6	E734 A735 G753 F754 R755 E759 A760 R761 V765 F800 H802	E734-W757 HydrophobicContact CB-CH2 4.19Å; A735-W757 HydrophobicContact CB-CD2 4.3Å; A735-W757 HydrophobicContact CB-CE3 3.82Å; A735-W757 HydrophobicContact CB-CH2 3.51Å; A735-W757 HydrophobicContact CB-CZ2 3.97Å; A735-W757 HydrophobicContact CB-CZ3 3.44Å; A735-W757 VanDerWaalsContact CB-CZ3 3.44Å; G753-W757 WeakPolarHBondContact O-CB 3.37Å; G753-W757 PolarHBondContact O-N 2.79Å; F754-W757 HydrophobicContact CD2-CE3 4.14Å; F754-W757 HydrophobicContact CE2-CE3 4.01Å; F754-W757 HydrophobicContact CE2-CZ3 4.17Å; F754-W757 PolarHBondContact O-N 3.37Å; R755-W757 VanDerWaalsContact C-N 3.35Å; W757-E759 PolarHBondContact O-N 2.85Å; W757-E759 VanDerWaalsContact O-N 3.13Å; W757-A760 CarbonylContact O-C 3.54Å; W757-A760 PolarHBondContact O-N 2.04Å; W757-R761 HydrophobicContact CH2-CG 4.35Å; W757-R761 HydrophobicContact CZ2-CG 4.46Å; W757-R761 PolarHBondContact O-N 2.86Å; W757-V765 HydrophobicContact CB-CB 4.08Å; W757-V765 HydrophobicContact CB-CG2 4.09Å; W757-F800 HydrophobicContact CB-CB 3.8Å; W757-F800 HydrophobicContact CB-CG 4.26Å; W757-F800 HydrophobicContact CG-CB 3.67Å; W757-F800 HydrophobicContact CG-CG 4.42Å; W757-H802 HydrophobicContact CZ2-CB 3.88Å; W757-H802 AromaticContact CZ2-CD2 3.68Å
758	R	92.7	Very high	92.7	Very high	20 Å²	20	18.2 Å²	18.2	8%	0.075	8%	0.083	C	C	.	.	H	α-helix	trans	-59.5	-27.2	178.2	-71	177.7	75.5	-131	4.5	113.3	L650 G651 V654 P655 E657 F754 R755 V756 R761	L650-R758 VanDerWaalsContact CB-NH1 3.27Å; L650-R758 PolarHBondContact O-NH1 3.42Å; G651-R758 PolarHBondContact O-NH1 3.01Å; G651-R758 PolarHBondContact O-NH2 2.91Å; V654-R758 PolarHBondContact O-NH2 3.4Å; P655-R758 PolarHBondContact O-NH2 3.43Å; P655-R758 VanDerWaalsContact O-NH2 3.12Å; E657-R758 IonicContact OE2-CZ 3.55Å; E657-R758 IonicContact OE2-NE 3.45Å; E657-R758 PolarHBondContact OE2-NE 2.97Å; E657-R758 IonicContact OE2-NH2 3.16Å; E657-R758 PolarHBondContact OE2-NH2 3.11Å; F754-R758 HydrophobicContact CD2-CG 4.33Å; F754-R758 HydrophobicContact CE2-CG 4.02Å; F754-R758 HydrophobicContact CZ-CG 4.2Å; F754-R758 WeakPolarHBondContact O-CG 3.28Å; F754-R758 PolarHBondContact O-N 3.12Å; R755-R758 PolarHBondContact O-N 3.22Å; V756-R758 VanDerWaalsContact C-N 3.34Å; V756-R758 PolarHBondContact O-N 2.97Å; R758-R761 PolarHBondContact O-NE 3.1Å
759	E	91	Very high	93.1	Very high	174 Å²	174	17.9 Å²	17.9	81%	0.813	8%	0.081	S	C	*	.	H	α-helix	trans	-87.5	-16.9	175	-64.4	-177.9	-165.6	0	0	113.2	V756 W757	V756-E759 PolarHBondContact O-N 2.84Å; W757-E759 PolarHBondContact O-N 2.85Å; W757-E759 VanDerWaalsContact O-N 3.13Å
760	A	94.1	Very high	93.4	Very high	4 Å²	4	18.6 Å²	18.6	3%	0.033	8%	0.084	C	C	.	.			trans	-135.9	49.9	-175	0	0	0	0	0	112.8	V756 W757 D762 R763 V765 I845	V756-A760 PolarHBondContact O-N 2.79Å; W757-A760 CarbonylContact O-C 3.54Å; W757-A760 PolarHBondContact O-N 2.04Å; A760-D762 PolarHBondContact O-N 2.91Å; A760-R763 PolarHBondContact O-N 2.85Å; A760-V765 HydrophobicContact CB-CG2 4.4Å; A760-I845 HydrophobicContact CB-CD1 3.35Å
761	R	94.6	Very high	93.6	Very high	30 Å²	30	20 Å²	20	11%	0.113	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-28.4	-175.1	-62.6	173.7	-176.5	-102.8	-26.4	114.6	P614 V654 E657 E734 W757 R758 R763 H802	P614-R761 HydrophobicContact CB-CB 4Å; P614-R761 WeakPolarHBondContact CB-O 3.32Å; V654-R761 VanDerWaalsContact CG1-NH2 3.3Å; E657-R761 IonicContact OE1-CZ 3.59Å; E657-R761 IonicContact OE1-NH1 2.89Å; E657-R761 PolarHBondContact OE1-NH1 3.27Å; E657-R761 IonicContact OE1-NH2 2.71Å; E657-R761 PolarHBondContact OE1-NH2 2.89Å; E657-R761 IonicContact OE2-CZ 3.77Å; E657-R761 IonicContact OE2-NH2 2.72Å; E657-R761 PolarHBondContact OE2-NH2 3.46Å; E734-R761 IonicContact OE2-NH1 3.77Å; E734-R761 PolarHBondContact OE2-NH1 2.99Å; W757-R761 HydrophobicContact CH2-CG 4.35Å; W757-R761 HydrophobicContact CZ2-CG 4.46Å; W757-R761 PolarHBondContact O-N 2.86Å; R758-R761 PolarHBondContact O-NE 3.1Å; R761-R763 VanDerWaalsContact C-N 3.25Å; R761-R763 PolarHBondContact O-N 2.94Å; R761-H802 WeakPolarHBondContact O-CB 3.2Å
762	D	96.3	Very high	93.9	Very high	23 Å²	23	20.1 Å²	20.1	12%	0.123	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-6.5	-179.3	67.6	-27.9	0	0	0	113	P614 L615 A760 Y805 T840 K842	P614-D762 HydrophobicContact CB-CB 4.37Å; L615-D762 HydrophobicContact CD2-CB 4.5Å; A760-D762 PolarHBondContact O-N 2.91Å; D762-Y805 PolarHBondContact O-OH 3.05Å; D762-T840 HydrophobicContact CB-CG2 4.29Å; D762-T840 VanDerWaalsContact O-CG2 3.27Å; D762-T840 WeakPolarHBondContact O-CG2 3.4Å; D762-K842 WeakPolarHBondContact OD2-CD 3.48Å; D762-K842 WeakPolarHBondContact OD2-CE 3.35Å; D762-K842 IonicContact OD2-NZ 3.9Å; D762-K842 PolarHBondContact OD2-NZ 3.01Å
763	R	97.1	Very high	94.1	Very high	59 Å²	59	20.6 Å²	20.6	22%	0.223	10%	0.096	C	C	.	.	S	Bend	trans	-121	157.3	-176.7	-69.3	179.6	-77.3	173.9	1.4	112.4	A760 R761 K842 P843 I845	A760-R763 PolarHBondContact O-N 2.85Å; R761-R763 VanDerWaalsContact C-N 3.25Å; R761-R763 PolarHBondContact O-N 2.94Å; R763-K842 HydrophobicContact CG-CB 4.15Å; R763-K842 HydrophobicContact CG-CD 4.36Å; R763-P843 VanDerWaalsContact CD-O 3.23Å; R763-P843 WeakPolarHBondContact CD-O 3.49Å; R763-I845 HydrophobicContact CB-CG1 4.44Å; R763-I845 VanDerWaalsContact NH2-CD1 3.35Å
764	I	98.2	Very high	94.2	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.005	12%	0.118	C	C	.	.			trans	-73.1	127.5	166	-56.4	173.5	0	0	0	107.6	V794 A799 F801 M832 N833 V836 P844 I845	I764-V794 HydrophobicContact CG2-CB 4.22Å; I764-V794 HydrophobicContact CG2-CG1 4.24Å; I764-A799 HydrophobicContact CG2-CB 3.77Å; I764-F801 HydrophobicContact CG1-CB 4.41Å; I764-M832 HydrophobicContact CD1-CG 3.95Å; I764-N833 HydrophobicContact CD1-CB 4.44Å; I764-V836 HydrophobicContact CD1-CB 4.07Å; I764-V836 HydrophobicContact CD1-CG2 3.88Å; I764-V836 HydrophobicContact CG1-CB 4.12Å; I764-V836 HydrophobicContact CG1-CG1 4.16Å; I764-V836 HydrophobicContact CG1-CG2 3.87Å; I764-P844 HydrophobicContact CB-CB 4.27Å; I764-I845 PolarHBondContact O-N 2.71Å
765	V	97.8	Very high	94.2	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	118.2	178.4	-178	0	0	0	0	108.7	V756 W757 A760 A799 F800 I845 V847	V756-V765 HydrophobicContact CB-CG1 3.99Å; V756-V765 HydrophobicContact CG1-CG1 3.68Å; W757-V765 HydrophobicContact CB-CB 4.08Å; W757-V765 HydrophobicContact CB-CG2 4.09Å; A760-V765 HydrophobicContact CB-CG2 4.4Å; V765-A799 CarbonylContact O-C 3.57Å; V765-A799 WeakPolarHBondContact O-CA 3.26Å; V765-F800 PolarHBondContact N-O 2.97Å; V765-F800 PolarHBondContact O-N 2.9Å; V765-I845 WeakPolarHBondContact CA-O 3.36Å; V765-I845 HydrophobicContact CG1-CB 4.49Å; V765-I845 HydrophobicContact CG2-CB 4.13Å; V765-I845 HydrophobicContact CG2-CD1 4.12Å; V765-I845 HydrophobicContact CG2-CG1 4.45Å; V765-V847 HydrophobicContact CG1-CG1 3.77Å
766	G	94.9	Very high	94.3	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.4	-171	-175.8	0	0	0	0	0	113.7	V794 A798 I845 K846 V847	G766-V794 VanDerWaalsContact CA-CG1 3.45Å; G766-A798 WeakPolarHBondContact CA-O 3.33Å; G766-I845 PolarHBondContact N-O 3.46Å; G766-I845 VanDerWaalsContact N-O 3.12Å; G766-K846 WeakPolarHBondContact O-CA 3.27Å; G766-V847 VanDerWaalsContact O-CG2 3.25Å; G766-V847 WeakPolarHBondContact O-CG2 3.35Å; G766-V847 PolarHBondContact O-N 3.28Å
767	F	91.6	Very high	94.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.185	C	C	.	.	S	Bend	trans	-100.1	-54.6	-164.2	-44.9	-93.6	0	0	0	112.5	L745 E749 G769 A798 K846 V847 T848 F853	L745-F767 HydrophobicContact CD1-CD2 3.94Å; L745-F767 HydrophobicContact CD1-CE2 3.54Å; L745-F767 HydrophobicContact CD1-CZ 4.19Å; L745-F767 HydrophobicContact CD2-CD1 4.18Å; L745-F767 HydrophobicContact CD2-CD2 3.8Å; L745-F767 HydrophobicContact CD2-CE1 4.18Å; L745-F767 HydrophobicContact CD2-CE2 3.83Å; L745-F767 HydrophobicContact CD2-CG 4.01Å; L745-F767 HydrophobicContact CD2-CZ 4.02Å; L745-F767 HydrophobicContact CG-CE2 4.37Å; E749-F767 HydrophobicContact CB-CE1 3.98Å; E749-F767 HydrophobicContact CB-CZ 4.42Å; E749-F767 WeakPolarHBondContact O-CZ 3.42Å; F767-G769 PolarHBondContact O-N 3.39Å; F767-G769 VanDerWaalsContact O-N 3.09Å; F767-A798 HydrophobicContact CD2-CB 3.95Å; F767-A798 WeakPolarHBondContact CD2-O 3.46Å; F767-A798 PolarHBondContact N-O 3.41Å; F767-K846 WeakPolarHBondContact O-CE 3.34Å; F767-V847 HydrophobicContact CD1-CG2 3.51Å; F767-V847 HydrophobicContact CE1-CG2 3.53Å; F767-V847 HydrophobicContact CG-CG2 4.07Å; F767-V847 HydrophobicContact CZ-CG2 4.09Å; F767-T848 HydrophobicContact CD1-CG2 3.94Å; F767-T848 HydrophobicContact CE1-CG2 4.03Å; F767-F853 HydrophobicContact CB-CE2 4.11Å; F767-F853 HydrophobicContact CB-CZ 3.88Å; F767-F853 HydrophobicContact CG-CZ 4.31Å
768	P	91.8	Very high	94.1	Very high	7 Å²	7	44.9 Å²	44.9	5%	0.045	22%	0.216	C	C	.	.			trans	-76.5	104.7	-174.6	-14.7	32.8	0	0	0	111.9	V794 L795 A798 W851 F853	P768-V794 WeakPolarHBondContact O-CA 3.5Å; P768-L795 HydrophobicContact CB-CB 4.17Å; P768-L795 HydrophobicContact CB-CD1 4.4Å; P768-L795 HydrophobicContact CB-CG 4.23Å; P768-L795 PolarHBondContact O-N 3.03Å; P768-A798 HydrophobicContact CG-CB 4.22Å; P768-W851 WeakPolarHBondContact CA-O 3.44Å; P768-W851 WeakPolarHBondContact CB-O 3.23Å; P768-F853 HydrophobicContact CG-CD2 3.68Å; P768-F853 HydrophobicContact CG-CE2 3.4Å; P768-F853 VanDerWaalsContact CG-CE2 3.4Å
769	G	91.8	Very high	94	Very high	2 Å²	2	51.2 Å²	51.2	2%	0.021	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	137.6	174.3	0	0	0	0	0	113	F767	F767-G769 PolarHBondContact O-N 3.39Å; F767-G769 VanDerWaalsContact O-N 3.09Å
770	R	93.8	Very high	94.2	Very high	22 Å²	22	44.2 Å²	44.2	8%	0.083	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	167.9	174.5	-66.3	-67.2	-175.7	-77.4	-9.7	110.7	Y783 S785 L791 S792 M793 L795 W851 T852	R770-Y783 HydrophobicContact CB-CE2 3.92Å; R770-Y783 VanDerWaalsContact CD-OH 3.25Å; R770-Y783 WeakPolarHBondContact CD-OH 3.41Å; R770-Y783 HydrophobicContact CG-CE2 3.97Å; R770-Y783 WeakPolarHBondContact CG-OH 3.29Å; R770-Y783 PolarHBondContact NE-OH 3.13Å; R770-Y783 VanDerWaalsContact NE-OH 3.11Å; R770-S785 VanDerWaalsContact CD-CA 3.44Å; R770-S785 VanDerWaalsContact NE-CB 3.28Å; R770-L791 WeakPolarHBondContact O-CA 3.28Å; R770-L791 WeakPolarHBondContact O-CB 3.23Å; R770-S792 PolarHBondContact O-N 3.03Å; R770-M793 HydrophobicContact CB-CB 4.19Å; R770-M793 HydrophobicContact CB-CE 4.37Å; R770-M793 PolarHBondContact N-O 3.41Å; R770-M793 PolarHBondContact O-N 2.99Å; R770-L795 HydrophobicContact CB-CD2 4.19Å; R770-L795 HydrophobicContact CG-CD1 3.95Å; R770-L795 HydrophobicContact CG-CD2 3.66Å; R770-L795 HydrophobicContact CG-CG 3.8Å; R770-W851 PolarHBondContact NH1-O 2.96Å; R770-T852 VanDerWaalsContact NH2-CG2 3.27Å
771	Y	94.9	Very high	94.2	Very high	30 Å²	30	46.4 Å²	46.4	12%	0.118	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	154.5	176.5	66.1	-72.1	0	0	0	112.8	A773 N784 N786 S792 M793	Y771-A773 HydrophobicContact CD2-CB 4.34Å; Y771-A773 HydrophobicContact CE2-CB 4.14Å; Y771-N784 HydrophobicContact CD1-CB 4.11Å; Y771-N784 WeakPolarHBondContact CD1-O 3.46Å; Y771-N784 HydrophobicContact CD2-CB 4.14Å; Y771-N784 HydrophobicContact CE1-CB 3.69Å; Y771-N784 HydrophobicContact CE2-CB 3.74Å; Y771-N784 HydrophobicContact CG-CB 4.31Å; Y771-N784 PolarHBondContact N-O 2.88Å; Y771-N784 PolarHBondContact O-N 3.11Å; Y771-N784 PolarHBondContact OH-ND2 3.21Å; Y771-N784 VanDerWaalsContact OH-ND2 3.11Å; Y771-N784 PolarHBondContact OH-OD1 3.41Å; Y771-N786 WeakPolarHBondContact CE1-O 3.25Å; Y771-S792 VanDerWaalsContact CA-OG 3.29Å; Y771-S792 WeakPolarHBondContact CA-OG 3.23Å; Y771-M793 VanDerWaalsContact C-CE 3.41Å
772	H	95.9	Very high	94.3	Very high	3 Å²	3	47.1 Å²	47.1	1%	0.014	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	155.1	162.3	66.9	-82.8	0	0	0	109.1	W781 L782 S792 M793 I876 M886 L888 Y890	H772-W781 AromaticContact CD2-CE3 3.54Å; H772-W781 AromaticContact CD2-CZ3 3.51Å; H772-L782 CarbonylContact C-O 3.58Å; H772-L782 VanDerWaalsContact CA-O 3.23Å; H772-L782 WeakPolarHBondContact CA-O 3.45Å; H772-S792 PolarHBondContact CE1-OG 3.33Å; H772-S792 PolarHBondContact N-OG 3.12Å; H772-S792 VanDerWaalsContact N-OG 3.09Å; H772-S792 WeakPolarHBondContact ND1-CB 3.42Å; H772-S792 PolarHBondContact ND1-OG 3.47Å; H772-M793 HydrophobicContact CB-CE 4.37Å; H772-I876 HydrophobicContact CB-CD1 4.29Å; H772-M886 HydrophobicContact CB-CE 4.42Å; H772-L888 HydrophobicContact CB-CD1 4.29Å; H772-Y890 AromaticContact CD2-CZ 3.83Å; H772-Y890 PolarHBondContact CD2-OH 3.36Å; H772-Y890 AromaticContact CE1-CE2 3.82Å; H772-Y890 AromaticContact CE1-CZ 3.68Å; H772-Y890 AromaticContact NE2-CE2 3.5Å; H772-Y890 AromaticContact NE2-CZ 3.43Å; H772-Y890 PolarHBondContact NE2-OH 3.08Å; H772-Y890 VanDerWaalsContact O-CE1 3.23Å; H772-Y890 WeakPolarHBondContact O-CE1 3.43Å; H772-Y890 PolarHBondContact O-OH 3.44Å
773	A	94.6	Very high	94.2	Very high	22 Å²	22	46.5 Å²	46.5	18%	0.182	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	150.8	175.1	0	0	0	0	0	110	Y771 W781 L782	Y771-A773 HydrophobicContact CD2-CB 4.34Å; Y771-A773 HydrophobicContact CE2-CB 4.14Å; A773-W781 CarbonylContact O-C 3.58Å; A773-W781 WeakPolarHBondContact O-CA 3.49Å; A773-L782 PolarHBondContact N-O 3.01Å; A773-L782 PolarHBondContact O-N 3.21Å
774	W	94.5	Very high	93.9	Very high	124 Å²	124	46 Å²	46	47%	0.47	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	126.4	175.4	-176.2	-105.9	0	0	0	110.6	Q779 W781	W774-Q779 HydrophobicContact CH2-CB 4.33Å; W774-Q779 WeakPolarHBondContact CH2-O 3.23Å; W774-Q779 VanDerWaalsContact CZ2-C 3.47Å; W774-Q779 VanDerWaalsContact CZ2-CA 3.5Å; W774-Q779 HydrophobicContact CZ2-CB 3.91Å; W774-W781 HydrophobicContact CB-CE3 4.1Å; W774-W781 HydrophobicContact CB-CH2 4.31Å; W774-W781 HydrophobicContact CB-CZ3 3.72Å; W774-W781 AromaticContact CE3-CD2 3.53Å; W774-W781 HydrophobicContact CE3-CD2 3.53Å; W774-W781 AromaticContact CE3-CE2 3.48Å; W774-W781 VanDerWaalsContact CE3-CE2 3.48Å; W774-W781 AromaticContact CE3-CE3 3.76Å; W774-W781 HydrophobicContact CE3-CE3 3.76Å; W774-W781 HydrophobicContact CE3-CG 4.06Å; W774-W781 AromaticContact CE3-CH2 3.97Å; W774-W781 HydrophobicContact CE3-CH2 3.97Å; W774-W781 AromaticContact CE3-CZ2 3.73Å; W774-W781 HydrophobicContact CE3-CZ2 3.73Å; W774-W781 AromaticContact CE3-CZ3 3.98Å; W774-W781 HydrophobicContact CE3-CZ3 3.98Å; W774-W781 AromaticContact CE3-NE1 3.93Å; W774-W781 AromaticContact CZ3-CD1 3.91Å; W774-W781 AromaticContact CZ3-CD2 3.98Å; W774-W781 HydrophobicContact CZ3-CD2 3.98Å; W774-W781 AromaticContact CZ3-CE2 3.65Å; W774-W781 HydrophobicContact CZ3-CG 4.16Å; W774-W781 HydrophobicContact CZ3-CZ2 4.09Å; W774-W781 AromaticContact CZ3-NE1 3.6Å
775	D	93	Very high	93.3	Very high	28 Å²	28	48 Å²	48	15%	0.15	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	112.6	169.5	-170.9	-12.2	0	0	0	110.1	N777 H778 Q779 S780 L782	D775-N777 VanDerWaalsContact C-N 3.3Å; D775-N777 PolarHBondContact O-N 2.91Å; D775-N777 WeakPolarHBondContact OD1-CB 3.06Å; D775-N777 PolarHBondContact OD1-N 3.06Å; D775-H778 IonicContact OD1-ND1 3.27Å; D775-H778 IonicContact OD2-CE1 3.72Å; D775-H778 IonicContact OD2-CG 3.04Å; D775-H778 IonicContact OD2-ND1 3.73Å; D775-H778 PolarHBondContact OD2-ND1 3.35Å; D775-Q779 VanDerWaalsContact O-CA 3.25Å; D775-Q779 WeakPolarHBondContact O-CA 3.46Å; D775-Q779 PolarHBondContact O-N 3.19Å; D775-S780 PolarHBondContact N-O 3.11Å; D775-S780 PolarHBondContact O-N 3.04Å; D775-L782 HydrophobicContact CB-CD1 3.71Å; D775-L782 HydrophobicContact CB-CD2 4.33Å; D775-L782 HydrophobicContact CB-CG 3.85Å
776	V	93.4	Very high	92.7	Very high	109 Å²	109	53 Å²	53	66%	0.661	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-33.3	179.6	-178.1	0	0	0	0	111.7
777	N	93.4	Very high	92.1	Very high	143 Å²	143	60.6 Å²	60.6	77%	0.765	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-39.6	-174.4	-63.7	-35.4	0	0	0	111.7	D775	D775-N777 VanDerWaalsContact C-N 3.3Å; D775-N777 PolarHBondContact O-N 2.91Å; D775-N777 WeakPolarHBondContact OD1-CB 3.06Å; D775-N777 PolarHBondContact OD1-N 3.06Å
778	H	90.5	Very high	91.7	Very high	141 Å²	141	62 Å²	62	65%	0.653	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.2	-2.5	-178.4	-59.2	99.3	0	0	0	113.5	D775 S780	D775-H778 IonicContact OD1-ND1 3.27Å; D775-H778 IonicContact OD2-CE1 3.72Å; D775-H778 IonicContact OD2-CG 3.04Å; D775-H778 IonicContact OD2-ND1 3.73Å; D775-H778 PolarHBondContact OD2-ND1 3.35Å; H778-S780 PolarHBondContact O-N 3.04Å
779	Q	91.5	Very high	91.5	Very high	153 Å²	153	67.1 Å²	67.1	72%	0.715	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	49	45.4	-175.7	-60.5	-172.7	-35.1	0	0	112.7	W774 D775	W774-Q779 HydrophobicContact CH2-CB 4.33Å; W774-Q779 WeakPolarHBondContact CH2-O 3.23Å; W774-Q779 VanDerWaalsContact CZ2-C 3.47Å; W774-Q779 VanDerWaalsContact CZ2-CA 3.5Å; W774-Q779 HydrophobicContact CZ2-CB 3.91Å; D775-Q779 VanDerWaalsContact O-CA 3.25Å; D775-Q779 WeakPolarHBondContact O-CA 3.46Å; D775-Q779 PolarHBondContact O-N 3.19Å
780	S	94	Very high	91.5	Very high	27 Å²	27	70.1 Å²	70.1	19%	0.189	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	162	-174.8	68.7	0	0	0	0	111.7	D775 H778	D775-S780 PolarHBondContact N-O 3.11Å; D775-S780 PolarHBondContact O-N 3.04Å; H778-S780 PolarHBondContact O-N 3.04Å
781	W	95.6	Very high	91.6	Very high	51 Å²	51	69.4 Å²	69.4	19%	0.193	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	135.6	175.4	-64.3	105.2	0	0	0	111.1	H772 A773 W774 I876 N877 M886	H772-W781 AromaticContact CD2-CE3 3.54Å; H772-W781 AromaticContact CD2-CZ3 3.51Å; A773-W781 CarbonylContact O-C 3.58Å; A773-W781 WeakPolarHBondContact O-CA 3.49Å; W774-W781 HydrophobicContact CB-CE3 4.1Å; W774-W781 HydrophobicContact CB-CH2 4.31Å; W774-W781 HydrophobicContact CB-CZ3 3.72Å; W774-W781 AromaticContact CE3-CD2 3.53Å; W774-W781 HydrophobicContact CE3-CD2 3.53Å; W774-W781 AromaticContact CE3-CE2 3.48Å; W774-W781 VanDerWaalsContact CE3-CE2 3.48Å; W774-W781 AromaticContact CE3-CE3 3.76Å; W774-W781 HydrophobicContact CE3-CE3 3.76Å; W774-W781 HydrophobicContact CE3-CG 4.06Å; W774-W781 AromaticContact CE3-CH2 3.97Å; W774-W781 HydrophobicContact CE3-CH2 3.97Å; W774-W781 AromaticContact CE3-CZ2 3.73Å; W774-W781 HydrophobicContact CE3-CZ2 3.73Å; W774-W781 AromaticContact CE3-CZ3 3.98Å; W774-W781 HydrophobicContact CE3-CZ3 3.98Å; W774-W781 AromaticContact CE3-NE1 3.93Å; W774-W781 AromaticContact CZ3-CD1 3.91Å; W774-W781 AromaticContact CZ3-CD2 3.98Å; W774-W781 HydrophobicContact CZ3-CD2 3.98Å; W774-W781 AromaticContact CZ3-CE2 3.65Å; W774-W781 HydrophobicContact CZ3-CG 4.16Å; W774-W781 HydrophobicContact CZ3-CZ2 4.09Å; W774-W781 AromaticContact CZ3-NE1 3.6Å; W781-I876 HydrophobicContact CB-CG2 3.49Å; W781-I876 VanDerWaalsContact CB-CG2 3.49Å; W781-I876 HydrophobicContact CG-CG2 4.25Å; W781-N877 PolarHBondContact N-OD1 3.44Å; W781-N877 PolarHBondContact O-ND2 3.42Å; W781-M886 HydrophobicContact CB-CE 3.97Å; W781-M886 HydrophobicContact CD2-CE 3.36Å; W781-M886 HydrophobicContact CE3-CE 3.94Å; W781-M886 HydrophobicContact CG-CE 3.37Å; W781-M886 HydrophobicContact CZ2-CB 4.09Å; W781-M886 HydrophobicContact CZ2-CE 4.37Å; W781-M886 HydrophobicContact CZ2-CG 4.39Å
782	L	94.9	Very high	91.7	Very high	45 Å²	45	68 Å²	68	24%	0.236	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	143.7	175	-55.1	-179.7	0	0	0	110.2	H772 A773 D775 H873	H772-L782 CarbonylContact C-O 3.58Å; H772-L782 VanDerWaalsContact CA-O 3.23Å; H772-L782 WeakPolarHBondContact CA-O 3.45Å; A773-L782 PolarHBondContact N-O 3.01Å; A773-L782 PolarHBondContact O-N 3.21Å; D775-L782 HydrophobicContact CB-CD1 3.71Å; D775-L782 HydrophobicContact CB-CD2 4.33Å; D775-L782 HydrophobicContact CB-CG 3.85Å; L782-H873 HydrophobicContact CD2-CB 4.41Å; L782-H873 VanDerWaalsContact CD2-CD2 3.49Å; L782-H873 WeakPolarHBondContact CD2-CD2 3.06Å
783	Y	94.8	Very high	91.7	Very high	10 Å²	10	67.8 Å²	67.8	4%	0.039	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	133.6	164.3	171.5	-97.9	0	0	0	109	R770 M793 I830 F869 R872 H873 I876	R770-Y783 HydrophobicContact CB-CE2 3.92Å; R770-Y783 VanDerWaalsContact CD-OH 3.25Å; R770-Y783 WeakPolarHBondContact CD-OH 3.41Å; R770-Y783 HydrophobicContact CG-CE2 3.97Å; R770-Y783 WeakPolarHBondContact CG-OH 3.29Å; R770-Y783 PolarHBondContact NE-OH 3.13Å; R770-Y783 VanDerWaalsContact NE-OH 3.11Å; Y783-M793 HydrophobicContact CD2-CE 3.91Å; Y783-M793 HydrophobicContact CE2-CE 4.23Å; Y783-I830 HydrophobicContact CD2-CD1 3.97Å; Y783-I830 HydrophobicContact CE2-CD1 4.38Å; Y783-F869 AromaticContact CD1-CD1 3.89Å; Y783-F869 HydrophobicContact CD1-CD1 3.89Å; Y783-F869 HydrophobicContact CD1-CE1 4.21Å; Y783-F869 HydrophobicContact CE1-CD1 4.03Å; Y783-F869 AromaticContact CE1-CE1 3.9Å; Y783-F869 HydrophobicContact CE1-CE1 3.9Å; Y783-R872 HydrophobicContact CD1-CB 4.01Å; Y783-R872 HydrophobicContact CD2-CB 4.49Å; Y783-R872 HydrophobicContact CG-CB 3.88Å; Y783-R872 PolarHBondContact OH-NH1 3.34Å; Y783-H873 PolarHBondContact N-CE1 3.26Å; Y783-H873 PolarHBondContact N-ND1 2.92Å; Y783-H873 PolarHBondContact O-CE1 2.96Å; Y783-I876 HydrophobicContact CD2-CD1 4.27Å; Y783-I876 HydrophobicContact CG-CD1 4.46Å
784	N	90.4	Very high	91.8	Very high	47 Å²	47	66.8 Å²	66.8	25%	0.251	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	132.7	179.9	-157.7	-35.2	0	0	0	111.8	Y771 N786	Y771-N784 HydrophobicContact CD1-CB 4.11Å; Y771-N784 WeakPolarHBondContact CD1-O 3.46Å; Y771-N784 HydrophobicContact CD2-CB 4.14Å; Y771-N784 HydrophobicContact CE1-CB 3.69Å; Y771-N784 HydrophobicContact CE2-CB 3.74Å; Y771-N784 HydrophobicContact CG-CB 4.31Å; Y771-N784 PolarHBondContact N-O 2.88Å; Y771-N784 PolarHBondContact O-N 3.11Å; Y771-N784 PolarHBondContact OH-ND2 3.21Å; Y771-N784 VanDerWaalsContact OH-ND2 3.11Å; Y771-N784 PolarHBondContact OH-OD1 3.41Å; N784-N786 WeakPolarHBondContact OD1-CB 3.35Å; N784-N786 PolarHBondContact OD1-N 2.93Å
785	S	87.1	Confident	91.8	Very high	44 Å²	44	61.8 Å²	61.8	31%	0.308	32%	0.322	S	S	.	.			trans	-111.3	3.6	178	66.6	0	0	0	0	114.2	R770 F869	R770-S785 VanDerWaalsContact CD-CA 3.44Å; R770-S785 VanDerWaalsContact NE-CB 3.28Å; S785-F869 WeakPolarHBondContact OG-CE1 3.29Å
786	N	84.3	Confident	91.9	Very high	104 Å²	104	60.5 Å²	60.5	56%	0.556	32%	0.315	S	S	*	.	S	Bend	trans	-68	164	178.7	-159.3	6.2	0	0	0	111.1	Y771 N784 S788	Y771-N786 WeakPolarHBondContact CE1-O 3.25Å; N784-N786 WeakPolarHBondContact OD1-CB 3.35Å; N784-N786 PolarHBondContact OD1-N 2.93Å; N786-S788 PolarHBondContact O-N 2.92Å
787	Y	81.8	Confident	91.9	Very high	161 Å²	161	55.5 Å²	55.5	63%	0.631	29%	0.286	S	S	*	.			trans	-70.5	119.5	175.8	-57.5	-70.9	0	0	0	109.9	W851	Y787-W851 HydrophobicContact CD1-CB 4.26Å; Y787-W851 AromaticContact CD1-CD1 3.71Å; Y787-W851 HydrophobicContact CD1-CD2 4.08Å; Y787-W851 AromaticContact CD1-CG 3.76Å; Y787-W851 HydrophobicContact CD1-CG 3.76Å; Y787-W851 AromaticContact CD1-NE1 3.97Å; Y787-W851 HydrophobicContact CE1-CB 3.82Å; Y787-W851 AromaticContact CE1-CD1 3.63Å; Y787-W851 HydrophobicContact CE1-CD2 4.5Å; Y787-W851 AromaticContact CE1-CG 3.71Å; Y787-W851 HydrophobicContact CE1-CG 3.71Å
788	S	84.4	Confident	92	Very high	30 Å²	30	48.7 Å²	48.7	21%	0.21	25%	0.25	C	C	.	.			trans	-131.1	157.5	177.8	179.2	0	0	0	0	110.6	N786 E790 W851	N786-S788 PolarHBondContact O-N 2.92Å; S788-E790 WeakPolarHBondContact CB-O 3.17Å; S788-E790 PolarHBondContact OG-N 2.95Å; S788-E790 PolarHBondContact OG-O 3.48Å; S788-W851 VanDerWaalsContact O-CH2 3.29Å; S788-W851 WeakPolarHBondContact O-CH2 2.76Å
789	C	87.4	Confident	92.3	Very high	114 Å²	114	42 Å²	42	77%	0.77	22%	0.219	S	C	*	.	S	Bend	trans	-77.1	-11.5	171.8	-66.7	0	0	0	0	112.7	Q892	C789-Q892 WeakPolarHBondContact O-CG 3.27Å
790	E	92.3	Very high	92.6	Very high	64 Å²	64	34.7 Å²	34.7	30%	0.299	19%	0.185	S	C	.	.			trans	-124.2	152.1	175.8	65.7	-173.1	178.1	0	0	111.3	S788 Y890 T891 Q892	S788-E790 WeakPolarHBondContact CB-O 3.17Å; S788-E790 PolarHBondContact OG-N 2.95Å; S788-E790 PolarHBondContact OG-O 3.48Å; E790-Y890 HydrophobicContact CB-CD1 4.35Å; E790-Y890 HydrophobicContact CG-CD1 3.85Å; E790-Y890 HydrophobicContact CG-CE1 4.36Å; E790-T891 WeakPolarHBondContact CA-O 3.29Å; E790-Q892 HydrophobicContact CB-CG 4.11Å
791	L	94.4	Very high	92.8	Very high	7 Å²	7	33.4 Å²	33.4	4%	0.037	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-133	158.2	172.9	68.2	100.4	0	0	0	109.2	R770 V794 P844 K846 Y890 T891	R770-L791 WeakPolarHBondContact O-CA 3.28Å; R770-L791 WeakPolarHBondContact O-CB 3.23Å; L791-V794 HydrophobicContact CD1-CG2 4.2Å; L791-P844 HydrophobicContact CD1-CG 3.93Å; L791-K846 HydrophobicContact CD2-CB 3.57Å; L791-K846 HydrophobicContact CD2-CD 3.71Å; L791-K846 HydrophobicContact CD2-CG 4.26Å; L791-Y890 CarbonylContact O-C 3.1Å; L791-Y890 WeakPolarHBondContact O-CA 3.48Å; L791-T891 HydrophobicContact CD1-CG2 3.5Å; L791-T891 VanDerWaalsContact CD1-CG2 3.5Å; L791-T891 HydrophobicContact CD2-CG2 4.38Å; L791-T891 HydrophobicContact CG-CG2 3.63Å; L791-T891 PolarHBondContact N-O 2.98Å; L791-T891 PolarHBondContact O-N 3.08Å
792	S	97.1	Very high	92.9	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.166	C	C	.	.	S	Bend	trans	-134.9	-2.9	172.7	47.1	0	0	0	0	113.4	R770 Y771 H772 L889	R770-S792 PolarHBondContact O-N 3.03Å; Y771-S792 VanDerWaalsContact CA-OG 3.29Å; Y771-S792 WeakPolarHBondContact CA-OG 3.23Å; H772-S792 PolarHBondContact CE1-OG 3.33Å; H772-S792 PolarHBondContact N-OG 3.12Å; H772-S792 VanDerWaalsContact N-OG 3.09Å; H772-S792 WeakPolarHBondContact ND1-CB 3.42Å; H772-S792 PolarHBondContact ND1-OG 3.47Å; S792-L889 VanDerWaalsContact CA-O 3.28Å; S792-L889 WeakPolarHBondContact CA-O 3.39Å; S792-L889 WeakPolarHBondContact CB-O 3.33Å
793	M	97.2	Very high	93	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	147.7	177.9	-67.9	172.6	-77.5	0	0	110.3	R770 Y771 H772 Y783 I830 N833 I876 L888	R770-M793 HydrophobicContact CB-CB 4.19Å; R770-M793 HydrophobicContact CB-CE 4.37Å; R770-M793 PolarHBondContact N-O 3.41Å; R770-M793 PolarHBondContact O-N 2.99Å; Y771-M793 VanDerWaalsContact C-CE 3.41Å; H772-M793 HydrophobicContact CB-CE 4.37Å; Y783-M793 HydrophobicContact CD2-CE 3.91Å; Y783-M793 HydrophobicContact CE2-CE 4.23Å; M793-I830 HydrophobicContact SD-CB 4.44Å; M793-I830 HydrophobicContact SD-CG1 4.02Å; M793-I830 HydrophobicContact SD-CG2 4.15Å; M793-N833 WeakPolarHBondContact CA-OD1 3.42Å; M793-N833 HydrophobicContact CB-CB 4.35Å; M793-N833 HydrophobicContact CG-CB 3.88Å; M793-I876 HydrophobicContact CE-CD1 4.37Å; M793-L888 HydrophobicContact CE-CD1 4.02Å; M793-L888 HydrophobicContact CG-CD1 3.63Å; M793-L888 HydrophobicContact CG-CD2 3.94Å; M793-L888 HydrophobicContact CG-CG 4.43Å; M793-L888 HydrophobicContact SD-CD1 3.59Å; M793-L888 VanDerWaalsContact SD-CD1 3.59Å
794	V	95.9	Very high	93.1	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	122.3	165	170	0	0	0	0	107.7	I764 G766 P768 L791 T796 A799 N833 P844	I764-V794 HydrophobicContact CG2-CB 4.22Å; I764-V794 HydrophobicContact CG2-CG1 4.24Å; G766-V794 VanDerWaalsContact CA-CG1 3.45Å; P768-V794 WeakPolarHBondContact O-CA 3.5Å; L791-V794 HydrophobicContact CD1-CG2 4.2Å; V794-T796 PolarHBondContact O-N 3.22Å; V794-A799 HydrophobicContact CG1-CB 4.06Å; V794-N833 PolarHBondContact N-OD1 3.04Å; V794-N833 PolarHBondContact O-ND2 2.94Å; V794-N833 PolarHBondContact O-OD1 3.03Å; V794-P844 HydrophobicContact CB-CB 4.04Å; V794-P844 HydrophobicContact CB-CG 4.41Å; V794-P844 HydrophobicContact CG2-CB 3.75Å; V794-P844 HydrophobicContact CG2-CG 3.95Å
795	L	94.9	Very high	93.5	Very high	20 Å²	20	27.1 Å²	27.1	11%	0.105	15%	0.145	C	C	.	.			trans	-69.9	132.6	-174.5	-53.3	-169.7	0	0	0	110.9	P768 R770 G797 A798 D829	P768-L795 HydrophobicContact CB-CB 4.17Å; P768-L795 HydrophobicContact CB-CD1 4.4Å; P768-L795 HydrophobicContact CB-CG 4.23Å; P768-L795 PolarHBondContact O-N 3.03Å; R770-L795 HydrophobicContact CB-CD2 4.19Å; R770-L795 HydrophobicContact CG-CD1 3.95Å; R770-L795 HydrophobicContact CG-CD2 3.66Å; R770-L795 HydrophobicContact CG-CG 3.8Å; L795-G797 PolarHBondContact O-N 2.9Å; L795-A798 PolarHBondContact O-N 3.25Å; L795-D829 HydrophobicContact CD2-CB 4.44Å; L795-D829 VanDerWaalsContact CD2-OD2 3.26Å; L795-D829 WeakPolarHBondContact CD2-OD2 3.42Å
796	T	95.6	Very high	94	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-3.9	-177	47.5	0	0	0	0	113.9	R724 F725 S738 V794 A798 D829 M832	R724-T796 PolarHBondContact NH2-O 3.46Å; F725-T796 HydrophobicContact CE1-CG2 4.19Å; F725-T796 HydrophobicContact CZ-CG2 4.04Å; F725-T796 WeakPolarHBondContact CZ-OG1 3.39Å; S738-T796 CarbonylContact C-O 3.45Å; S738-T796 WeakPolarHBondContact CB-O 3.5Å; S738-T796 PolarHBondContact OG-O 3.48Å; V794-T796 PolarHBondContact O-N 3.22Å; T796-A798 PolarHBondContact O-N 3.22Å; T796-D829 WeakPolarHBondContact OG1-CA 3.42Å; T796-D829 WeakPolarHBondContact OG1-CB 3.28Å; T796-M832 HydrophobicContact CG2-CB 4.03Å; T796-M832 HydrophobicContact CG2-CG 3.88Å
797	G	93	Very high	94.6	Very high	5 Å²	5	20.2 Å²	20.2	5%	0.052	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-6.8	169.9	0	0	0	0	0	114.6	I739 D740 L795	I739-G797 CarbonylContact C-O 3.41Å; I739-G797 VanDerWaalsContact CA-O 3.24Å; I739-G797 WeakPolarHBondContact CA-O 3.35Å; D740-G797 PolarHBondContact N-O 2.74Å; D740-G797 WeakPolarHBondContact OD1-CA 3.37Å; D740-G797 VanDerWaalsContact OD2-CA 3.28Å; D740-G797 WeakPolarHBondContact OD2-CA 3.39Å; L795-G797 PolarHBondContact O-N 2.9Å
798	A	94.5	Very high	95.3	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.1	73.4	168.5	0	0	0	0	0	108.6	S738 L745 G766 F767 P768 L795 T796 F853	S738-A798 WeakPolarHBondContact O-CA 3.37Å; S738-A798 PolarHBondContact O-N 3.05Å; L745-A798 HydrophobicContact CD1-CB 4.18Å; G766-A798 WeakPolarHBondContact CA-O 3.33Å; F767-A798 HydrophobicContact CD2-CB 3.95Å; F767-A798 WeakPolarHBondContact CD2-O 3.46Å; F767-A798 PolarHBondContact N-O 3.41Å; P768-A798 HydrophobicContact CG-CB 4.22Å; L795-A798 PolarHBondContact O-N 3.25Å; T796-A798 PolarHBondContact O-N 3.22Å; A798-F853 HydrophobicContact CB-CD2 4.09Å; A798-F853 HydrophobicContact CB-CE2 3.37Å; A798-F853 HydrophobicContact CB-CZ 4.07Å
799	A	96.8	Very high	96	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	149.2	-179.8	0	0	0	0	0	113	S738 I764 V765 V794	S738-A799 PolarHBondContact N-O 3.41Å; S738-A799 PolarHBondContact O-N 3.21Å; I764-A799 HydrophobicContact CG2-CB 3.77Å; V765-A799 CarbonylContact O-C 3.57Å; V765-A799 WeakPolarHBondContact O-CA 3.26Å; V794-A799 HydrophobicContact CG1-CB 4.06Å
800	F	98.3	Very high	96.4	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.031	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	134.9	165.7	-72.3	-87.4	0	0	0	111	F659 I736 L737 I750 F754 W757 V765	F659-F800 HydrophobicContact CB-CE1 4.05Å; F659-F800 HydrophobicContact CD1-CE1 4.29Å; F659-F800 AromaticContact CD2-CE1 3.83Å; F659-F800 HydrophobicContact CD2-CE1 3.83Å; F659-F800 HydrophobicContact CD2-CZ 4.28Å; F659-F800 HydrophobicContact CE2-CE1 4.35Å; F659-F800 HydrophobicContact CE2-CZ 4.35Å; F659-F800 AromaticContact CG-CE1 3.79Å; F659-F800 HydrophobicContact CG-CE1 3.79Å; F659-F800 HydrophobicContact CG-CZ 4.45Å; I736-F800 VanDerWaalsContact O-CA 3.27Å; I736-F800 WeakPolarHBondContact O-CA 3.37Å; L737-F800 HydrophobicContact CB-CD1 3.98Å; L737-F800 HydrophobicContact CB-CE1 3.62Å; L737-F800 HydrophobicContact CB-CZ 3.92Å; L737-F800 HydrophobicContact CD1-CD2 3.97Å; L737-F800 HydrophobicContact CD1-CE1 4.38Å; L737-F800 HydrophobicContact CD1-CE2 3.81Å; L737-F800 HydrophobicContact CD1-CG 4.32Å; L737-F800 HydrophobicContact CD1-CZ 4.03Å; L737-F800 HydrophobicContact CD2-CE1 4.43Å; L737-F800 HydrophobicContact CD2-CE2 4.27Å; L737-F800 HydrophobicContact CD2-CZ 3.87Å; L737-F800 HydrophobicContact CG-CE1 4.35Å; L737-F800 HydrophobicContact CG-CE2 4.44Å; L737-F800 HydrophobicContact CG-CZ 4.16Å; I750-F800 HydrophobicContact CG2-CE2 4.33Å; I750-F800 HydrophobicContact CG2-CZ 3.91Å; F754-F800 HydrophobicContact CB-CE1 3.96Å; F754-F800 HydrophobicContact CB-CE2 4.1Å; F754-F800 HydrophobicContact CB-CZ 3.63Å; F754-F800 HydrophobicContact CD2-CD1 4.21Å; F754-F800 AromaticContact CD2-CE1 3.82Å; F754-F800 HydrophobicContact CD2-CE1 3.82Å; F754-F800 HydrophobicContact CD2-CZ 4.38Å; F754-F800 HydrophobicContact CG-CE1 4.23Å; F754-F800 HydrophobicContact CG-CZ 4.36Å; W757-F800 HydrophobicContact CB-CB 3.8Å; W757-F800 HydrophobicContact CB-CG 4.26Å; W757-F800 HydrophobicContact CG-CB 3.67Å; W757-F800 HydrophobicContact CG-CG 4.42Å; V765-F800 PolarHBondContact N-O 2.97Å; V765-F800 PolarHBondContact O-N 2.9Å
801	F	98.3	Very high	96.5	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	3%	0.033	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	164.7	165.9	66	-90.6	0	0	0	110.3	F725 I736 I764 M832	F725-F801 HydrophobicContact CD1-CE1 4.17Å; F725-F801 AromaticContact CD1-CZ 3.78Å; F725-F801 HydrophobicContact CD1-CZ 3.78Å; F725-F801 AromaticContact CE1-CE1 3.99Å; F725-F801 HydrophobicContact CE1-CE1 3.99Å; F725-F801 HydrophobicContact CE1-CZ 4.08Å; I736-F801 HydrophobicContact CB-CE1 4.36Å; I736-F801 HydrophobicContact CB-CE2 4.18Å; I736-F801 HydrophobicContact CB-CZ 4.05Å; I736-F801 HydrophobicContact CD1-CE2 3.95Å; I736-F801 HydrophobicContact CD1-CZ 4.23Å; I736-F801 HydrophobicContact CG2-CE1 3.99Å; I736-F801 HydrophobicContact CG2-CE2 4.37Å; I736-F801 HydrophobicContact CG2-CZ 3.76Å; I736-F801 PolarHBondContact N-O 3.37Å; I736-F801 PolarHBondContact O-N 2.99Å; I764-F801 HydrophobicContact CG1-CB 4.41Å; F801-M832 HydrophobicContact CE2-CE 4.41Å
802	H	97.9	Very high	96.4	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	137.3	-177.6	-169.2	-78	0	0	0	111.6	P614 E734 W757 R761 Y804 Y805	P614-H802 HydrophobicContact CB-CB 4.29Å; E734-H802 CarbonylContact O-C 3.58Å; E734-H802 WeakPolarHBondContact O-CA 3.16Å; E734-H802 IonicContact OE2-NE2 3.73Å; W757-H802 HydrophobicContact CZ2-CB 3.88Å; W757-H802 AromaticContact CZ2-CD2 3.68Å; R761-H802 WeakPolarHBondContact O-CB 3.2Å; H802-Y804 WeakPolarHBondContact ND1-CB 3.48Å; H802-Y804 PolarHBondContact ND1-N 2.87Å; H802-Y804 PolarHBondContact O-N 3.45Å; H802-Y805 HydrophobicContact CB-CD2 4.08Å; H802-Y805 HydrophobicContact CB-CE2 4.3Å; H802-Y805 PolarHBondContact O-N 2.9Å
803	K	96.7	Very high	96.2	Very high	8 Å²	8	9.7 Å²	9.7	4%	0.035	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.8	-33.7	179.9	-173.8	179.9	-176.8	-172	0	113.1	D543 W728 V731 E734 I736 Y805 A806 Y807	D543-K803 IonicContact OD1-NZ 3.93Å; D543-K803 PolarHBondContact OD1-NZ 3.04Å; W728-K803 PolarHBondContact O-NZ 2.91Å; V731-K803 HydrophobicContact CG1-CD 4.26Å; V731-K803 WeakPolarHBondContact O-CE 3.44Å; V731-K803 PolarHBondContact O-NZ 3.34Å; E734-K803 PolarHBondContact O-N 3.32Å; I736-K803 HydrophobicContact CD1-CB 4Å; I736-K803 HydrophobicContact CD1-CG 4.13Å; I736-K803 HydrophobicContact CG1-CB 4.44Å; K803-Y805 PolarHBondContact O-N 3Å; K803-Y805 VanDerWaalsContact O-N 3.12Å; K803-A806 WeakPolarHBondContact O-CA 3.32Å; K803-A806 WeakPolarHBondContact O-CB 3.46Å; K803-A806 PolarHBondContact O-N 2.84Å; K803-Y807 HydrophobicContact CD-CE2 4.3Å; K803-Y807 VanDerWaalsContact CE-OH 3.27Å; K803-Y807 WeakPolarHBondContact CE-OH 3.43Å; K803-Y807 HydrophobicContact CG-CE2 3.98Å; K803-Y807 PolarHBondContact NZ-OH 3.05Å; K803-Y807 WeakPolarHBondContact O-CD2 3.16Å
804	Y	96.9	Very high	96	Very high	10 Å²	10	11.1 Å²	11.1	4%	0.039	6%	0.057	C	C	.	.	H	α-helix	trans	-43.4	-42.2	169.5	179.4	-105.4	0	0	0	114.1	P604 F610 P614 H802 A806 Y807 L808	P604-Y804 WeakPolarHBondContact CD-OH 3.47Å; F610-Y804 HydrophobicContact CB-CD2 4.15Å; F610-Y804 HydrophobicContact CB-CE2 4.29Å; F610-Y804 AromaticContact CD1-CD2 3.71Å; F610-Y804 HydrophobicContact CD1-CD2 3.71Å; F610-Y804 AromaticContact CD1-CE2 3.71Å; F610-Y804 HydrophobicContact CD1-CE2 3.71Å; F610-Y804 HydrophobicContact CD2-CD2 4.38Å; F610-Y804 AromaticContact CD2-CE2 3.73Å; F610-Y804 HydrophobicContact CD2-CE2 3.73Å; F610-Y804 HydrophobicContact CE1-CD2 4.2Å; F610-Y804 AromaticContact CE1-CE2 3.89Å; F610-Y804 HydrophobicContact CE1-CE2 3.89Å; F610-Y804 AromaticContact CE2-CE2 3.93Å; F610-Y804 HydrophobicContact CE2-CE2 3.93Å; F610-Y804 AromaticContact CG-CD2 3.81Å; F610-Y804 HydrophobicContact CG-CD2 3.81Å; F610-Y804 AromaticContact CG-CE2 3.62Å; F610-Y804 HydrophobicContact CG-CE2 3.62Å; F610-Y804 HydrophobicContact CZ-CE2 4.02Å; P614-Y804 HydrophobicContact CG-CD1 3.88Å; P614-Y804 HydrophobicContact CG-CE1 4.46Å; P614-Y804 HydrophobicContact CG-CG 4.3Å; H802-Y804 WeakPolarHBondContact ND1-CB 3.48Å; H802-Y804 PolarHBondContact ND1-N 2.87Å; H802-Y804 PolarHBondContact O-N 3.45Å; Y804-A806 VanDerWaalsContact C-N 3.33Å; Y804-A806 PolarHBondContact O-N 3.16Å; Y804-Y807 PolarHBondContact O-N 3.31Å; Y804-L808 HydrophobicContact CD1-CD1 4.04Å; Y804-L808 HydrophobicContact CD1-CG 4.28Å; Y804-L808 HydrophobicContact CE1-CD1 3.37Å; Y804-L808 HydrophobicContact CE1-CD2 4.43Å; Y804-L808 HydrophobicContact CE1-CG 3.9Å; Y804-L808 HydrophobicContact CE2-CD2 4.48Å; Y804-L808 PolarHBondContact O-N 2.93Å
805	Y	98.1	Very high	95.8	Very high	3 Å²	3	15.7 Å²	15.7	1%	0.012	8%	0.079	C	C	.	.	H	α-helix	trans	-73.9	-21.4	-179.9	-64.3	-57.6	0	0	0	113.7	D762 H802 K803 L808 Y809 V836 I839 T840	D762-Y805 PolarHBondContact O-OH 3.05Å; H802-Y805 HydrophobicContact CB-CD2 4.08Å; H802-Y805 HydrophobicContact CB-CE2 4.3Å; H802-Y805 PolarHBondContact O-N 2.9Å; K803-Y805 PolarHBondContact O-N 3Å; K803-Y805 VanDerWaalsContact O-N 3.12Å; Y805-L808 HydrophobicContact CD1-CD1 4.11Å; Y805-L808 HydrophobicContact CE1-CD1 4.4Å; Y805-L808 PolarHBondContact O-N 2.72Å; Y805-Y809 VanDerWaalsContact O-CB 3.25Å; Y805-Y809 WeakPolarHBondContact O-CB 3.4Å; Y805-Y809 PolarHBondContact O-N 3.5Å; Y805-V836 HydrophobicContact CD1-CG2 3.8Å; Y805-V836 HydrophobicContact CD2-CG2 3.85Å; Y805-V836 HydrophobicContact CE1-CG1 4.39Å; Y805-V836 HydrophobicContact CE1-CG2 4.05Å; Y805-V836 HydrophobicContact CE2-CG1 4.09Å; Y805-V836 HydrophobicContact CE2-CG2 4.07Å; Y805-V836 HydrophobicContact CG-CG2 3.71Å; Y805-I839 HydrophobicContact CE1-CG2 4.43Å; Y805-T840 WeakPolarHBondContact OH-CG2 3.25Å
806	A	97.8	Very high	95.6	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.008	9%	0.089	C	C	.	.	H	α-helix	trans	-62.5	-47.1	169.5	0	0	0	0	0	110.5	F725 P727 K803 Y804 L808 Y809 S810	F725-A806 WeakPolarHBondContact O-CA 3.44Å; F725-A806 VanDerWaalsContact O-CB 3.25Å; F725-A806 WeakPolarHBondContact O-CB 3.44Å; P727-A806 HydrophobicContact CB-CB 4.15Å; K803-A806 WeakPolarHBondContact O-CA 3.32Å; K803-A806 WeakPolarHBondContact O-CB 3.46Å; K803-A806 PolarHBondContact O-N 2.84Å; Y804-A806 VanDerWaalsContact C-N 3.33Å; Y804-A806 PolarHBondContact O-N 3.16Å; A806-L808 PolarHBondContact O-N 3.04Å; A806-Y809 PolarHBondContact O-N 3.09Å; A806-S810 PolarHBondContact O-N 2.87Å; A806-S810 PolarHBondContact O-OG 2.85Å
807	Y	97.5	Very high	95.6	Very high	1 Å²	1	16.7 Å²	16.7	0%	0.004	9%	0.09	C	C	.	.	H	α-helix	trans	-61.6	-43.8	175.1	-62	-78.9	0	0	0	112.6	I541 D543 F610 P611 P727 K803 Y804 Y809 S810 Y811	I541-Y807 HydrophobicContact CB-CD1 4.41Å; I541-Y807 HydrophobicContact CD1-CD1 4.03Å; I541-Y807 HydrophobicContact CD1-CG 4.27Å; I541-Y807 HydrophobicContact CG1-CD1 3.97Å; I541-Y807 HydrophobicContact CG2-CD1 3.61Å; I541-Y807 HydrophobicContact CG2-CE1 3.66Å; I541-Y807 HydrophobicContact CG2-CG 4.12Å; D543-Y807 WeakPolarHBondContact OD1-CE1 3.43Å; D543-Y807 VanDerWaalsContact OD1-CZ 3.32Å; D543-Y807 PolarHBondContact OD1-OH 2.79Å; F610-Y807 HydrophobicContact CD1-CD2 4.26Å; F610-Y807 HydrophobicContact CD1-CG 4.3Å; F610-Y807 HydrophobicContact CE1-CG 4.41Å; P611-Y807 HydrophobicContact CG-CE2 3.95Å; P611-Y807 WeakPolarHBondContact CG-OH 3.39Å; P727-Y807 HydrophobicContact CB-CD1 3.56Å; P727-Y807 HydrophobicContact CB-CD2 4.38Å; P727-Y807 HydrophobicContact CB-CE1 3.44Å; P727-Y807 VanDerWaalsContact CB-CE1 3.44Å; P727-Y807 HydrophobicContact CB-CE2 4.31Å; P727-Y807 HydrophobicContact CB-CG 4.03Å; P727-Y807 HydrophobicContact CG-CD1 3.67Å; P727-Y807 HydrophobicContact CG-CE1 3.86Å; P727-Y807 HydrophobicContact CG-CG 4.36Å; K803-Y807 HydrophobicContact CD-CE2 4.3Å; K803-Y807 VanDerWaalsContact CE-OH 3.27Å; K803-Y807 WeakPolarHBondContact CE-OH 3.43Å; K803-Y807 HydrophobicContact CG-CE2 3.98Å; K803-Y807 PolarHBondContact NZ-OH 3.05Å; K803-Y807 WeakPolarHBondContact O-CD2 3.16Å; Y804-Y807 PolarHBondContact O-N 3.31Å; Y807-Y809 VanDerWaalsContact C-N 3.31Å; Y807-Y809 PolarHBondContact O-N 3.44Å; Y807-S810 PolarHBondContact O-N 3.21Å; Y807-Y811 HydrophobicContact CD1-CD2 4.26Å; Y807-Y811 AromaticContact CD1-CE2 4Å; Y807-Y811 HydrophobicContact CD1-CE2 4Å; Y807-Y811 WeakPolarHBondContact O-CB 3.47Å; Y807-Y811 PolarHBondContact O-N 2.96Å
808	L	97.3	Very high	95.7	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.096	C	C	.	.	I	π-helix	trans	-64.7	-38	178.8	-64.7	-163.2	0	0	0	111.6	P604 F610 Y804 Y805 A806 V812 M813 L835 I839	P604-L808 HydrophobicContact CB-CD2 4Å; P604-L808 HydrophobicContact CG-CD2 3.82Å; F610-L808 HydrophobicContact CE1-CD2 4.08Å; F610-L808 HydrophobicContact CZ-CD2 3.92Å; Y804-L808 HydrophobicContact CD1-CD1 4.04Å; Y804-L808 HydrophobicContact CD1-CG 4.28Å; Y804-L808 HydrophobicContact CE1-CD1 3.37Å; Y804-L808 HydrophobicContact CE1-CD2 4.43Å; Y804-L808 HydrophobicContact CE1-CG 3.9Å; Y804-L808 HydrophobicContact CE2-CD2 4.48Å; Y804-L808 PolarHBondContact O-N 2.93Å; Y805-L808 HydrophobicContact CD1-CD1 4.11Å; Y805-L808 HydrophobicContact CE1-CD1 4.4Å; Y805-L808 PolarHBondContact O-N 2.72Å; A806-L808 PolarHBondContact O-N 3.04Å; L808-V812 HydrophobicContact CB-CB 4.48Å; L808-V812 HydrophobicContact CD2-CB 4.14Å; L808-V812 HydrophobicContact CD2-CG2 3.65Å; L808-V812 CarbonylContact O-C 3.57Å; L808-V812 WeakPolarHBondContact O-CA 3.48Å; L808-V812 WeakPolarHBondContact O-CB 3.47Å; L808-V812 PolarHBondContact O-N 2.84Å; L808-V812 VanDerWaalsContact O-N 3.09Å; L808-M813 PolarHBondContact O-N 3.28Å; L808-L835 HydrophobicContact CB-CD1 4.28Å; L808-L835 HydrophobicContact CB-CD2 3.88Å; L808-L835 HydrophobicContact CB-CG 4.46Å; L808-I839 HydrophobicContact CD1-CD1 4.18Å; L808-I839 HydrophobicContact CD1-CG1 3.99Å; L808-I839 HydrophobicContact CD1-CG2 4.46Å
809	Y	97.8	Very high	95.7	Very high	1 Å²	1	22.3 Å²	22.3	0%	0.004	12%	0.115	C	C	.	.	I	π-helix	trans	-63.8	-46.4	175.9	-171.3	-81	0	0	0	111.4	N722 F725 Y805 A806 Y807 M813 R818 A831 M832 L835	N722-Y809 HydrophobicContact CB-CE1 4.27Å; N722-Y809 VanDerWaalsContact OD1-CE1 3.23Å; N722-Y809 WeakPolarHBondContact OD1-CE1 3.35Å; N722-Y809 VanDerWaalsContact OD1-CZ 3.32Å; N722-Y809 PolarHBondContact OD1-OH 2.88Å; F725-Y809 HydrophobicContact CB-CD1 3.77Å; F725-Y809 HydrophobicContact CB-CE1 4.16Å; F725-Y809 HydrophobicContact CB-CG 4.07Å; F725-Y809 HydrophobicContact CD2-CD1 4.12Å; F725-Y809 HydrophobicContact CD2-CD2 4.14Å; F725-Y809 AromaticContact CD2-CE1 3.79Å; F725-Y809 HydrophobicContact CD2-CE1 3.79Å; F725-Y809 AromaticContact CD2-CE2 3.8Å; F725-Y809 HydrophobicContact CD2-CE2 3.8Å; F725-Y809 HydrophobicContact CD2-CG 4.3Å; F725-Y809 AromaticContact CD2-CZ 3.62Å; F725-Y809 HydrophobicContact CE2-CE2 4.11Å; F725-Y809 HydrophobicContact CG-CD1 4.37Å; F725-Y809 HydrophobicContact CG-CE1 4.45Å; F725-Y809 HydrophobicContact CG-CG 4.46Å; Y805-Y809 VanDerWaalsContact O-CB 3.25Å; Y805-Y809 WeakPolarHBondContact O-CB 3.4Å; Y805-Y809 PolarHBondContact O-N 3.5Å; A806-Y809 PolarHBondContact O-N 3.09Å; Y807-Y809 VanDerWaalsContact C-N 3.31Å; Y807-Y809 PolarHBondContact O-N 3.44Å; Y809-M813 HydrophobicContact CD2-CE 3.47Å; Y809-M813 VanDerWaalsContact CD2-CE 3.47Å; Y809-M813 HydrophobicContact CD2-SD 4.16Å; Y809-M813 HydrophobicContact CE2-CE 3.74Å; Y809-M813 HydrophobicContact CE2-SD 4.06Å; Y809-M813 HydrophobicContact CG-CE 4.21Å; Y809-M813 WeakPolarHBondContact O-CB 2.96Å; Y809-R818 HydrophobicContact CD1-CG 4.5Å; Y809-R818 HydrophobicContact CE1-CG 3.92Å; Y809-R818 VanDerWaalsContact O-CD 3.31Å; Y809-R818 WeakPolarHBondContact O-CD 3.4Å; Y809-R818 PolarHBondContact O-NE 2.95Å; Y809-A831 HydrophobicContact CE2-CB 3.86Å; Y809-M832 HydrophobicContact CD2-CB 4.44Å; Y809-M832 HydrophobicContact CD2-CE 3.59Å; Y809-M832 HydrophobicContact CD2-SD 4.21Å; Y809-M832 HydrophobicContact CE2-CB 4.45Å; Y809-M832 HydrophobicContact CE2-CE 4.39Å; Y809-M832 HydrophobicContact CG-CE 3.9Å; Y809-L835 HydrophobicContact CD2-CD2 4.36Å
810	S	96	Very high	95.6	Very high	7 Å²	7	23 Å²	23	5%	0.049	12%	0.119	C	C	.	.	I	π-helix	trans	-75.7	-40.4	-175.6	-62	0	0	0	0	113.8	P727 A806 Y807 R818	P727-S810 WeakPolarHBondContact CD-OG 3.46Å; A806-S810 PolarHBondContact O-N 2.87Å; A806-S810 PolarHBondContact O-OG 2.85Å; Y807-S810 PolarHBondContact O-N 3.21Å; S810-R818 PolarHBondContact O-NE 3.08Å; S810-R818 PolarHBondContact O-NH2 3.41Å
811	Y	93.9	Very high	95.5	Very high	87 Å²	87	23 Å²	23	34%	0.341	12%	0.119	S	C	.	.	I	π-helix	trans	-116.4	-17.8	-166.4	-55.1	-56.8	0	0	0	115.1	I541 K542 E544 P727 Y807	I541-Y811 HydrophobicContact CD1-CD2 3.82Å; I541-Y811 HydrophobicContact CD1-CE2 4.48Å; I541-Y811 HydrophobicContact CG1-CD2 4.03Å; I541-Y811 HydrophobicContact CG1-CE2 4.25Å; K542-Y811 VanDerWaalsContact O-CE2 3.31Å; K542-Y811 WeakPolarHBondContact O-CE2 3.4Å; K542-Y811 PolarHBondContact O-OH 3.3Å; K542-Y811 VanDerWaalsContact O-OH 3.06Å; E544-Y811 WeakPolarHBondContact CG-OH 3.38Å; E544-Y811 PolarHBondContact OE1-OH 2.78Å; P727-Y811 HydrophobicContact CG-CE2 3.7Å; Y807-Y811 HydrophobicContact CD1-CD2 4.26Å; Y807-Y811 AromaticContact CD1-CE2 4Å; Y807-Y811 HydrophobicContact CD1-CE2 4Å; Y807-Y811 WeakPolarHBondContact O-CB 3.47Å; Y807-Y811 PolarHBondContact O-N 2.96Å
812	V	93	Very high	95.4	Very high	56 Å²	56	24.8 Å²	24.8	34%	0.339	13%	0.128	S	C	.	.	I	π-helix	trans	-110.9	-36	-176.3	-178.8	0	0	0	0	111.9	P604 L808	P604-V812 HydrophobicContact CB-CB 4.46Å; P604-V812 HydrophobicContact CB-CG1 3.79Å; P604-V812 HydrophobicContact CB-CG2 3.87Å; L808-V812 HydrophobicContact CB-CB 4.48Å; L808-V812 HydrophobicContact CD2-CB 4.14Å; L808-V812 HydrophobicContact CD2-CG2 3.65Å; L808-V812 CarbonylContact O-C 3.57Å; L808-V812 WeakPolarHBondContact O-CA 3.48Å; L808-V812 WeakPolarHBondContact O-CB 3.47Å; L808-V812 PolarHBondContact O-N 2.84Å; L808-V812 VanDerWaalsContact O-N 3.09Å
813	M	93.9	Very high	95.2	Very high	5 Å²	5	31.5 Å²	31.5	3%	0.025	16%	0.16	C	C	.	.	S	Bend	trans	-59.9	135	176.2	-177.4	-179.3	-68.6	0	0	110.3	L808 Y809 Q815 I817 R818 A831 L835	L808-M813 PolarHBondContact O-N 3.28Å; Y809-M813 HydrophobicContact CD2-CE 3.47Å; Y809-M813 VanDerWaalsContact CD2-CE 3.47Å; Y809-M813 HydrophobicContact CD2-SD 4.16Å; Y809-M813 HydrophobicContact CE2-CE 3.74Å; Y809-M813 HydrophobicContact CE2-SD 4.06Å; Y809-M813 HydrophobicContact CG-CE 4.21Å; Y809-M813 WeakPolarHBondContact O-CB 2.96Å; M813-Q815 PolarHBondContact O-N 3.38Å; M813-I817 HydrophobicContact CG-CB 4.09Å; M813-I817 HydrophobicContact CG-CD1 4.07Å; M813-I817 HydrophobicContact CG-CG2 4.2Å; M813-I817 HydrophobicContact SD-CB 3.87Å; M813-I817 HydrophobicContact SD-CD1 4.44Å; M813-I817 HydrophobicContact SD-CG2 3.35Å; M813-I817 WeakPolarHBondContact SD-CG2 3.49Å; M813-R818 HydrophobicContact SD-CG 4.18Å; M813-A831 HydrophobicContact CE-CB 4.29Å; M813-A831 WeakPolarHBondContact CE-O 3.46Å; M813-A831 HydrophobicContact SD-CB 4.34Å; M813-L835 HydrophobicContact CE-CB 3.64Å; M813-L835 HydrophobicContact CE-CD1 4.27Å; M813-L835 HydrophobicContact CE-CD2 3.94Å; M813-L835 HydrophobicContact CE-CG 4.16Å
814	P	91.5	Very high	94.9	Very high	30 Å²	30	33.9 Å²	33.9	20%	0.195	17%	0.169	C	C	.	.			trans	-50.1	129	175.3	-29.1	34.9	0	0	0	112	A816 I817 V882	P814-A816 PolarHBondContact O-N 3.04Å; P814-A816 VanDerWaalsContact O-N 3.14Å; P814-I817 HydrophobicContact CG-CD1 4.44Å; P814-I817 PolarHBondContact O-N 3.44Å; P814-V882 HydrophobicContact CB-CG1 3.97Å; P814-V882 HydrophobicContact CG-CG1 3.98Å
815	Q	91.4	Very high	94.6	Very high	95 Å²	95	36.5 Å²	36.5	44%	0.444	18%	0.183	S	C	.	.	H	α-helix	trans	-53.3	-38	-177.8	-177.6	64.6	56.3	0	0	111.9	M813 I817 R818 D819	M813-Q815 PolarHBondContact O-N 3.38Å; Q815-I817 PolarHBondContact O-N 3.11Å; Q815-I817 VanDerWaalsContact O-N 3.1Å; Q815-R818 WeakPolarHBondContact O-CA 3.4Å; Q815-R818 PolarHBondContact O-N 3.27Å; Q815-R818 VanDerWaalsContact OE1-NH1 3.13Å; Q815-D819 PolarHBondContact NE2-OD1 2.93Å; Q815-D819 VanDerWaalsContact O-CG 3.29Å; Q815-D819 PolarHBondContact O-N 3.43Å
816	A	92	Very high	94.4	Very high	40 Å²	40	36.6 Å²	36.6	33%	0.331	18%	0.183	S	C	.	.	H	α-helix	trans	-55.1	-30.3	177.8	0	0	0	0	0	114.4	P814 M820 F878	P814-A816 PolarHBondContact O-N 3.04Å; P814-A816 VanDerWaalsContact O-N 3.14Å; A816-M820 PolarHBondContact O-N 3.43Å; A816-M820 VanDerWaalsContact O-N 3.17Å; A816-F878 HydrophobicContact CB-CE1 4.46Å; A816-F878 HydrophobicContact CB-CZ 4.23Å
817	I	94.4	Very high	94.3	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-71.1	-45.2	175	-69.2	171.5	0	0	0	110.2	M813 P814 Q815 D819 M820 V821 A831 F879 V882 Y883	M813-I817 HydrophobicContact CG-CB 4.09Å; M813-I817 HydrophobicContact CG-CD1 4.07Å; M813-I817 HydrophobicContact CG-CG2 4.2Å; M813-I817 HydrophobicContact SD-CB 3.87Å; M813-I817 HydrophobicContact SD-CD1 4.44Å; M813-I817 HydrophobicContact SD-CG2 3.35Å; M813-I817 WeakPolarHBondContact SD-CG2 3.49Å; P814-I817 HydrophobicContact CG-CD1 4.44Å; P814-I817 PolarHBondContact O-N 3.44Å; Q815-I817 PolarHBondContact O-N 3.11Å; Q815-I817 VanDerWaalsContact O-N 3.1Å; I817-D819 VanDerWaalsContact C-N 3.33Å; I817-M820 PolarHBondContact O-N 3.16Å; I817-V821 WeakPolarHBondContact O-CG2 3.41Å; I817-V821 PolarHBondContact O-N 3.19Å; I817-V821 VanDerWaalsContact O-N 3.11Å; I817-A831 HydrophobicContact CG2-CB 3.86Å; I817-F879 HydrophobicContact CB-CD1 4.35Å; I817-F879 HydrophobicContact CB-CE1 4.27Å; I817-F879 HydrophobicContact CG1-CD1 3.93Å; I817-F879 HydrophobicContact CG1-CE1 4.33Å; I817-F879 HydrophobicContact CG2-CD1 3.89Å; I817-F879 HydrophobicContact CG2-CE1 3.59Å; I817-F879 HydrophobicContact CG2-CZ 3.94Å; I817-V882 HydrophobicContact CD1-CB 4.31Å; I817-V882 HydrophobicContact CD1-CG1 3.88Å; I817-V882 HydrophobicContact CG1-CB 4.32Å; I817-V882 HydrophobicContact CG1-CG1 4.04Å; I817-V882 HydrophobicContact CG1-CG2 4.42Å; I817-Y883 HydrophobicContact CD1-CD2 4.14Å; I817-Y883 HydrophobicContact CD1-CE2 3.54Å
818	R	95.8	Very high	94.3	Very high	47 Å²	47	37.1 Å²	37.1	18%	0.177	19%	0.186	C	C	.	.	H	α-helix	trans	-67.2	-35.9	178.6	-70.6	-169.8	-77.8	115.6	4	111.8	N722 Y809 S810 M813 Q815 V821 D822	N722-R818 PolarHBondContact ND2-O 3.07Å; Y809-R818 HydrophobicContact CD1-CG 4.5Å; Y809-R818 HydrophobicContact CE1-CG 3.92Å; Y809-R818 VanDerWaalsContact O-CD 3.31Å; Y809-R818 WeakPolarHBondContact O-CD 3.4Å; Y809-R818 PolarHBondContact O-NE 2.95Å; S810-R818 PolarHBondContact O-NE 3.08Å; S810-R818 PolarHBondContact O-NH2 3.41Å; M813-R818 HydrophobicContact SD-CG 4.18Å; Q815-R818 WeakPolarHBondContact O-CA 3.4Å; Q815-R818 PolarHBondContact O-N 3.27Å; Q815-R818 VanDerWaalsContact OE1-NH1 3.13Å; R818-V821 WeakPolarHBondContact O-CB 3.08Å; R818-V821 PolarHBondContact O-N 3.35Å; R818-D822 PolarHBondContact O-N 3.04Å
819	D	95.2	Very high	94.2	Very high	77 Å²	77	37.3 Å²	37.3	41%	0.412	19%	0.187	S	C	.	.	H	α-helix	trans	-63.9	-40.9	174.5	-63.4	-19.3	0	0	0	111.4	Q815 I817 V821 D822 E823	Q815-D819 PolarHBondContact NE2-OD1 2.93Å; Q815-D819 VanDerWaalsContact O-CG 3.29Å; Q815-D819 PolarHBondContact O-N 3.43Å; I817-D819 VanDerWaalsContact C-N 3.33Å; D819-V821 VanDerWaalsContact C-N 3.33Å; D819-V821 PolarHBondContact O-N 3.5Å; D819-D822 WeakPolarHBondContact O-CB 3.22Å; D819-D822 PolarHBondContact O-N 2.8Å; D819-E823 PolarHBondContact O-N 2.77Å
820	M	94.4	Very high	94.3	Very high	15 Å²	15	37.2 Å²	37.2	7%	0.074	19%	0.186	C	C	.	.	H	α-helix	trans	-65.2	-36.8	175.3	-170.3	-174.2	-164.8	0	0	112.2	A816 I817 D822 E823 Y824 K874 C875 F878 F879	A816-M820 PolarHBondContact O-N 3.43Å; A816-M820 VanDerWaalsContact O-N 3.17Å; I817-M820 PolarHBondContact O-N 3.16Å; M820-D822 VanDerWaalsContact C-N 3.29Å; M820-D822 PolarHBondContact O-N 3.24Å; M820-E823 PolarHBondContact O-N 2.55Å; M820-Y824 HydrophobicContact CE-CD2 3.96Å; M820-Y824 HydrophobicContact CE-CE2 3.4Å; M820-Y824 HydrophobicContact CG-CD2 3.67Å; M820-Y824 HydrophobicContact CG-CE2 3.7Å; M820-Y824 WeakPolarHBondContact O-CD2 3.49Å; M820-Y824 PolarHBondContact O-N 3.13Å; M820-Y824 VanDerWaalsContact O-N 3.08Å; M820-Y824 HydrophobicContact SD-CE2 4.38Å; M820-K874 HydrophobicContact CE-CB 4.2Å; M820-C875 HydrophobicContact CE-CB 4.48Å; M820-F878 HydrophobicContact CB-CD1 4.27Å; M820-F878 HydrophobicContact CB-CE1 4.14Å; M820-F878 HydrophobicContact CE-CB 3.54Å; M820-F878 HydrophobicContact CE-CD1 4.28Å; M820-F878 HydrophobicContact CE-CG 3.96Å; M820-F878 HydrophobicContact CG-CD1 4.27Å; M820-F878 HydrophobicContact SD-CB 3.42Å; M820-F878 WeakPolarHBondContact SD-CB 3.36Å; M820-F878 HydrophobicContact SD-CD1 3.1Å; M820-F878 WeakPolarHBondContact SD-CD1 3.34Å; M820-F878 HydrophobicContact SD-CD2 4.36Å; M820-F878 HydrophobicContact SD-CE1 3.89Å; M820-F878 HydrophobicContact SD-CG 3.38Å; M820-F878 WeakPolarHBondContact SD-CG 3.17Å; M820-F879 HydrophobicContact CB-CE1 4.46Å; M820-F879 HydrophobicContact SD-CD1 4.32Å; M820-F879 HydrophobicContact SD-CE1 3.79Å
821	V	95.9	Very high	94.4	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-62.5	-39.1	173.4	168.9	0	0	0	0	110.9	L721 N722 I817 R818 D819 I825 N826 E828 A831 F879	L721-V821 HydrophobicContact CB-CG1 4.29Å; N722-V821 WeakPolarHBondContact OD1-CG1 3.45Å; I817-V821 WeakPolarHBondContact O-CG2 3.41Å; I817-V821 PolarHBondContact O-N 3.19Å; I817-V821 VanDerWaalsContact O-N 3.11Å; R818-V821 WeakPolarHBondContact O-CB 3.08Å; R818-V821 PolarHBondContact O-N 3.35Å; D819-V821 VanDerWaalsContact C-N 3.33Å; D819-V821 PolarHBondContact O-N 3.5Å; V821-I825 WeakPolarHBondContact O-CA 3.32Å; V821-I825 PolarHBondContact O-N 2.92Å; V821-N826 WeakPolarHBondContact CA-O 3.41Å; V821-N826 WeakPolarHBondContact CG1-O 3.41Å; V821-N826 PolarHBondContact O-N 3.13Å; V821-E828 HydrophobicContact CG1-CB 3.67Å; V821-A831 HydrophobicContact CG2-CB 4.3Å; V821-F879 HydrophobicContact CG2-CZ 4.25Å
822	D	95	Very high	94.6	Very high	37 Å²	37	32.8 Å²	32.8	20%	0.198	17%	0.168	C	C	.	.	H	α-helix	trans	-69.9	-38.3	175.2	-76.6	-14.6	0	0	0	112.6	K718 S720 N722 R818 D819 M820 I825	K718-D822 IonicContact NZ-OD2 3.54Å; K718-D822 PolarHBondContact NZ-OD2 2.97Å; S720-D822 VanDerWaalsContact CB-OD1 3.28Å; S720-D822 WeakPolarHBondContact CB-OD1 3.26Å; S720-D822 PolarHBondContact OG-OD1 3.05Å; N722-D822 PolarHBondContact ND2-OD1 3.3Å; R818-D822 PolarHBondContact O-N 3.04Å; D819-D822 WeakPolarHBondContact O-CB 3.22Å; D819-D822 PolarHBondContact O-N 2.8Å; M820-D822 VanDerWaalsContact C-N 3.29Å; M820-D822 PolarHBondContact O-N 3.24Å; D822-I825 WeakPolarHBondContact O-CG1 3.21Å
823	E	93.9	Very high	94.8	Very high	141 Å²	141	30.2 Å²	30.2	66%	0.659	15%	0.152	S	C	*	.	H	α-helix	trans	-63.5	-45.9	179.2	-173.5	-174.6	155.7	0	0	111.9	D819 M820	D819-E823 PolarHBondContact O-N 2.77Å; M820-E823 PolarHBondContact O-N 2.55Å
824	Y	91.3	Very high	95.1	Very high	57 Å²	57	30 Å²	30	22%	0.224	15%	0.151	C	C	.	.	H	α-helix	trans	-90.6	-12.4	179.8	-68	-65.1	0	0	0	114	M820 N826 E871	M820-Y824 HydrophobicContact CE-CD2 3.96Å; M820-Y824 HydrophobicContact CE-CE2 3.4Å; M820-Y824 HydrophobicContact CG-CD2 3.67Å; M820-Y824 HydrophobicContact CG-CE2 3.7Å; M820-Y824 WeakPolarHBondContact O-CD2 3.49Å; M820-Y824 PolarHBondContact O-N 3.13Å; M820-Y824 VanDerWaalsContact O-N 3.08Å; M820-Y824 HydrophobicContact SD-CE2 4.38Å; Y824-N826 PolarHBondContact O-N 3.38Å; Y824-E871 HydrophobicContact CD1-CB 4.33Å; Y824-E871 HydrophobicContact CD1-CG 3.84Å; Y824-E871 HydrophobicContact CE1-CG 4.37Å; Y824-E871 HydrophobicContact CG-CG 4.49Å
825	I	91.4	Very high	95.4	Very high	65 Å²	65	28.7 Å²	28.7	33%	0.333	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.5	47.9	-169.7	-48	-178.2	0	0	0	109.7	L721 V821 D822	L721-I825 VanDerWaalsContact CD1-C 3.41Å; L721-I825 HydrophobicContact CD1-CG2 4.18Å; L721-I825 VanDerWaalsContact CD1-O 3.27Å; L721-I825 WeakPolarHBondContact CD1-O 3.33Å; L721-I825 HydrophobicContact CD2-CG2 4.39Å; L721-I825 HydrophobicContact CG-CG2 3.92Å; V821-I825 WeakPolarHBondContact O-CA 3.32Å; V821-I825 PolarHBondContact O-N 2.92Å; D822-I825 WeakPolarHBondContact O-CG1 3.21Å
826	N	93	Very high	95.7	Very high	5 Å²	5	24.4 Å²	24.4	3%	0.027	12%	0.123	C	C	.	.			trans	-159	173.4	-173.5	-154.6	-22	0	0	0	109.9	V821 Y824 E828 H868 E871 R872	V821-N826 WeakPolarHBondContact CA-O 3.41Å; V821-N826 WeakPolarHBondContact CG1-O 3.41Å; V821-N826 PolarHBondContact O-N 3.13Å; Y824-N826 PolarHBondContact O-N 3.38Å; N826-E828 VanDerWaalsContact C-N 3.27Å; N826-E828 PolarHBondContact O-N 3.4Å; N826-H868 PolarHBondContact ND2-ND1 3.41Å; N826-H868 VanDerWaalsContact ND2-ND1 3.15Å; N826-E871 PolarHBondContact ND2-OE2 2.85Å; N826-E871 VanDerWaalsContact ND2-OE2 3.09Å; N826-R872 PolarHBondContact OD1-NE 3.02Å; N826-R872 PolarHBondContact OD1-NH2 2.7Å
827	C	95.7	Very high	96	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.108	C	C	.	.			trans	67.7	11	168.6	-45.1	0	0	0	0	117	D829 I830 A831 C875 F879	C827-D829 VanDerWaalsContact C-N 3.26Å; C827-D829 PolarHBondContact O-N 3.48Å; C827-I830 HydrophobicContact CB-CB 4.43Å; C827-I830 HydrophobicContact CB-CD1 4.31Å; C827-I830 PolarHBondContact O-N 3.46Å; C827-A831 WeakPolarHBondContact O-CB 3.05Å; C827-A831 PolarHBondContact O-N 2.93Å; C827-C875 HydrophobicContact CB-CB 3.45Å; C827-C875 VanDerWaalsContact CB-CB 3.45Å; C827-C875 WeakPolarHBondContact CB-SG 3.44Å; C827-C875 WeakPolarHBondContact SG-CB 3.24Å; C827-C875 CovalentContact SG-SG 2.03Å; C827-C875 PolarHBondContact SG-SG 3.05Å; C827-F879 HydrophobicContact CB-CE2 4.23Å; C827-F879 HydrophobicContact CB-CZ 4.1Å
828	E	96.7	Very high	96	Very high	13 Å²	13	24.7 Å²	24.7	6%	0.061	12%	0.118	C	C	.	.	H	α-helix	trans	-63.2	-36.4	176	86.3	-66.3	174.9	0	0	111.2	L721 R724 F725 V821 N826 A831 M832	L721-E828 HydrophobicContact CB-CB 4.05Å; L721-E828 HydrophobicContact CB-CG 3.97Å; L721-E828 WeakPolarHBondContact CD1-OE2 3.35Å; R724-E828 IonicContact NH1-OE1 4Å; R724-E828 PolarHBondContact NH1-OE1 2.98Å; F725-E828 HydrophobicContact CE2-CB 3.78Å; F725-E828 HydrophobicContact CE2-CG 3.54Å; F725-E828 HydrophobicContact CZ-CG 4.05Å; V821-E828 HydrophobicContact CG1-CB 3.67Å; N826-E828 VanDerWaalsContact C-N 3.27Å; N826-E828 PolarHBondContact O-N 3.4Å; E828-A831 PolarHBondContact O-N 3.22Å; E828-M832 PolarHBondContact O-N 3.44Å
829	D	96.9	Very high	96	Very high	4 Å²	4	24.5 Å²	24.5	2%	0.021	12%	0.12	C	C	.	.	H	α-helix	trans	-65.5	-43	175	58.3	-3.7	0	0	0	112.2	L795 T796 C827 M832 N833 R872	L795-D829 HydrophobicContact CD2-CB 4.44Å; L795-D829 VanDerWaalsContact CD2-OD2 3.26Å; L795-D829 WeakPolarHBondContact CD2-OD2 3.42Å; T796-D829 WeakPolarHBondContact OG1-CA 3.42Å; T796-D829 WeakPolarHBondContact OG1-CB 3.28Å; C827-D829 VanDerWaalsContact C-N 3.26Å; C827-D829 PolarHBondContact O-N 3.48Å; D829-M832 PolarHBondContact O-N 3.06Å; D829-N833 PolarHBondContact O-N 3.06Å; D829-N833 PolarHBondContact O-ND2 2.69Å; D829-R872 IonicContact OD1-CZ 3.24Å; D829-R872 IonicContact OD1-NH1 3.89Å; D829-R872 PolarHBondContact OD1-NH1 2.95Å; D829-R872 IonicContact OD1-NH2 3Å; D829-R872 PolarHBondContact OD1-NH2 3.43Å; D829-R872 IonicContact OD2-CZ 3.5Å; D829-R872 VanDerWaalsContact OD2-CZ 3.29Å; D829-R872 IonicContact OD2-NH1 3.59Å; D829-R872 PolarHBondContact OD2-NH1 3.02Å; D829-R872 IonicContact OD2-NH2 2.66Å; D829-R872 PolarHBondContact OD2-NH2 3.08Å
830	I	98.1	Very high	96	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-63.3	-46.5	174.2	-61.6	174.6	0	0	0	109.2	Y783 M793 C827 M832 N833 F834 R872 I876 F879	Y783-I830 HydrophobicContact CD2-CD1 3.97Å; Y783-I830 HydrophobicContact CE2-CD1 4.38Å; M793-I830 HydrophobicContact SD-CB 4.44Å; M793-I830 HydrophobicContact SD-CG1 4.02Å; M793-I830 HydrophobicContact SD-CG2 4.15Å; C827-I830 HydrophobicContact CB-CB 4.43Å; C827-I830 HydrophobicContact CB-CD1 4.31Å; C827-I830 PolarHBondContact O-N 3.46Å; I830-M832 VanDerWaalsContact C-N 3.33Å; I830-M832 PolarHBondContact O-N 3.19Å; I830-N833 PolarHBondContact O-N 2.91Å; I830-F834 HydrophobicContact CG2-CD2 3.67Å; I830-F834 HydrophobicContact CG2-CE2 3.61Å; I830-F834 VanDerWaalsContact O-CD2 3.31Å; I830-F834 WeakPolarHBondContact O-CD2 3.49Å; I830-F834 PolarHBondContact O-N 2.68Å; I830-R872 HydrophobicContact CD1-CB 3.95Å; I830-R872 HydrophobicContact CD1-CG 3.88Å; I830-I876 HydrophobicContact CD1-CD1 4.43Å; I830-I876 HydrophobicContact CD1-CG1 4.16Å; I830-I876 HydrophobicContact CG2-CG1 3.87Å; I830-F879 HydrophobicContact CB-CE2 4.18Å; I830-F879 HydrophobicContact CG2-CD2 3.87Å; I830-F879 HydrophobicContact CG2-CE2 3.86Å
831	A	98.3	Very high	96.1	Very high	1 Å²	1	25 Å²	25	1%	0.008	12%	0.118	C	C	.	.	H	α-helix	trans	-58.9	-43.5	178.8	0	0	0	0	0	111.7	Y809 M813 I817 V821 C827 E828 F834 L835 F879	Y809-A831 HydrophobicContact CE2-CB 3.86Å; M813-A831 HydrophobicContact CE-CB 4.29Å; M813-A831 WeakPolarHBondContact CE-O 3.46Å; M813-A831 HydrophobicContact SD-CB 4.34Å; I817-A831 HydrophobicContact CG2-CB 3.86Å; V821-A831 HydrophobicContact CG2-CB 4.3Å; C827-A831 WeakPolarHBondContact O-CB 3.05Å; C827-A831 PolarHBondContact O-N 2.93Å; E828-A831 PolarHBondContact O-N 3.22Å; A831-F834 WeakPolarHBondContact O-CB 3.05Å; A831-F834 PolarHBondContact O-N 2.87Å; A831-L835 WeakPolarHBondContact O-CB 3.02Å; A831-L835 PolarHBondContact O-N 3.3Å; A831-F879 HydrophobicContact CB-CE2 3.86Å; A831-F879 HydrophobicContact CB-CZ 4.09Å
832	M	98.5	Very high	96.1	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-63.4	-42.3	175.2	-175	60	76.7	0	0	112.3	F725 I764 T796 F801 Y809 E828 D829 I830 L835 V836	F725-M832 HydrophobicContact CB-CE 4.04Å; F725-M832 HydrophobicContact CD1-CE 3.45Å; F725-M832 VanDerWaalsContact CD1-CE 3.45Å; F725-M832 HydrophobicContact CD2-CE 4.03Å; F725-M832 HydrophobicContact CE1-CE 3.8Å; F725-M832 HydrophobicContact CE2-CB 4.38Å; F725-M832 HydrophobicContact CE2-CE 4.29Å; F725-M832 HydrophobicContact CG-CE 3.59Å; F725-M832 HydrophobicContact CZ-CB 4.19Å; F725-M832 HydrophobicContact CZ-CE 4.2Å; I764-M832 HydrophobicContact CD1-CG 3.95Å; T796-M832 HydrophobicContact CG2-CB 4.03Å; T796-M832 HydrophobicContact CG2-CG 3.88Å; F801-M832 HydrophobicContact CE2-CE 4.41Å; Y809-M832 HydrophobicContact CD2-CB 4.44Å; Y809-M832 HydrophobicContact CD2-CE 3.59Å; Y809-M832 HydrophobicContact CD2-SD 4.21Å; Y809-M832 HydrophobicContact CE2-CB 4.45Å; Y809-M832 HydrophobicContact CE2-CE 4.39Å; Y809-M832 HydrophobicContact CG-CE 3.9Å; E828-M832 PolarHBondContact O-N 3.44Å; D829-M832 PolarHBondContact O-N 3.06Å; I830-M832 VanDerWaalsContact C-N 3.33Å; I830-M832 PolarHBondContact O-N 3.19Å; M832-L835 PolarHBondContact O-N 2.88Å; M832-L835 HydrophobicContact SD-CD2 4.23Å; M832-V836 WeakPolarHBondContact O-CG2 3.41Å; M832-V836 PolarHBondContact O-N 2.66Å; M832-V836 HydrophobicContact SD-CG2 4.18Å
833	N	98.6	Very high	96.3	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	14%	0.135	C	C	.	.	H	α-helix	trans	-64.4	-41.6	175.4	-81.3	-93.9	0	0	0	111.9	I764 M793 V794 D829 I830 L835 S837 L888	I764-N833 HydrophobicContact CD1-CB 4.44Å; M793-N833 WeakPolarHBondContact CA-OD1 3.42Å; M793-N833 HydrophobicContact CB-CB 4.35Å; M793-N833 HydrophobicContact CG-CB 3.88Å; V794-N833 PolarHBondContact N-OD1 3.04Å; V794-N833 PolarHBondContact O-ND2 2.94Å; V794-N833 PolarHBondContact O-OD1 3.03Å; D829-N833 PolarHBondContact O-N 3.06Å; D829-N833 PolarHBondContact O-ND2 2.69Å; I830-N833 PolarHBondContact O-N 2.91Å; N833-L835 VanDerWaalsContact C-N 3.34Å; N833-L835 PolarHBondContact O-N 2.88Å; N833-S837 VanDerWaalsContact O-CB 3.31Å; N833-S837 WeakPolarHBondContact O-CB 3.28Å; N833-S837 PolarHBondContact O-N 2.83Å; N833-S837 PolarHBondContact O-OG 3.19Å; N833-L888 HydrophobicContact CB-CD2 3.88Å
834	F	98.4	Very high	96.4	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-57.7	-47.3	174	-95.3	-115	0	0	0	111.1	I830 A831 H838 I876 F879 V880 Y883 M886 P887 L888	I830-F834 HydrophobicContact CG2-CD2 3.67Å; I830-F834 HydrophobicContact CG2-CE2 3.61Å; I830-F834 VanDerWaalsContact O-CD2 3.31Å; I830-F834 WeakPolarHBondContact O-CD2 3.49Å; I830-F834 PolarHBondContact O-N 2.68Å; A831-F834 WeakPolarHBondContact O-CB 3.05Å; A831-F834 PolarHBondContact O-N 2.87Å; F834-H838 WeakPolarHBondContact O-CB 3.02Å; F834-H838 PolarHBondContact O-N 3.21Å; F834-I876 HydrophobicContact CE2-CG1 4.43Å; F834-I876 HydrophobicContact CZ-CG2 4.1Å; F834-F879 HydrophobicContact CD1-CB 3.67Å; F834-F879 HydrophobicContact CD1-CD2 4.49Å; F834-F879 HydrophobicContact CD2-CD2 4.28Å; F834-F879 HydrophobicContact CE1-CB 3.51Å; F834-F879 HydrophobicContact CE2-CD2 4.4Å; F834-F879 HydrophobicContact CG-CB 4.32Å; F834-F879 HydrophobicContact CG-CD2 4.32Å; F834-F879 HydrophobicContact CZ-CB 4.03Å; F834-V880 HydrophobicContact CE1-CG2 3.96Å; F834-V880 HydrophobicContact CZ-CG2 4.03Å; F834-Y883 HydrophobicContact CB-CE2 3.97Å; F834-Y883 AromaticContact CD1-CD2 3.75Å; F834-Y883 HydrophobicContact CD1-CD2 3.75Å; F834-Y883 AromaticContact CD1-CE2 3.89Å; F834-Y883 HydrophobicContact CD1-CE2 3.89Å; F834-Y883 HydrophobicContact CE1-CD2 4.5Å; F834-Y883 HydrophobicContact CG-CE2 4.43Å; F834-M886 HydrophobicContact CE1-SD 4.21Å; F834-M886 HydrophobicContact CE2-SD 4.38Å; F834-M886 HydrophobicContact CZ-CE 4.24Å; F834-M886 HydrophobicContact CZ-SD 3.7Å; F834-P887 VanDerWaalsContact CD1-CD 3.41Å; F834-P887 HydrophobicContact CD1-CG 3.65Å; F834-P887 HydrophobicContact CE1-CG 4.06Å; F834-P887 HydrophobicContact CG-CG 4.47Å; F834-L888 HydrophobicContact CD2-CD1 3.83Å; F834-L888 HydrophobicContact CD2-CD2 3.71Å; F834-L888 HydrophobicContact CD2-CG 3.64Å; F834-L888 HydrophobicContact CE2-CD1 3.36Å; F834-L888 HydrophobicContact CE2-CD2 4.12Å; F834-L888 HydrophobicContact CE2-CG 3.54Å; F834-L888 HydrophobicContact CG-CD2 4.37Å; F834-L888 HydrophobicContact CG-CG 4.39Å; F834-L888 HydrophobicContact CZ-CD1 4.16Å; F834-L888 HydrophobicContact CZ-CG 4.18Å
835	L	98.2	Very high	96.7	Very high	4 Å²	4	19.6 Å²	19.6	2%	0.021	10%	0.095	C	C	.	.	H	α-helix	trans	-59.3	-55.5	178.2	179.6	65.3	0	0	0	111.8	L808 Y809 M813 A831 M832 N833 S837 H838 I839	L808-L835 HydrophobicContact CB-CD1 4.28Å; L808-L835 HydrophobicContact CB-CD2 3.88Å; L808-L835 HydrophobicContact CB-CG 4.46Å; Y809-L835 HydrophobicContact CD2-CD2 4.36Å; M813-L835 HydrophobicContact CE-CB 3.64Å; M813-L835 HydrophobicContact CE-CD1 4.27Å; M813-L835 HydrophobicContact CE-CD2 3.94Å; M813-L835 HydrophobicContact CE-CG 4.16Å; A831-L835 WeakPolarHBondContact O-CB 3.02Å; A831-L835 PolarHBondContact O-N 3.3Å; M832-L835 PolarHBondContact O-N 2.88Å; M832-L835 HydrophobicContact SD-CD2 4.23Å; N833-L835 VanDerWaalsContact C-N 3.34Å; N833-L835 PolarHBondContact O-N 2.88Å; L835-S837 PolarHBondContact O-N 3.33Å; L835-H838 WeakPolarHBondContact O-CB 3.46Å; L835-H838 PolarHBondContact O-N 3.49Å; L835-I839 HydrophobicContact CD1-CG1 4.17Å; L835-I839 VanDerWaalsContact O-CG1 3.29Å; L835-I839 WeakPolarHBondContact O-CG1 3.29Å; L835-I839 PolarHBondContact O-N 3.49Å
836	V	98.1	Very high	96.8	Very high	4 Å²	4	16.7 Å²	16.7	2%	0.024	8%	0.08	C	C	.	.	H	α-helix	trans	-64	-41.9	-175.6	177.1	0	0	0	0	110.9	I764 Y805 M832 I839 T840	I764-V836 HydrophobicContact CD1-CB 4.07Å; I764-V836 HydrophobicContact CD1-CG2 3.88Å; I764-V836 HydrophobicContact CG1-CB 4.12Å; I764-V836 HydrophobicContact CG1-CG1 4.16Å; I764-V836 HydrophobicContact CG1-CG2 3.87Å; Y805-V836 HydrophobicContact CD1-CG2 3.8Å; Y805-V836 HydrophobicContact CD2-CG2 3.85Å; Y805-V836 HydrophobicContact CE1-CG1 4.39Å; Y805-V836 HydrophobicContact CE1-CG2 4.05Å; Y805-V836 HydrophobicContact CE2-CG1 4.09Å; Y805-V836 HydrophobicContact CE2-CG2 4.07Å; Y805-V836 HydrophobicContact CG-CG2 3.71Å; M832-V836 WeakPolarHBondContact O-CG2 3.41Å; M832-V836 PolarHBondContact O-N 2.66Å; M832-V836 HydrophobicContact SD-CG2 4.18Å; V836-I839 PolarHBondContact O-N 2.74Å; V836-T840 HydrophobicContact CG1-CG2 4.36Å; V836-T840 WeakPolarHBondContact O-CB 3.4Å; V836-T840 WeakPolarHBondContact O-CG2 3.47Å; V836-T840 PolarHBondContact O-N 3.42Å; V836-T840 PolarHBondContact O-OG1 3.05Å
837	S	97.6	Very high	96.7	Very high	2 Å²	2	16.4 Å²	16.4	1%	0.014	8%	0.079	C	C	.	.	H	α-helix	trans	-70.4	-30.8	175.9	-70.8	0	0	0	0	113.2	N833 L835 R841 K842	N833-S837 VanDerWaalsContact O-CB 3.31Å; N833-S837 WeakPolarHBondContact O-CB 3.28Å; N833-S837 PolarHBondContact O-N 2.83Å; N833-S837 PolarHBondContact O-OG 3.19Å; L835-S837 PolarHBondContact O-N 3.33Å; S837-R841 WeakPolarHBondContact O-CA 3.36Å; S837-R841 PolarHBondContact O-N 3.2Å; S837-R841 PolarHBondContact O-NH1 3.1Å; S837-K842 PolarHBondContact OG-O 3.21Å
838	H	95.9	Very high	95.9	Very high	46 Å²	46	16.5 Å²	16.5	21%	0.213	8%	0.079	C	C	.	.	H	α-helix	trans	-64.3	-49.5	172.6	179.4	90.2	0	0	0	111	F834 L835 R841 Y883 Y885 P887	F834-H838 WeakPolarHBondContact O-CB 3.02Å; F834-H838 PolarHBondContact O-N 3.21Å; L835-H838 WeakPolarHBondContact O-CB 3.46Å; L835-H838 PolarHBondContact O-N 3.49Å; H838-R841 WeakPolarHBondContact O-CD 3.44Å; H838-Y883 HydrophobicContact CB-CD1 4.45Å; H838-Y883 HydrophobicContact CB-CE1 4Å; H838-Y883 AromaticContact CE1-CD1 3.67Å; H838-Y883 AromaticContact CG-CD1 3.86Å; H838-Y883 AromaticContact CG-CE1 3.61Å; H838-Y883 AromaticContact ND1-CD1 3.34Å; H838-Y883 VanDerWaalsContact ND1-CD1 3.34Å; H838-Y883 WeakPolarHBondContact ND1-CD1 3.32Å; H838-Y883 AromaticContact ND1-CE1 3.61Å; H838-Y885 AromaticContact CE1-CE1 3.87Å; H838-Y885 AromaticContact ND1-CE1 3.58Å; H838-Y885 AromaticContact ND1-CZ 3.62Å; H838-Y885 PolarHBondContact ND1-OH 2.83Å; H838-P887 HydrophobicContact CB-CB 3.9Å; H838-P887 HydrophobicContact CB-CG 4.46Å
839	I	95.3	Very high	94.4	Very high	43 Å²	43	19.1 Å²	19.1	22%	0.221	10%	0.099	C	C	.	.	H	α-helix	trans	-69.9	-46.4	-176.7	-63.3	-65.6	0	0	0	112	A603 Y805 L808 L835 V836	A603-I839 HydrophobicContact CB-CD1 3.44Å; A603-I839 VanDerWaalsContact CB-CD1 3.44Å; Y805-I839 HydrophobicContact CE1-CG2 4.43Å; L808-I839 HydrophobicContact CD1-CD1 4.18Å; L808-I839 HydrophobicContact CD1-CG1 3.99Å; L808-I839 HydrophobicContact CD1-CG2 4.46Å; L835-I839 HydrophobicContact CD1-CG1 4.17Å; L835-I839 VanDerWaalsContact O-CG1 3.29Å; L835-I839 WeakPolarHBondContact O-CG1 3.29Å; L835-I839 PolarHBondContact O-N 3.49Å; V836-I839 PolarHBondContact O-N 2.74Å
840	T	95.8	Very high	93.1	Very high	29 Å²	29	22.6 Å²	22.6	18%	0.178	11%	0.112	C	C	.	.	H	α-helix	trans	-90.8	-21.3	-172.9	63.4	0	0	0	0	114.4	D762 Y805 V836 K842	D762-T840 HydrophobicContact CB-CG2 4.29Å; D762-T840 VanDerWaalsContact O-CG2 3.27Å; D762-T840 WeakPolarHBondContact O-CG2 3.4Å; Y805-T840 WeakPolarHBondContact OH-CG2 3.25Å; V836-T840 HydrophobicContact CG1-CG2 4.36Å; V836-T840 WeakPolarHBondContact O-CB 3.4Å; V836-T840 WeakPolarHBondContact O-CG2 3.47Å; V836-T840 PolarHBondContact O-N 3.42Å; V836-T840 PolarHBondContact O-OG1 3.05Å; T840-K842 PolarHBondContact O-N 2.76Å; T840-K842 PolarHBondContact OG1-N 3.31Å; T840-K842 VanDerWaalsContact OG1-N 3.17Å
841	R	95.3	Very high	91.5	Very high	74 Å²	74	26 Å²	26	28%	0.279	13%	0.125	S	C	.	.			trans	54.1	33.3	-167.2	-55.3	-54.2	-55.5	148.2	2	112.7	S837 H838 Y885 P887 L889	S837-R841 WeakPolarHBondContact O-CA 3.36Å; S837-R841 PolarHBondContact O-N 3.2Å; S837-R841 PolarHBondContact O-NH1 3.1Å; H838-R841 WeakPolarHBondContact O-CD 3.44Å; R841-Y885 PolarHBondContact NH1-OH 2.95Å; R841-P887 PolarHBondContact NH1-O 2.92Å; R841-L889 WeakPolarHBondContact O-CD1 3.47Å
842	K	97	Very high	89.9	Confident	86 Å²	86	28.7 Å²	28.7	37%	0.374	14%	0.141	S	C	.	.			trans	-122.7	147.4	174.7	-63.5	176.5	-175.2	174.5	0	110.8	D762 R763 S837 T840	D762-K842 WeakPolarHBondContact OD2-CD 3.48Å; D762-K842 WeakPolarHBondContact OD2-CE 3.35Å; D762-K842 IonicContact OD2-NZ 3.9Å; D762-K842 PolarHBondContact OD2-NZ 3.01Å; R763-K842 HydrophobicContact CG-CB 4.15Å; R763-K842 HydrophobicContact CG-CD 4.36Å; S837-K842 PolarHBondContact OG-O 3.21Å; T840-K842 PolarHBondContact O-N 2.76Å; T840-K842 PolarHBondContact OG1-N 3.31Å; T840-K842 VanDerWaalsContact OG1-N 3.17Å
843	P	97.6	Very high	88.6	Confident	27 Å²	27	31 Å²	31	18%	0.175	15%	0.152	C	C	.	.			trans	-73.2	160.5	169.6	32.9	-35.8	0	0	0	110.9	R763 L889 T891	R763-P843 VanDerWaalsContact CD-O 3.23Å; R763-P843 WeakPolarHBondContact CD-O 3.49Å; P843-L889 HydrophobicContact CB-CB 4.1Å; P843-L889 WeakPolarHBondContact CB-O 3.41Å; P843-T891 HydrophobicContact CB-CG2 3.76Å; P843-T891 HydrophobicContact CG-CG2 4.21Å
844	P	97.3	Very high	87	Confident	5 Å²	5	40.9 Å²	40.9	3%	0.032	19%	0.189	C	C	.	.			trans	-67.9	170.4	173.9	31.8	-37	0	0	0	111.7	I764 L791 V794	I764-P844 HydrophobicContact CB-CB 4.27Å; L791-P844 HydrophobicContact CD1-CG 3.93Å; V794-P844 HydrophobicContact CB-CB 4.04Å; V794-P844 HydrophobicContact CB-CG 4.41Å; V794-P844 HydrophobicContact CG2-CB 3.75Å; V794-P844 HydrophobicContact CG2-CG 3.95Å
845	I	97.2	Very high	85.4	Confident	3 Å²	3	42.4 Å²	42.4	2%	0.015	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	124.2	174.9	-54.8	178.8	0	0	0	109.7	V756 A760 R763 I764 V765 G766 F893 V895	V756-I845 HydrophobicContact CG1-CG2 4.17Å; A760-I845 HydrophobicContact CB-CD1 3.35Å; R763-I845 HydrophobicContact CB-CG1 4.44Å; R763-I845 VanDerWaalsContact NH2-CD1 3.35Å; I764-I845 PolarHBondContact O-N 2.71Å; V765-I845 WeakPolarHBondContact CA-O 3.36Å; V765-I845 HydrophobicContact CG1-CB 4.49Å; V765-I845 HydrophobicContact CG2-CB 4.13Å; V765-I845 HydrophobicContact CG2-CD1 4.12Å; V765-I845 HydrophobicContact CG2-CG1 4.45Å; G766-I845 PolarHBondContact N-O 3.46Å; G766-I845 VanDerWaalsContact N-O 3.12Å; I845-F893 HydrophobicContact CG2-CD1 4.23Å; I845-F893 HydrophobicContact CG2-CE1 4.19Å; I845-V895 HydrophobicContact CG2-CB 4.38Å; I845-V895 HydrophobicContact CG2-CG2 3.56Å
846	K	93.7	Very high	83.6	Confident	3 Å²	3	48 Å²	48	1%	0.013	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	131.4	169.7	-177.7	173.5	178.2	-179.4	0	110.9	G766 F767 L791 T848 R850 W851 R894 V895	G766-K846 WeakPolarHBondContact O-CA 3.27Å; F767-K846 WeakPolarHBondContact O-CE 3.34Å; L791-K846 HydrophobicContact CD2-CB 3.57Å; L791-K846 HydrophobicContact CD2-CD 3.71Å; L791-K846 HydrophobicContact CD2-CG 4.26Å; K846-T848 WeakPolarHBondContact CE-O 3.36Å; K846-R850 WeakPolarHBondContact CE-O 3.47Å; K846-W851 HydrophobicContact CD-CZ3 4.45Å; K846-W851 VanDerWaalsContact NZ-CZ3 3.26Å; K846-R894 WeakPolarHBondContact O-CA 3.24Å; K846-V895 PolarHBondContact O-N 3.35Å
847	V	91.3	Very high	81.7	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	145.9	167.7	-68.6	0	0	0	0	110.2	F752 V756 V765 G766 F767 V895	F752-V847 HydrophobicContact CD1-CB 4.18Å; F752-V847 HydrophobicContact CD1-CG1 4.36Å; F752-V847 HydrophobicContact CE1-CB 3.9Å; F752-V847 HydrophobicContact CE1-CG1 3.92Å; V756-V847 HydrophobicContact CB-CG1 4.02Å; V756-V847 HydrophobicContact CG1-CG1 3.93Å; V756-V847 HydrophobicContact CG2-CG1 3.97Å; V765-V847 HydrophobicContact CG1-CG1 3.77Å; G766-V847 VanDerWaalsContact O-CG2 3.25Å; G766-V847 WeakPolarHBondContact O-CG2 3.35Å; G766-V847 PolarHBondContact O-N 3.28Å; F767-V847 HydrophobicContact CD1-CG2 3.51Å; F767-V847 HydrophobicContact CE1-CG2 3.53Å; F767-V847 HydrophobicContact CG-CG2 4.07Å; F767-V847 HydrophobicContact CZ-CG2 4.09Å; V847-V895 HydrophobicContact CG1-CB 4.47Å
848	T	77.3	Confident	80	Confident	2 Å²	2	51.5 Å²	51.5	1%	0.012	27%	0.269	C	S	.	.	S	Bend	trans	59.6	174.5	177	90.6	0	0	0	0	115.3	F752 F767 K846 R894 I915	F752-T848 HydrophobicContact CD1-CG2 4.18Å; F752-T848 HydrophobicContact CE1-CG2 4.46Å; F767-T848 HydrophobicContact CD1-CG2 3.94Å; F767-T848 HydrophobicContact CE1-CG2 4.03Å; K846-T848 WeakPolarHBondContact CE-O 3.36Å; T848-R894 WeakPolarHBondContact O-CD 3.5Å; T848-I915 HydrophobicContact CG2-CG2 3.8Å
849	S	65.4	Low	78.1	Confident	68 Å²	68	55.9 Å²	55.9	48%	0.476	30%	0.302	S	S	.	.	S	Bend	trans	-86.7	-8.8	-175.6	65.4	0	0	0	0	114.9	W851	S849-W851 PolarHBondContact O-N 2.98Å
850	R	71	Confident	76.4	Confident	77 Å²	77	61.5 Å²	61.5	29%	0.291	33%	0.327	S	S	.	.			trans	-65.2	125.8	-176.5	-68.4	-178.9	172.7	-169.9	-11.2	110.1	H744 E749 K846	H744-R850 PolarHBondContact O-NH1 3.03Å; E749-R850 IonicContact OE1-CZ 3.08Å; E749-R850 IonicContact OE1-NE 3.59Å; E749-R850 PolarHBondContact OE1-NE 3.46Å; E749-R850 IonicContact OE1-NH1 3.46Å; E749-R850 PolarHBondContact OE1-NH1 3.45Å; E749-R850 IonicContact OE1-NH2 2.76Å; E749-R850 PolarHBondContact OE1-NH2 3.37Å; E749-R850 IonicContact OE2-CZ 3.94Å; E749-R850 VanDerWaalsContact OE2-CZ 3.22Å; E749-R850 IonicContact OE2-NE 3.82Å; E749-R850 IonicContact OE2-NH1 2.75Å; E749-R850 PolarHBondContact OE2-NH1 3Å; E749-R850 IonicContact OE2-NH2 3.52Å; K846-R850 WeakPolarHBondContact CE-O 3.47Å
851	W	63	Low	75	Confident	71 Å²	71	60.7 Å²	60.7	27%	0.269	32%	0.324	S	S	.	.			trans	-97.8	-36.7	177.4	-70.6	95.8	0	0	0	111.7	P768 R770 Y787 S788 K846 S849	P768-W851 WeakPolarHBondContact CA-O 3.44Å; P768-W851 WeakPolarHBondContact CB-O 3.23Å; R770-W851 PolarHBondContact NH1-O 2.96Å; Y787-W851 HydrophobicContact CD1-CB 4.26Å; Y787-W851 AromaticContact CD1-CD1 3.71Å; Y787-W851 HydrophobicContact CD1-CD2 4.08Å; Y787-W851 AromaticContact CD1-CG 3.76Å; Y787-W851 HydrophobicContact CD1-CG 3.76Å; Y787-W851 AromaticContact CD1-NE1 3.97Å; Y787-W851 HydrophobicContact CE1-CB 3.82Å; Y787-W851 AromaticContact CE1-CD1 3.63Å; Y787-W851 HydrophobicContact CE1-CD2 4.5Å; Y787-W851 AromaticContact CE1-CG 3.71Å; Y787-W851 HydrophobicContact CE1-CG 3.71Å; S788-W851 VanDerWaalsContact O-CH2 3.29Å; S788-W851 WeakPolarHBondContact O-CH2 2.76Å; K846-W851 HydrophobicContact CD-CZ3 4.45Å; K846-W851 VanDerWaalsContact NZ-CZ3 3.26Å; S849-W851 PolarHBondContact O-N 2.98Å
852	T	65.7	Low	73.6	Confident	58 Å²	58	62.5 Å²	62.5	36%	0.356	34%	0.338	S	S	.	.			trans	-140.7	154.6	178.2	70.2	0	0	0	0	110	R770	R770-T852 VanDerWaalsContact NH2-CG2 3.27Å
853	F	70.5	Confident	72.2	Confident	49 Å²	49	61.5 Å²	61.5	22%	0.215	34%	0.342	C	S	.	.			trans	-96.7	138.7	165	-65.4	-74.5	0	0	0	108.3	H744 L745 F767 P768 A798	H744-F853 WeakPolarHBondContact O-CE1 3.31Å; L745-F853 HydrophobicContact CD2-CE1 3.71Å; L745-F853 HydrophobicContact CD2-CZ 3.44Å; L745-F853 VanDerWaalsContact CD2-CZ 3.44Å; L745-F853 HydrophobicContact CG-CE1 4.26Å; L745-F853 HydrophobicContact CG-CZ 4.1Å; F767-F853 HydrophobicContact CB-CE2 4.11Å; F767-F853 HydrophobicContact CB-CZ 3.88Å; F767-F853 HydrophobicContact CG-CZ 4.31Å; P768-F853 HydrophobicContact CG-CD2 3.68Å; P768-F853 HydrophobicContact CG-CE2 3.4Å; P768-F853 VanDerWaalsContact CG-CE2 3.4Å; A798-F853 HydrophobicContact CB-CD2 4.09Å; A798-F853 HydrophobicContact CB-CE2 3.37Å; A798-F853 HydrophobicContact CB-CZ 4.07Å
854	R	65.1	Low	70.7	Confident	207 Å²	207	66.9 Å²	66.9	78%	0.781	37%	0.365	S	S	*	.			trans	-110.6	130.4	171.7	-66.3	-172.4	-179.1	-166.8	-1.1	107.5	P856	R854-P856 WeakPolarHBondContact O-CD 3.41Å
855	C	66.1	Low	69.5	Low	33 Å²	33	71.1 Å²	71.1	22%	0.223	39%	0.387	C	S	.	.			trans	-93.9	109.1	169.5	179.7	0	0	0	0	109.2	D742 G857 C858	D742-C855 HydrophobicContact CB-CB 3.9Å; C855-G857 VanDerWaalsContact C-N 3.29Å; C855-G857 PolarHBondContact O-N 3.39Å; C855-C858 HydrophobicContact CB-CB 3.74Å; C855-C858 WeakPolarHBondContact CB-SG 3.46Å; C855-C858 WeakPolarHBondContact SG-CB 3.43Å; C855-C858 PolarHBondContact SG-N 3.4Å; C855-C858 CovalentContact SG-SG 2.04Å; C855-C858 PolarHBondContact SG-SG 3.24Å
856	P	59	Low	68.2	Low	121 Å²	121	78.5 Å²	78.5	79%	0.786	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-20	-178.8	-16.8	32.3	0	0	0	113.9	R854	R854-P856 WeakPolarHBondContact O-CD 3.41Å
857	G	59.3	Low	67.6	Low	60 Å²	60	80.1 Å²	80.1	62%	0.619	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.1	5.5	-174	0	0	0	0	0	115.4	C855 P859	C855-G857 VanDerWaalsContact C-N 3.29Å; C855-G857 PolarHBondContact O-N 3.39Å; G857-P859 WeakPolarHBondContact O-CD 3.49Å
858	C	62.2	Low	67.1	Low	19 Å²	19	80.8 Å²	80.8	13%	0.128	44%	0.442	C	S	.	.			trans	-89.3	116.2	-178.3	-64.7	0	0	0	0	109.8	C855 Q860	C855-C858 HydrophobicContact CB-CB 3.74Å; C855-C858 WeakPolarHBondContact CB-SG 3.46Å; C855-C858 WeakPolarHBondContact SG-CB 3.43Å; C855-C858 PolarHBondContact SG-N 3.4Å; C855-C858 CovalentContact SG-SG 2.04Å; C855-C858 PolarHBondContact SG-SG 3.24Å; C858-Q860 VanDerWaalsContact C-N 3.31Å; C858-Q860 PolarHBondContact O-N 3.39Å
859	P	54.2	Low	67.4	Low	139 Å²	139	84.7 Å²	84.7	90%	0.903	46%	0.458	S	S	*	.	S	Bend	trans	-68.2	-27.9	-176.8	24.6	-32.1	0	0	0	113.3	G857	G857-P859 WeakPolarHBondContact O-CD 3.49Å
860	Q	61.5	Low	68.6	Low	160 Å²	160	86.5 Å²	86.5	75%	0.748	46%	0.459	S	S	*	.			trans	-149.4	130.7	174.4	-161.5	170.7	25.7	0	0	109.5	R668 C858	R668-Q860 PolarHBondContact NH2-O 3.25Å; C858-Q860 VanDerWaalsContact C-N 3.31Å; C858-Q860 PolarHBondContact O-N 3.39Å
861	A	64.6	Low	69.6	Low	13 Å²	13	84.8 Å²	84.8	11%	0.107	45%	0.454	C	S	.	.			trans	-120.4	148.6	173.6	0	0	0	0	0	109.1	S863 H864	A861-S863 PolarHBondContact O-N 3.07Å; A861-S863 VanDerWaalsContact O-N 3.1Å; A861-H864 VanDerWaalsContact CB-CD2 3.46Å; A861-H864 WeakPolarHBondContact CB-CD2 2.78Å; A861-H864 WeakPolarHBondContact O-CB 3.31Å; A861-H864 PolarHBondContact O-N 2.89Å
862	L	66.3	Low	71.1	Confident	111 Å²	111	82.1 Å²	82.1	58%	0.581	44%	0.444	S	S	*	.	G	3₁₀ helix	trans	-55.6	-31.5	-179.2	-70.9	165.7	0	0	0	112.4	H864 D865 H868	L862-H864 VanDerWaalsContact C-N 3.26Å; L862-H864 PolarHBondContact O-N 2.99Å; L862-D865 PolarHBondContact O-N 2.82Å; L862-H868 PolarHBondContact O-ND1 3.47Å
863	S	67.9	Low	72.4	Confident	66 Å²	66	81.3 Å²	81.3	46%	0.462	44%	0.436	S	S	.	.	G	3₁₀ helix	trans	-74.1	-10.1	177.1	63.3	0	0	0	0	115.1	A861	A861-S863 PolarHBondContact O-N 3.07Å; A861-S863 VanDerWaalsContact O-N 3.1Å
864	H	66.2	Low	73.6	Confident	140 Å²	140	83.1 Å²	83.1	65%	0.648	44%	0.444	S	S	*	.	G	3₁₀ helix	trans	-85.3	-10	176.4	-71.8	-62.5	0	0	0	112.9	A861 L862	A861-H864 VanDerWaalsContact CB-CD2 3.46Å; A861-H864 WeakPolarHBondContact CB-CD2 2.78Å; A861-H864 WeakPolarHBondContact O-CB 3.31Å; A861-H864 PolarHBondContact O-N 2.89Å; L862-H864 VanDerWaalsContact C-N 3.26Å; L862-H864 PolarHBondContact O-N 2.99Å
865	D	71.6	Confident	75.1	Confident	94 Å²	94	73.3 Å²	73.3	50%	0.503	41%	0.407	S	S	.	.	S	Bend	trans	-73.5	132.6	171.3	-169.6	-11.7	0	0	0	110.2	L862 S867 H868	L862-D865 PolarHBondContact O-N 2.82Å; D865-S867 PolarHBondContact O-N 2.72Å; D865-S867 PolarHBondContact OD1-N 3.09Å; D865-S867 PolarHBondContact OD1-OG 2.97Å; D865-S867 PolarHBondContact OD2-OG 2.84Å; D865-H868 WeakPolarHBondContact O-CB 3.23Å; D865-H868 PolarHBondContact O-N 3.32Å; D865-H868 VanDerWaalsContact O-N 3.08Å
866	D	70.1	Confident	76.6	Confident	158 Å²	158	71.7 Å²	71.7	85%	0.845	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-26.3	176.9	-69.8	-29.8	0	0	0	111.7	H868	D866-H868 VanDerWaalsContact C-N 3.33Å
867	S	80.8	Confident	78.3	Confident	36 Å²	36	68.3 Å²	68.3	25%	0.252	37%	0.372	S	S	.	.	H	α-helix	trans	-71.5	-24.8	177	74.9	0	0	0	0	113.4	D865 F869 H870 E871	D865-S867 PolarHBondContact O-N 2.72Å; D865-S867 PolarHBondContact OD1-N 3.09Å; D865-S867 PolarHBondContact OD1-OG 2.97Å; D865-S867 PolarHBondContact OD2-OG 2.84Å; S867-F869 PolarHBondContact O-N 3.48Å; S867-H870 WeakPolarHBondContact O-CA 3.46Å; S867-H870 WeakPolarHBondContact O-CB 3.41Å; S867-H870 PolarHBondContact O-N 3.2Å; S867-E871 WeakPolarHBondContact O-CG 3.24Å; S867-E871 PolarHBondContact O-N 3.44Å
868	H	81	Confident	80	Confident	15 Å²	15	68 Å²	68	7%	0.069	35%	0.353	C	S	.	.	H	α-helix	trans	-55.8	-44.3	-166.8	179.6	82.5	0	0	0	113.6	N826 L862 D865 D866 R872	N826-H868 PolarHBondContact ND2-ND1 3.41Å; N826-H868 VanDerWaalsContact ND2-ND1 3.15Å; L862-H868 PolarHBondContact O-ND1 3.47Å; D865-H868 WeakPolarHBondContact O-CB 3.23Å; D865-H868 PolarHBondContact O-N 3.32Å; D865-H868 VanDerWaalsContact O-N 3.08Å; D866-H868 VanDerWaalsContact C-N 3.33Å; H868-R872 PolarHBondContact CE1-NE 3.05Å; H868-R872 PolarHBondContact NE2-NE 2.9Å; H868-R872 VanDerWaalsContact NE2-NE 3.18Å; H868-R872 WeakPolarHBondContact O-CG 3.46Å; H868-R872 PolarHBondContact O-N 2.88Å
869	F	84.9	Confident	81.6	Confident	83 Å²	83	67.1 Å²	67.1	36%	0.364	35%	0.347	S	S	.	.	H	α-helix	trans	-69.8	-39.5	178.8	-74.7	-84.8	0	0	0	111.8	Y783 S785 S867 R872 H873	Y783-F869 AromaticContact CD1-CD1 3.89Å; Y783-F869 HydrophobicContact CD1-CD1 3.89Å; Y783-F869 HydrophobicContact CD1-CE1 4.21Å; Y783-F869 HydrophobicContact CE1-CD1 4.03Å; Y783-F869 AromaticContact CE1-CE1 3.9Å; Y783-F869 HydrophobicContact CE1-CE1 3.9Å; S785-F869 WeakPolarHBondContact OG-CE1 3.29Å; S867-F869 PolarHBondContact O-N 3.48Å; F869-R872 PolarHBondContact O-N 3.23Å; F869-H873 PolarHBondContact O-CE1 3.21Å; F869-H873 VanDerWaalsContact O-CE1 3.27Å; F869-H873 VanDerWaalsContact O-CG 3.24Å; F869-H873 PolarHBondContact O-N 2.95Å; F869-H873 PolarHBondContact O-ND1 3.42Å
870	H	88.8	Confident	83.5	Confident	106 Å²	106	61.6 Å²	61.6	49%	0.491	31%	0.311	S	S	.	.	H	α-helix	trans	-66.8	-40.7	-179.8	-174.5	65.7	0	0	0	111.7	S867 H873 K874	S867-H870 WeakPolarHBondContact O-CA 3.46Å; S867-H870 WeakPolarHBondContact O-CB 3.41Å; S867-H870 PolarHBondContact O-N 3.2Å; H870-H873 WeakPolarHBondContact O-CB 3.32Å; H870-H873 PolarHBondContact O-N 3.5Å; H870-K874 PolarHBondContact CD2-NZ 3.31Å; H870-K874 WeakPolarHBondContact NE2-CE 3.46Å; H870-K874 PolarHBondContact NE2-NZ 3.44Å; H870-K874 WeakPolarHBondContact O-CG 2.9Å; H870-K874 PolarHBondContact O-N 2.94Å
871	E	91.9	Very high	85	Confident	41 Å²	41	59.1 Å²	59.1	19%	0.192	30%	0.298	C	S	.	.	H	α-helix	trans	-59.6	-46.6	171.5	-68.2	176.4	165.2	0	0	111.6	Y824 N826 S867 H873 K874 C875	Y824-E871 HydrophobicContact CD1-CB 4.33Å; Y824-E871 HydrophobicContact CD1-CG 3.84Å; Y824-E871 HydrophobicContact CE1-CG 4.37Å; Y824-E871 HydrophobicContact CG-CG 4.49Å; N826-E871 PolarHBondContact ND2-OE2 2.85Å; N826-E871 VanDerWaalsContact ND2-OE2 3.09Å; S867-E871 WeakPolarHBondContact O-CG 3.24Å; S867-E871 PolarHBondContact O-N 3.44Å; E871-H873 VanDerWaalsContact C-N 3.28Å; E871-H873 PolarHBondContact O-N 3.38Å; E871-K874 CarbonylContact O-C 3.44Å; E871-K874 WeakPolarHBondContact O-CA 3.35Å; E871-K874 WeakPolarHBondContact O-CB 3.4Å; E871-K874 PolarHBondContact O-N 2.85Å; E871-C875 PolarHBondContact O-N 2.88Å; E871-C875 PolarHBondContact O-SG 3.07Å
872	R	94.8	Very high	86.3	Confident	15 Å²	15	58.7 Å²	58.7	6%	0.057	29%	0.294	C	S	.	.	H	α-helix	trans	-61.3	-35.1	176.1	-73.9	-174.8	171	-128.1	-0	112.9	Y783 N826 D829 I830 H868 F869 C875 I876	Y783-R872 HydrophobicContact CD1-CB 4.01Å; Y783-R872 HydrophobicContact CD2-CB 4.49Å; Y783-R872 HydrophobicContact CG-CB 3.88Å; Y783-R872 PolarHBondContact OH-NH1 3.34Å; N826-R872 PolarHBondContact OD1-NE 3.02Å; N826-R872 PolarHBondContact OD1-NH2 2.7Å; D829-R872 IonicContact OD1-CZ 3.24Å; D829-R872 IonicContact OD1-NH1 3.89Å; D829-R872 PolarHBondContact OD1-NH1 2.95Å; D829-R872 IonicContact OD1-NH2 3Å; D829-R872 PolarHBondContact OD1-NH2 3.43Å; D829-R872 IonicContact OD2-CZ 3.5Å; D829-R872 VanDerWaalsContact OD2-CZ 3.29Å; D829-R872 IonicContact OD2-NH1 3.59Å; D829-R872 PolarHBondContact OD2-NH1 3.02Å; D829-R872 IonicContact OD2-NH2 2.66Å; D829-R872 PolarHBondContact OD2-NH2 3.08Å; I830-R872 HydrophobicContact CD1-CB 3.95Å; I830-R872 HydrophobicContact CD1-CG 3.88Å; H868-R872 PolarHBondContact CE1-NE 3.05Å; H868-R872 PolarHBondContact NE2-NE 2.9Å; H868-R872 VanDerWaalsContact NE2-NE 3.18Å; H868-R872 WeakPolarHBondContact O-CG 3.46Å; H868-R872 PolarHBondContact O-N 2.88Å; F869-R872 PolarHBondContact O-N 3.23Å; R872-C875 PolarHBondContact O-N 2.98Å; R872-I876 WeakPolarHBondContact O-CG1 3.38Å; R872-I876 PolarHBondContact O-N 3Å; R872-I876 VanDerWaalsContact O-N 3.1Å
873	H	94.6	Very high	87.5	Confident	41 Å²	41	54.2 Å²	54.2	19%	0.19	27%	0.269	C	S	.	.	H	α-helix	trans	-62.9	-44.8	171.7	-59.7	0	0	0	0	111	L782 Y783 F869 H870 E871 I876 N877	L782-H873 HydrophobicContact CD2-CB 4.41Å; L782-H873 VanDerWaalsContact CD2-CD2 3.49Å; L782-H873 WeakPolarHBondContact CD2-CD2 3.06Å; Y783-H873 PolarHBondContact N-CE1 3.26Å; Y783-H873 PolarHBondContact N-ND1 2.92Å; Y783-H873 PolarHBondContact O-CE1 2.96Å; F869-H873 PolarHBondContact O-CE1 3.21Å; F869-H873 VanDerWaalsContact O-CE1 3.27Å; F869-H873 VanDerWaalsContact O-CG 3.24Å; F869-H873 PolarHBondContact O-N 2.95Å; F869-H873 PolarHBondContact O-ND1 3.42Å; H870-H873 WeakPolarHBondContact O-CB 3.32Å; H870-H873 PolarHBondContact O-N 3.5Å; E871-H873 VanDerWaalsContact C-N 3.28Å; E871-H873 PolarHBondContact O-N 3.38Å; H873-I876 PolarHBondContact O-N 3.41Å; H873-N877 PolarHBondContact O-N 2.93Å; H873-N877 VanDerWaalsContact O-N 3.17Å; H873-N877 PolarHBondContact O-ND2 2.97Å
874	K	95.3	Very high	88.7	Confident	88 Å²	88	51.3 Å²	51.3	38%	0.383	25%	0.25	S	C	.	.	H	α-helix	trans	-60.1	-47	176.2	-70.6	173.7	176.2	167.6	0	111.6	M820 H870 E871 I876 N877 F878	M820-K874 HydrophobicContact CE-CB 4.2Å; H870-K874 PolarHBondContact CD2-NZ 3.31Å; H870-K874 WeakPolarHBondContact NE2-CE 3.46Å; H870-K874 PolarHBondContact NE2-NZ 3.44Å; H870-K874 WeakPolarHBondContact O-CG 2.9Å; H870-K874 PolarHBondContact O-N 2.94Å; E871-K874 CarbonylContact O-C 3.44Å; E871-K874 WeakPolarHBondContact O-CA 3.35Å; E871-K874 WeakPolarHBondContact O-CB 3.4Å; E871-K874 PolarHBondContact O-N 2.85Å; K874-I876 PolarHBondContact O-N 2.9Å; K874-N877 PolarHBondContact O-N 3.1Å; K874-F878 WeakPolarHBondContact O-CB 3.43Å; K874-F878 PolarHBondContact O-N 3.21Å
875	C	96.6	Very high	90	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-55.4	-50.5	177.3	-65.5	0	0	0	0	112.1	M820 C827 E871 R872 N877 F878 F879	M820-C875 HydrophobicContact CE-CB 4.48Å; C827-C875 HydrophobicContact CB-CB 3.45Å; C827-C875 VanDerWaalsContact CB-CB 3.45Å; C827-C875 WeakPolarHBondContact CB-SG 3.44Å; C827-C875 WeakPolarHBondContact SG-CB 3.24Å; C827-C875 CovalentContact SG-SG 2.03Å; C827-C875 PolarHBondContact SG-SG 3.05Å; E871-C875 PolarHBondContact O-N 2.88Å; E871-C875 PolarHBondContact O-SG 3.07Å; R872-C875 PolarHBondContact O-N 2.98Å; C875-N877 VanDerWaalsContact C-N 3.34Å; C875-N877 PolarHBondContact O-N 3.47Å; C875-F878 PolarHBondContact O-N 2.99Å; C875-F879 HydrophobicContact CB-CE1 4.44Å; C875-F879 HydrophobicContact CB-CE2 4.03Å; C875-F879 HydrophobicContact CB-CZ 3.94Å; C875-F879 WeakPolarHBondContact O-CB 3.48Å; C875-F879 VanDerWaalsContact O-CD1 3.32Å; C875-F879 WeakPolarHBondContact O-CD1 3.25Å; C875-F879 WeakPolarHBondContact O-CD2 3.47Å; C875-F879 WeakPolarHBondContact O-CG 3.28Å; C875-F879 PolarHBondContact O-N 3.14Å
876	I	97.3	Very high	91.1	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-57.9	-47.5	179.3	-69.6	-180	0	0	0	110.9	H772 W781 Y783 M793 I830 F834 R872 H873 K874 F878 F879 V880 M886	H772-I876 HydrophobicContact CB-CD1 4.29Å; W781-I876 HydrophobicContact CB-CG2 3.49Å; W781-I876 VanDerWaalsContact CB-CG2 3.49Å; W781-I876 HydrophobicContact CG-CG2 4.25Å; Y783-I876 HydrophobicContact CD2-CD1 4.27Å; Y783-I876 HydrophobicContact CG-CD1 4.46Å; M793-I876 HydrophobicContact CE-CD1 4.37Å; I830-I876 HydrophobicContact CD1-CD1 4.43Å; I830-I876 HydrophobicContact CD1-CG1 4.16Å; I830-I876 HydrophobicContact CG2-CG1 3.87Å; F834-I876 HydrophobicContact CE2-CG1 4.43Å; F834-I876 HydrophobicContact CZ-CG2 4.1Å; R872-I876 WeakPolarHBondContact O-CG1 3.38Å; R872-I876 PolarHBondContact O-N 3Å; R872-I876 VanDerWaalsContact O-N 3.1Å; H873-I876 PolarHBondContact O-N 3.41Å; K874-I876 PolarHBondContact O-N 2.9Å; I876-F878 PolarHBondContact O-N 2.85Å; I876-F879 PolarHBondContact O-N 3.5Å; I876-V880 HydrophobicContact CG2-CG2 4.41Å; I876-V880 WeakPolarHBondContact O-CB 3.28Å; I876-V880 WeakPolarHBondContact O-CG2 3.45Å; I876-V880 PolarHBondContact O-N 2.99Å; I876-M886 HydrophobicContact CG2-CE 3.66Å
877	N	95.2	Very high	92.4	Very high	50 Å²	50	34.4 Å²	34.4	27%	0.267	16%	0.163	S	C	.	.	H	α-helix	trans	-66.1	-39	-179.1	-73.1	-71.5	0	0	0	112.5	W781 H873 K874 C875 K881	W781-N877 PolarHBondContact N-OD1 3.44Å; W781-N877 PolarHBondContact O-ND2 3.42Å; H873-N877 PolarHBondContact O-N 2.93Å; H873-N877 VanDerWaalsContact O-N 3.17Å; H873-N877 PolarHBondContact O-ND2 2.97Å; K874-N877 PolarHBondContact O-N 3.1Å; C875-N877 VanDerWaalsContact C-N 3.34Å; C875-N877 PolarHBondContact O-N 3.47Å; N877-K881 PolarHBondContact O-N 3.09Å
878	F	94.9	Very high	93.2	Very high	53 Å²	53	32.9 Å²	32.9	23%	0.232	15%	0.152	C	C	.	.	H	α-helix	trans	-66.2	-45.7	175.3	-179.3	-99.2	0	0	0	111.8	L324 A816 M820 K874 C875 I876 V880 K881 V882	L324-F878 HydrophobicContact CD2-CD2 4.45Å; L324-F878 HydrophobicContact CD2-CE2 3.83Å; L324-F878 HydrophobicContact CD2-CZ 4.48Å; A816-F878 HydrophobicContact CB-CE1 4.46Å; A816-F878 HydrophobicContact CB-CZ 4.23Å; M820-F878 HydrophobicContact CB-CD1 4.27Å; M820-F878 HydrophobicContact CB-CE1 4.14Å; M820-F878 HydrophobicContact CE-CB 3.54Å; M820-F878 HydrophobicContact CE-CD1 4.28Å; M820-F878 HydrophobicContact CE-CG 3.96Å; M820-F878 HydrophobicContact CG-CD1 4.27Å; M820-F878 HydrophobicContact SD-CB 3.42Å; M820-F878 WeakPolarHBondContact SD-CB 3.36Å; M820-F878 HydrophobicContact SD-CD1 3.1Å; M820-F878 WeakPolarHBondContact SD-CD1 3.34Å; M820-F878 HydrophobicContact SD-CD2 4.36Å; M820-F878 HydrophobicContact SD-CE1 3.89Å; M820-F878 HydrophobicContact SD-CG 3.38Å; M820-F878 WeakPolarHBondContact SD-CG 3.17Å; K874-F878 WeakPolarHBondContact O-CB 3.43Å; K874-F878 PolarHBondContact O-N 3.21Å; C875-F878 PolarHBondContact O-N 2.99Å; I876-F878 PolarHBondContact O-N 2.85Å; F878-V880 VanDerWaalsContact C-N 3.31Å; F878-V880 PolarHBondContact O-N 3.08Å; F878-K881 WeakPolarHBondContact O-CA 3.35Å; F878-K881 WeakPolarHBondContact O-CB 3.49Å; F878-K881 PolarHBondContact O-N 2.94Å; F878-V882 HydrophobicContact CD1-CG2 4.02Å; F878-V882 HydrophobicContact CE1-CG2 3.63Å; F878-V882 HydrophobicContact CE2-CG2 4.33Å; F878-V882 HydrophobicContact CZ-CG2 3.8Å; F878-V882 WeakPolarHBondContact O-CG2 3.3Å; F878-V882 PolarHBondContact O-N 3.35Å
879	F	95.6	Very high	94	Very high	1 Å²	1	34.7 Å²	34.7	0%	0.004	16%	0.162	C	C	.	.	H	α-helix	trans	-61	-41.8	177.3	-60.3	-12.4	0	0	0	111	I817 M820 V821 C827 I830 A831 F834 C875 I876 K881 V882 Y883	I817-F879 HydrophobicContact CB-CD1 4.35Å; I817-F879 HydrophobicContact CB-CE1 4.27Å; I817-F879 HydrophobicContact CG1-CD1 3.93Å; I817-F879 HydrophobicContact CG1-CE1 4.33Å; I817-F879 HydrophobicContact CG2-CD1 3.89Å; I817-F879 HydrophobicContact CG2-CE1 3.59Å; I817-F879 HydrophobicContact CG2-CZ 3.94Å; M820-F879 HydrophobicContact CB-CE1 4.46Å; M820-F879 HydrophobicContact SD-CD1 4.32Å; M820-F879 HydrophobicContact SD-CE1 3.79Å; V821-F879 HydrophobicContact CG2-CZ 4.25Å; C827-F879 HydrophobicContact CB-CE2 4.23Å; C827-F879 HydrophobicContact CB-CZ 4.1Å; I830-F879 HydrophobicContact CB-CE2 4.18Å; I830-F879 HydrophobicContact CG2-CD2 3.87Å; I830-F879 HydrophobicContact CG2-CE2 3.86Å; A831-F879 HydrophobicContact CB-CE2 3.86Å; A831-F879 HydrophobicContact CB-CZ 4.09Å; F834-F879 HydrophobicContact CD1-CB 3.67Å; F834-F879 HydrophobicContact CD1-CD2 4.49Å; F834-F879 HydrophobicContact CD2-CD2 4.28Å; F834-F879 HydrophobicContact CE1-CB 3.51Å; F834-F879 HydrophobicContact CE2-CD2 4.4Å; F834-F879 HydrophobicContact CG-CB 4.32Å; F834-F879 HydrophobicContact CG-CD2 4.32Å; F834-F879 HydrophobicContact CZ-CB 4.03Å; C875-F879 HydrophobicContact CB-CE1 4.44Å; C875-F879 HydrophobicContact CB-CE2 4.03Å; C875-F879 HydrophobicContact CB-CZ 3.94Å; C875-F879 WeakPolarHBondContact O-CB 3.48Å; C875-F879 VanDerWaalsContact O-CD1 3.32Å; C875-F879 WeakPolarHBondContact O-CD1 3.25Å; C875-F879 WeakPolarHBondContact O-CD2 3.47Å; C875-F879 WeakPolarHBondContact O-CG 3.28Å; C875-F879 PolarHBondContact O-N 3.14Å; I876-F879 PolarHBondContact O-N 3.5Å; F879-K881 VanDerWaalsContact C-N 3.27Å; F879-K881 PolarHBondContact O-N 3.42Å; F879-V882 PolarHBondContact O-N 2.99Å; F879-Y883 VanDerWaalsContact O-CD2 3.3Å; F879-Y883 WeakPolarHBondContact O-CD2 3.18Å; F879-Y883 PolarHBondContact O-N 3.45Å
880	V	94.7	Very high	94.5	Very high	23 Å²	23	34.9 Å²	34.9	14%	0.139	16%	0.161	C	C	.	.	H	α-helix	trans	-58.2	-40.7	173.4	168.8	0	0	0	0	111.4	F834 I876 F878 G884 Y885 M886	F834-V880 HydrophobicContact CE1-CG2 3.96Å; F834-V880 HydrophobicContact CZ-CG2 4.03Å; I876-V880 HydrophobicContact CG2-CG2 4.41Å; I876-V880 WeakPolarHBondContact O-CB 3.28Å; I876-V880 WeakPolarHBondContact O-CG2 3.45Å; I876-V880 PolarHBondContact O-N 2.99Å; F878-V880 VanDerWaalsContact C-N 3.31Å; F878-V880 PolarHBondContact O-N 3.08Å; V880-G884 CarbonylContact O-C 3.33Å; V880-G884 WeakPolarHBondContact O-CA 3.4Å; V880-G884 PolarHBondContact O-N 3.34Å; V880-Y885 PolarHBondContact O-N 2.84Å; V880-Y885 VanDerWaalsContact O-N 3.14Å; V880-M886 HydrophobicContact CG2-CB 4.33Å; V880-M886 HydrophobicContact CG2-CE 3.33Å; V880-M886 HydrophobicContact CG2-SD 3.93Å
881	K	92.4	Very high	94.9	Very high	108 Å²	108	30.8 Å²	30.8	47%	0.47	14%	0.143	S	C	.	.	H	α-helix	trans	-64.7	-46.9	176.4	-172.2	177.5	177.2	-174.5	0	111.5	L324 N877 F878 F879 G884	L324-K881 HydrophobicContact CD2-CD 3.72Å; L324-K881 HydrophobicContact CD2-CG 4.12Å; L324-K881 VanDerWaalsContact O-CE 3.26Å; L324-K881 WeakPolarHBondContact O-CE 3.43Å; N877-K881 PolarHBondContact O-N 3.09Å; F878-K881 WeakPolarHBondContact O-CA 3.35Å; F878-K881 WeakPolarHBondContact O-CB 3.49Å; F878-K881 PolarHBondContact O-N 2.94Å; F879-K881 VanDerWaalsContact C-N 3.27Å; F879-K881 PolarHBondContact O-N 3.42Å; K881-G884 PolarHBondContact O-N 2.88Å
882	V	92.3	Very high	94.9	Very high	3 Å²	3	36.1 Å²	36.1	2%	0.018	17%	0.168	C	C	.	.	H	α-helix	trans	-63.6	-45.2	179.6	175.7	0	0	0	0	111.9	F323 L324 P814 I817 F878 F879 G884	F323-V882 HydrophobicContact CB-CG1 4.35Å; L324-V882 HydrophobicContact CD2-CG2 4.49Å; P814-V882 HydrophobicContact CB-CG1 3.97Å; P814-V882 HydrophobicContact CG-CG1 3.98Å; I817-V882 HydrophobicContact CD1-CB 4.31Å; I817-V882 HydrophobicContact CD1-CG1 3.88Å; I817-V882 HydrophobicContact CG1-CB 4.32Å; I817-V882 HydrophobicContact CG1-CG1 4.04Å; I817-V882 HydrophobicContact CG1-CG2 4.42Å; F878-V882 HydrophobicContact CD1-CG2 4.02Å; F878-V882 HydrophobicContact CE1-CG2 3.63Å; F878-V882 HydrophobicContact CE2-CG2 4.33Å; F878-V882 HydrophobicContact CZ-CG2 3.8Å; F878-V882 WeakPolarHBondContact O-CG2 3.3Å; F878-V882 PolarHBondContact O-N 3.35Å; F879-V882 PolarHBondContact O-N 2.99Å; V882-G884 VanDerWaalsContact C-N 3.27Å; V882-G884 PolarHBondContact O-N 3.47Å
883	Y	91.4	Very high	94.8	Very high	17 Å²	17	40.4 Å²	40.4	7%	0.067	19%	0.187	C	C	.	.	H	α-helix	trans	-74.1	-17.8	176.1	-78.7	-73.9	0	0	0	113.1	I817 F834 H838 F879 Y885 P887	I817-Y883 HydrophobicContact CD1-CD2 4.14Å; I817-Y883 HydrophobicContact CD1-CE2 3.54Å; F834-Y883 HydrophobicContact CB-CE2 3.97Å; F834-Y883 AromaticContact CD1-CD2 3.75Å; F834-Y883 HydrophobicContact CD1-CD2 3.75Å; F834-Y883 AromaticContact CD1-CE2 3.89Å; F834-Y883 HydrophobicContact CD1-CE2 3.89Å; F834-Y883 HydrophobicContact CE1-CD2 4.5Å; F834-Y883 HydrophobicContact CG-CE2 4.43Å; H838-Y883 HydrophobicContact CB-CD1 4.45Å; H838-Y883 HydrophobicContact CB-CE1 4Å; H838-Y883 AromaticContact CE1-CD1 3.67Å; H838-Y883 AromaticContact CG-CD1 3.86Å; H838-Y883 AromaticContact CG-CE1 3.61Å; H838-Y883 AromaticContact ND1-CD1 3.34Å; H838-Y883 VanDerWaalsContact ND1-CD1 3.34Å; H838-Y883 WeakPolarHBondContact ND1-CD1 3.32Å; H838-Y883 AromaticContact ND1-CE1 3.61Å; F879-Y883 VanDerWaalsContact O-CD2 3.3Å; F879-Y883 WeakPolarHBondContact O-CD2 3.18Å; F879-Y883 PolarHBondContact O-N 3.45Å; Y883-Y885 VanDerWaalsContact C-N 3.25Å; Y883-Y885 WeakPolarHBondContact O-CD1 3.33Å; Y883-Y885 PolarHBondContact O-N 3.29Å; Y883-P887 HydrophobicContact CD1-CG 4.4Å; Y883-P887 HydrophobicContact CD2-CG 4.03Å; Y883-P887 HydrophobicContact CG-CG 3.9Å
884	G	91.7	Very high	94.6	Very high	5 Å²	5	43.5 Å²	43.5	5%	0.052	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	3.4	-175	0	0	0	0	0	114.9	P328 Q329 V880 K881 V882	P328-G884 CarbonylContact C-O 3.44Å; P328-G884 VanDerWaalsContact CA-O 3.31Å; P328-G884 WeakPolarHBondContact CA-O 3.32Å; Q329-G884 PolarHBondContact N-O 3.4Å; V880-G884 CarbonylContact O-C 3.33Å; V880-G884 WeakPolarHBondContact O-CA 3.4Å; V880-G884 PolarHBondContact O-N 3.34Å; K881-G884 PolarHBondContact O-N 2.88Å; V882-G884 VanDerWaalsContact C-N 3.27Å; V882-G884 PolarHBondContact O-N 3.47Å
885	Y	93.6	Very high	94.4	Very high	11 Å²	11	40.9 Å²	40.9	4%	0.043	19%	0.189	C	C	.	.	S	Bend	trans	-163.7	170.5	176.5	75.9	-72.8	0	0	0	110.8	H838 R841 V880 Y883 P887	H838-Y885 AromaticContact CE1-CE1 3.87Å; H838-Y885 AromaticContact ND1-CE1 3.58Å; H838-Y885 AromaticContact ND1-CZ 3.62Å; H838-Y885 PolarHBondContact ND1-OH 2.83Å; R841-Y885 PolarHBondContact NH1-OH 2.95Å; V880-Y885 PolarHBondContact O-N 2.84Å; V880-Y885 VanDerWaalsContact O-N 3.14Å; Y883-Y885 VanDerWaalsContact C-N 3.25Å; Y883-Y885 WeakPolarHBondContact O-CD1 3.33Å; Y883-Y885 PolarHBondContact O-N 3.29Å; Y885-P887 HydrophobicContact CE1-CG 4.41Å; Y885-P887 HydrophobicContact CE2-CB 4.09Å; Y885-P887 HydrophobicContact CE2-CG 4.32Å; Y885-P887 WeakPolarHBondContact O-CD 3.4Å
886	M	96.1	Very high	94	Very high	26 Å²	26	42.8 Å²	42.8	13%	0.128	20%	0.199	C	C	.	.			trans	-81.2	108	171.5	178.5	56	76.1	0	0	110.9	H772 W781 F834 I876 V880 L888	H772-M886 HydrophobicContact CB-CE 4.42Å; W781-M886 HydrophobicContact CB-CE 3.97Å; W781-M886 HydrophobicContact CD2-CE 3.36Å; W781-M886 HydrophobicContact CE3-CE 3.94Å; W781-M886 HydrophobicContact CG-CE 3.37Å; W781-M886 HydrophobicContact CZ2-CB 4.09Å; W781-M886 HydrophobicContact CZ2-CE 4.37Å; W781-M886 HydrophobicContact CZ2-CG 4.39Å; F834-M886 HydrophobicContact CE1-SD 4.21Å; F834-M886 HydrophobicContact CE2-SD 4.38Å; F834-M886 HydrophobicContact CZ-CE 4.24Å; F834-M886 HydrophobicContact CZ-SD 3.7Å; I876-M886 HydrophobicContact CG2-CE 3.66Å; V880-M886 HydrophobicContact CG2-CB 4.33Å; V880-M886 HydrophobicContact CG2-CE 3.33Å; V880-M886 HydrophobicContact CG2-SD 3.93Å; M886-L888 HydrophobicContact CG-CB 4.4Å; M886-L888 HydrophobicContact SD-CB 3.83Å; M886-L888 HydrophobicContact SD-CD1 4.13Å; M886-L888 HydrophobicContact SD-CG 3.99Å
887	P	96.4	Very high	93.4	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	20%	0.204	C	C	.	.			trans	-79.6	-27.9	-177.6	-14.9	34.1	0	0	0	112.8	F834 H838 R841 Y883 Y885	F834-P887 VanDerWaalsContact CD1-CD 3.41Å; F834-P887 HydrophobicContact CD1-CG 3.65Å; F834-P887 HydrophobicContact CE1-CG 4.06Å; F834-P887 HydrophobicContact CG-CG 4.47Å; H838-P887 HydrophobicContact CB-CB 3.9Å; H838-P887 HydrophobicContact CB-CG 4.46Å; R841-P887 PolarHBondContact NH1-O 2.92Å; Y883-P887 HydrophobicContact CD1-CG 4.4Å; Y883-P887 HydrophobicContact CD2-CG 4.03Å; Y883-P887 HydrophobicContact CG-CG 3.9Å; Y885-P887 HydrophobicContact CE1-CG 4.41Å; Y885-P887 HydrophobicContact CE2-CB 4.09Å; Y885-P887 HydrophobicContact CE2-CG 4.32Å; Y885-P887 WeakPolarHBondContact O-CD 3.4Å
888	L	98	Very high	92.8	Very high	5 Å²	5	47.9 Å²	47.9	3%	0.026	23%	0.232	C	C	.	.			trans	-60.4	141.7	-179.4	-62.4	-177.7	0	0	0	111.2	H772 M793 N833 F834 M886	H772-L888 HydrophobicContact CB-CD1 4.29Å; M793-L888 HydrophobicContact CE-CD1 4.02Å; M793-L888 HydrophobicContact CG-CD1 3.63Å; M793-L888 HydrophobicContact CG-CD2 3.94Å; M793-L888 HydrophobicContact CG-CG 4.43Å; M793-L888 HydrophobicContact SD-CD1 3.59Å; M793-L888 VanDerWaalsContact SD-CD1 3.59Å; N833-L888 HydrophobicContact CB-CD2 3.88Å; F834-L888 HydrophobicContact CD2-CD1 3.83Å; F834-L888 HydrophobicContact CD2-CD2 3.71Å; F834-L888 HydrophobicContact CD2-CG 3.64Å; F834-L888 HydrophobicContact CE2-CD1 3.36Å; F834-L888 HydrophobicContact CE2-CD2 4.12Å; F834-L888 HydrophobicContact CE2-CG 3.54Å; F834-L888 HydrophobicContact CG-CD2 4.37Å; F834-L888 HydrophobicContact CG-CG 4.39Å; F834-L888 HydrophobicContact CZ-CD1 4.16Å; F834-L888 HydrophobicContact CZ-CG 4.18Å; M886-L888 HydrophobicContact CG-CB 4.4Å; M886-L888 HydrophobicContact SD-CB 3.83Å; M886-L888 HydrophobicContact SD-CD1 4.13Å; M886-L888 HydrophobicContact SD-CG 3.99Å
889	L	96.9	Very high	92.1	Very high	52 Å²	52	48.1 Å²	48.1	27%	0.272	24%	0.236	S	C	.	.			trans	-121.9	138.5	179.2	-65	175.3	0	0	0	109.5	S792 R841 P843	S792-L889 VanDerWaalsContact CA-O 3.28Å; S792-L889 WeakPolarHBondContact CA-O 3.39Å; S792-L889 WeakPolarHBondContact CB-O 3.33Å; R841-L889 WeakPolarHBondContact O-CD1 3.47Å; P843-L889 HydrophobicContact CB-CB 4.1Å; P843-L889 WeakPolarHBondContact CB-O 3.41Å
890	Y	96.8	Very high	91.3	Very high	87 Å²	87	50.7 Å²	50.7	34%	0.341	25%	0.247	S	C	.	.			trans	-70.9	148.9	172.5	-63.8	-77.2	0	0	0	111.2	H772 E790 L791	H772-Y890 AromaticContact CD2-CZ 3.83Å; H772-Y890 PolarHBondContact CD2-OH 3.36Å; H772-Y890 AromaticContact CE1-CE2 3.82Å; H772-Y890 AromaticContact CE1-CZ 3.68Å; H772-Y890 AromaticContact NE2-CE2 3.5Å; H772-Y890 AromaticContact NE2-CZ 3.43Å; H772-Y890 PolarHBondContact NE2-OH 3.08Å; H772-Y890 VanDerWaalsContact O-CE1 3.23Å; H772-Y890 WeakPolarHBondContact O-CE1 3.43Å; H772-Y890 PolarHBondContact O-OH 3.44Å; E790-Y890 HydrophobicContact CB-CD1 4.35Å; E790-Y890 HydrophobicContact CG-CD1 3.85Å; E790-Y890 HydrophobicContact CG-CE1 4.36Å; L791-Y890 CarbonylContact O-C 3.1Å; L791-Y890 WeakPolarHBondContact O-CA 3.48Å
891	T	95.6	Very high	90.3	Very high	20 Å²	20	57.8 Å²	57.8	12%	0.123	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-147.3	143.4	171.9	-173.9	0	0	0	0	110	E790 L791 P843 F893	E790-T891 WeakPolarHBondContact CA-O 3.29Å; L791-T891 HydrophobicContact CD1-CG2 3.5Å; L791-T891 VanDerWaalsContact CD1-CG2 3.5Å; L791-T891 HydrophobicContact CD2-CG2 4.38Å; L791-T891 HydrophobicContact CG-CG2 3.63Å; L791-T891 PolarHBondContact N-O 2.98Å; L791-T891 PolarHBondContact O-N 3.08Å; P843-T891 HydrophobicContact CB-CG2 3.76Å; P843-T891 HydrophobicContact CG-CG2 4.21Å; T891-F893 WeakPolarHBondContact OG1-CB 3.38Å; T891-F893 PolarHBondContact OG1-N 2.97Å
892	Q	93.6	Very high	89.8	Confident	153 Å²	153	55.4 Å²	55.4	72%	0.715	27%	0.27	S	S	*	.			trans	-104.7	6.9	169.7	-56.2	179.7	-11	0	0	110.4	C789 E790 R894	C789-Q892 WeakPolarHBondContact O-CG 3.27Å; E790-Q892 HydrophobicContact CB-CG 4.11Å; Q892-R894 PolarHBondContact O-N 3.34Å
893	F	91.3	Very high	89.2	Confident	106 Å²	106	66.9 Å²	66.9	47%	0.465	31%	0.313	S	S	.	.			trans	-80.5	120.2	-173.6	-171.8	-106.3	0	0	0	111.2	I845 T891 V895	I845-F893 HydrophobicContact CG2-CD1 4.23Å; I845-F893 HydrophobicContact CG2-CE1 4.19Å; T891-F893 WeakPolarHBondContact OG1-CB 3.38Å; T891-F893 PolarHBondContact OG1-N 2.97Å; F893-V895 HydrophobicContact CD1-CG2 4.06Å; F893-V895 HydrophobicContact CE1-CG2 3.25Å; F893-V895 HydrophobicContact CZ-CG2 3.68Å
894	R	89.9	Confident	88.7	Confident	106 Å²	106	68.8 Å²	68.8	40%	0.4	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	139.6	170	-174.8	-179.9	87.5	-154.6	-0.7	109.2	K846 T848 Q892 D896	K846-R894 WeakPolarHBondContact O-CA 3.24Å; T848-R894 WeakPolarHBondContact O-CD 3.5Å; Q892-R894 PolarHBondContact O-N 3.34Å; R894-D896 IonicContact CZ-OD1 3.49Å; R894-D896 IonicContact CZ-OD2 3.42Å; R894-D896 VanDerWaalsContact CZ-OD2 3.27Å; R894-D896 IonicContact NE-OD1 2.74Å; R894-D896 PolarHBondContact NE-OD1 2.95Å; R894-D896 IonicContact NE-OD2 3.86Å; R894-D896 PolarHBondContact NE-OD2 3.4Å; R894-D896 IonicContact NH2-OD1 3.73Å; R894-D896 IonicContact NH2-OD2 3.05Å; R894-D896 PolarHBondContact NH2-OD2 3.46Å
895	V	92.1	Very high	88.1	Confident	33 Å²	33	72.4 Å²	72.4	20%	0.2	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	124.7	174.1	-171.6	0	0	0	0	109.4	F752 V756 I845 K846 V847 F893	F752-V895 WeakPolarHBondContact CE1-O 3.47Å; F752-V895 HydrophobicContact CZ-CG1 4.04Å; V756-V895 HydrophobicContact CG1-CB 4.29Å; V756-V895 HydrophobicContact CG1-CG1 4.28Å; V756-V895 HydrophobicContact CG1-CG2 4.26Å; V756-V895 HydrophobicContact CG2-CB 4.41Å; V756-V895 HydrophobicContact CG2-CG1 3.82Å; I845-V895 HydrophobicContact CG2-CB 4.38Å; I845-V895 HydrophobicContact CG2-CG2 3.56Å; K846-V895 PolarHBondContact O-N 3.35Å; V847-V895 HydrophobicContact CG1-CB 4.47Å; F893-V895 HydrophobicContact CD1-CG2 4.06Å; F893-V895 HydrophobicContact CE1-CG2 3.25Å; F893-V895 HydrophobicContact CZ-CG2 3.68Å
896	D	88.4	Confident	87.4	Confident	40 Å²	40	81.9 Å²	81.9	21%	0.214	39%	0.391	C	S	.	.			trans	-118	163.2	168.7	-60.7	-43.2	0	0	0	108.9	F752 R894 F900	F752-D896 VanDerWaalsContact CZ-C 3.4Å; R894-D896 IonicContact CZ-OD1 3.49Å; R894-D896 IonicContact CZ-OD2 3.42Å; R894-D896 VanDerWaalsContact CZ-OD2 3.27Å; R894-D896 IonicContact NE-OD1 2.74Å; R894-D896 PolarHBondContact NE-OD1 2.95Å; R894-D896 IonicContact NE-OD2 3.86Å; R894-D896 PolarHBondContact NE-OD2 3.4Å; R894-D896 IonicContact NH2-OD1 3.73Å; R894-D896 IonicContact NH2-OD2 3.05Å; R894-D896 PolarHBondContact NH2-OD2 3.46Å; D896-F900 HydrophobicContact CB-CB 3.87Å; D896-F900 HydrophobicContact CB-CD1 3.6Å; D896-F900 HydrophobicContact CB-CE1 4.3Å; D896-F900 HydrophobicContact CB-CG 3.87Å; D896-F900 WeakPolarHBondContact OD2-CD1 3.42Å; D896-F900 WeakPolarHBondContact OD2-CE1 3.5Å
897	S	83.4	Confident	86.5	Confident	15 Å²	15	86 Å²	86	11%	0.105	41%	0.414	C	S	.	.			trans	-56.7	143.6	172.7	174.5	0	0	0	0	111.1	L899 F900	S897-L899 PolarHBondContact O-N 3.47Å; S897-L899 VanDerWaalsContact O-N 3.07Å; S897-F900 WeakPolarHBondContact O-CB 3.15Å; S897-F900 PolarHBondContact O-N 2.84Å
898	V	83.1	Confident	85.4	Confident	142 Å²	142	91.7 Å²	91.7	86%	0.861	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-34	-175.9	177	0	0	0	0	113
899	L	79.8	Confident	84.3	Confident	58 Å²	58	95.1 Å²	95.1	30%	0.304	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	20.5	179.4	-57.6	177.4	0	0	0	112.7	S897 K901 T902 L904 K910	S897-L899 PolarHBondContact O-N 3.47Å; S897-L899 VanDerWaalsContact O-N 3.07Å; L899-K901 PolarHBondContact O-N 2.97Å; L899-T902 WeakPolarHBondContact CA-OG1 3.38Å; L899-T902 HydrophobicContact CD2-CG2 4.43Å; L899-T902 WeakPolarHBondContact O-CB 3.21Å; L899-T902 PolarHBondContact O-N 3.45Å; L899-T902 PolarHBondContact O-OG1 3.04Å; L899-L904 HydrophobicContact CD1-CD1 4.04Å; L899-L904 HydrophobicContact CD1-CD2 4.39Å; L899-K910 HydrophobicContact CB-CG 4.34Å; L899-K910 WeakPolarHBondContact O-CE 3.4Å; L899-K910 PolarHBondContact O-NZ 2.97Å
900	F	78.9	Confident	83.3	Confident	55 Å²	55	95 Å²	95	24%	0.241	46%	0.457	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	130.1	176.1	176.8	-128.4	0	0	0	110.5	D896 S897 T902 I915	D896-F900 HydrophobicContact CB-CB 3.87Å; D896-F900 HydrophobicContact CB-CD1 3.6Å; D896-F900 HydrophobicContact CB-CE1 4.3Å; D896-F900 HydrophobicContact CB-CG 3.87Å; D896-F900 WeakPolarHBondContact OD2-CD1 3.42Å; D896-F900 WeakPolarHBondContact OD2-CE1 3.5Å; S897-F900 WeakPolarHBondContact O-CB 3.15Å; S897-F900 PolarHBondContact O-N 2.84Å; F900-T902 PolarHBondContact O-N 3.37Å; F900-T902 PolarHBondContact O-OG1 2.99Å; F900-I915 WeakPolarHBondContact CD2-O 3.43Å; F900-I915 WeakPolarHBondContact CE2-O 3.19Å
901	K	75.2	Confident	82.1	Confident	172 Å²	172	91.8 Å²	91.8	75%	0.748	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	0.9	-174.3	-65.5	-178.5	174.6	-179.5	0	116.6	L899	L899-K901 PolarHBondContact O-N 2.97Å
902	T	80.6	Confident	81	Confident	58 Å²	58	91.5 Å²	91.5	36%	0.356	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-68.1	130.9	172.9	-46.7	0	0	0	0	110.3	L899 F900 L904 K910	L899-T902 WeakPolarHBondContact CA-OG1 3.38Å; L899-T902 HydrophobicContact CD2-CG2 4.43Å; L899-T902 WeakPolarHBondContact O-CB 3.21Å; L899-T902 PolarHBondContact O-N 3.45Å; L899-T902 PolarHBondContact O-OG1 3.04Å; F900-T902 PolarHBondContact O-N 3.37Å; F900-T902 PolarHBondContact O-OG1 2.99Å; T902-L904 HydrophobicContact CG2-CD2 4.22Å; T902-K910 WeakPolarHBondContact O-CE 3.4Å; T902-K910 PolarHBondContact O-NZ 3.07Å
903	R	80.6	Confident	79.5	Confident	243 Å²	243	88.7 Å²	88.7	92%	0.917	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-81.8	121.4	170.2	-66.3	-178.2	-178.4	174.4	-0.1	108.2
904	L	79.6	Confident	78	Confident	58 Å²	58	90 Å²	90	30%	0.304	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-100.7	150	174.6	-65.2	-176.8	0	0	0	109.8	L899 T902 K908 K910	L899-L904 HydrophobicContact CD1-CD1 4.04Å; L899-L904 HydrophobicContact CD1-CD2 4.39Å; T902-L904 HydrophobicContact CG2-CD2 4.22Å; L904-K908 HydrophobicContact CB-CB 4.11Å; L904-K908 HydrophobicContact CD1-CB 4.13Å; L904-K910 HydrophobicContact CD1-CB 4.43Å; L904-K910 HydrophobicContact CD1-CG 3.49Å; L904-K910 VanDerWaalsContact CD1-CG 3.49Å; L904-K910 HydrophobicContact CG-CG 4.23Å
905	P	81	Confident	76.4	Confident	81 Å²	81	86.1 Å²	86.1	53%	0.526	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-64.7	159.9	169.6	-3.5	17.2	0	0	0	111	D907 K908	P905-D907 WeakPolarHBondContact CB-OD1 3.34Å; P905-D907 PolarHBondContact O-N 3.37Å; P905-D907 VanDerWaalsContact O-N 3.08Å; P905-K908 PolarHBondContact O-N 3.3Å
906	H	77.7	Confident	75.6	Confident	210 Å²	210	88.8 Å²	88.8	97%	0.972	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-19.3	-171.7	-68.8	-71.8	0	0	0	114.9	K908	H906-K908 VanDerWaalsContact C-N 3.34Å
907	D	77.6	Confident	74.9	Confident	113 Å²	113	91.4 Å²	91.4	60%	0.604	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-4.4	177.5	72.4	-53.8	0	0	0	113.6	P905	P905-D907 WeakPolarHBondContact CB-OD1 3.34Å; P905-D907 PolarHBondContact O-N 3.37Å; P905-D907 VanDerWaalsContact O-N 3.08Å
908	K	73.8	Confident	74.5	Confident	119 Å²	119	95.6 Å²	95.6	52%	0.517	46%	0.464	S	S	.	.			trans	-116.4	142.6	-178	-57.8	-55.7	-178.4	-153.8	0	111.5	L904 P905 H906	L904-K908 HydrophobicContact CB-CB 4.11Å; L904-K908 HydrophobicContact CD1-CB 4.13Å; P905-K908 PolarHBondContact O-N 3.3Å; H906-K908 VanDerWaalsContact C-N 3.34Å
909	T	75	Confident	74	Confident	77 Å²	77	92.9 Å²	92.9	47%	0.472	44%	0.441	S	S	.	.			trans	-113.8	142.6	177.1	54.2	0	0	0	0	111.2
910	K	74.9	Confident	73.6	Confident	48 Å²	48	95.1 Å²	95.1	21%	0.209	45%	0.449	C	S	.	.			trans	-79.9	147.1	169.6	-62.9	-174.4	-177.8	-162.5	0	109.9	Q647 L899 T902 L904 F912	Q647-K910 PolarHBondContact NE2-O 3.45Å; L899-K910 HydrophobicContact CB-CG 4.34Å; L899-K910 WeakPolarHBondContact O-CE 3.4Å; L899-K910 PolarHBondContact O-NZ 2.97Å; T902-K910 WeakPolarHBondContact O-CE 3.4Å; T902-K910 PolarHBondContact O-NZ 3.07Å; L904-K910 HydrophobicContact CD1-CB 4.43Å; L904-K910 HydrophobicContact CD1-CG 3.49Å; L904-K910 VanDerWaalsContact CD1-CG 3.49Å; L904-K910 HydrophobicContact CG-CG 4.23Å; K910-F912 WeakPolarHBondContact CB-O 3.49Å; K910-F912 PolarHBondContact O-N 3.44Å
911	C	70.9	Confident	73.2	Confident	20 Å²	20	97.7 Å²	97.7	14%	0.135	46%	0.463	C	S	.	.	S	Bend	trans	-63.2	-32.9	171.1	-47.6	0	0	0	0	112.1	F646 Q647	F646-C911 HydrophobicContact CD1-CB 3.75Å; F646-C911 WeakPolarHBondContact CD1-SG 3.08Å; F646-C911 HydrophobicContact CE1-CB 4.32Å; Q647-C911 PolarHBondContact NE2-O 3.43Å
912	F	72.4	Confident	73.1	Confident	15 Å²	15	92.4 Å²	92.4	7%	0.066	44%	0.443	C	S	.	.			trans	-132.6	121.2	177.2	-60.7	-76.5	0	0	0	108.5	L571 D748 F752 K910 I915	L571-F912 HydrophobicContact CD2-CD1 4.41Å; L571-F912 HydrophobicContact CD2-CE1 4.18Å; D748-F912 HydrophobicContact CB-CD1 4.24Å; F752-F912 HydrophobicContact CB-CE1 4.09Å; F752-F912 HydrophobicContact CB-CE2 4.42Å; F752-F912 HydrophobicContact CB-CZ 3.98Å; F752-F912 HydrophobicContact CD2-CD2 4.28Å; F752-F912 AromaticContact CD2-CE2 3.88Å; F752-F912 HydrophobicContact CD2-CE2 3.88Å; F752-F912 HydrophobicContact CD2-CZ 4.24Å; K910-F912 WeakPolarHBondContact CB-O 3.49Å; K910-F912 PolarHBondContact O-N 3.44Å; F912-I915 HydrophobicContact CB-CB 4.29Å; F912-I915 HydrophobicContact CB-CD1 3.61Å; F912-I915 HydrophobicContact CB-CG1 3.85Å; F912-I915 HydrophobicContact CD1-CD1 3.35Å; F912-I915 HydrophobicContact CD1-CG1 4.29Å; F912-I915 HydrophobicContact CD2-CD1 4.11Å; F912-I915 HydrophobicContact CE1-CD1 3.97Å; F912-I915 HydrophobicContact CG-CD1 3.42Å; F912-I915 VanDerWaalsContact CG-CD1 3.42Å; F912-I915 HydrophobicContact CG-CG1 4.23Å
913	K	63.5	Low	72.5	Confident	93 Å²	93	95.1 Å²	95.1	40%	0.404	45%	0.449	S	S	.	.	S	Bend	trans	-79.9	-36.2	179.5	-73.2	167.2	-173.2	166.6	0	112	D568 L569	D568-K913 VanDerWaalsContact CB-NZ 3.32Å; D568-K913 PolarHBondContact O-NZ 2.82Å; L569-K913 HydrophobicContact CD1-CB 4.07Å; L569-K913 HydrophobicContact CD1-CD 4.3Å; L569-K913 HydrophobicContact CD1-CG 4.37Å; L569-K913 HydrophobicContact CD2-CB 4.41Å; L569-K913 HydrophobicContact CD2-CD 3.87Å; L569-K913 HydrophobicContact CD2-CG 3.88Å; L569-K913 HydrophobicContact CG-CD 3.95Å; L569-K913 HydrophobicContact CG-CG 4.32Å
914	F	59.9	Low	71.9	Confident	134 Å²	134	82.8 Å²	82.8	59%	0.588	41%	0.41	S	S	*	.			trans	-128.9	44.5	-165.7	-55.8	-71.7	0	0	0	113.8	L569 R746	L569-F914 HydrophobicContact CD1-CD2 4.49Å; R746-F914 PolarHBondContact NH2-O 3.42Å
915	I	55.9	Low	71.2	Confident	25 Å²	25	85 Å²	85	13%	0.128	42%	0.42	C	S	.	.			trans	-108.4	0	171.4	-63.1	-174.9	0	0	0	108.2	F752 T848 F900 F912	F752-I915 HydrophobicContact CB-CD1 3.36Å; F752-I915 HydrophobicContact CD1-CD1 4.11Å; F752-I915 HydrophobicContact CD1-CG2 4Å; F752-I915 HydrophobicContact CD2-CD1 4.24Å; F752-I915 HydrophobicContact CE1-CG2 4.16Å; F752-I915 HydrophobicContact CG-CD1 3.65Å; F752-I915 HydrophobicContact CG-CG2 4.46Å; T848-I915 HydrophobicContact CG2-CG2 3.8Å; F900-I915 WeakPolarHBondContact CD2-O 3.43Å; F900-I915 WeakPolarHBondContact CE2-O 3.19Å; F912-I915 HydrophobicContact CB-CB 4.29Å; F912-I915 HydrophobicContact CB-CD1 3.61Å; F912-I915 HydrophobicContact CB-CG1 3.85Å; F912-I915 HydrophobicContact CD1-CD1 3.35Å; F912-I915 HydrophobicContact CD1-CG1 4.29Å; F912-I915 HydrophobicContact CD2-CD1 4.11Å; F912-I915 HydrophobicContact CE1-CD1 3.97Å; F912-I915 HydrophobicContact CG-CD1 3.42Å; F912-I915 VanDerWaalsContact CG-CD1 3.42Å; F912-I915 HydrophobicContact CG-CG1 4.23Å

Retrieved 915 of 915 residues in 593.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).