A0A087XGJ9_POEFO Loading...

Exostosin-2

Glycosyltransferase forming with EXT1 the heterodimeric heparan sulfate polymerase which catalyzes the elongation of the heparan sulfate glycan backbone. Glycan backbone extension consists in the alternating transfer of (1->4)-beta-D-GlcA and (1->4)-alpha-D-GlcNAc residues from their respective UDP-sugar donors. Both EXT1 and EXT2 are required for the full activity of the polymerase since EXT1 bears the N-acetylglucosaminyl-proteoglycan 4-beta-glucuronosyltransferase activity within the complex while EXT2 carries the glucuronosyl-N-acetylglucosaminyl-proteoglycan 4-alpha-N-acetylglucosaminyltransferase activity. Heparan sulfate proteoglycans are ubiquitous components of the extracellular matrix and play an important role in tissue homeostasis and signaling.

AlphaFold DB , UniProt , Accession A0A087XGJ9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 724 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	R	36.4	Very low	32.6	Very low	312 Å²	312	143.4 Å²	143.4	100%	1.177	83%	0.825	S	S	*	*				0	84.7	0	-66	-179.9	-178.3	-177.4	0.2	105.4
2	G	32.8	Very low	32.5	Very low	75 Å²	75	151.3 Å²	151.3	77%	0.773	83%	0.834	S	S	*	*				105.4	102.2	73	0	0	0	0	0	106
3	A	33.8	Very low	32.3	Very low	98 Å²	98	148.2 Å²	148.2	81%	0.81	83%	0.829	S	S	*	*				96.6	137.3	65	0	0	0	0	0	113.5
4	S	32	Very low	32.6	Very low	114 Å²	114	144.9 Å²	144.9	80%	0.797	82%	0.821	S	S	*	*			trans	89.6	117.6	164.4	-49.6	0	0	0	0	116.7
5	V	35.4	Very low	32.9	Very low	129 Å²	129	151.9 Å²	151.9	78%	0.782	83%	0.829	S	S	*	*			cis	76.4	129.8	32.8	-169.2	0	0	0	0	115.3
6	M	32.1	Very low	33.1	Very low	164 Å²	164	146.9 Å²	146.9	81%	0.808	82%	0.823	S	S	*	*			trans	120.4	142.5	154.9	-66.6	-147.3	-168.1	0	0	115.5
7	Y	31	Very low	33.6	Very low	202 Å²	202	146.1 Å²	146.1	79%	0.792	83%	0.826	S	S	*	*			cis	-167.9	155.4	-8.7	-131.7	-114	0	0	0	109.8
8	A	32.1	Very low	34.1	Very low	87 Å²	87	143.5 Å²	143.5	72%	0.719	83%	0.826	S	S	*	*			trans	55.8	129.3	143.4	0	0	0	0	0	124.6
9	S	30.5	Very low	34.5	Very low	118 Å²	118	145.2 Å²	145.2	83%	0.825	83%	0.83	S	S	*	*				171.5	132	95	176.6	0	0	0	0	111.2
10	G	31	Very low	35.4	Very low	64 Å²	64	145.6 Å²	145.6	66%	0.66	83%	0.828	S	S	*	*			trans	-81.3	172.1	174.4	0	0	0	0	0	114.7
11	K	31.1	Very low	36.2	Very low	214 Å²	214	144 Å²	144	93%	0.93	82%	0.824	S	S	*	*			trans	-175.2	132.3	136.3	-101.6	170.8	-172.9	-178.2	0	111.9
12	Y	31.4	Very low	36.9	Very low	239 Å²	239	141 Å²	141	94%	0.937	81%	0.812	S	S	*	*			trans	-54.1	145.4	162.5	-89.8	-110.2	0	0	0	112.4
13	S	31	Very low	38	Very low	110 Å²	110	142.7 Å²	142.7	77%	0.769	80%	0.802	S	S	*	*				-175.9	125.6	121.6	-142.4	0	0	0	0	115
14	S	36	Very low	39.4	Very low	102 Å²	102	146 Å²	146	71%	0.713	80%	0.798	S	S	*	*			trans	4.2	125.8	148.4	52.4	0	0	0	0	122.1
15	R	37	Very low	40.8	Very low	251 Å²	251	145.8 Å²	145.8	95%	0.947	79%	0.792	S	S	*	*			trans	-139.4	123.3	137.2	-75.2	-169.6	174.6	171	-2.1	109.7
16	G	35.7	Very low	41.9	Very low	71 Å²	71	148.3 Å²	148.3	73%	0.732	79%	0.792	S	S	*	*			trans	-72.9	177	-174.8	0	0	0	0	0	114.9
17	P	42.7	Very low	43.4	Very low	134 Å²	134	145.5 Å²	145.5	87%	0.87	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-80.5	137.4	-171.5	25.5	-20.7	0	0	0	112.5
18	A	42.3	Very low	45.1	Very low	99 Å²	99	143.8 Å²	143.8	82%	0.818	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-66.4	133.7	173	0	0	0	0	0	111.1	I20	A18-I20 PolarHBondContact O-N 2.77Å
19	L	42	Very low	47	Very low	175 Å²	175	145.1 Å²	145.1	92%	0.916	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-58.2	121.3	179.8	-77.4	137.6	0	0	0	112.3
20	I	52.3	Low	49.3	Very low	153 Å²	153	146.6 Å²	146.6	79%	0.785	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-67.9	133.2	166.7	-60.6	169.7	0	0	0	108.3	A18 R22	A18-I20 PolarHBondContact O-N 2.77Å; I20-R22 PolarHBondContact O-N 2.65Å
21	P	51.8	Low	51.6	Low	114 Å²	114	149.6 Å²	149.6	74%	0.74	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-64.4	124.4	-179.7	-7.3	18.1	0	0	0	110.7	M23	P21-M23 PolarHBondContact O-N 2.71Å
22	R	51.6	Low	53.9	Low	247 Å²	247	143.9 Å²	143.9	93%	0.932	72%	0.722	S	S	*	*			trans	-59.8	105.2	172.3	-91.4	-179.3	166.1	171.9	-3.8	110	I20 K24	I20-R22 PolarHBondContact O-N 2.65Å; R22-K24 PolarHBondContact O-N 3.11Å
23	M	55.6	Low	56.3	Low	112 Å²	112	134.9 Å²	134.9	55%	0.552	70%	0.697	S	S	*	*			trans	-58.8	129	166.5	-78	176.1	66.8	0	0	110.1	P21 T25 H27 Y31	P21-M23 PolarHBondContact O-N 2.71Å; M23-T25 PolarHBondContact O-N 3.26Å; M23-H27 HydrophobicContact CE-CB 4.04Å; M23-Y31 HydrophobicContact CE-CD2 3.43Å; M23-Y31 VanDerWaalsContact CE-CD2 3.43Å; M23-Y31 HydrophobicContact CE-CE2 3.6Å
24	K	62.8	Low	58.9	Low	167 Å²	167	133.5 Å²	133.5	73%	0.726	68%	0.681	S	S	*	*			trans	-54.6	134.4	177.1	-67.5	179.2	178.8	177.3	0	109.9	R22 K26 H27 R28	R22-K24 PolarHBondContact O-N 3.11Å; K24-K26 PolarHBondContact O-N 3.04Å; K24-H27 PolarHBondContact O-N 3.41Å; K24-R28 PolarHBondContact O-N 2.8Å
25	T	60.7	Low	61.2	Low	110 Å²	110	135.5 Å²	135.5	68%	0.675	68%	0.677	S	S	*	*	H	α-helix	trans	-50.1	-33.7	-169.7	-12.5	0	0	0	0	114.3	M23 H27 R28 I29	M23-T25 PolarHBondContact O-N 3.26Å; T25-H27 PolarHBondContact O-N 3Å; T25-R28 PolarHBondContact O-N 2.99Å; T25-I29 WeakPolarHBondContact O-CG1 3.48Å; T25-I29 PolarHBondContact O-N 2.92Å
26	K	59.9	Low	63.5	Low	181 Å²	181	126.1 Å²	126.1	79%	0.787	65%	0.65	S	S	*	*	H	α-helix	trans	-64.3	-35.6	176	-75.2	-173.2	173.3	-175.8	0	114	K24 Y30	K24-K26 PolarHBondContact O-N 3.04Å; K26-Y30 PolarHBondContact O-N 3.37Å
27	H	63.9	Low	66	Low	106 Å²	106	127.6 Å²	127.6	49%	0.491	64%	0.644	S	S	.	*	H	α-helix	trans	-77.7	-33.2	178.5	-66.5	70.4	0	0	0	111.1	M23 K24 T25 I29 Y30 Y31	M23-H27 HydrophobicContact CE-CB 4.04Å; K24-H27 PolarHBondContact O-N 3.41Å; T25-H27 PolarHBondContact O-N 3Å; H27-I29 VanDerWaalsContact C-N 3.34Å; H27-I29 PolarHBondContact O-N 3.01Å; H27-Y30 PolarHBondContact O-N 3Å; H27-Y31 HydrophobicContact CB-CD2 4.47Å; H27-Y31 HydrophobicContact CB-CE2 4.45Å; H27-Y31 WeakPolarHBondContact O-CD2 3.49Å; H27-Y31 PolarHBondContact O-N 3.26Å
28	R	65	Low	68	Low	166 Å²	166	125 Å²	125	63%	0.626	63%	0.626	S	S	*	*	H	α-helix	trans	-62.5	-41.4	175.1	-166.9	178.1	175.7	-167.6	-1.7	111.6	K24 T25 I32	K24-R28 PolarHBondContact O-N 2.8Å; T25-R28 PolarHBondContact O-N 2.99Å; R28-I32 HydrophobicContact CG-CD1 3.86Å; R28-I32 WeakPolarHBondContact O-CB 3.44Å; R28-I32 WeakPolarHBondContact O-CD1 3.41Å; R28-I32 WeakPolarHBondContact O-CG1 3.45Å; R28-I32 PolarHBondContact O-N 3.31Å
29	I	73.6	Confident	70.1	Confident	115 Å²	115	124.2 Å²	124.2	59%	0.59	61%	0.608	S	S	*	*	H	α-helix	trans	-65.7	-41.7	174.9	-64	166.9	0	0	0	110.7	T25 H27 I32 A33	T25-I29 WeakPolarHBondContact O-CG1 3.48Å; T25-I29 PolarHBondContact O-N 2.92Å; H27-I29 VanDerWaalsContact C-N 3.34Å; H27-I29 PolarHBondContact O-N 3.01Å; I29-I32 PolarHBondContact O-N 3.42Å; I29-A33 VanDerWaalsContact O-CB 3.28Å; I29-A33 WeakPolarHBondContact O-CB 3.3Å; I29-A33 PolarHBondContact O-N 2.94Å
30	Y	78.4	Confident	72.2	Confident	148 Å²	148	121.3 Å²	121.3	58%	0.58	59%	0.593	S	S	*	*	H	α-helix	trans	-61	-48	177.4	-177.7	-96.1	0	0	0	112.5	K26 H27 A33 L34	K26-Y30 PolarHBondContact O-N 3.37Å; H27-Y30 PolarHBondContact O-N 3Å; Y30-A33 PolarHBondContact O-N 3.38Å; Y30-L34 VanDerWaalsContact O-CB 3.31Å; Y30-L34 WeakPolarHBondContact O-CB 3.16Å; Y30-L34 PolarHBondContact O-N 3.49Å
31	Y	78.3	Confident	73.7	Confident	128 Å²	128	115.7 Å²	115.7	50%	0.502	57%	0.572	S	S	.	*	H	α-helix	trans	-70.8	-32.9	178.6	-74.5	-70.4	0	0	0	113.1	M23 H27 L34 F35	M23-Y31 HydrophobicContact CE-CD2 3.43Å; M23-Y31 VanDerWaalsContact CE-CD2 3.43Å; M23-Y31 HydrophobicContact CE-CE2 3.6Å; H27-Y31 HydrophobicContact CB-CD2 4.47Å; H27-Y31 HydrophobicContact CB-CE2 4.45Å; H27-Y31 WeakPolarHBondContact O-CD2 3.49Å; H27-Y31 PolarHBondContact O-N 3.26Å; Y31-L34 HydrophobicContact CD1-CD2 4.41Å; Y31-F35 WeakPolarHBondContact O-CB 3.38Å; Y31-F35 PolarHBondContact O-N 2.94Å
32	I	80.3	Confident	75.2	Confident	93 Å²	93	115.6 Å²	115.6	48%	0.477	57%	0.565	S	S	.	*	H	α-helix	trans	-65.5	-45.8	172.2	-70.4	167.5	0	0	0	109.9	R28 I29 F35 S36	R28-I32 HydrophobicContact CG-CD1 3.86Å; R28-I32 WeakPolarHBondContact O-CB 3.44Å; R28-I32 WeakPolarHBondContact O-CD1 3.41Å; R28-I32 WeakPolarHBondContact O-CG1 3.45Å; R28-I32 PolarHBondContact O-N 3.31Å; I29-I32 PolarHBondContact O-N 3.42Å; I32-F35 PolarHBondContact O-N 3.41Å; I32-S36 WeakPolarHBondContact O-CB 3.46Å; I32-S36 PolarHBondContact O-N 3.24Å; I32-S36 PolarHBondContact O-OG 3.48Å
33	A	82	Confident	76.6	Confident	50 Å²	50	107.9 Å²	107.9	41%	0.413	54%	0.542	S	S	.	.	H	α-helix	trans	-63.3	-44	177.4	0	0	0	0	0	111.7	I29 Y30 F35 S36 V37	I29-A33 VanDerWaalsContact O-CB 3.28Å; I29-A33 WeakPolarHBondContact O-CB 3.3Å; I29-A33 PolarHBondContact O-N 2.94Å; Y30-A33 PolarHBondContact O-N 3.38Å; A33-F35 PolarHBondContact O-N 2.97Å; A33-S36 PolarHBondContact O-N 2.69Å; A33-V37 VanDerWaalsContact O-CG2 3.28Å; A33-V37 WeakPolarHBondContact O-CG2 3.07Å; A33-V37 PolarHBondContact O-N 2.04Å
34	L	84.8	Confident	77.7	Confident	82 Å²	82	104.9 Å²	104.9	43%	0.429	54%	0.535	S	S	.	.	H	α-helix	trans	-60.8	-45.5	175.9	-171.6	77	0	0	0	111.2	Y30 Y31 V37 V38	Y30-L34 VanDerWaalsContact O-CB 3.31Å; Y30-L34 WeakPolarHBondContact O-CB 3.16Å; Y30-L34 PolarHBondContact O-N 3.49Å; Y31-L34 HydrophobicContact CD1-CD2 4.41Å; L34-V37 PolarHBondContact O-N 3.27Å; L34-V38 VanDerWaalsContact O-CG2 3.3Å; L34-V38 WeakPolarHBondContact O-CG2 3.21Å; L34-V38 PolarHBondContact O-N 3.4Å
35	F	84.5	Confident	78.3	Confident	143 Å²	143	100.6 Å²	100.6	63%	0.627	52%	0.522	S	S	*	.	H	α-helix	trans	-65.6	-40.1	177.8	-169.1	-95.1	0	0	0	111.7	Y31 I32 A33 V38 L39	Y31-F35 WeakPolarHBondContact O-CB 3.38Å; Y31-F35 PolarHBondContact O-N 2.94Å; I32-F35 PolarHBondContact O-N 3.41Å; A33-F35 PolarHBondContact O-N 2.97Å; F35-V38 PolarHBondContact O-N 2.79Å; F35-L39 HydrophobicContact CE1-CD2 4.47Å; F35-L39 WeakPolarHBondContact O-CB 3.08Å; F35-L39 PolarHBondContact O-N 2.77Å
36	S	84.7	Confident	78.9	Confident	55 Å²	55	96.5 Å²	96.5	39%	0.385	50%	0.502	S	S	.	.	H	α-helix	trans	-64	-39.3	174.6	-65.9	0	0	0	0	112.4	I32 A33 L40	I32-S36 WeakPolarHBondContact O-CB 3.46Å; I32-S36 PolarHBondContact O-N 3.24Å; I32-S36 PolarHBondContact O-OG 3.48Å; A33-S36 PolarHBondContact O-N 2.69Å; S36-L40 VanDerWaalsContact O-CB 3.26Å; S36-L40 WeakPolarHBondContact O-CB 3.32Å; S36-L40 VanDerWaalsContact O-CG 3.28Å; S36-L40 WeakPolarHBondContact O-CG 2.97Å; S36-L40 PolarHBondContact O-N 2.93Å
37	V	88.1	Confident	79.3	Confident	101 Å²	101	92.6 Å²	92.6	61%	0.612	49%	0.488	S	S	*	.	H	α-helix	trans	-67.9	-43	176.3	170.4	0	0	0	0	111.2	A33 L34 L40 G41	A33-V37 VanDerWaalsContact O-CG2 3.28Å; A33-V37 WeakPolarHBondContact O-CG2 3.07Å; A33-V37 PolarHBondContact O-N 2.04Å; L34-V37 PolarHBondContact O-N 3.27Å; V37-L40 PolarHBondContact O-N 3.19Å; V37-G41 PolarHBondContact O-N 3.26Å
38	V	85.4	Confident	79.4	Confident	80 Å²	80	95.3 Å²	95.3	49%	0.485	50%	0.498	S	S	.	.	H	α-helix	trans	-66.1	-41.1	176.5	172.5	0	0	0	0	111.2	L34 F35 G41 L42	L34-V38 VanDerWaalsContact O-CG2 3.3Å; L34-V38 WeakPolarHBondContact O-CG2 3.21Å; L34-V38 PolarHBondContact O-N 3.4Å; F35-V38 PolarHBondContact O-N 2.79Å; V38-G41 PolarHBondContact O-N 3.08Å; V38-L42 HydrophobicContact CG1-CD1 4.23Å; V38-L42 WeakPolarHBondContact O-CG 3.34Å; V38-L42 PolarHBondContact O-N 3.15Å
39	L	86.3	Confident	79.3	Confident	82 Å²	82	95 Å²	95	43%	0.429	50%	0.504	S	S	.	.	H	α-helix	trans	-66.4	-42.9	177.2	-172.4	71.2	0	0	0	111.5	F35 G41 L42 I43	F35-L39 HydrophobicContact CE1-CD2 4.47Å; F35-L39 WeakPolarHBondContact O-CB 3.08Å; F35-L39 PolarHBondContact O-N 2.77Å; L39-G41 VanDerWaalsContact C-N 3.31Å; L39-L42 PolarHBondContact O-N 3Å; L39-I43 HydrophobicContact CG-CD1 4.01Å; L39-I43 WeakPolarHBondContact O-CB 3.4Å; L39-I43 VanDerWaalsContact O-CG1 3.22Å; L39-I43 WeakPolarHBondContact O-CG1 3.49Å; L39-I43 PolarHBondContact O-N 3.04Å
40	L	86.6	Confident	78.4	Confident	115 Å²	115	98 Å²	98	60%	0.602	51%	0.513	S	S	*	.	H	α-helix	trans	-65	-36.4	173.7	-79	167.2	0	0	0	111.7	S36 V37 I43 A44	S36-L40 VanDerWaalsContact O-CB 3.26Å; S36-L40 WeakPolarHBondContact O-CB 3.32Å; S36-L40 VanDerWaalsContact O-CG 3.28Å; S36-L40 WeakPolarHBondContact O-CG 2.97Å; S36-L40 PolarHBondContact O-N 2.93Å; V37-L40 PolarHBondContact O-N 3.19Å; L40-I43 PolarHBondContact O-N 3.42Å; L40-A44 WeakPolarHBondContact O-CB 3.28Å; L40-A44 PolarHBondContact O-N 3.22Å
41	G	84.6	Confident	76.9	Confident	35 Å²	35	98.4 Å²	98.4	36%	0.361	51%	0.514	S	S	.	.	H	α-helix	trans	-61.9	-46.3	172.3	0	0	0	0	0	112	V37 V38 L39 A44 T45	V37-G41 PolarHBondContact O-N 3.26Å; V38-G41 PolarHBondContact O-N 3.08Å; L39-G41 VanDerWaalsContact C-N 3.31Å; G41-A44 PolarHBondContact O-N 3.21Å; G41-T45 WeakPolarHBondContact O-CG2 3.27Å; G41-T45 PolarHBondContact O-N 3.2Å; G41-T45 PolarHBondContact O-OG1 2.75Å; G41-T45 VanDerWaalsContact O-OG1 3.04Å
42	L	82.8	Confident	75.2	Confident	111 Å²	111	97.1 Å²	97.1	58%	0.581	52%	0.521	S	S	*	.	H	α-helix	trans	-66.2	-38.7	176.9	-78.7	169.5	0	0	0	112.8	V38 L39 T45 G46	V38-L42 HydrophobicContact CG1-CD1 4.23Å; V38-L42 WeakPolarHBondContact O-CG 3.34Å; V38-L42 PolarHBondContact O-N 3.15Å; L39-L42 PolarHBondContact O-N 3Å; L42-T45 VanDerWaalsContact CA-OG1 3.32Å; L42-T45 WeakPolarHBondContact CA-OG1 3.46Å; L42-T45 PolarHBondContact O-OG1 3.03Å; L42-G46 PolarHBondContact O-N 3.41Å
43	I	81.1	Confident	73.3	Confident	86 Å²	86	99.5 Å²	99.5	44%	0.441	53%	0.53	S	S	.	.	H	α-helix	trans	-67.5	-40.3	173.6	-67.9	166.3	0	0	0	109.8	L39 L40 G46 M47	L39-I43 HydrophobicContact CG-CD1 4.01Å; L39-I43 WeakPolarHBondContact O-CB 3.4Å; L39-I43 VanDerWaalsContact O-CG1 3.22Å; L39-I43 WeakPolarHBondContact O-CG1 3.49Å; L39-I43 PolarHBondContact O-N 3.04Å; L40-I43 PolarHBondContact O-N 3.42Å; I43-G46 PolarHBondContact O-N 3.11Å; I43-M47 HydrophobicContact CG2-CG 4.13Å; I43-M47 WeakPolarHBondContact O-CA 3.18Å; I43-M47 WeakPolarHBondContact O-CB 3.44Å; I43-M47 WeakPolarHBondContact O-CG 3.48Å; I43-M47 PolarHBondContact O-N 2.99Å
44	A	78.5	Confident	71.3	Confident	49 Å²	49	102.6 Å²	102.6	41%	0.405	55%	0.549	S	S	.	.	H	α-helix	trans	-67.5	-40.5	177.2	0	0	0	0	0	111.9	L40 G41 M47 F48	L40-A44 WeakPolarHBondContact O-CB 3.28Å; L40-A44 PolarHBondContact O-N 3.22Å; G41-A44 PolarHBondContact O-N 3.21Å; A44-M47 CarbonylContact O-C 3.57Å; A44-M47 PolarHBondContact O-N 3.29Å; A44-F48 WeakPolarHBondContact O-CB 3.48Å; A44-F48 PolarHBondContact O-N 2.83Å
45	T	74.8	Confident	69.1	Low	76 Å²	76	104.7 Å²	104.7	47%	0.466	56%	0.559	S	S	.	*	H	α-helix	trans	-69.6	-39.9	174.2	50.8	0	0	0	0	111.8	G41 L42 M47 F48 Q49	G41-T45 WeakPolarHBondContact O-CG2 3.27Å; G41-T45 PolarHBondContact O-N 3.2Å; G41-T45 PolarHBondContact O-OG1 2.75Å; G41-T45 VanDerWaalsContact O-OG1 3.04Å; L42-T45 VanDerWaalsContact CA-OG1 3.32Å; L42-T45 WeakPolarHBondContact CA-OG1 3.46Å; L42-T45 PolarHBondContact O-OG1 3.03Å; T45-M47 VanDerWaalsContact C-N 3.34Å; T45-F48 PolarHBondContact O-N 2.75Å; T45-Q49 WeakPolarHBondContact O-CB 3.47Å; T45-Q49 PolarHBondContact O-N 3.28Å
46	G	73.5	Confident	66.8	Low	24 Å²	24	106.7 Å²	106.7	25%	0.247	57%	0.57	C	S	.	*	H	α-helix	trans	-63.1	-43.3	172.4	0	0	0	0	0	110.9	L42 I43 F48 Q49 F50	L42-G46 PolarHBondContact O-N 3.41Å; I43-G46 PolarHBondContact O-N 3.11Å; G46-F48 VanDerWaalsContact C-N 3.34Å; G46-F48 PolarHBondContact O-N 2.89Å; G46-Q49 PolarHBondContact O-N 3.4Å; G46-F50 WeakPolarHBondContact O-CA 2.96Å; G46-F50 VanDerWaalsContact O-CB 3.25Å; G46-F50 WeakPolarHBondContact O-CB 3.43Å; G46-F50 VanDerWaalsContact O-CD2 3.23Å; G46-F50 WeakPolarHBondContact O-CD2 3.46Å; G46-F50 PolarHBondContact O-N 3.29Å
47	M	69.3	Low	64.3	Low	100 Å²	100	109.4 Å²	109.4	49%	0.493	59%	0.589	S	S	.	*	H	α-helix	trans	-68.5	-28.5	175.3	-74.8	-135	-51.5	0	0	112.6	I43 A44 T45 W51	I43-M47 HydrophobicContact CG2-CG 4.13Å; I43-M47 WeakPolarHBondContact O-CA 3.18Å; I43-M47 WeakPolarHBondContact O-CB 3.44Å; I43-M47 WeakPolarHBondContact O-CG 3.48Å; I43-M47 PolarHBondContact O-N 2.99Å; A44-M47 CarbonylContact O-C 3.57Å; A44-M47 PolarHBondContact O-N 3.29Å; T45-M47 VanDerWaalsContact C-N 3.34Å; M47-W51 HydrophobicContact CB-CE3 4.07Å; M47-W51 HydrophobicContact CB-CZ3 4.42Å; M47-W51 HydrophobicContact CE-CE3 4.22Å; M47-W51 HydrophobicContact CE-CH2 4.43Å; M47-W51 HydrophobicContact CE-CZ3 3.51Å; M47-W51 WeakPolarHBondContact O-CA 3.36Å; M47-W51 WeakPolarHBondContact O-CB 3.36Å; M47-W51 PolarHBondContact O-N 2.93Å; M47-W51 HydrophobicContact SD-CE3 4.22Å; M47-W51 HydrophobicContact SD-CZ3 3.74Å
48	F	65.1	Low	61.6	Low	162 Å²	162	108.8 Å²	108.8	71%	0.711	59%	0.589	S	S	*	*	H	α-helix	trans	-81.4	-34.3	174.7	-112.2	-89	0	0	0	112.7	A44 T45 G46	A44-F48 WeakPolarHBondContact O-CB 3.48Å; A44-F48 PolarHBondContact O-N 2.83Å; T45-F48 PolarHBondContact O-N 2.75Å; G46-F48 VanDerWaalsContact C-N 3.34Å; G46-F48 PolarHBondContact O-N 2.89Å
49	Q	62.3	Low	59.2	Low	160 Å²	160	107.3 Å²	107.3	75%	0.748	59%	0.586	S	S	*	*	H	α-helix	trans	-80.5	-22.2	179.4	-160.1	165.5	-0.4	0	0	112.1	T45 G46	T45-Q49 WeakPolarHBondContact O-CB 3.47Å; T45-Q49 PolarHBondContact O-N 3.28Å; G46-Q49 PolarHBondContact O-N 3.4Å
50	F	55	Low	56.5	Low	179 Å²	179	111.8 Å²	111.8	79%	0.785	60%	0.604	S	S	*	*	S	Bend	trans	-117.1	11.8	171.7	-60.8	-79.1	0	0	0	112.7	G46	G46-F50 WeakPolarHBondContact O-CA 2.96Å; G46-F50 VanDerWaalsContact O-CB 3.25Å; G46-F50 WeakPolarHBondContact O-CB 3.43Å; G46-F50 VanDerWaalsContact O-CD2 3.23Å; G46-F50 WeakPolarHBondContact O-CD2 3.46Å; G46-F50 PolarHBondContact O-N 3.29Å
51	W	47.6	Very low	54.2	Low	155 Å²	155	116.9 Å²	116.9	59%	0.587	62%	0.616	S	S	*	*	S	Bend	trans	-67.8	130.4	169.4	-151.4	-102.6	0	0	0	104.7	M47 H53	M47-W51 HydrophobicContact CB-CE3 4.07Å; M47-W51 HydrophobicContact CB-CZ3 4.42Å; M47-W51 HydrophobicContact CE-CE3 4.22Å; M47-W51 HydrophobicContact CE-CH2 4.43Å; M47-W51 HydrophobicContact CE-CZ3 3.51Å; M47-W51 WeakPolarHBondContact O-CA 3.36Å; M47-W51 WeakPolarHBondContact O-CB 3.36Å; M47-W51 PolarHBondContact O-N 2.93Å; M47-W51 HydrophobicContact SD-CE3 4.22Å; M47-W51 HydrophobicContact SD-CZ3 3.74Å; W51-H53 PolarHBondContact O-N 3.41Å
52	P	42.3	Very low	51.6	Low	102 Å²	102	119.5 Å²	119.5	66%	0.662	63%	0.625	S	S	*	*			trans	-64	100.8	164.7	28.5	-28.9	0	0	0	105.1	S54	P52-S54 PolarHBondContact O-N 3.09Å
53	H	40.6	Very low	49.6	Very low	142 Å²	142	120.5 Å²	120.5	66%	0.657	63%	0.63	S	S	*	*			trans	-48	121.2	146.5	-81.2	-55.3	0	0	0	103.9	W51 I55	W51-H53 PolarHBondContact O-N 3.41Å; H53-I55 PolarHBondContact O-N 3.1Å
54	S	40	Very low	47.5	Very low	116 Å²	116	124 Å²	124	81%	0.811	65%	0.645	S	S	*	*			trans	-53.2	87.2	165.7	49.6	0	0	0	0	106.2	P52 E56	P52-S54 PolarHBondContact O-N 3.09Å; S54-E56 VanDerWaalsContact C-N 3.3Å; S54-E56 PolarHBondContact O-N 3.3Å
55	I	38.6	Very low	45.7	Very low	126 Å²	126	131.9 Å²	131.9	65%	0.646	67%	0.67	S	S	*	*			trans	-55.9	108.7	157.1	-69.9	165.9	0	0	0	101.2	H53 S57	H53-I55 PolarHBondContact O-N 3.1Å; I55-S57 PolarHBondContact O-N 3.47Å
56	E	35.7	Very low	44.3	Very low	184 Å²	184	130.7 Å²	130.7	86%	0.86	67%	0.673	S	S	*	*			trans	-35.7	113.5	154.1	-87.4	179.6	148.2	0	0	105.8	S54 S58	S54-E56 VanDerWaalsContact C-N 3.3Å; S54-E56 PolarHBondContact O-N 3.3Å; E56-S58 PolarHBondContact O-N 2.76Å
57	S	31.4	Very low	43.2	Very low	112 Å²	112	132.1 Å²	132.1	78%	0.783	68%	0.679	S	S	*	*			trans	-29.3	90.9	-178.9	171	0	0	0	0	110.3	I55 A59	I55-S57 PolarHBondContact O-N 3.47Å; S57-A59 PolarHBondContact O-N 2.62Å
58	S	32.7	Very low	42.7	Very low	88 Å²	88	130 Å²	130	62%	0.615	67%	0.672	S	S	*	*			trans	-70	95.1	159.7	53.3	0	0	0	0	100.7	E56 E60	E56-S58 PolarHBondContact O-N 2.76Å; S58-E60 PolarHBondContact O-N 3.17Å
59	A	35.2	Very low	42.4	Very low	49 Å²	49	128.9 Å²	128.9	41%	0.405	67%	0.668	S	S	.	*			trans	-35.6	118.6	172.8	0	0	0	0	0	106.9	S57 W61	S57-A59 PolarHBondContact O-N 2.62Å; A59-W61 PolarHBondContact O-N 3.05Å
60	E	28	Very low	42.7	Very low	176 Å²	176	127.5 Å²	127.5	82%	0.822	67%	0.666	S	S	*	*			trans	-63.6	83.5	178.3	-161.3	168.7	-164.7	0	0	105.2	S58 T62	S58-E60 PolarHBondContact O-N 3.17Å; E60-T62 PolarHBondContact O-N 3.09Å; E60-T62 PolarHBondContact O-OG1 3.17Å
61	W	38.6	Very low	43.9	Very low	223 Å²	223	119.8 Å²	119.8	85%	0.845	64%	0.635	S	S	*	*			trans	-77.9	62.3	175	-64.8	100.1	0	0	0	107.5	A59 L63	A59-W61 PolarHBondContact O-N 3.05Å; W61-L63 PolarHBondContact O-N 2.93Å
62	T	30.3	Very low	45.7	Very low	89 Å²	89	116.1 Å²	116.1	55%	0.546	63%	0.631	S	S	.	*			trans	-51.2	127.6	135.8	42	0	0	0	0	105.7	E60 E64	E60-T62 PolarHBondContact O-N 3.09Å; E60-T62 PolarHBondContact O-OG1 3.17Å; T62-E64 PolarHBondContact O-N 3.33Å
63	L	40.2	Very low	47.9	Very low	133 Å²	133	115.7 Å²	115.7	70%	0.696	62%	0.623	S	S	*	*			trans	-61.8	63	158.3	-100.2	141	0	0	0	107.4	W61	W61-L63 PolarHBondContact O-N 2.93Å
64	E	37.5	Very low	50.3	Low	159 Å²	159	111 Å²	111	74%	0.743	60%	0.603	S	S	*	*			trans	-53.7	139.7	150.3	-79.1	-160.9	149.4	0	0	105.3	T62 G66	T62-E64 PolarHBondContact O-N 3.33Å; E64-G66 PolarHBondContact O-N 3.33Å
65	K	41.8	Very low	52.7	Low	214 Å²	214	113.7 Å²	113.7	93%	0.93	60%	0.595	S	S	*	*			trans	-58.7	67.9	175.3	-68.2	164.9	172.8	171	0	110.1	S67	K65-S67 PolarHBondContact O-N 2.94Å; K65-S67 VanDerWaalsContact O-N 3.13Å
66	G	45.2	Very low	55.3	Low	52 Å²	52	107.8 Å²	107.8	54%	0.536	56%	0.564	S	S	.	*			trans	-57.3	117.5	164.3	0	0	0	0	0	105.4	E64 V68	E64-G66 PolarHBondContact O-N 3.33Å; G66-V68 PolarHBondContact O-N 2.66Å
67	S	50.8	Low	57.8	Low	53 Å²	53	101.4 Å²	101.4	37%	0.371	54%	0.539	S	S	.	.			trans	-53.9	140.4	174.9	-178.5	0	0	0	0	108	K65 H69 D70	K65-S67 PolarHBondContact O-N 2.94Å; K65-S67 VanDerWaalsContact O-N 3.13Å; S67-H69 PolarHBondContact O-N 3.1Å; S67-H69 PolarHBondContact OG-CD2 3.15Å; S67-H69 VanDerWaalsContact OG-CD2 3.23Å; S67-H69 PolarHBondContact OG-N 2.66Å; S67-D70 WeakPolarHBondContact CB-OD2 3.48Å; S67-D70 PolarHBondContact O-N 2.82Å
68	V	58.2	Low	60.4	Low	57 Å²	57	98.4 Å²	98.4	35%	0.345	52%	0.521	S	S	.	.	G	3₁₀ helix	trans	-50.1	-24.4	173.1	178.4	0	0	0	0	110.9	G66 L116 R118 L132	G66-V68 PolarHBondContact O-N 2.66Å; V68-L116 HydrophobicContact CB-CD2 4.48Å; V68-L116 HydrophobicContact CG2-CD2 4.18Å; V68-R118 VanDerWaalsContact O-CD 3.28Å; V68-R118 WeakPolarHBondContact O-CD 3.49Å; V68-L132 HydrophobicContact CG2-CB 4.18Å; V68-L132 HydrophobicContact CG2-CD2 4.22Å
69	H	58.3	Low	63.1	Low	137 Å²	137	99.5 Å²	99.5	63%	0.634	53%	0.529	S	S	*	.	G	3₁₀ helix	trans	-65.5	-29.9	175.8	-63.6	-56	0	0	0	115.1	S67 R118	S67-H69 PolarHBondContact O-N 3.1Å; S67-H69 PolarHBondContact OG-CD2 3.15Å; S67-H69 VanDerWaalsContact OG-CD2 3.23Å; S67-H69 PolarHBondContact OG-N 2.66Å; H69-R118 PolarHBondContact O-NH1 2.85Å
70	D	67.8	Low	65.7	Low	132 Å²	132	97.7 Å²	97.7	71%	0.706	51%	0.513	S	S	*	.	G	3₁₀ helix	trans	-93.1	-4.6	-174.8	-56.4	-39.9	0	0	0	113.1	S67	S67-D70 WeakPolarHBondContact CB-OD2 3.48Å; S67-D70 PolarHBondContact O-N 2.82Å
71	A	80.4	Confident	68.8	Low	16 Å²	16	93.2 Å²	93.2	13%	0.132	50%	0.499	C	S	.	.	S	Bend	trans	-69.5	143.8	178.3	0	0	0	0	0	112.1	L73 L116 R118	A71-L73 PolarHBondContact O-N 2.83Å; A71-L116 HydrophobicContact CB-CB 4.34Å; A71-L116 HydrophobicContact CB-CD2 4Å; A71-L116 HydrophobicContact CB-CG 3.92Å; A71-R118 HydrophobicContact CB-CG 4.05Å
72	P	86.3	Confident	71.4	Confident	79 Å²	79	86.5 Å²	86.5	51%	0.513	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-59.9	134.9	-178.2	24.5	-34.7	0	0	0	111.9	L116 Q117 R118	P72-L116 WeakPolarHBondContact CD-O 3.21Å; P72-Q117 HydrophobicContact CG-CG 4.23Å; P72-R118 PolarHBondContact O-N 3.04Å
73	L	88.1	Confident	74.3	Confident	93 Å²	93	82.7 Å²	82.7	49%	0.487	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	121.4	177.9	-172.1	77.6	0	0	0	110.6	A71 R118 V120	A71-L73 PolarHBondContact O-N 2.83Å; L73-R118 CarbonylContact C-O 3.47Å; L73-R118 WeakPolarHBondContact CA-O 3.41Å; L73-R118 HydrophobicContact CD1-CB 3.92Å; L73-V120 HydrophobicContact CD1-CB 4.43Å; L73-V120 HydrophobicContact CD1-CG1 3.68Å; L73-V120 HydrophobicContact CD1-CG2 3.87Å; L73-V120 HydrophobicContact CD2-CG2 4.26Å; L73-V120 HydrophobicContact CG-CG2 4.06Å
74	I	90.7	Very high	76.8	Confident	44 Å²	44	83.4 Å²	83.4	23%	0.226	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	124.3	174.9	-58.6	-173.9	0	0	0	108.6	Q117 R118 F119 V120 M182	I74-Q117 HydrophobicContact CD1-CB 4.13Å; I74-Q117 VanDerWaalsContact CD1-CD 3.4Å; I74-Q117 HydrophobicContact CD1-CG 3.98Å; I74-Q117 VanDerWaalsContact CD1-OE1 3.23Å; I74-R118 PolarHBondContact N-O 2.93Å; I74-F119 HydrophobicContact CB-CD1 3.88Å; I74-F119 HydrophobicContact CB-CE1 4.01Å; I74-F119 HydrophobicContact CD1-CE1 3.93Å; I74-F119 HydrophobicContact CD1-CZ 4.3Å; I74-F119 HydrophobicContact CG1-CE1 4.49Å; I74-F119 HydrophobicContact CG2-CD1 3.97Å; I74-F119 HydrophobicContact CG2-CE1 3.98Å; I74-F119 WeakPolarHBondContact O-CA 3.49Å; I74-V120 PolarHBondContact O-N 2.79Å; I74-M182 HydrophobicContact CG2-CE 4.4Å
75	R	91.6	Very high	79.2	Confident	171 Å²	171	86.4 Å²	86.4	65%	0.645	46%	0.46	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.2	136.7	172.8	-63.9	-172.8	-179.8	-176.8	0.1	109.6	P77 V120	R75-P77 VanDerWaalsContact O-CD 3.23Å; R75-P77 WeakPolarHBondContact O-CD 3.27Å; R75-V120 CarbonylContact C-O 3.54Å; R75-V120 WeakPolarHBondContact CA-O 3.38Å; R75-V120 HydrophobicContact CG-CG2 3.87Å
76	L	91.8	Very high	81.1	Confident	2 Å²	2	77.2 Å²	77.2	1%	0.01	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	103.4	178.2	-59.8	174.6	0	0	0	109.5	F119 V120 E122 I127 E175 Q178 A179 M182	L76-F119 HydrophobicContact CD1-CB 4.16Å; L76-F119 HydrophobicContact CD2-CD1 3.86Å; L76-F119 HydrophobicContact CG-CB 4.48Å; L76-F119 HydrophobicContact CG-CD1 4.35Å; L76-V120 PolarHBondContact N-O 3.25Å; L76-E122 WeakPolarHBondContact O-CG 3.48Å; L76-E122 PolarHBondContact O-N 3.39Å; L76-I127 HydrophobicContact CD1-CG2 3.6Å; L76-E175 HydrophobicContact CD1-CB 4.21Å; L76-E175 VanDerWaalsContact CD1-O 3.29Å; L76-E175 WeakPolarHBondContact CD1-O 3.28Å; L76-Q178 HydrophobicContact CD1-CB 4.37Å; L76-Q178 HydrophobicContact CD2-CB 4.49Å; L76-A179 HydrophobicContact CD1-CB 4.15Å; L76-A179 HydrophobicContact CD2-CB 4.39Å; L76-M182 HydrophobicContact CD2-CG 4.42Å; L76-M182 HydrophobicContact CD2-SD 3.34Å; L76-M182 WeakPolarHBondContact CD2-SD 3.37Å
77	P	89.5	Confident	83	Confident	51 Å²	51	78 Å²	78	33%	0.331	42%	0.418	S	S	.	.			trans	-56	149	168.3	-25.1	31.7	0	0	0	112.2	R75 S79 S80 E122	R75-P77 VanDerWaalsContact O-CD 3.23Å; R75-P77 WeakPolarHBondContact O-CD 3.27Å; P77-S79 PolarHBondContact O-N 3.26Å; P77-S80 WeakPolarHBondContact CD-OG 3.42Å; P77-S80 WeakPolarHBondContact O-CB 3.48Å; P77-S80 PolarHBondContact O-N 3.1Å; P77-S80 PolarHBondContact O-OG 3.38Å; P77-E122 WeakPolarHBondContact CA-OE1 3.43Å
78	A	85.6	Confident	84.7	Confident	49 Å²	49	80.1 Å²	80.1	41%	0.405	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-25.8	175.2	0	0	0	0	0	112.1	S80 E122 R174 Q178	A78-S80 VanDerWaalsContact C-N 3.31Å; A78-E122 WeakPolarHBondContact CB-OE1 3.37Å; A78-E122 VanDerWaalsContact N-CD 3.25Å; A78-E122 PolarHBondContact N-OE1 2.95Å; A78-R174 PolarHBondContact O-NH2 3.19Å; A78-Q178 PolarHBondContact O-NE2 2.87Å
79	S	89.2	Confident	86.2	Confident	110 Å²	110	80.9 Å²	80.9	77%	0.769	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-0.8	174	58.7	0	0	0	0	114.6	P77	P77-S79 PolarHBondContact O-N 3.26Å
80	S	89.7	Confident	87.6	Confident	11 Å²	11	74.4 Å²	74.4	8%	0.077	40%	0.403	C	S	.	.	S	Bend	trans	-59.9	140.9	178.6	-57.4	0	0	0	0	110.8	P77 A78 Q178	P77-S80 WeakPolarHBondContact CD-OG 3.42Å; P77-S80 WeakPolarHBondContact O-CB 3.48Å; P77-S80 PolarHBondContact O-N 3.1Å; P77-S80 PolarHBondContact O-OG 3.38Å; A78-S80 VanDerWaalsContact C-N 3.31Å; S80-Q178 PolarHBondContact O-NE2 2.92Å
81	P	92.6	Very high	88.6	Confident	82 Å²	82	72.9 Å²	72.9	53%	0.532	39%	0.387	S	S	.	.			trans	-59.4	147.7	-179	26.2	-34.6	0	0	0	110.8	A181	P81-A181 HydrophobicContact CB-CB 4.31Å; P81-A181 HydrophobicContact CG-CB 4Å; P81-A181 WeakPolarHBondContact O-CB 3.49Å
82	I	92.9	Very high	88.9	Confident	82 Å²	82	73.6 Å²	73.6	42%	0.421	39%	0.388	S	S	.	.			trans	-117.5	130.1	175.8	-58.8	173.4	0	0	0	106.8	R174 A177 Q178 P212	I82-R174 HydrophobicContact CD1-CG 4Å; I82-A177 HydrophobicContact CG2-CB 4.09Å; I82-Q178 HydrophobicContact CD1-CG 4.46Å; I82-Q178 HydrophobicContact CG1-CG 3.7Å; I82-P212 HydrophobicContact CG2-CB 4.43Å; I82-P212 HydrophobicContact CG2-CG 4.4Å
83	P	93.1	Very high	88.8	Confident	9 Å²	9	77.3 Å²	77.3	6%	0.058	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-54.1	153.9	171.6	-26.9	36.6	0	0	0	112.1	A177 A181 P212 D214	P83-A177 WeakPolarHBondContact CD-O 3.38Å; P83-A177 HydrophobicContact CG-CB 4.47Å; P83-A177 WeakPolarHBondContact CG-O 3.36Å; P83-A181 HydrophobicContact CG-CB 4.01Å; P83-P212 HydrophobicContact CB-CB 4.04Å; P83-P212 WeakPolarHBondContact O-CB 3.35Å; P83-D214 WeakPolarHBondContact CA-OD1 3.41Å; P83-D214 WeakPolarHBondContact CB-OD2 3.46Å
84	E	92.4	Very high	88.8	Confident	149 Å²	149	76.3 Å²	76.3	70%	0.696	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-66.5	158	164.9	-68.2	-179	-175.6	0	0	110.4	R213 D214	E84-R213 PolarHBondContact O-N 2.96Å; E84-D214 PolarHBondContact N-OD1 2.88Å; E84-D214 PolarHBondContact O-N 3.03Å
85	R	87.6	Confident	88.9	Confident	221 Å²	221	74.5 Å²	74.5	83%	0.834	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-62.3	143.9	170.6	-75	-172.2	177.2	-175.1	-0.9	109.1	D87	R85-D87 PolarHBondContact O-N 3.32Å
86	G	80.4	Confident	89.1	Confident	21 Å²	21	66.9 Å²	66.9	22%	0.216	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-56.3	126.9	-176.1	0	0	0	0	0	112.6	L88 D214	G86-L88 PolarHBondContact O-N 2.93Å; G86-D214 WeakPolarHBondContact CA-O 3.4Å
87	D	85.3	Confident	89.1	Confident	70 Å²	70	69.3 Å²	69.3	37%	0.374	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-77.3	119.9	179.1	-176.9	-2.8	0	0	0	110.8	R85 S89 C90 R229	R85-D87 PolarHBondContact O-N 3.32Å; D87-S89 VanDerWaalsContact C-N 3.28Å; D87-S89 PolarHBondContact O-N 3.27Å; D87-S89 WeakPolarHBondContact OD1-CA 3.37Å; D87-S89 VanDerWaalsContact OD1-CB 3.25Å; D87-S89 WeakPolarHBondContact OD1-CB 3.17Å; D87-S89 PolarHBondContact OD1-N 3.43Å; D87-S89 PolarHBondContact OD1-OG 2.85Å; D87-S89 PolarHBondContact OD2-OG 3.27Å; D87-C90 WeakPolarHBondContact O-CB 3.22Å; D87-C90 PolarHBondContact O-N 2.8Å; D87-R229 WeakPolarHBondContact O-CD 3.48Å; D87-R229 PolarHBondContact O-NH1 3.49Å
88	L	88.1	Confident	89.2	Confident	97 Å²	97	70 Å²	70	51%	0.508	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-17.3	178.8	-64.3	177.7	0	0	0	113	G86 C90 R91 R229	G86-L88 PolarHBondContact O-N 2.93Å; L88-C90 PolarHBondContact O-N 2.94Å; L88-R91 PolarHBondContact O-NH1 2.83Å; L88-R229 HydrophobicContact CD2-CG 4.35Å
89	S	88.1	Confident	89.2	Confident	73 Å²	73	77.8 Å²	77.8	51%	0.51	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-9.7	175.1	81.4	0	0	0	0	113.1	D87 R91	D87-S89 VanDerWaalsContact C-N 3.28Å; D87-S89 PolarHBondContact O-N 3.27Å; D87-S89 WeakPolarHBondContact OD1-CA 3.37Å; D87-S89 VanDerWaalsContact OD1-CB 3.25Å; D87-S89 WeakPolarHBondContact OD1-CB 3.17Å; D87-S89 PolarHBondContact OD1-N 3.43Å; D87-S89 PolarHBondContact OD1-OG 2.85Å; D87-S89 PolarHBondContact OD2-OG 3.27Å; S89-R91 PolarHBondContact O-N 3.05Å; S89-R91 PolarHBondContact O-NH1 2.95Å
90	C	88.5	Confident	89.2	Confident	0 Å²	0	75.6 Å²	75.6	0%	0	37%	0.37	C	S	.	.			trans	-59.1	134.7	-179.4	-81.2	0	0	0	0	113.3	D87 L88 C95 Y232	D87-C90 WeakPolarHBondContact O-CB 3.22Å; D87-C90 PolarHBondContact O-N 2.8Å; L88-C90 PolarHBondContact O-N 2.94Å; C90-C95 WeakPolarHBondContact CA-SG 3.38Å; C90-C95 HydrophobicContact CB-CB 3.51Å; C90-C95 WeakPolarHBondContact CB-SG 3.39Å; C90-C95 WeakPolarHBondContact SG-CB 3.24Å; C90-C95 CovalentContact SG-SG 2.04Å; C90-C95 PolarHBondContact SG-SG 3.39Å; C90-Y232 HydrophobicContact CB-CD1 4.02Å; C90-Y232 HydrophobicContact CB-CE1 3.85Å; C90-Y232 HydrophobicContact CB-CE2 4.47Å; C90-Y232 HydrophobicContact CB-CG 4.42Å
91	R	88.4	Confident	89.1	Confident	100 Å²	100	75.5 Å²	75.5	38%	0.377	37%	0.369	S	S	.	.			trans	-136	166.1	175	-60.9	-63.2	-178.8	-87.3	-0.2	109	L88 S89 H93 T94 C95 Y232	L88-R91 PolarHBondContact O-NH1 2.83Å; S89-R91 PolarHBondContact O-N 3.05Å; S89-R91 PolarHBondContact O-NH1 2.95Å; R91-H93 VanDerWaalsContact CB-CE1 3.49Å; R91-H93 WeakPolarHBondContact CB-CE1 3.5Å; R91-H93 PolarHBondContact O-N 3.39Å; R91-H93 VanDerWaalsContact O-N 3.09Å; R91-T94 PolarHBondContact N-OG1 3.23Å; R91-T94 PolarHBondContact O-N 2.97Å; R91-T94 PolarHBondContact O-OG1 3.01Å; R91-C95 PolarHBondContact O-N 3.49Å; R91-Y232 WeakPolarHBondContact O-CE2 3.48Å
92	M	86.7	Confident	88	Confident	31 Å²	31	73.8 Å²	73.8	15%	0.153	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-23.4	-177.9	-161.4	64.5	169	0	0	113.4	F96 R423 I424	M92-F96 HydrophobicContact CE-CD1 3.41Å; M92-F96 VanDerWaalsContact CE-CD1 3.41Å; M92-F96 HydrophobicContact CE-CD2 4.24Å; M92-F96 HydrophobicContact CE-CE1 3.44Å; M92-F96 VanDerWaalsContact CE-CE1 3.44Å; M92-F96 HydrophobicContact CE-CE2 4.24Å; M92-F96 HydrophobicContact CE-CG 3.83Å; M92-F96 HydrophobicContact CE-CZ 3.87Å; M92-F96 HydrophobicContact CG-CD1 4.47Å; M92-F96 WeakPolarHBondContact O-CB 3.22Å; M92-F96 HydrophobicContact SD-CB 3.73Å; M92-F96 HydrophobicContact SD-CD1 3.7Å; M92-F96 HydrophobicContact SD-CD2 4.1Å; M92-F96 HydrophobicContact SD-CE1 4.31Å; M92-F96 HydrophobicContact SD-CG 3.57Å; M92-F96 VanDerWaalsContact SD-CG 3.57Å; M92-R423 HydrophobicContact CE-CB 4.43Å; M92-I424 HydrophobicContact CE-CD1 3.9Å; M92-I424 HydrophobicContact CE-CG1 3.52Å
93	H	84.4	Confident	86.6	Confident	158 Å²	158	78.8 Å²	78.8	73%	0.731	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	-9.6	178.2	59.2	-87.6	0	0	0	114	R91	R91-H93 VanDerWaalsContact CB-CE1 3.49Å; R91-H93 WeakPolarHBondContact CB-CE1 3.5Å; R91-H93 PolarHBondContact O-N 3.39Å; R91-H93 VanDerWaalsContact O-N 3.09Å
94	T	87.8	Confident	85.5	Confident	72 Å²	72	80 Å²	80	44%	0.442	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.4	-35.7	-177.3	56.6	0	0	0	0	113.6	R91	R91-T94 PolarHBondContact N-OG1 3.23Å; R91-T94 PolarHBondContact O-N 2.97Å; R91-T94 PolarHBondContact O-OG1 3.01Å
95	C	93.6	Very high	84.3	Confident	5 Å²	5	78.2 Å²	78.2	3%	0.034	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.5	-4.4	-172	-69.7	0	0	0	0	114.1	C90 R91 R215 Y232	C90-C95 WeakPolarHBondContact CA-SG 3.38Å; C90-C95 HydrophobicContact CB-CB 3.51Å; C90-C95 WeakPolarHBondContact CB-SG 3.39Å; C90-C95 WeakPolarHBondContact SG-CB 3.24Å; C90-C95 CovalentContact SG-SG 2.04Å; C90-C95 PolarHBondContact SG-SG 3.39Å; R91-C95 PolarHBondContact O-N 3.49Å; C95-R215 HydrophobicContact CB-CB 4.08Å; C95-R215 HydrophobicContact CB-CG 4.27Å; C95-Y232 HydrophobicContact CB-CE2 3.81Å; C95-Y232 VanDerWaalsContact CB-OH 3.26Å; C95-Y232 WeakPolarHBondContact CB-OH 3.48Å; C95-Y232 PolarHBondContact O-OH 2.92Å; C95-Y232 VanDerWaalsContact O-OH 3.13Å
96	F	94.8	Very high	84	Confident	11 Å²	11	75.3 Å²	75.3	5%	0.048	38%	0.382	C	S	.	.			trans	-117.4	134.1	177.8	-172.5	-92	0	0	0	110.4	M92 V98 L158 N191 L217 Y232 I424	M92-F96 HydrophobicContact CE-CD1 3.41Å; M92-F96 VanDerWaalsContact CE-CD1 3.41Å; M92-F96 HydrophobicContact CE-CD2 4.24Å; M92-F96 HydrophobicContact CE-CE1 3.44Å; M92-F96 VanDerWaalsContact CE-CE1 3.44Å; M92-F96 HydrophobicContact CE-CE2 4.24Å; M92-F96 HydrophobicContact CE-CG 3.83Å; M92-F96 HydrophobicContact CE-CZ 3.87Å; M92-F96 HydrophobicContact CG-CD1 4.47Å; M92-F96 WeakPolarHBondContact O-CB 3.22Å; M92-F96 HydrophobicContact SD-CB 3.73Å; M92-F96 HydrophobicContact SD-CD1 3.7Å; M92-F96 HydrophobicContact SD-CD2 4.1Å; M92-F96 HydrophobicContact SD-CE1 4.31Å; M92-F96 HydrophobicContact SD-CG 3.57Å; M92-F96 VanDerWaalsContact SD-CG 3.57Å; F96-V98 HydrophobicContact CD1-CB 4.48Å; F96-V98 HydrophobicContact CD1-CG2 3.72Å; F96-V98 HydrophobicContact CE1-CG2 4.19Å; F96-V98 PolarHBondContact O-N 3.27Å; F96-L158 HydrophobicContact CE2-CD2 3.44Å; F96-L158 VanDerWaalsContact CE2-CD2 3.44Å; F96-L158 HydrophobicContact CZ-CD2 3.76Å; F96-N191 HydrophobicContact CD2-CB 4.45Å; F96-N191 HydrophobicContact CE2-CB 4.05Å; F96-L217 HydrophobicContact CD2-CD1 3.84Å; F96-L217 HydrophobicContact CD2-CD2 4.46Å; F96-L217 HydrophobicContact CE2-CD1 4.03Å; F96-Y232 HydrophobicContact CB-CE2 3.94Å; F96-I424 HydrophobicContact CE1-CD1 3.87Å; F96-I424 HydrophobicContact CE1-CG1 4.25Å; F96-I424 HydrophobicContact CZ-CD1 3.84Å
97	D	93.2	Very high	84.2	Confident	54 Å²	54	76.1 Å²	76.1	29%	0.289	38%	0.381	S	S	.	.			trans	-93	95.6	175.9	-174	-4.6	0	0	0	110.1	Y99 R100 N191	D97-Y99 PolarHBondContact O-N 2.93Å; D97-Y99 WeakPolarHBondContact OD1-CB 3.43Å; D97-Y99 WeakPolarHBondContact OD1-CD2 3.43Å; D97-Y99 PolarHBondContact OD1-N 3.41Å; D97-R100 HydrophobicContact CB-CG 4.17Å; D97-R100 PolarHBondContact O-N 3.37Å; D97-R100 WeakPolarHBondContact OD2-CG 3.16Å; D97-N191 PolarHBondContact N-OD1 2.85Å; D97-N191 PolarHBondContact O-ND2 3.4Å
98	V	89.8	Confident	84.5	Confident	64 Å²	64	75.3 Å²	75.3	39%	0.388	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-66.6	-25.4	178	-177.6	0	0	0	0	111.7	F96 R100 C101	F96-V98 HydrophobicContact CD1-CB 4.48Å; F96-V98 HydrophobicContact CD1-CG2 3.72Å; F96-V98 HydrophobicContact CE1-CG2 4.19Å; F96-V98 PolarHBondContact O-N 3.27Å; V98-R100 PolarHBondContact O-N 3.2Å; V98-C101 WeakPolarHBondContact O-CB 3.44Å; V98-C101 PolarHBondContact O-N 2.74Å
99	Y	87.6	Confident	84.8	Confident	214 Å²	214	70.7 Å²	70.7	84%	0.839	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-69.6	-22.1	-176.7	-59.7	-76.3	0	0	0	112.7	D97 C101	D97-Y99 PolarHBondContact O-N 2.93Å; D97-Y99 WeakPolarHBondContact OD1-CB 3.43Å; D97-Y99 WeakPolarHBondContact OD1-CD2 3.43Å; D97-Y99 PolarHBondContact OD1-N 3.41Å; Y99-C101 PolarHBondContact O-N 3.09Å
100	R	87.8	Confident	85.1	Confident	64 Å²	64	70.1 Å²	70.1	24%	0.242	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-69.9	-20.1	171.3	-61.5	-175.2	75.6	-176.4	1.9	113	D97 V98 G102 F159	D97-R100 HydrophobicContact CB-CG 4.17Å; D97-R100 PolarHBondContact O-N 3.37Å; D97-R100 WeakPolarHBondContact OD2-CG 3.16Å; V98-R100 PolarHBondContact O-N 3.2Å; R100-G102 PolarHBondContact O-N 2.98Å; R100-G102 VanDerWaalsContact O-N 3.16Å; R100-F159 VanDerWaalsContact CZ-CE2 3.42Å
101	C	88.1	Confident	85.5	Confident	8 Å²	8	70.1 Å²	70.1	5%	0.054	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-89.8	37.9	-179.9	-50.3	0	0	0	0	111.3	V98 Y99 C157 I424 Y425	V98-C101 WeakPolarHBondContact O-CB 3.44Å; V98-C101 PolarHBondContact O-N 2.74Å; Y99-C101 PolarHBondContact O-N 3.09Å; C101-C157 HydrophobicContact CB-CB 3.66Å; C101-C157 WeakPolarHBondContact CB-SG 3.2Å; C101-C157 WeakPolarHBondContact SG-CB 3.27Å; C101-C157 CovalentContact SG-SG 2.03Å; C101-C157 PolarHBondContact SG-SG 3.47Å; C101-I424 HydrophobicContact CB-CD1 4.29Å; C101-I424 HydrophobicContact CB-CG2 3.82Å; C101-Y425 PolarHBondContact O-OH 3.3Å
102	G	70.1	Confident	85.9	Confident	46 Å²	46	67.5 Å²	67.5	47%	0.474	33%	0.329	S	S	.	.			trans	-44.8	156.4	-168.3	0	0	0	0	0	115.2	R100 N104 Y425	R100-G102 PolarHBondContact O-N 2.98Å; R100-G102 VanDerWaalsContact O-N 3.16Å; G102-N104 PolarHBondContact O-N 3.31Å; G102-Y425 PolarHBondContact O-OH 2.96Å
103	Y	62.3	Low	86.4	Confident	188 Å²	188	66.8 Å²	66.8	74%	0.737	33%	0.326	S	S	*	.			trans	-53.3	114.1	-174.3	-178.1	-97.3	0	0	0	112.1
104	N	70.2	Confident	86.9	Confident	34 Å²	34	60 Å²	60	18%	0.182	29%	0.294	C	S	.	.			trans	-108.9	131.7	173.8	177	-9.7	0	0	0	107.9	G102 K106 N107 K108	G102-N104 PolarHBondContact O-N 3.31Å; N104-K106 PolarHBondContact O-N 3.04Å; N104-K106 PolarHBondContact OD1-N 3.18Å; N104-N107 PolarHBondContact O-N 3.33Å; N104-N107 PolarHBondContact O-OD1 3.31Å; N104-K108 PolarHBondContact ND2-O 2.92Å
105	P	67.2	Low	87	Confident	111 Å²	111	59.5 Å²	59.5	72%	0.721	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-17.2	177.4	21.3	-33.9	0	0	0	114.5
106	K	81	Confident	86.7	Confident	161 Å²	161	61.6 Å²	61.6	70%	0.7	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	0.7	175.5	-63	-171.6	178.3	-176.3	0	114.7	N104 K108	N104-K106 PolarHBondContact O-N 3.04Å; N104-K106 PolarHBondContact OD1-N 3.18Å; K106-K108 HydrophobicContact CB-CB 4.41Å; K106-K108 PolarHBondContact O-N 3.17Å; K106-K108 VanDerWaalsContact O-N 3.15Å
107	N	85.3	Confident	86.4	Confident	38 Å²	38	63.4 Å²	63.4	20%	0.203	32%	0.316	C	S	.	.			trans	48.6	41	-176.3	-49.9	-29.4	0	0	0	112.5	N104 N421 Y425 Y427 A428	N104-N107 PolarHBondContact O-N 3.33Å; N104-N107 PolarHBondContact O-OD1 3.31Å; N107-N421 PolarHBondContact O-ND2 3.02Å; N107-N421 PolarHBondContact O-OD1 3.17Å; N107-Y425 VanDerWaalsContact C-CD2 3.49Å; N107-Y425 HydrophobicContact CB-CD1 4.25Å; N107-Y425 HydrophobicContact CB-CD2 4.48Å; N107-Y425 HydrophobicContact CB-CG 4.09Å; N107-Y425 VanDerWaalsContact O-CD2 3.22Å; N107-Y425 WeakPolarHBondContact O-CD2 3.49Å; N107-Y427 HydrophobicContact CB-CE2 4.46Å; N107-Y427 VanDerWaalsContact CG-OH 3.28Å; N107-Y427 WeakPolarHBondContact ND2-CE2 3.46Å; N107-Y427 PolarHBondContact OD1-OH 3.04Å; N107-A428 HydrophobicContact CB-CB 3.81Å
108	K	90.8	Very high	86.2	Confident	52 Å²	52	65.5 Å²	65.5	23%	0.226	32%	0.32	C	S	.	.			trans	-129.3	124.8	-174.8	-164.8	175.6	-76	-170.7	0	110.3	N104 K106 D147 F148 N421	N104-K108 PolarHBondContact ND2-O 2.92Å; K106-K108 HydrophobicContact CB-CB 4.41Å; K106-K108 PolarHBondContact O-N 3.17Å; K106-K108 VanDerWaalsContact O-N 3.15Å; K108-D147 HydrophobicContact CD-CB 3.62Å; K108-D147 IonicContact NZ-OD2 2.93Å; K108-D147 PolarHBondContact NZ-OD2 2.97Å; K108-F148 HydrophobicContact CD-CD1 4.03Å; K108-F148 HydrophobicContact CD-CE1 3.96Å; K108-F148 HydrophobicContact CD-CG 4.48Å; K108-F148 HydrophobicContact CD-CZ 4.35Å; K108-F148 HydrophobicContact CG-CD1 3.7Å; K108-F148 HydrophobicContact CG-CE1 3.56Å; K108-F148 HydrophobicContact CG-CZ 4.36Å; K108-N421 WeakPolarHBondContact CA-OD1 3.18Å
109	I	94.8	Very high	86.3	Confident	1 Å²	1	63.1 Å²	63.1	1%	0.005	30%	0.304	C	S	.	.			trans	-64.5	154.3	176.4	63.9	177.6	0	0	0	111.2	F148 C157 L158 I420 N421 I424 Y425	I109-F148 HydrophobicContact CG1-CD1 3.71Å; I109-F148 HydrophobicContact CG1-CE1 3.97Å; I109-C157 HydrophobicContact CB-CB 4.04Å; I109-C157 HydrophobicContact CG2-CB 4.4Å; I109-L158 HydrophobicContact CD1-CD1 3.58Å; I109-L158 HydrophobicContact CD1-CG 4.24Å; I109-I420 HydrophobicContact CD1-CB 4.4Å; I109-I420 HydrophobicContact CD1-CG2 4.15Å; I109-N421 HydrophobicContact CD1-CB 4.28Å; I109-N421 HydrophobicContact CG1-CB 4.22Å; I109-N421 PolarHBondContact N-OD1 2.83Å; I109-I424 HydrophobicContact CG2-CB 4.19Å; I109-I424 HydrophobicContact CG2-CD1 3.56Å; I109-I424 HydrophobicContact CG2-CG1 4.48Å; I109-I424 HydrophobicContact CG2-CG2 4.11Å; I109-Y425 HydrophobicContact CG2-CD2 4.32Å; I109-Y425 HydrophobicContact CG2-CE2 3.68Å
110	K	95.4	Very high	86.6	Confident	60 Å²	60	53.4 Å²	53.4	26%	0.261	27%	0.267	S	S	.	.			trans	-110.7	138.9	174.2	-69.9	-55	-161.4	167.7	0	111.7	D147 F148 Y149 T150 R155 C157 L158	K110-D147 PolarHBondContact NZ-O 2.99Å; K110-F148 CarbonylContact C-O 3.56Å; K110-F148 VanDerWaalsContact CA-O 3.26Å; K110-F148 WeakPolarHBondContact CA-O 3.38Å; K110-Y149 PolarHBondContact NZ-O 3.19Å; K110-T150 HydrophobicContact CB-CG2 3.82Å; K110-R155 WeakPolarHBondContact CB-O 3.47Å; K110-C157 WeakPolarHBondContact O-CA 3.35Å; K110-C157 VanDerWaalsContact O-CB 3.32Å; K110-C157 WeakPolarHBondContact O-CB 3.4Å; K110-C157 PolarHBondContact O-N 3.18Å; K110-L158 PolarHBondContact O-N 3.06Å; K110-L158 VanDerWaalsContact O-N 3.07Å
111	V	97.1	Very high	86.7	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	123.7	-171.5	-176.5	0	0	0	0	108.3	I143 F148 Y149 T150 L158 I160 L417	V111-I143 HydrophobicContact CB-CG2 4.45Å; V111-I143 HydrophobicContact CG1-CG2 4.11Å; V111-F148 HydrophobicContact CG2-CB 3.91Å; V111-F148 PolarHBondContact N-O 3.02Å; V111-Y149 WeakPolarHBondContact O-CA 3.39Å; V111-T150 PolarHBondContact O-N 3.18Å; V111-L158 WeakPolarHBondContact CA-O 3.48Å; V111-L158 HydrophobicContact CG1-CB 4.36Å; V111-L158 HydrophobicContact CG2-CB 4.18Å; V111-L158 HydrophobicContact CG2-CD1 4.34Å; V111-I160 HydrophobicContact CG1-CD1 3.5Å; V111-I160 VanDerWaalsContact CG1-CD1 3.5Å; V111-I160 HydrophobicContact CG1-CG1 3.79Å; V111-L417 HydrophobicContact CG2-CD1 4.18Å; V111-L417 HydrophobicContact CG2-CD2 3.94Å
112	Y	96.8	Very high	86.8	Confident	46 Å²	46	55.5 Å²	55.5	18%	0.18	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	130.6	172.8	178.6	-94	0	0	0	109.8	Y114 D151 V153 A156 L158 F159 I160	Y112-Y114 HydrophobicContact CE1-CD1 4.26Å; Y112-Y114 HydrophobicContact CE1-CG 4.34Å; Y112-D151 WeakPolarHBondContact CE2-O 2.79Å; Y112-V153 HydrophobicContact CD1-CG2 4.31Å; Y112-V153 HydrophobicContact CD2-CB 4.49Å; Y112-V153 HydrophobicContact CD2-CG2 3.74Å; Y112-V153 HydrophobicContact CE1-CG2 3.94Å; Y112-V153 HydrophobicContact CE2-CB 4.49Å; Y112-V153 HydrophobicContact CE2-CG2 3.33Å; Y112-V153 HydrophobicContact CG-CG2 4.2Å; Y112-V153 VanDerWaalsContact CZ-CG2 3.44Å; Y112-A156 VanDerWaalsContact CB-CB 3.47Å; Y112-L158 PolarHBondContact N-O 2.99Å; Y112-F159 AromaticContact CD1-CD1 3.92Å; Y112-F159 HydrophobicContact CD1-CD1 3.92Å; Y112-F159 HydrophobicContact CD1-CE1 4.22Å; Y112-F159 HydrophobicContact CG-CD1 4.41Å; Y112-F159 HydrophobicContact CG-CE1 4.42Å; Y112-F159 WeakPolarHBondContact O-CA 3.21Å; Y112-I160 PolarHBondContact O-N 2.73Å
113	I	96.8	Very high	87.8	Confident	16 Å²	16	61.6 Å²	61.6	8%	0.082	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	128.2	173.5	-60	166.9	0	0	0	106.9	L140 I143 Y149 I160	I113-L140 WeakPolarHBondContact CD1-O 3.49Å; I113-L140 HydrophobicContact CG2-CD2 3.96Å; I113-I143 HydrophobicContact CD1-CB 4.14Å; I113-I143 HydrophobicContact CD1-CG2 3.96Å; I113-I143 HydrophobicContact CG1-CG2 4.39Å; I113-Y149 HydrophobicContact CB-CE2 4.48Å; I113-Y149 HydrophobicContact CD1-CD2 4.07Å; I113-Y149 HydrophobicContact CD1-CE2 4.25Å; I113-Y149 HydrophobicContact CG1-CD2 4.38Å; I113-Y149 HydrophobicContact CG1-CE2 4.45Å; I113-I160 WeakPolarHBondContact CA-O 3.1Å
114	Y	94.3	Very high	89.1	Confident	15 Å²	15	54.6 Å²	54.6	6%	0.059	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-61.7	155.7	175.5	-78.4	-88.6	0	0	0	111.2	Y112 F159 I160 P161 S162 L183 R185 H192	Y112-Y114 HydrophobicContact CE1-CD1 4.26Å; Y112-Y114 HydrophobicContact CE1-CG 4.34Å; Y114-F159 HydrophobicContact CE2-CB 3.86Å; Y114-F159 HydrophobicContact CE2-CD1 4.39Å; Y114-I160 PolarHBondContact N-O 3.42Å; Y114-P161 HydrophobicContact CD2-CB 4.5Å; Y114-S162 PolarHBondContact O-OG 2.73Å; Y114-L183 HydrophobicContact CD1-CD2 4.11Å; Y114-L183 HydrophobicContact CD2-CD1 4.45Å; Y114-L183 HydrophobicContact CE1-CB 4.02Å; Y114-L183 HydrophobicContact CE1-CD2 4.36Å; Y114-L183 HydrophobicContact CE2-CD1 4.21Å; Y114-L183 HydrophobicContact CG-CD2 4.29Å; Y114-R185 WeakPolarHBondContact OH-CB 3.34Å; Y114-H192 AromaticContact CE2-CD2 3.89Å; Y114-H192 AromaticContact CE2-NE2 3.6Å; Y114-H192 AromaticContact CZ-NE2 3.67Å; Y114-H192 PolarHBondContact OH-NE2 3.45Å
115	A	89.5	Confident	90.1	Very high	61 Å²	61	56.3 Å²	56.3	50%	0.504	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-65.1	146.5	171.7	0	0	0	0	0	110.3	Q117	A115-Q117 PolarHBondContact O-N 2.69Å
116	L	88.8	Confident	91.3	Very high	50 Å²	50	54.2 Å²	54.2	26%	0.262	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-63.2	127.6	176.9	-173	67.2	0	0	0	110.1	V68 A71 P72 L132	V68-L116 HydrophobicContact CB-CD2 4.48Å; V68-L116 HydrophobicContact CG2-CD2 4.18Å; A71-L116 HydrophobicContact CB-CB 4.34Å; A71-L116 HydrophobicContact CB-CD2 4Å; A71-L116 HydrophobicContact CB-CG 3.92Å; P72-L116 WeakPolarHBondContact CD-O 3.21Å; L116-L132 HydrophobicContact CD1-CD1 4.18Å; L116-L132 HydrophobicContact CD1-CD2 4.14Å
117	Q	88.2	Confident	91.8	Very high	48 Å²	48	47.2 Å²	47.2	22%	0.224	25%	0.246	C	C	.	.			trans	-135.5	142.3	-178.6	-69.8	175.1	-9.3	0	0	109.8	P72 I74 A115 F119	P72-Q117 HydrophobicContact CG-CG 4.23Å; I74-Q117 HydrophobicContact CD1-CB 4.13Å; I74-Q117 VanDerWaalsContact CD1-CD 3.4Å; I74-Q117 HydrophobicContact CD1-CG 3.98Å; I74-Q117 VanDerWaalsContact CD1-OE1 3.23Å; A115-Q117 PolarHBondContact O-N 2.69Å; Q117-F119 HydrophobicContact CB-CD2 4.41Å; Q117-F119 HydrophobicContact CB-CE2 3.7Å; Q117-F119 HydrophobicContact CB-CZ 3.87Å
118	R	89.1	Confident	92	Very high	99 Å²	99	46 Å²	46	37%	0.374	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	114.3	176	-64.5	177.1	70.8	177.9	-4.8	109.6	V68 H69 A71 P72 L73 I74	V68-R118 VanDerWaalsContact O-CD 3.28Å; V68-R118 WeakPolarHBondContact O-CD 3.49Å; H69-R118 PolarHBondContact O-NH1 2.85Å; A71-R118 HydrophobicContact CB-CG 4.05Å; P72-R118 PolarHBondContact O-N 3.04Å; L73-R118 CarbonylContact C-O 3.47Å; L73-R118 WeakPolarHBondContact CA-O 3.41Å; L73-R118 HydrophobicContact CD1-CB 3.92Å; I74-R118 PolarHBondContact N-O 2.93Å
119	F	91.4	Very high	91.5	Very high	13 Å²	13	48.1 Å²	48.1	6%	0.057	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	129.6	178.1	-62.1	-85.3	0	0	0	111.2	I74 L76 Q117 I127 I163 A179 L183	I74-F119 HydrophobicContact CB-CD1 3.88Å; I74-F119 HydrophobicContact CB-CE1 4.01Å; I74-F119 HydrophobicContact CD1-CE1 3.93Å; I74-F119 HydrophobicContact CD1-CZ 4.3Å; I74-F119 HydrophobicContact CG1-CE1 4.49Å; I74-F119 HydrophobicContact CG2-CD1 3.97Å; I74-F119 HydrophobicContact CG2-CE1 3.98Å; I74-F119 WeakPolarHBondContact O-CA 3.49Å; L76-F119 HydrophobicContact CD1-CB 4.16Å; L76-F119 HydrophobicContact CD2-CD1 3.86Å; L76-F119 HydrophobicContact CG-CB 4.48Å; L76-F119 HydrophobicContact CG-CD1 4.35Å; Q117-F119 HydrophobicContact CB-CD2 4.41Å; Q117-F119 HydrophobicContact CB-CE2 3.7Å; Q117-F119 HydrophobicContact CB-CZ 3.87Å; F119-I127 HydrophobicContact CB-CD1 3.76Å; F119-I127 HydrophobicContact CB-CG1 4.01Å; F119-I127 HydrophobicContact CB-CG2 3.77Å; F119-I127 HydrophobicContact CD2-CD1 4.15Å; F119-I127 HydrophobicContact CG-CD1 4.27Å; F119-I127 PolarHBondContact O-N 2.76Å; F119-I163 HydrophobicContact CD2-CD1 4.23Å; F119-I163 HydrophobicContact CD2-CG1 4.3Å; F119-I163 HydrophobicContact CE2-CD1 3.72Å; F119-I163 HydrophobicContact CE2-CG1 3.84Å; F119-I163 HydrophobicContact CZ-CD1 4.22Å; F119-A179 HydrophobicContact CB-CB 4.16Å; F119-A179 HydrophobicContact CD1-CB 3.72Å; F119-A179 HydrophobicContact CD2-CB 4Å; F119-A179 HydrophobicContact CE1-CB 4.03Å; F119-A179 HydrophobicContact CE2-CB 4.31Å; F119-A179 HydrophobicContact CG-CB 3.69Å; F119-A179 HydrophobicContact CZ-CB 4.31Å; F119-L183 HydrophobicContact CZ-CD2 4.35Å
120	V	92.9	Very high	90.6	Very high	11 Å²	11	52.8 Å²	52.8	7%	0.067	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	152.6	172.8	-64.6	0	0	0	0	109.8	L73 I74 R75 L76 V125	L73-V120 HydrophobicContact CD1-CB 4.43Å; L73-V120 HydrophobicContact CD1-CG1 3.68Å; L73-V120 HydrophobicContact CD1-CG2 3.87Å; L73-V120 HydrophobicContact CD2-CG2 4.26Å; L73-V120 HydrophobicContact CG-CG2 4.06Å; I74-V120 PolarHBondContact O-N 2.79Å; R75-V120 CarbonylContact C-O 3.54Å; R75-V120 WeakPolarHBondContact CA-O 3.38Å; R75-V120 HydrophobicContact CG-CG2 3.87Å; L76-V120 PolarHBondContact N-O 3.25Å; V120-V125 CarbonylContact C-O 3.55Å; V120-V125 VanDerWaalsContact CA-O 3.3Å; V120-V125 WeakPolarHBondContact CA-O 3.46Å
121	D	91.8	Very high	90	Very high	13 Å²	13	51.5 Å²	51.5	7%	0.07	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	-176.7	172.3	70.9	7.3	0	0	0	112.6	F123 G124 V125 R172 E175	D121-F123 PolarHBondContact O-N 3.21Å; D121-F123 VanDerWaalsContact O-N 3.14Å; D121-F123 WeakPolarHBondContact OD1-CA 3.5Å; D121-F123 PolarHBondContact OD1-N 3.35Å; D121-G124 PolarHBondContact O-N 2.66Å; D121-G124 PolarHBondContact OD1-N 3.49Å; D121-V125 PolarHBondContact N-O 2.52Å; D121-V125 WeakPolarHBondContact OD1-CB 3.24Å; D121-V125 PolarHBondContact OD1-N 2.85Å; D121-R172 IonicContact OD2-CZ 3.12Å; D121-R172 IonicContact OD2-NH1 2.91Å; D121-R172 PolarHBondContact OD2-NH1 3.02Å; D121-R172 IonicContact OD2-NH2 3.16Å; D121-R172 PolarHBondContact OD2-NH2 2.84Å; D121-E175 HydrophobicContact CB-CG 4.37Å
122	E	90.2	Very high	89.6	Confident	102 Å²	102	53.3 Å²	53.3	48%	0.477	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-26.9	177.2	-65.6	-171	153.4	0	0	113.7	L76 P77 A78	L76-E122 WeakPolarHBondContact O-CG 3.48Å; L76-E122 PolarHBondContact O-N 3.39Å; P77-E122 WeakPolarHBondContact CA-OE1 3.43Å; A78-E122 WeakPolarHBondContact CB-OE1 3.37Å; A78-E122 VanDerWaalsContact N-CD 3.25Å; A78-E122 PolarHBondContact N-OE1 2.95Å
123	F	90.8	Very high	89.3	Confident	174 Å²	174	52.4 Å²	52.4	76%	0.763	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	3.9	-178.9	-54.3	-71.6	0	0	0	113	D121 V125	D121-F123 PolarHBondContact O-N 3.21Å; D121-F123 VanDerWaalsContact O-N 3.14Å; D121-F123 WeakPolarHBondContact OD1-CA 3.5Å; D121-F123 PolarHBondContact OD1-N 3.35Å; F123-V125 VanDerWaalsContact C-N 3.34Å; F123-V125 HydrophobicContact CB-CG2 4.38Å
124	G	89.5	Confident	89.1	Confident	42 Å²	42	59.9 Å²	59.9	43%	0.433	33%	0.332	S	S	.	.	S	Bend	trans	80	12.7	-179.9	0	0	0	0	0	114.3	D121	D121-G124 PolarHBondContact O-N 2.66Å; D121-G124 PolarHBondContact OD1-N 3.49Å
125	V	91.5	Very high	89	Confident	70 Å²	70	61.6 Å²	61.6	42%	0.424	34%	0.34	S	S	.	.			trans	-84.9	129.5	177.7	-176.6	0	0	0	0	109.2	V120 D121 F123 R172	V120-V125 CarbonylContact C-O 3.55Å; V120-V125 VanDerWaalsContact CA-O 3.3Å; V120-V125 WeakPolarHBondContact CA-O 3.46Å; D121-V125 PolarHBondContact N-O 2.52Å; D121-V125 WeakPolarHBondContact OD1-CB 3.24Å; D121-V125 PolarHBondContact OD1-N 2.85Å; F123-V125 VanDerWaalsContact C-N 3.34Å; F123-V125 HydrophobicContact CB-CG2 4.38Å; V125-R172 VanDerWaalsContact CB-NH1 3.35Å; V125-R172 VanDerWaalsContact CG1-NH1 3.28Å; V125-R172 PolarHBondContact O-NH1 3.23Å
126	P	91.5	Very high	89.3	Confident	66 Å²	66	58.7 Å²	58.7	43%	0.429	32%	0.316	S	S	.	.	B	Isolated β-bridge	trans	-65.6	153.8	-178.4	28.3	-35.8	0	0	0	112.7	S128 R172	P126-S128 VanDerWaalsContact C-N 3.27Å; P126-S128 PolarHBondContact O-N 2.9Å; P126-R172 WeakPolarHBondContact O-CD 3.4Å
127	I	92	Very high	89.5	Confident	14 Å²	14	59.7 Å²	59.7	7%	0.072	32%	0.322	C	S	.	.	S	Bend	trans	-71.1	-21.9	177.3	64.3	167.9	0	0	0	113.7	L76 F119 I163 R172 E175 A179	L76-I127 HydrophobicContact CD1-CG2 3.6Å; F119-I127 HydrophobicContact CB-CD1 3.76Å; F119-I127 HydrophobicContact CB-CG1 4.01Å; F119-I127 HydrophobicContact CB-CG2 3.77Å; F119-I127 HydrophobicContact CD2-CD1 4.15Å; F119-I127 HydrophobicContact CG-CD1 4.27Å; F119-I127 PolarHBondContact O-N 2.76Å; I127-I163 HydrophobicContact CD1-CG2 4.05Å; I127-R172 WeakPolarHBondContact O-CB 3.46Å; I127-R172 PolarHBondContact O-N 3.42Å; I127-E175 HydrophobicContact CB-CB 4.4Å; I127-E175 HydrophobicContact CG2-CB 3.73Å; I127-A179 HydrophobicContact CD1-CB 3.95Å
128	S	88.8	Confident	89.8	Confident	13 Å²	13	60.5 Å²	60.5	9%	0.091	33%	0.328	C	S	.	.	B	Isolated β-bridge	trans	-127	138.3	176.5	168.9	0	0	0	0	109.8	P126 T130 G131 S170	P126-S128 VanDerWaalsContact C-N 3.27Å; P126-S128 PolarHBondContact O-N 2.9Å; S128-T130 VanDerWaalsContact C-N 3.32Å; S128-T130 PolarHBondContact OG-N 2.82Å; S128-T130 PolarHBondContact OG-OG1 3.46Å; S128-G131 PolarHBondContact OG-N 2.93Å; S128-S170 VanDerWaalsContact CA-O 3.3Å; S128-S170 WeakPolarHBondContact CA-O 3.29Å
129	S	80.6	Confident	90.2	Very high	97 Å²	97	55.8 Å²	55.8	68%	0.678	31%	0.31	S	S	*	.	S	Bend	trans	-72.6	-24.4	178.4	57.6	0	0	0	0	113.4	S170	S129-S170 PolarHBondContact N-O 3.43Å; S129-S170 PolarHBondContact OG-O 3.08Å
130	T	76.1	Confident	90.4	Very high	98 Å²	98	55.9 Å²	55.9	60%	0.601	31%	0.311	S	S	*	.	S	Bend	trans	-105.5	-11.3	-175.8	54.4	0	0	0	0	113.5	S128	S128-T130 VanDerWaalsContact C-N 3.32Å; S128-T130 PolarHBondContact OG-N 2.82Å; S128-T130 PolarHBondContact OG-OG1 3.46Å
131	G	82.7	Confident	90.5	Very high	34 Å²	34	57.6 Å²	57.6	35%	0.351	32%	0.324	S	S	.	.			trans	67.1	-153.3	-169.9	0	0	0	0	0	112.1	S128 S133	S128-G131 PolarHBondContact OG-N 2.93Å; G131-S133 PolarHBondContact O-N 3.07Å
132	L	88.3	Confident	90.8	Very high	38 Å²	38	57.4 Å²	57.4	20%	0.199	32%	0.324	C	S	.	.	S	Bend	trans	-73.2	116.1	178.4	-163.6	82.4	0	0	0	110	V68 L116 Y136 N137 D164	V68-L132 HydrophobicContact CG2-CB 4.18Å; V68-L132 HydrophobicContact CG2-CD2 4.22Å; L116-L132 HydrophobicContact CD1-CD1 4.18Å; L116-L132 HydrophobicContact CD1-CD2 4.14Å; L132-Y136 HydrophobicContact CD1-CD1 3.62Å; L132-Y136 HydrophobicContact CD1-CE1 4.25Å; L132-N137 HydrophobicContact CD2-CB 4.04Å; L132-D164 HydrophobicContact CD1-CB 4.28Å
133	S	91.8	Very high	91.1	Very high	26 Å²	26	52.6 Å²	52.6	18%	0.182	30%	0.302	C	S	.	.			trans	-69.8	158.3	176.9	67.3	0	0	0	0	112.3	G131 E135 Y136 N137 D164	G131-S133 PolarHBondContact O-N 3.07Å; S133-E135 VanDerWaalsContact C-N 3.27Å; S133-E135 WeakPolarHBondContact CB-OE2 2.95Å; S133-E135 PolarHBondContact O-N 3.12Å; S133-Y136 PolarHBondContact O-N 3.46Å; S133-Y136 WeakPolarHBondContact OG-CB 3.42Å; S133-Y136 PolarHBondContact OG-N 2.97Å; S133-Y136 VanDerWaalsContact OG-N 3.11Å; S133-N137 WeakPolarHBondContact O-CB 2.96Å; S133-N137 PolarHBondContact O-N 2.93Å; S133-D164 WeakPolarHBondContact CB-OD2 3.49Å; S133-D164 PolarHBondContact N-OD2 3.19Å; S133-D164 PolarHBondContact OG-OD2 3.4Å
134	R	91.1	Very high	91.4	Very high	173 Å²	173	45.5 Å²	45.5	65%	0.653	27%	0.273	S	S	*	.	H	α-helix	trans	-60.9	-41.5	173.8	-179.3	-179.8	174.4	-169.8	-2	110.5	Y136 N137 D138	R134-Y136 PolarHBondContact O-N 3.5Å; R134-N137 PolarHBondContact O-N 2.79Å; R134-D138 IonicContact NE-OD2 3Å; R134-D138 WeakPolarHBondContact O-CB 3.4Å; R134-D138 PolarHBondContact O-N 3.19Å
135	E	93.3	Very high	91.7	Very high	51 Å²	51	49.8 Å²	49.8	24%	0.238	29%	0.286	C	S	.	.	H	α-helix	trans	-62.5	-43.3	-179	-64.4	74.1	-165.9	0	0	111.6	S133 D138 L139 L166 Y239 P241 M409	S133-E135 VanDerWaalsContact C-N 3.27Å; S133-E135 WeakPolarHBondContact CB-OE2 2.95Å; S133-E135 PolarHBondContact O-N 3.12Å; E135-D138 PolarHBondContact O-N 2.77Å; E135-L139 PolarHBondContact O-N 3.4Å; E135-L166 HydrophobicContact CB-CD1 3.91Å; E135-Y239 HydrophobicContact CG-CD1 4.02Å; E135-Y239 HydrophobicContact CG-CE1 4.15Å; E135-P241 WeakPolarHBondContact OE1-CB 3.4Å; E135-P241 WeakPolarHBondContact OE1-CG 3.12Å; E135-M409 HydrophobicContact CB-CG 4.08Å; E135-M409 HydrophobicContact CB-SD 4.23Å; E135-M409 WeakPolarHBondContact O-CG 3.27Å
136	Y	94.8	Very high	91.9	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-71.1	-37.2	177.1	-162.9	-116.9	0	0	0	112.1	L132 S133 R134 L139 L140 P161 I163 D164 L166 F195	L132-Y136 HydrophobicContact CD1-CD1 3.62Å; L132-Y136 HydrophobicContact CD1-CE1 4.25Å; S133-Y136 PolarHBondContact O-N 3.46Å; S133-Y136 WeakPolarHBondContact OG-CB 3.42Å; S133-Y136 PolarHBondContact OG-N 2.97Å; S133-Y136 VanDerWaalsContact OG-N 3.11Å; R134-Y136 PolarHBondContact O-N 3.5Å; Y136-L139 HydrophobicContact CD2-CD2 3.89Å; Y136-L139 HydrophobicContact CE2-CD2 3.91Å; Y136-L139 WeakPolarHBondContact O-CB 3.4Å; Y136-L139 PolarHBondContact O-N 2.66Å; Y136-L140 HydrophobicContact CD1-CD1 3.9Å; Y136-L140 HydrophobicContact CD1-CG 4.25Å; Y136-L140 HydrophobicContact CE1-CD1 3.72Å; Y136-L140 HydrophobicContact CE1-CD2 4.22Å; Y136-L140 HydrophobicContact CE1-CG 4.06Å; Y136-L140 WeakPolarHBondContact O-CG 3.28Å; Y136-L140 PolarHBondContact O-N 3.24Å; Y136-P161 PolarHBondContact OH-O 2.89Å; Y136-I163 PolarHBondContact OH-O 2.83Å; Y136-D164 WeakPolarHBondContact CB-OD2 3.19Å; Y136-D164 HydrophobicContact CD1-CB 3.66Å; Y136-D164 HydrophobicContact CE1-CB 4.24Å; Y136-D164 HydrophobicContact CG-CB 3.97Å; Y136-L166 HydrophobicContact CD2-CD1 3.89Å; Y136-L166 HydrophobicContact CD2-CD2 4.19Å; Y136-L166 HydrophobicContact CD2-CG 3.7Å; Y136-L166 HydrophobicContact CG-CD1 4.24Å; Y136-L166 HydrophobicContact CG-CG 4.34Å; Y136-F195 HydrophobicContact CE2-CB 4.37Å
137	N	94	Very high	92	Very high	72 Å²	72	49.2 Å²	49.2	39%	0.385	28%	0.279	S	S	.	.	H	α-helix	trans	-63	-42.2	173.4	-175	71.8	0	0	0	112.3	L132 S133 R134 L139 L140 S141	L132-N137 HydrophobicContact CD2-CB 4.04Å; S133-N137 WeakPolarHBondContact O-CB 2.96Å; S133-N137 PolarHBondContact O-N 2.93Å; R134-N137 PolarHBondContact O-N 2.79Å; N137-L139 VanDerWaalsContact C-N 3.28Å; N137-L139 PolarHBondContact O-N 2.73Å; N137-L140 PolarHBondContact O-N 3.22Å; N137-S141 WeakPolarHBondContact O-CB 3.33Å; N137-S141 PolarHBondContact O-N 2.02Å; N137-S141 PolarHBondContact O-OG 3.44Å
138	D	94.9	Very high	92.2	Very high	65 Å²	65	49 Å²	49	35%	0.348	28%	0.278	S	S	.	.	H	α-helix	trans	-63	-37	175.6	-70.8	-12	0	0	0	111	R134 E135 A142 M409	R134-D138 IonicContact NE-OD2 3Å; R134-D138 WeakPolarHBondContact O-CB 3.4Å; R134-D138 PolarHBondContact O-N 3.19Å; E135-D138 PolarHBondContact O-N 2.77Å; D138-A142 WeakPolarHBondContact O-CB 3.22Å; D138-A142 PolarHBondContact O-N 3.39Å; D138-M409 HydrophobicContact CB-CB 4.29Å
139	L	96.3	Very high	92.5	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-63.9	-51.2	173.4	177.7	67.9	0	0	0	112.2	E135 Y136 N137 S141 A142 I143 F195 M409 G413	E135-L139 PolarHBondContact O-N 3.4Å; Y136-L139 HydrophobicContact CD2-CD2 3.89Å; Y136-L139 HydrophobicContact CE2-CD2 3.91Å; Y136-L139 WeakPolarHBondContact O-CB 3.4Å; Y136-L139 PolarHBondContact O-N 2.66Å; N137-L139 VanDerWaalsContact C-N 3.28Å; N137-L139 PolarHBondContact O-N 2.73Å; L139-S141 VanDerWaalsContact C-N 3.33Å; L139-S141 PolarHBondContact O-N 2.85Å; L139-A142 PolarHBondContact O-N 3.13Å; L139-I143 HydrophobicContact CD1-CD1 4.16Å; L139-I143 HydrophobicContact CG-CD1 4.19Å; L139-I143 WeakPolarHBondContact O-CG1 3.34Å; L139-I143 PolarHBondContact O-N 3.17Å; L139-F195 HydrophobicContact CD1-CE1 4.33Å; L139-F195 HydrophobicContact CD2-CB 3.95Å; L139-F195 HydrophobicContact CD2-CD1 3.84Å; L139-F195 HydrophobicContact CD2-CD2 3.8Å; L139-F195 HydrophobicContact CD2-CE1 4.26Å; L139-F195 HydrophobicContact CD2-CE2 4.22Å; L139-F195 HydrophobicContact CD2-CG 3.59Å; L139-F195 HydrophobicContact CD2-CZ 4.43Å; L139-M409 HydrophobicContact CB-CB 4.35Å; L139-M409 HydrophobicContact CB-CE 3.88Å; L139-M409 HydrophobicContact CD1-CE 4.35Å; L139-M409 WeakPolarHBondContact CD1-O 3.26Å; L139-M409 HydrophobicContact CD2-CE 4.13Å; L139-M409 HydrophobicContact CG-CE 4.35Å; L139-G413 VanDerWaalsContact CD1-CA 3.4Å
140	L	96	Very high	93.2	Very high	15 Å²	15	47 Å²	47	8%	0.079	26%	0.255	C	S	.	.	H	α-helix	trans	-62.3	-42.6	179.9	-66.4	176.7	0	0	0	111.3	I113 Y136 N137 I143 S144 I160	I113-L140 WeakPolarHBondContact CD1-O 3.49Å; I113-L140 HydrophobicContact CG2-CD2 3.96Å; Y136-L140 HydrophobicContact CD1-CD1 3.9Å; Y136-L140 HydrophobicContact CD1-CG 4.25Å; Y136-L140 HydrophobicContact CE1-CD1 3.72Å; Y136-L140 HydrophobicContact CE1-CD2 4.22Å; Y136-L140 HydrophobicContact CE1-CG 4.06Å; Y136-L140 WeakPolarHBondContact O-CG 3.28Å; Y136-L140 PolarHBondContact O-N 3.24Å; N137-L140 PolarHBondContact O-N 3.22Å; L140-I143 PolarHBondContact O-N 3.13Å; L140-S144 WeakPolarHBondContact O-CB 3.24Å; L140-S144 PolarHBondContact O-N 3.03Å; L140-I160 HydrophobicContact CD2-CG2 3.78Å
141	S	95.6	Very high	93.9	Very high	47 Å²	47	48.2 Å²	48.2	33%	0.329	26%	0.257	S	S	.	.	H	α-helix	trans	-60.8	-46.4	176.2	-55.6	0	0	0	0	110.9	N137 L139 I143 S144 D145	N137-S141 WeakPolarHBondContact O-CB 3.33Å; N137-S141 PolarHBondContact O-N 2.02Å; N137-S141 PolarHBondContact O-OG 3.44Å; L139-S141 VanDerWaalsContact C-N 3.33Å; L139-S141 PolarHBondContact O-N 2.85Å; S141-I143 VanDerWaalsContact C-N 3.28Å; S141-I143 PolarHBondContact O-N 3Å; S141-S144 PolarHBondContact O-N 3.3Å; S141-D145 WeakPolarHBondContact O-CB 3.48Å; S141-D145 VanDerWaalsContact O-CG 3.29Å; S141-D145 PolarHBondContact O-N 3.34Å
142	A	96.8	Very high	94.4	Very high	9 Å²	9	48.7 Å²	48.7	7%	0.074	25%	0.252	C	S	.	.	H	α-helix	trans	-60.5	-35.4	177.5	0	0	0	0	0	113.5	D138 L139 S146 K410	D138-A142 WeakPolarHBondContact O-CB 3.22Å; D138-A142 PolarHBondContact O-N 3.39Å; L139-A142 PolarHBondContact O-N 3.13Å; A142-S146 WeakPolarHBondContact O-CB 3.46Å; A142-K410 HydrophobicContact CB-CB 3.61Å; A142-K410 HydrophobicContact CB-CD 4.36Å; A142-K410 HydrophobicContact CB-CG 3.77Å
143	I	97.3	Very high	94.5	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-73.1	-45.2	176.1	-65	171.6	0	0	0	110	V111 I113 L139 L140 S141 D145 S146 Y149 I160 F195 L417	V111-I143 HydrophobicContact CB-CG2 4.45Å; V111-I143 HydrophobicContact CG1-CG2 4.11Å; I113-I143 HydrophobicContact CD1-CB 4.14Å; I113-I143 HydrophobicContact CD1-CG2 3.96Å; I113-I143 HydrophobicContact CG1-CG2 4.39Å; L139-I143 HydrophobicContact CD1-CD1 4.16Å; L139-I143 HydrophobicContact CG-CD1 4.19Å; L139-I143 WeakPolarHBondContact O-CG1 3.34Å; L139-I143 PolarHBondContact O-N 3.17Å; L140-I143 PolarHBondContact O-N 3.13Å; S141-I143 VanDerWaalsContact C-N 3.28Å; S141-I143 PolarHBondContact O-N 3Å; I143-D145 VanDerWaalsContact C-N 3.28Å; I143-D145 PolarHBondContact O-N 3.08Å; I143-S146 WeakPolarHBondContact O-CB 3.37Å; I143-S146 PolarHBondContact O-N 3.23Å; I143-S146 PolarHBondContact O-OG 2.98Å; I143-Y149 WeakPolarHBondContact O-CB 2.97Å; I143-I160 HydrophobicContact CD1-CD1 3.53Å; I143-I160 HydrophobicContact CG2-CD1 4.36Å; I143-F195 HydrophobicContact CD1-CE2 4.45Å; I143-L417 HydrophobicContact CB-CD1 4.47Å; I143-L417 HydrophobicContact CD1-CD1 4.2Å; I143-L417 HydrophobicContact CG1-CD1 3.91Å; I143-L417 HydrophobicContact CG2-CD1 3.88Å
144	S	96	Very high	94.5	Very high	24 Å²	24	52.4 Å²	52.4	17%	0.168	28%	0.275	C	S	.	.	H	α-helix	trans	-57.8	-39.3	177.5	-169.5	0	0	0	0	112.6	L140 S141 S146 Y149	L140-S144 WeakPolarHBondContact O-CB 3.24Å; L140-S144 PolarHBondContact O-N 3.03Å; S141-S144 PolarHBondContact O-N 3.3Å; S144-S146 PolarHBondContact O-N 2.79Å; S144-Y149 WeakPolarHBondContact O-CB 3.45Å; S144-Y149 WeakPolarHBondContact O-CD1 3.37Å
145	D	96.4	Very high	94.5	Very high	133 Å²	133	52.4 Å²	52.4	71%	0.711	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-5.3	178.8	-68.2	-17	0	0	0	113.5	S141 I143	S141-D145 WeakPolarHBondContact O-CB 3.48Å; S141-D145 VanDerWaalsContact O-CG 3.29Å; S141-D145 PolarHBondContact O-N 3.34Å; I143-D145 VanDerWaalsContact C-N 3.28Å; I143-D145 PolarHBondContact O-N 3.08Å
146	S	96	Very high	94.5	Very high	21 Å²	21	50 Å²	50	15%	0.147	26%	0.264	C	S	.	.	S	Bend	trans	-96.4	160.7	-174.6	81.1	0	0	0	0	112.9	A142 I143 S144 F148 Y149	A142-S146 WeakPolarHBondContact O-CB 3.46Å; I143-S146 WeakPolarHBondContact O-CB 3.37Å; I143-S146 PolarHBondContact O-N 3.23Å; I143-S146 PolarHBondContact O-OG 2.98Å; S144-S146 PolarHBondContact O-N 2.79Å; S146-F148 PolarHBondContact O-N 2.93Å; S146-F148 WeakPolarHBondContact OG-CB 3.32Å; S146-F148 PolarHBondContact OG-N 3.23Å; S146-Y149 PolarHBondContact O-N 3.46Å
147	D	93.2	Very high	94.5	Very high	102 Å²	102	50 Å²	50	55%	0.545	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-16	172.7	-68.7	-23.2	0	0	0	114.4	K108 K110 Y149	K108-D147 HydrophobicContact CD-CB 3.62Å; K108-D147 IonicContact NZ-OD2 2.93Å; K108-D147 PolarHBondContact NZ-OD2 2.97Å; K110-D147 PolarHBondContact NZ-O 2.99Å; D147-Y149 VanDerWaalsContact C-N 3.3Å
148	F	95.8	Very high	94.7	Very high	11 Å²	11	46.6 Å²	46.6	5%	0.048	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-25.7	177	-66.1	-73.6	0	0	0	111.5	K108 I109 K110 V111 S146 L414 L417 N421	K108-F148 HydrophobicContact CD-CD1 4.03Å; K108-F148 HydrophobicContact CD-CE1 3.96Å; K108-F148 HydrophobicContact CD-CG 4.48Å; K108-F148 HydrophobicContact CD-CZ 4.35Å; K108-F148 HydrophobicContact CG-CD1 3.7Å; K108-F148 HydrophobicContact CG-CE1 3.56Å; K108-F148 HydrophobicContact CG-CZ 4.36Å; I109-F148 HydrophobicContact CG1-CD1 3.71Å; I109-F148 HydrophobicContact CG1-CE1 3.97Å; K110-F148 CarbonylContact C-O 3.56Å; K110-F148 VanDerWaalsContact CA-O 3.26Å; K110-F148 WeakPolarHBondContact CA-O 3.38Å; V111-F148 HydrophobicContact CG2-CB 3.91Å; V111-F148 PolarHBondContact N-O 3.02Å; S146-F148 PolarHBondContact O-N 2.93Å; S146-F148 WeakPolarHBondContact OG-CB 3.32Å; S146-F148 PolarHBondContact OG-N 3.23Å; F148-L414 HydrophobicContact CD2-CD2 4.19Å; F148-L417 HydrophobicContact CB-CD1 3.96Å; F148-L417 HydrophobicContact CD1-CB 4.38Å; F148-L417 HydrophobicContact CD2-CB 4.07Å; F148-L417 HydrophobicContact CD2-CD1 3.97Å; F148-L417 HydrophobicContact CE1-CB 4.34Å; F148-L417 HydrophobicContact CE2-CB 4.03Å; F148-L417 HydrophobicContact CG-CB 4.24Å; F148-L417 HydrophobicContact CG-CD1 4Å; F148-L417 HydrophobicContact CZ-CB 4.16Å; F148-N421 HydrophobicContact CE1-CB 4.08Å
149	Y	96.3	Very high	94.8	Very high	59 Å²	59	43.5 Å²	43.5	23%	0.231	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-67.4	149.6	-175.5	179.2	-110.4	0	0	0	113.3	K110 V111 I113 I143 S144 S146 D147	K110-Y149 PolarHBondContact NZ-O 3.19Å; V111-Y149 WeakPolarHBondContact O-CA 3.39Å; I113-Y149 HydrophobicContact CB-CE2 4.48Å; I113-Y149 HydrophobicContact CD1-CD2 4.07Å; I113-Y149 HydrophobicContact CD1-CE2 4.25Å; I113-Y149 HydrophobicContact CG1-CD2 4.38Å; I113-Y149 HydrophobicContact CG1-CE2 4.45Å; I143-Y149 WeakPolarHBondContact O-CB 2.97Å; S144-Y149 WeakPolarHBondContact O-CB 3.45Å; S144-Y149 WeakPolarHBondContact O-CD1 3.37Å; S146-Y149 PolarHBondContact O-N 3.46Å; D147-Y149 VanDerWaalsContact C-N 3.3Å
150	T	94.3	Very high	94.9	Very high	9 Å²	9	43.5 Å²	43.5	6%	0.055	23%	0.229	C	C	.	.			trans	-147.1	139.3	166.7	-168.8	0	0	0	0	109.3	K110 V111 D152 A156	K110-T150 HydrophobicContact CB-CG2 3.82Å; V111-T150 PolarHBondContact O-N 3.18Å; T150-D152 WeakPolarHBondContact CG2-O 3.42Å; T150-D152 PolarHBondContact OG1-N 3.31Å; T150-A156 HydrophobicContact CG2-CB 4.01Å
151	D	91.9	Very high	94.9	Very high	122 Å²	122	42.8 Å²	42.8	65%	0.652	23%	0.226	S	C	*	.	S	Bend	trans	-80.6	-27.7	168.5	59.9	-23.2	0	0	0	111.6	Y112 V153	Y112-D151 WeakPolarHBondContact CE2-O 2.79Å; D151-V153 PolarHBondContact O-N 3.32Å
152	D	91.6	Very high	94.7	Very high	45 Å²	45	41.2 Å²	41.2	24%	0.241	21%	0.214	C	C	.	.			trans	-76.2	107	176	-173.6	-10	0	0	0	112.6	T150 T154 R155	T150-D152 WeakPolarHBondContact CG2-O 3.42Å; T150-D152 PolarHBondContact OG1-N 3.31Å; D152-T154 VanDerWaalsContact CG-OG1 3.27Å; D152-T154 PolarHBondContact O-N 3.12Å; D152-T154 WeakPolarHBondContact OD1-CB 3.12Å; D152-T154 PolarHBondContact OD1-N 2.98Å; D152-T154 PolarHBondContact OD1-OG1 3.27Å; D152-T154 PolarHBondContact OD2-OG1 3.4Å; D152-R155 HydrophobicContact CB-CB 4.35Å; D152-R155 HydrophobicContact CB-CG 4.16Å; D152-R155 PolarHBondContact O-N 3.08Å; D152-R155 WeakPolarHBondContact OD2-CD 3.21Å; D152-R155 WeakPolarHBondContact OD2-CG 3.2Å; D152-R155 IonicContact OD2-CZ 2.81Å; D152-R155 IonicContact OD2-NE 2.84Å; D152-R155 PolarHBondContact OD2-NE 3.23Å; D152-R155 IonicContact OD2-NH2 3.02Å
153	V	91.8	Very high	94.6	Very high	33 Å²	33	41.2 Å²	41.2	20%	0.2	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-30.6	175.7	-180	0	0	0	0	112.7	Y112 D151 A156 F159 R185	Y112-V153 HydrophobicContact CD1-CG2 4.31Å; Y112-V153 HydrophobicContact CD2-CB 4.49Å; Y112-V153 HydrophobicContact CD2-CG2 3.74Å; Y112-V153 HydrophobicContact CE1-CG2 3.94Å; Y112-V153 HydrophobicContact CE2-CB 4.49Å; Y112-V153 HydrophobicContact CE2-CG2 3.33Å; Y112-V153 HydrophobicContact CG-CG2 4.2Å; Y112-V153 VanDerWaalsContact CZ-CG2 3.44Å; D151-V153 PolarHBondContact O-N 3.32Å; V153-A156 PolarHBondContact O-N 3Å; V153-F159 HydrophobicContact CG1-CE1 4.04Å; V153-R185 HydrophobicContact CG1-CG 4.49Å
154	T	90.3	Very high	94.5	Very high	108 Å²	108	41.7 Å²	41.7	66%	0.663	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-25.9	-176.2	70.9	0	0	0	0	112.8	D152 A156	D152-T154 VanDerWaalsContact CG-OG1 3.27Å; D152-T154 PolarHBondContact O-N 3.12Å; D152-T154 WeakPolarHBondContact OD1-CB 3.12Å; D152-T154 PolarHBondContact OD1-N 2.98Å; D152-T154 PolarHBondContact OD1-OG1 3.27Å; D152-T154 PolarHBondContact OD2-OG1 3.4Å; T154-A156 VanDerWaalsContact C-N 3.35Å
155	R	90.9	Very high	94.5	Very high	173 Å²	173	40.6 Å²	40.6	65%	0.653	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-11.7	175.9	-65.3	177.9	-161.6	-164.6	-3.8	113	K110 D152 C157	K110-R155 WeakPolarHBondContact CB-O 3.47Å; D152-R155 HydrophobicContact CB-CB 4.35Å; D152-R155 HydrophobicContact CB-CG 4.16Å; D152-R155 PolarHBondContact O-N 3.08Å; D152-R155 WeakPolarHBondContact OD2-CD 3.21Å; D152-R155 WeakPolarHBondContact OD2-CG 3.2Å; D152-R155 IonicContact OD2-CZ 2.81Å; D152-R155 IonicContact OD2-NE 2.84Å; D152-R155 PolarHBondContact OD2-NE 3.23Å; D152-R155 IonicContact OD2-NH2 3.02Å; R155-C157 PolarHBondContact O-N 3.08Å
156	A	94.1	Very high	94.4	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.008	18%	0.177	C	C	.	.			trans	-72.3	121.4	-173.5	0	0	0	0	0	112.1	Y112 T150 V153 T154 F159	Y112-A156 VanDerWaalsContact CB-CB 3.47Å; T150-A156 HydrophobicContact CG2-CB 4.01Å; V153-A156 PolarHBondContact O-N 3Å; T154-A156 VanDerWaalsContact C-N 3.35Å; A156-F159 HydrophobicContact CB-CE1 3.79Å; A156-F159 HydrophobicContact CB-CE2 4.36Å; A156-F159 HydrophobicContact CB-CZ 3.65Å
157	C	95.4	Very high	94.3	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.007	18%	0.184	C	C	.	.	S	Bend	trans	-75.7	-44	167.2	168.3	0	0	0	0	110.8	C101 I109 K110 R155 N191	C101-C157 HydrophobicContact CB-CB 3.66Å; C101-C157 WeakPolarHBondContact CB-SG 3.2Å; C101-C157 WeakPolarHBondContact SG-CB 3.27Å; C101-C157 CovalentContact SG-SG 2.03Å; C101-C157 PolarHBondContact SG-SG 3.47Å; I109-C157 HydrophobicContact CB-CB 4.04Å; I109-C157 HydrophobicContact CG2-CB 4.4Å; K110-C157 WeakPolarHBondContact O-CA 3.35Å; K110-C157 VanDerWaalsContact O-CB 3.32Å; K110-C157 WeakPolarHBondContact O-CB 3.4Å; K110-C157 PolarHBondContact O-N 3.18Å; R155-C157 PolarHBondContact O-N 3.08Å; C157-N191 VanDerWaalsContact O-CB 3.3Å; C157-N191 WeakPolarHBondContact O-CB 3.4Å; C157-N191 PolarHBondContact O-ND2 2.7Å
158	L	97.1	Very high	94.4	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	151.4	-178.5	-65.1	178.9	0	0	0	112.1	F96 I109 K110 V111 Y112 N191 L417 I420	F96-L158 HydrophobicContact CE2-CD2 3.44Å; F96-L158 VanDerWaalsContact CE2-CD2 3.44Å; F96-L158 HydrophobicContact CZ-CD2 3.76Å; I109-L158 HydrophobicContact CD1-CD1 3.58Å; I109-L158 HydrophobicContact CD1-CG 4.24Å; K110-L158 PolarHBondContact O-N 3.06Å; K110-L158 VanDerWaalsContact O-N 3.07Å; V111-L158 WeakPolarHBondContact CA-O 3.48Å; V111-L158 HydrophobicContact CG1-CB 4.36Å; V111-L158 HydrophobicContact CG2-CB 4.18Å; V111-L158 HydrophobicContact CG2-CD1 4.34Å; Y112-L158 PolarHBondContact N-O 2.99Å; L158-N191 WeakPolarHBondContact CA-O 3.36Å; L158-L417 HydrophobicContact CD1-CD2 3.98Å; L158-I420 HydrophobicContact CD1-CD1 4.17Å; L158-I420 HydrophobicContact CD1-CG2 3.97Å
159	F	97.9	Very high	94.2	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	128.9	176.9	-62.1	-86.9	0	0	0	110.5	R100 Y112 Y114 V153 A156 N191 H192 L193	R100-F159 VanDerWaalsContact CZ-CE2 3.42Å; Y112-F159 AromaticContact CD1-CD1 3.92Å; Y112-F159 HydrophobicContact CD1-CD1 3.92Å; Y112-F159 HydrophobicContact CD1-CE1 4.22Å; Y112-F159 HydrophobicContact CG-CD1 4.41Å; Y112-F159 HydrophobicContact CG-CE1 4.42Å; Y112-F159 WeakPolarHBondContact O-CA 3.21Å; Y114-F159 HydrophobicContact CE2-CB 3.86Å; Y114-F159 HydrophobicContact CE2-CD1 4.39Å; V153-F159 HydrophobicContact CG1-CE1 4.04Å; A156-F159 HydrophobicContact CB-CE1 3.79Å; A156-F159 HydrophobicContact CB-CE2 4.36Å; A156-F159 HydrophobicContact CB-CZ 3.65Å; F159-N191 HydrophobicContact CD2-CB 4.38Å; F159-N191 PolarHBondContact N-O 2.75Å; F159-H192 WeakPolarHBondContact O-CA 3.25Å; F159-L193 PolarHBondContact O-N 2.93Å
160	I	97.9	Very high	93.8	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	111.9	177.1	-61.1	179.8	0	0	0	108.5	V111 Y112 I113 Y114 L140 I143 L193 F195	V111-I160 HydrophobicContact CG1-CD1 3.5Å; V111-I160 VanDerWaalsContact CG1-CD1 3.5Å; V111-I160 HydrophobicContact CG1-CG1 3.79Å; Y112-I160 PolarHBondContact O-N 2.73Å; I113-I160 WeakPolarHBondContact CA-O 3.1Å; Y114-I160 PolarHBondContact N-O 3.42Å; L140-I160 HydrophobicContact CD2-CG2 3.78Å; I143-I160 HydrophobicContact CD1-CD1 3.53Å; I143-I160 HydrophobicContact CG2-CD1 4.36Å; I160-L193 HydrophobicContact CG1-CB 4.34Å; I160-F195 HydrophobicContact CD1-CE2 4.13Å
161	P	95.7	Very high	93.8	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.177	C	C	.	.			trans	-60.8	144.9	173.3	-24.7	36.6	0	0	0	111.7	Y114 Y136 I163 L180 L183 W186 L194	Y114-P161 HydrophobicContact CD2-CB 4.5Å; Y136-P161 PolarHBondContact OH-O 2.89Å; P161-I163 HydrophobicContact CB-CB 4.25Å; P161-I163 HydrophobicContact CB-CG1 4.25Å; P161-I163 PolarHBondContact O-N 2.86Å; P161-I163 VanDerWaalsContact O-N 3.08Å; P161-L180 HydrophobicContact CB-CD2 4.25Å; P161-L180 HydrophobicContact CG-CD2 4.01Å; P161-L183 HydrophobicContact CB-CD1 3.79Å; P161-L183 HydrophobicContact CG-CD1 3.77Å; P161-W186 HydrophobicContact CG-CZ3 4.25Å; P161-L194 HydrophobicContact CG-CD2 3.77Å
162	S	92.7	Very high	93.9	Very high	13 Å²	13	31.8 Å²	31.8	9%	0.091	16%	0.158	C	C	.	.	S	Bend	trans	-83.3	39.6	166.6	-60.5	0	0	0	0	112.1	Y114	Y114-S162 PolarHBondContact O-OG 2.73Å
163	I	93.9	Very high	94	Very high	9 Å²	9	32.9 Å²	32.9	5%	0.046	16%	0.163	C	C	.	.			trans	-110.6	110.8	178.2	-59.2	178.5	0	0	0	106.9	F119 I127 Y136 P161 V165 T176 A179 L180 L183	F119-I163 HydrophobicContact CD2-CD1 4.23Å; F119-I163 HydrophobicContact CD2-CG1 4.3Å; F119-I163 HydrophobicContact CE2-CD1 3.72Å; F119-I163 HydrophobicContact CE2-CG1 3.84Å; F119-I163 HydrophobicContact CZ-CD1 4.22Å; I127-I163 HydrophobicContact CD1-CG2 4.05Å; Y136-I163 PolarHBondContact OH-O 2.83Å; P161-I163 HydrophobicContact CB-CB 4.25Å; P161-I163 HydrophobicContact CB-CG1 4.25Å; P161-I163 PolarHBondContact O-N 2.86Å; P161-I163 VanDerWaalsContact O-N 3.08Å; I163-V165 HydrophobicContact CG2-CG1 4.1Å; I163-V165 PolarHBondContact O-N 3.33Å; I163-V165 VanDerWaalsContact O-N 3.13Å; I163-T176 HydrophobicContact CG2-CG2 4.08Å; I163-A179 HydrophobicContact CD1-CB 3.79Å; I163-L180 HydrophobicContact CD1-CD2 4.03Å; I163-L180 HydrophobicContact CD1-CG 4.45Å; I163-L183 HydrophobicContact CD1-CD1 4.45Å
164	D	95	Very high	94.1	Very high	12 Å²	12	37.6 Å²	37.6	6%	0.064	18%	0.178	C	C	.	.			trans	-70.2	109.8	-180	-173.2	-10.4	0	0	0	110.5	L132 S133 Y136 L166 L171	L132-D164 HydrophobicContact CD1-CB 4.28Å; S133-D164 WeakPolarHBondContact CB-OD2 3.49Å; S133-D164 PolarHBondContact N-OD2 3.19Å; S133-D164 PolarHBondContact OG-OD2 3.4Å; Y136-D164 WeakPolarHBondContact CB-OD2 3.19Å; Y136-D164 HydrophobicContact CD1-CB 3.66Å; Y136-D164 HydrophobicContact CE1-CB 4.24Å; Y136-D164 HydrophobicContact CG-CB 3.97Å; D164-L166 VanDerWaalsContact OD1-CB 3.32Å; D164-L166 WeakPolarHBondContact OD1-CB 3.13Å; D164-L166 WeakPolarHBondContact OD1-CG 3.48Å; D164-L166 PolarHBondContact OD1-N 3.17Å; D164-L171 WeakPolarHBondContact O-CD2 3.14Å
165	V	95.9	Very high	94.3	Very high	0 Å²	0	34 Å²	34	0%	0	15%	0.154	C	C	.	.			trans	-116.4	20	173.1	-58.8	0	0	0	0	112.1	I163 N167 L171 T176 L194 F195 N196 L209	I163-V165 HydrophobicContact CG2-CG1 4.1Å; I163-V165 PolarHBondContact O-N 3.33Å; I163-V165 VanDerWaalsContact O-N 3.13Å; V165-N167 VanDerWaalsContact C-N 3.3Å; V165-N167 PolarHBondContact O-N 3.31Å; V165-L171 HydrophobicContact CB-CD1 4.01Å; V165-L171 HydrophobicContact CG1-CD1 3.99Å; V165-T176 HydrophobicContact CG1-CG2 3.91Å; V165-L194 HydrophobicContact CG2-CB 4.2Å; V165-F195 CarbonylContact C-O 3.06Å; V165-F195 WeakPolarHBondContact CG2-O 3.42Å; V165-N196 WeakPolarHBondContact O-CB 3.22Å; V165-N196 PolarHBondContact O-ND2 3.15Å; V165-L209 HydrophobicContact CB-CD2 4.28Å; V165-L209 HydrophobicContact CG2-CD2 4.11Å
166	L	95.4	Very high	94.6	Very high	11 Å²	11	25.8 Å²	25.8	6%	0.058	12%	0.123	C	C	.	.	S	Bend	trans	-60.1	-39.9	-178.1	-73.7	-178.9	0	0	0	112.4	E135 Y136 D164 F195 N196 M197 L198 M409	E135-L166 HydrophobicContact CB-CD1 3.91Å; Y136-L166 HydrophobicContact CD2-CD1 3.89Å; Y136-L166 HydrophobicContact CD2-CD2 4.19Å; Y136-L166 HydrophobicContact CD2-CG 3.7Å; Y136-L166 HydrophobicContact CG-CD1 4.24Å; Y136-L166 HydrophobicContact CG-CG 4.34Å; D164-L166 VanDerWaalsContact OD1-CB 3.32Å; D164-L166 WeakPolarHBondContact OD1-CB 3.13Å; D164-L166 WeakPolarHBondContact OD1-CG 3.48Å; D164-L166 PolarHBondContact OD1-N 3.17Å; L166-F195 HydrophobicContact CD2-CB 3.83Å; L166-F195 PolarHBondContact N-O 2.86Å; L166-N196 PolarHBondContact O-ND2 3.24Å; L166-M197 HydrophobicContact CD2-CG 4.15Å; L166-M197 HydrophobicContact CD2-SD 4.41Å; L166-M197 PolarHBondContact O-N 2.81Å; L166-L198 PolarHBondContact O-N 3.34Å; L166-M409 HydrophobicContact CD1-CE 4.09Å; L166-M409 HydrophobicContact CD2-CE 4.34Å
167	N	94.1	Very high	94.6	Very high	58 Å²	58	25.8 Å²	25.8	31%	0.31	12%	0.122	S	C	.	.	B	Isolated β-bridge	trans	-125.7	107.6	-178.1	-179	4.3	0	0	0	111.9	V165 N169 S170 L198	V165-N167 VanDerWaalsContact C-N 3.3Å; V165-N167 PolarHBondContact O-N 3.31Å; N167-N169 PolarHBondContact O-N 2.92Å; N167-N169 WeakPolarHBondContact OD1-CB 3.38Å; N167-N169 PolarHBondContact OD1-N 3.15Å; N167-N169 VanDerWaalsContact OD1-N 3.15Å; N167-S170 PolarHBondContact O-N 3.01Å; N167-S170 VanDerWaalsContact O-N 3.17Å; N167-S170 PolarHBondContact O-OG 3.14Å; N167-L198 HydrophobicContact CB-CD1 4.29Å
168	Q	93.5	Very high	94.7	Very high	8 Å²	8	26 Å²	26	4%	0.037	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-63.5	-25.8	-175.4	-164.1	-177.3	-67.5	0	0	113.7	S170 L171 L198 G200 L209 D210	Q168-S170 PolarHBondContact O-N 3.47Å; Q168-S170 VanDerWaalsContact O-N 3.11Å; Q168-L171 HydrophobicContact CG-CD1 4.41Å; Q168-L171 WeakPolarHBondContact O-CB 3.37Å; Q168-L171 PolarHBondContact O-N 3.31Å; Q168-L198 WeakPolarHBondContact CB-O 3.29Å; Q168-L198 PolarHBondContact N-O 2.66Å; Q168-L198 VanDerWaalsContact N-O 3.07Å; Q168-G200 VanDerWaalsContact NE2-C 3.33Å; Q168-L209 HydrophobicContact CG-CD1 4.27Å; Q168-D210 VanDerWaalsContact NE2-CG 3.35Å; Q168-D210 PolarHBondContact NE2-OD2 2.88Å
169	N	91.6	Very high	94.6	Very high	93 Å²	93	26 Å²	26	50%	0.497	12%	0.123	S	C	.	.	G	3₁₀ helix	trans	-61.3	-22.6	178.8	-73.3	-13.1	0	0	0	113.3	N167 L171 R331	N167-N169 PolarHBondContact O-N 2.92Å; N167-N169 WeakPolarHBondContact OD1-CB 3.38Å; N167-N169 PolarHBondContact OD1-N 3.15Å; N167-N169 VanDerWaalsContact OD1-N 3.15Å; N169-L171 VanDerWaalsContact C-N 3.35Å; N169-R331 VanDerWaalsContact CG-NH2 3.29Å; N169-R331 PolarHBondContact ND2-NH2 3.18Å; N169-R331 PolarHBondContact OD1-NH2 3.38Å
170	S	89.1	Confident	94.4	Very high	11 Å²	11	26 Å²	26	8%	0.077	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-84.7	-10.5	178.1	67.3	0	0	0	0	113.4	S128 S129 N167 Q168	S128-S170 VanDerWaalsContact CA-O 3.3Å; S128-S170 WeakPolarHBondContact CA-O 3.29Å; S129-S170 PolarHBondContact N-O 3.43Å; S129-S170 PolarHBondContact OG-O 3.08Å; N167-S170 PolarHBondContact O-N 3.01Å; N167-S170 VanDerWaalsContact O-N 3.17Å; N167-S170 PolarHBondContact O-OG 3.14Å; Q168-S170 PolarHBondContact O-N 3.47Å; Q168-S170 VanDerWaalsContact O-N 3.11Å
171	L	93.4	Very high	94.3	Very high	20 Å²	20	27.1 Å²	27.1	11%	0.105	13%	0.132	C	C	.	.	B	Isolated β-bridge	trans	-99.7	142.3	-164.6	-55.6	-178.7	0	0	0	113.1	D164 V165 Q168 N169 L209 V211	D164-L171 WeakPolarHBondContact O-CD2 3.14Å; V165-L171 HydrophobicContact CB-CD1 4.01Å; V165-L171 HydrophobicContact CG1-CD1 3.99Å; Q168-L171 HydrophobicContact CG-CD1 4.41Å; Q168-L171 WeakPolarHBondContact O-CB 3.37Å; Q168-L171 PolarHBondContact O-N 3.31Å; N169-L171 VanDerWaalsContact C-N 3.35Å; L171-L209 HydrophobicContact CD1-CD1 4.43Å; L171-V211 HydrophobicContact CD1-CG2 4.09Å
172	R	94.3	Very high	94.2	Very high	71 Å²	71	30.8 Å²	30.8	27%	0.268	15%	0.15	S	C	.	.			trans	-89.2	105.5	159.1	-62	175.4	57.9	-177.4	4.6	108.7	D121 V125 P126 I127 R174 E175 T176	D121-R172 IonicContact OD2-CZ 3.12Å; D121-R172 IonicContact OD2-NH1 2.91Å; D121-R172 PolarHBondContact OD2-NH1 3.02Å; D121-R172 IonicContact OD2-NH2 3.16Å; D121-R172 PolarHBondContact OD2-NH2 2.84Å; V125-R172 VanDerWaalsContact CB-NH1 3.35Å; V125-R172 VanDerWaalsContact CG1-NH1 3.28Å; V125-R172 PolarHBondContact O-NH1 3.23Å; P126-R172 WeakPolarHBondContact O-CD 3.4Å; I127-R172 WeakPolarHBondContact O-CB 3.46Å; I127-R172 PolarHBondContact O-N 3.42Å; R172-R174 PolarHBondContact O-N 2.94Å; R172-E175 HydrophobicContact CB-CB 4.37Å; R172-E175 VanDerWaalsContact CB-OE2 3.25Å; R172-E175 WeakPolarHBondContact CB-OE2 3.45Å; R172-E175 IonicContact CZ-OE1 2.79Å; R172-E175 IonicContact NE-OE1 3.21Å; R172-E175 IonicContact NE-OE2 2.71Å; R172-E175 VanDerWaalsContact NH2-CD 3.31Å; R172-E175 IonicContact NH2-OE1 2.72Å; R172-E175 PolarHBondContact NH2-OE1 2.72Å; R172-E175 PolarHBondContact O-N 3.1Å; R172-T176 VanDerWaalsContact O-CB 3.31Å; R172-T176 WeakPolarHBondContact O-CB 3.32Å; R172-T176 PolarHBondContact O-N 3.45Å; R172-T176 PolarHBondContact O-OG1 3.18Å
173	I	93.6	Very high	94.3	Very high	68 Å²	68	30.5 Å²	30.5	35%	0.349	15%	0.148	S	C	.	.	H	α-helix	trans	-56.1	-48.3	-165.7	-62.3	174.5	0	0	0	112	A177 D210 V211	I173-A177 WeakPolarHBondContact O-CB 3.23Å; I173-A177 PolarHBondContact O-N 3.44Å; I173-A177 VanDerWaalsContact O-N 3.14Å; I173-D210 HydrophobicContact CD1-CB 4.02Å; I173-V211 HydrophobicContact CG2-CG2 4.29Å
174	R	94.4	Very high	94.2	Very high	132 Å²	132	35 Å²	35	50%	0.498	18%	0.177	S	C	.	.	H	α-helix	trans	-66.2	-49.4	-175.6	179.3	-178.9	172.1	-172.6	-3.4	111.6	A78 I82 R172 T176 A177 Q178	A78-R174 PolarHBondContact O-NH2 3.19Å; I82-R174 HydrophobicContact CD1-CG 4Å; R172-R174 PolarHBondContact O-N 2.94Å; R174-T176 VanDerWaalsContact C-N 3.35Å; R174-A177 WeakPolarHBondContact O-CB 3.42Å; R174-A177 PolarHBondContact O-N 2.83Å; R174-Q178 WeakPolarHBondContact O-CG 3.32Å; R174-Q178 PolarHBondContact O-N 2.92Å
175	E	95.1	Very high	94	Very high	34 Å²	34	40 Å²	40	16%	0.159	20%	0.196	C	C	.	.	H	α-helix	trans	-70.7	-34.4	-175.8	-62.7	78.4	175.3	0	0	111.1	L76 D121 I127 R172 A177 Q178 A179	L76-E175 HydrophobicContact CD1-CB 4.21Å; L76-E175 VanDerWaalsContact CD1-O 3.29Å; L76-E175 WeakPolarHBondContact CD1-O 3.28Å; D121-E175 HydrophobicContact CB-CG 4.37Å; I127-E175 HydrophobicContact CB-CB 4.4Å; I127-E175 HydrophobicContact CG2-CB 3.73Å; R172-E175 HydrophobicContact CB-CB 4.37Å; R172-E175 VanDerWaalsContact CB-OE2 3.25Å; R172-E175 WeakPolarHBondContact CB-OE2 3.45Å; R172-E175 IonicContact CZ-OE1 2.79Å; R172-E175 IonicContact NE-OE1 3.21Å; R172-E175 IonicContact NE-OE2 2.71Å; R172-E175 VanDerWaalsContact NH2-CD 3.31Å; R172-E175 IonicContact NH2-OE1 2.72Å; R172-E175 PolarHBondContact NH2-OE1 2.72Å; R172-E175 PolarHBondContact O-N 3.1Å; E175-A177 VanDerWaalsContact C-N 3.3Å; E175-A177 PolarHBondContact O-N 3.31Å; E175-Q178 PolarHBondContact O-N 2.89Å; E175-A179 PolarHBondContact O-N 2.77Å
176	T	95.4	Very high	93.9	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-62.3	-40.1	171.4	-53.6	0	0	0	0	111	I163 V165 R172 R174 A179 L180 V211	I163-T176 HydrophobicContact CG2-CG2 4.08Å; V165-T176 HydrophobicContact CG1-CG2 3.91Å; R172-T176 VanDerWaalsContact O-CB 3.31Å; R172-T176 WeakPolarHBondContact O-CB 3.32Å; R172-T176 PolarHBondContact O-N 3.45Å; R172-T176 PolarHBondContact O-OG1 3.18Å; R174-T176 VanDerWaalsContact C-N 3.35Å; T176-A179 WeakPolarHBondContact O-CB 3.03Å; T176-A179 PolarHBondContact O-N 3.14Å; T176-L180 WeakPolarHBondContact O-CG 3.34Å; T176-L180 PolarHBondContact O-N 3Å; T176-L180 VanDerWaalsContact O-N 3.11Å; T176-V211 HydrophobicContact CG2-CG1 4Å; T176-V211 HydrophobicContact CG2-CG2 4.21Å
177	A	95.9	Very high	93.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-65.7	-41	176.5	0	0	0	0	0	112	I82 P83 I173 R174 E175 A179 L180 A181 V211 P212	I82-A177 HydrophobicContact CG2-CB 4.09Å; P83-A177 WeakPolarHBondContact CD-O 3.38Å; P83-A177 HydrophobicContact CG-CB 4.47Å; P83-A177 WeakPolarHBondContact CG-O 3.36Å; I173-A177 WeakPolarHBondContact O-CB 3.23Å; I173-A177 PolarHBondContact O-N 3.44Å; I173-A177 VanDerWaalsContact O-N 3.14Å; R174-A177 WeakPolarHBondContact O-CB 3.42Å; R174-A177 PolarHBondContact O-N 2.83Å; E175-A177 VanDerWaalsContact C-N 3.3Å; E175-A177 PolarHBondContact O-N 3.31Å; A177-A179 VanDerWaalsContact C-N 3.33Å; A177-A179 PolarHBondContact O-N 2.9Å; A177-L180 PolarHBondContact O-N 3.11Å; A177-A181 PolarHBondContact O-N 2.95Å; A177-A181 VanDerWaalsContact O-N 3.11Å; A177-V211 HydrophobicContact CB-CG1 3.89Å; A177-P212 HydrophobicContact CB-CB 4.25Å; A177-P212 HydrophobicContact CB-CG 4.24Å
178	Q	95.6	Very high	93.7	Very high	5 Å²	5	48.4 Å²	48.4	2%	0.023	23%	0.232	C	C	.	.	H	α-helix	trans	-61.6	-41.6	173.7	-69.3	177.1	-45.6	0	0	111.8	L76 A78 S80 I82 R174 E175 L180 A181 M182	L76-Q178 HydrophobicContact CD1-CB 4.37Å; L76-Q178 HydrophobicContact CD2-CB 4.49Å; A78-Q178 PolarHBondContact O-NE2 2.87Å; S80-Q178 PolarHBondContact O-NE2 2.92Å; I82-Q178 HydrophobicContact CD1-CG 4.46Å; I82-Q178 HydrophobicContact CG1-CG 3.7Å; R174-Q178 WeakPolarHBondContact O-CG 3.32Å; R174-Q178 PolarHBondContact O-N 2.92Å; E175-Q178 PolarHBondContact O-N 2.89Å; Q178-L180 VanDerWaalsContact C-N 3.32Å; Q178-L180 PolarHBondContact O-N 3.29Å; Q178-A181 PolarHBondContact O-N 2.91Å; Q178-M182 WeakPolarHBondContact O-CG 3.41Å; Q178-M182 PolarHBondContact O-N 3.14Å; Q178-M182 VanDerWaalsContact O-N 3.08Å
179	A	95	Very high	93.8	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-59.7	-41.4	175.8	0	0	0	0	0	112.2	L76 F119 I127 I163 E175 T176 A177 M182	L76-A179 HydrophobicContact CD1-CB 4.15Å; L76-A179 HydrophobicContact CD2-CB 4.39Å; F119-A179 HydrophobicContact CB-CB 4.16Å; F119-A179 HydrophobicContact CD1-CB 3.72Å; F119-A179 HydrophobicContact CD2-CB 4Å; F119-A179 HydrophobicContact CE1-CB 4.03Å; F119-A179 HydrophobicContact CE2-CB 4.31Å; F119-A179 HydrophobicContact CG-CB 3.69Å; F119-A179 HydrophobicContact CZ-CB 4.31Å; I127-A179 HydrophobicContact CD1-CB 3.95Å; I163-A179 HydrophobicContact CD1-CB 3.79Å; E175-A179 PolarHBondContact O-N 2.77Å; T176-A179 WeakPolarHBondContact O-CB 3.03Å; T176-A179 PolarHBondContact O-N 3.14Å; A177-A179 VanDerWaalsContact C-N 3.33Å; A177-A179 PolarHBondContact O-N 2.9Å; A179-M182 PolarHBondContact O-N 2.95Å
180	L	95.8	Very high	93.9	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-61.7	-47.4	175.1	-68.6	170.4	0	0	0	111.7	P161 I163 T176 A177 Q178 M182 L183 W186 L194 V211	P161-L180 HydrophobicContact CB-CD2 4.25Å; P161-L180 HydrophobicContact CG-CD2 4.01Å; I163-L180 HydrophobicContact CD1-CD2 4.03Å; I163-L180 HydrophobicContact CD1-CG 4.45Å; T176-L180 WeakPolarHBondContact O-CG 3.34Å; T176-L180 PolarHBondContact O-N 3Å; T176-L180 VanDerWaalsContact O-N 3.11Å; A177-L180 PolarHBondContact O-N 3.11Å; Q178-L180 VanDerWaalsContact C-N 3.32Å; Q178-L180 PolarHBondContact O-N 3.29Å; L180-M182 PolarHBondContact O-N 3.35Å; L180-L183 HydrophobicContact CD2-CD1 4.25Å; L180-L183 WeakPolarHBondContact O-CB 2.92Å; L180-L183 WeakPolarHBondContact O-CG 3.38Å; L180-L183 PolarHBondContact O-N 3.36Å; L180-L183 VanDerWaalsContact O-N 3.14Å; L180-W186 HydrophobicContact CB-CD2 4.28Å; L180-W186 HydrophobicContact CB-CE3 4.27Å; L180-W186 HydrophobicContact CB-CH2 3.96Å; L180-W186 HydrophobicContact CB-CZ2 3.96Å; L180-W186 HydrophobicContact CB-CZ3 4.11Å; L180-W186 HydrophobicContact CD1-CH2 4.1Å; L180-W186 HydrophobicContact CD1-CZ2 4.41Å; L180-W186 HydrophobicContact CD2-CE3 4.48Å; L180-W186 HydrophobicContact CD2-CH2 3.92Å; L180-W186 HydrophobicContact CD2-CZ3 3.77Å; L180-W186 HydrophobicContact CG-CH2 4.22Å; L180-W186 HydrophobicContact CG-CZ3 4.42Å; L180-W186 WeakPolarHBondContact O-CB 3.34Å; L180-W186 VanDerWaalsContact O-CD2 3.27Å; L180-L194 HydrophobicContact CD1-CD1 4.16Å; L180-L194 HydrophobicContact CD2-CD2 4.02Å; L180-V211 HydrophobicContact CD1-CG1 3.91Å
181	A	94.9	Very high	94.3	Very high	24 Å²	24	44.8 Å²	44.8	20%	0.198	21%	0.212	C	C	.	.	H	α-helix	trans	-65.3	-23.3	-179.5	0	0	0	0	0	114.1	P81 P83 A177 Q178 L183	P81-A181 HydrophobicContact CB-CB 4.31Å; P81-A181 HydrophobicContact CG-CB 4Å; P81-A181 WeakPolarHBondContact O-CB 3.49Å; P83-A181 HydrophobicContact CG-CB 4.01Å; A177-A181 PolarHBondContact O-N 2.95Å; A177-A181 VanDerWaalsContact O-N 3.11Å; Q178-A181 PolarHBondContact O-N 2.91Å; A181-L183 VanDerWaalsContact C-N 3.33Å
182	M	93.3	Very high	94.5	Very high	77 Å²	77	43.8 Å²	43.8	38%	0.379	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-5	177	-72.3	-172	72.9	0	0	113.8	I74 L76 Q178 A179 L180	I74-M182 HydrophobicContact CG2-CE 4.4Å; L76-M182 HydrophobicContact CD2-CG 4.42Å; L76-M182 HydrophobicContact CD2-SD 3.34Å; L76-M182 WeakPolarHBondContact CD2-SD 3.37Å; Q178-M182 WeakPolarHBondContact O-CG 3.41Å; Q178-M182 PolarHBondContact O-N 3.14Å; Q178-M182 VanDerWaalsContact O-N 3.08Å; A179-M182 PolarHBondContact O-N 2.95Å; L180-M182 PolarHBondContact O-N 3.35Å
183	L	94.1	Very high	94.7	Very high	8 Å²	8	40.5 Å²	40.5	4%	0.042	19%	0.194	C	C	.	.	S	Bend	trans	-66.1	133.6	177.3	-65	169.5	0	0	0	110.1	Y114 F119 P161 I163 L180 A181 R185 W186	Y114-L183 HydrophobicContact CD1-CD2 4.11Å; Y114-L183 HydrophobicContact CD2-CD1 4.45Å; Y114-L183 HydrophobicContact CE1-CB 4.02Å; Y114-L183 HydrophobicContact CE1-CD2 4.36Å; Y114-L183 HydrophobicContact CE2-CD1 4.21Å; Y114-L183 HydrophobicContact CG-CD2 4.29Å; F119-L183 HydrophobicContact CZ-CD2 4.35Å; P161-L183 HydrophobicContact CB-CD1 3.79Å; P161-L183 HydrophobicContact CG-CD1 3.77Å; I163-L183 HydrophobicContact CD1-CD1 4.45Å; L180-L183 HydrophobicContact CD2-CD1 4.25Å; L180-L183 WeakPolarHBondContact O-CB 2.92Å; L180-L183 WeakPolarHBondContact O-CG 3.38Å; L180-L183 PolarHBondContact O-N 3.36Å; L180-L183 VanDerWaalsContact O-N 3.14Å; A181-L183 VanDerWaalsContact C-N 3.33Å; L183-R185 PolarHBondContact O-N 2.84Å; L183-W186 HydrophobicContact CB-CB 4.13Å; L183-W186 HydrophobicContact CD1-CE3 3.98Å; L183-W186 HydrophobicContact CD1-CZ3 4.42Å; L183-W186 WeakPolarHBondContact O-CB 3.3Å; L183-W186 PolarHBondContact O-N 3.39Å
184	P	91.8	Very high	94.9	Very high	102 Å²	102	37.2 Å²	37.2	66%	0.662	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-19.6	-170.2	-29.4	33.9	0	0	0	116.9
185	R	91.3	Very high	95.1	Very high	119 Å²	119	31 Å²	31	45%	0.449	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.9	21.9	-179.9	-58.3	-68	-100.8	-89	-1.3	112.7	Y114 V153 L183 D187 H192	Y114-R185 WeakPolarHBondContact OH-CB 3.34Å; V153-R185 HydrophobicContact CG1-CG 4.49Å; L183-R185 PolarHBondContact O-N 2.84Å; R185-D187 PolarHBondContact O-N 2.87Å; R185-H192 PolarHBondContact O-CE1 3.34Å
186	W	93.9	Very high	95.2	Very high	25 Å²	25	29.3 Å²	29.3	10%	0.095	15%	0.146	C	C	.	.			trans	-69.7	68.8	175	-168.3	-94.3	0	0	0	112.2	P161 L180 L183 K188 H192 L194 R213 D214 A216	P161-W186 HydrophobicContact CG-CZ3 4.25Å; L180-W186 HydrophobicContact CB-CD2 4.28Å; L180-W186 HydrophobicContact CB-CE3 4.27Å; L180-W186 HydrophobicContact CB-CH2 3.96Å; L180-W186 HydrophobicContact CB-CZ2 3.96Å; L180-W186 HydrophobicContact CB-CZ3 4.11Å; L180-W186 HydrophobicContact CD1-CH2 4.1Å; L180-W186 HydrophobicContact CD1-CZ2 4.41Å; L180-W186 HydrophobicContact CD2-CE3 4.48Å; L180-W186 HydrophobicContact CD2-CH2 3.92Å; L180-W186 HydrophobicContact CD2-CZ3 3.77Å; L180-W186 HydrophobicContact CG-CH2 4.22Å; L180-W186 HydrophobicContact CG-CZ3 4.42Å; L180-W186 WeakPolarHBondContact O-CB 3.34Å; L180-W186 VanDerWaalsContact O-CD2 3.27Å; L183-W186 HydrophobicContact CB-CB 4.13Å; L183-W186 HydrophobicContact CD1-CE3 3.98Å; L183-W186 HydrophobicContact CD1-CZ3 4.42Å; L183-W186 WeakPolarHBondContact O-CB 3.3Å; L183-W186 PolarHBondContact O-N 3.39Å; W186-K188 PolarHBondContact O-N 3.22Å; W186-H192 HydrophobicContact CE3-CB 4.33Å; W186-H192 AromaticContact CE3-CD2 3.37Å; W186-H192 AromaticContact CE3-CG 3.75Å; W186-H192 AromaticContact CE3-NE2 3.84Å; W186-H192 HydrophobicContact CH2-CB 4.26Å; W186-H192 HydrophobicContact CZ3-CB 3.75Å; W186-H192 AromaticContact CZ3-CD2 3.51Å; W186-H192 AromaticContact CZ3-CG 3.67Å; W186-L194 HydrophobicContact CH2-CD1 4.49Å; W186-R213 HydrophobicContact CZ2-CB 4.42Å; W186-D214 PolarHBondContact NE1-OD2 3.14Å; W186-A216 HydrophobicContact CH2-CB 3.87Å; W186-A216 HydrophobicContact CZ2-CB 4.34Å
187	D	92.3	Very high	95.2	Very high	87 Å²	87	29.9 Å²	29.9	47%	0.465	15%	0.149	S	C	.	.	S	Bend	trans	-74.6	72.5	179.8	-174.7	15.2	0	0	0	110.8	R185 G189 M190	R185-D187 PolarHBondContact O-N 2.87Å; D187-G189 PolarHBondContact O-N 3.44Å; D187-G189 VanDerWaalsContact O-N 3.12Å; D187-M190 HydrophobicContact CB-CE 4.33Å; D187-M190 WeakPolarHBondContact O-CB 3.42Å; D187-M190 WeakPolarHBondContact O-CG 3.25Å; D187-M190 PolarHBondContact O-N 3.47Å; D187-M190 WeakPolarHBondContact OD2-CE 3.39Å
188	K	93.9	Very high	95.2	Very high	132 Å²	132	32 Å²	32	57%	0.574	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.8	40.5	-172.3	-57.5	-176.9	178.5	-173.3	0	111.9	W186 M190 D214 R215	W186-K188 PolarHBondContact O-N 3.22Å; K188-M190 PolarHBondContact O-N 2.81Å; K188-M190 VanDerWaalsContact O-N 3.13Å; K188-D214 WeakPolarHBondContact CA-OD2 3.26Å; K188-D214 HydrophobicContact CB-CB 4.16Å; K188-D214 WeakPolarHBondContact O-CB 3.14Å; K188-R215 VanDerWaalsContact O-CB 3.29Å; K188-R215 WeakPolarHBondContact O-CB 3.45Å; K188-R215 PolarHBondContact O-N 3.25Å
189	G	94.3	Very high	95.1	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.8	4.8	-178.9	0	0	0	0	0	116.1	D187 N191 H192 A216	D187-G189 PolarHBondContact O-N 3.44Å; D187-G189 VanDerWaalsContact O-N 3.12Å; G189-N191 PolarHBondContact O-N 2.8Å; G189-H192 WeakPolarHBondContact O-CB 3.37Å; G189-H192 PolarHBondContact O-N 3.34Å; G189-H192 VanDerWaalsContact O-N 3.1Å; G189-A216 WeakPolarHBondContact O-CA 3.35Å; G189-A216 PolarHBondContact O-N 2.72Å
190	M	95.3	Very high	95	Very high	36 Å²	36	31.9 Å²	31.9	18%	0.177	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	134.5	178.8	-67.3	-169	-60	0	0	110.8	D187 K188 H192 R215	D187-M190 HydrophobicContact CB-CE 4.33Å; D187-M190 WeakPolarHBondContact O-CB 3.42Å; D187-M190 WeakPolarHBondContact O-CG 3.25Å; D187-M190 PolarHBondContact O-N 3.47Å; D187-M190 WeakPolarHBondContact OD2-CE 3.39Å; K188-M190 PolarHBondContact O-N 2.81Å; K188-M190 VanDerWaalsContact O-N 3.13Å; M190-H192 PolarHBondContact O-N 2.81Å; M190-H192 PolarHBondContact O-ND1 3.36Å; M190-R215 HydrophobicContact CG-CB 4.25Å
191	N	96.3	Very high	94.6	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	13.1	-176.7	-62.4	38.8	0	0	0	115.5	F96 D97 C157 L158 F159 G189	F96-N191 HydrophobicContact CD2-CB 4.45Å; F96-N191 HydrophobicContact CE2-CB 4.05Å; D97-N191 PolarHBondContact N-OD1 2.85Å; D97-N191 PolarHBondContact O-ND2 3.4Å; C157-N191 VanDerWaalsContact O-CB 3.3Å; C157-N191 WeakPolarHBondContact O-CB 3.4Å; C157-N191 PolarHBondContact O-ND2 2.7Å; L158-N191 WeakPolarHBondContact CA-O 3.36Å; F159-N191 HydrophobicContact CD2-CB 4.38Å; F159-N191 PolarHBondContact N-O 2.75Å; G189-N191 PolarHBondContact O-N 2.8Å
192	H	97.8	Very high	94.2	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-89	136.7	172.9	-70.3	64.3	0	0	0	110.2	Y114 F159 R185 W186 G189 M190 A216 L217	Y114-H192 AromaticContact CE2-CD2 3.89Å; Y114-H192 AromaticContact CE2-NE2 3.6Å; Y114-H192 AromaticContact CZ-NE2 3.67Å; Y114-H192 PolarHBondContact OH-NE2 3.45Å; F159-H192 WeakPolarHBondContact O-CA 3.25Å; R185-H192 PolarHBondContact O-CE1 3.34Å; W186-H192 HydrophobicContact CE3-CB 4.33Å; W186-H192 AromaticContact CE3-CD2 3.37Å; W186-H192 AromaticContact CE3-CG 3.75Å; W186-H192 AromaticContact CE3-NE2 3.84Å; W186-H192 HydrophobicContact CH2-CB 4.26Å; W186-H192 HydrophobicContact CZ3-CB 3.75Å; W186-H192 AromaticContact CZ3-CD2 3.51Å; W186-H192 AromaticContact CZ3-CG 3.67Å; G189-H192 WeakPolarHBondContact O-CB 3.37Å; G189-H192 PolarHBondContact O-N 3.34Å; G189-H192 VanDerWaalsContact O-N 3.1Å; M190-H192 PolarHBondContact O-N 2.81Å; M190-H192 PolarHBondContact O-ND1 3.36Å; H192-A216 HydrophobicContact CB-CB 4.05Å; H192-A216 CarbonylContact O-C 3.54Å; H192-A216 WeakPolarHBondContact O-CA 3.22Å; H192-L217 VanDerWaalsContact O-CD1 3.24Å; H192-L217 WeakPolarHBondContact O-CD1 3.35Å; H192-L217 PolarHBondContact O-N 2.96Å
193	L	98.4	Very high	93.8	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	121.9	177.7	177.9	63.9	0	0	0	110	F159 I160 F195 L217 A219 T416 L417 I420	F159-L193 PolarHBondContact O-N 2.93Å; I160-L193 HydrophobicContact CG1-CB 4.34Å; L193-F195 HydrophobicContact CD2-CE2 3.58Å; L193-F195 HydrophobicContact CD2-CZ 3.69Å; L193-F195 HydrophobicContact CG-CD2 4.33Å; L193-F195 HydrophobicContact CG-CE2 3.78Å; L193-F195 HydrophobicContact CG-CZ 4.26Å; L193-L217 HydrophobicContact CD1-CB 3.78Å; L193-A219 HydrophobicContact CD1-CB 4.08Å; L193-T416 HydrophobicContact CD2-CG2 4.11Å; L193-L417 HydrophobicContact CD2-CD2 4Å; L193-I420 HydrophobicContact CD1-CD1 4.11Å; L193-I420 HydrophobicContact CD2-CD1 3.8Å
194	L	98.2	Very high	93.4	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	140.3	174.6	-56.9	-177.5	0	0	0	110.1	P161 V165 L180 W186 L209 R213 A216 L217 L218 A219	P161-L194 HydrophobicContact CG-CD2 3.77Å; V165-L194 HydrophobicContact CG2-CB 4.2Å; L180-L194 HydrophobicContact CD1-CD1 4.16Å; L180-L194 HydrophobicContact CD2-CD2 4.02Å; W186-L194 HydrophobicContact CH2-CD1 4.49Å; L194-L209 HydrophobicContact CD1-CD2 4.18Å; L194-R213 HydrophobicContact CD1-CB 3.86Å; L194-R213 HydrophobicContact CD1-CG 4.5Å; L194-A216 HydrophobicContact CD1-CB 4.32Å; L194-A216 HydrophobicContact CG-CB 4.34Å; L194-L217 PolarHBondContact N-O 3.31Å; L194-L218 HydrophobicContact CB-CD1 4.1Å; L194-A219 PolarHBondContact O-N 3.08Å
195	F	98.3	Very high	93.3	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	120.6	174.7	-71.7	-99.4	0	0	0	109.9	Y136 L139 I143 I160 V165 L166 L193 A219 I236 T416	Y136-F195 HydrophobicContact CE2-CB 4.37Å; L139-F195 HydrophobicContact CD1-CE1 4.33Å; L139-F195 HydrophobicContact CD2-CB 3.95Å; L139-F195 HydrophobicContact CD2-CD1 3.84Å; L139-F195 HydrophobicContact CD2-CD2 3.8Å; L139-F195 HydrophobicContact CD2-CE1 4.26Å; L139-F195 HydrophobicContact CD2-CE2 4.22Å; L139-F195 HydrophobicContact CD2-CG 3.59Å; L139-F195 HydrophobicContact CD2-CZ 4.43Å; I143-F195 HydrophobicContact CD1-CE2 4.45Å; I160-F195 HydrophobicContact CD1-CE2 4.13Å; V165-F195 CarbonylContact C-O 3.06Å; V165-F195 WeakPolarHBondContact CG2-O 3.42Å; L166-F195 HydrophobicContact CD2-CB 3.83Å; L166-F195 PolarHBondContact N-O 2.86Å; L193-F195 HydrophobicContact CD2-CE2 3.58Å; L193-F195 HydrophobicContact CD2-CZ 3.69Å; L193-F195 HydrophobicContact CG-CD2 4.33Å; L193-F195 HydrophobicContact CG-CE2 3.78Å; L193-F195 HydrophobicContact CG-CZ 4.26Å; F195-A219 WeakPolarHBondContact CA-O 3.33Å; F195-A219 HydrophobicContact CD1-CB 3.55Å; F195-A219 HydrophobicContact CE1-CB 3.76Å; F195-A219 HydrophobicContact CG-CB 4.04Å; F195-A219 HydrophobicContact CZ-CB 4.4Å; F195-I236 HydrophobicContact CD1-CD1 4.11Å; F195-T416 HydrophobicContact CE1-CG2 3.84Å; F195-T416 HydrophobicContact CZ-CG2 3.92Å
196	N	97.3	Very high	93.3	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	119.5	176.2	176	-93.1	0	0	0	110	V165 L166 L198 P199 L209 L218 A219 G220 G221	V165-N196 WeakPolarHBondContact O-CB 3.22Å; V165-N196 PolarHBondContact O-ND2 3.15Å; L166-N196 PolarHBondContact O-ND2 3.24Å; N196-L198 PolarHBondContact ND2-O 3.49Å; N196-P199 VanDerWaalsContact OD1-CA 3.27Å; N196-P199 WeakPolarHBondContact OD1-CA 3.49Å; N196-P199 VanDerWaalsContact OD1-CB 3.25Å; N196-P199 WeakPolarHBondContact OD1-CB 3.44Å; N196-P199 VanDerWaalsContact OD1-CD 3.27Å; N196-P199 WeakPolarHBondContact OD1-CD 3.18Å; N196-L209 HydrophobicContact CB-CB 4.32Å; N196-L218 HydrophobicContact CB-CD1 3.93Å; N196-A219 PolarHBondContact N-O 2.93Å; N196-G220 CarbonylContact O-C 3.38Å; N196-G220 WeakPolarHBondContact O-CA 3.43Å; N196-G221 PolarHBondContact O-N 3.01Å
197	M	95.9	Very high	93.4	Very high	11 Å²	11	39.9 Å²	39.9	5%	0.054	22%	0.217	C	C	.	.	S	Bend	trans	-95.2	-33.7	178	-70.2	-178.3	172.1	0	0	112.1	L166 P199 I236 P237 V238 Y239 M409 I412	L166-M197 HydrophobicContact CD2-CG 4.15Å; L166-M197 HydrophobicContact CD2-SD 4.41Å; L166-M197 PolarHBondContact O-N 2.81Å; M197-P199 WeakPolarHBondContact O-CD 3.37Å; M197-I236 HydrophobicContact CE-CD1 4.23Å; M197-I236 HydrophobicContact CG-CD1 3.99Å; M197-P237 WeakPolarHBondContact CE-O 3.35Å; M197-V238 HydrophobicContact CB-CG1 4.46Å; M197-V238 WeakPolarHBondContact O-CG2 3.39Å; M197-Y239 PolarHBondContact SD-N 2.84Å; M197-M409 HydrophobicContact CE-CE 3.56Å; M197-M409 HydrophobicContact CE-SD 3.5Å; M197-M409 WeakPolarHBondContact CE-SD 3.22Å; M197-M409 HydrophobicContact SD-CE 4.49Å; M197-M409 HydrophobicContact SD-SD 4.23Å; M197-I412 HydrophobicContact CE-CD1 3.87Å; M197-I412 HydrophobicContact CE-CG2 4.13Å
198	L	95.2	Very high	93.5	Very high	44 Å²	44	36.3 Å²	36.3	23%	0.23	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-121.2	85.7	-176.1	-58.6	175.4	0	0	0	109.8	L166 N167 Q168 N196 V238	L166-L198 PolarHBondContact O-N 3.34Å; N167-L198 HydrophobicContact CB-CD1 4.29Å; Q168-L198 WeakPolarHBondContact CB-O 3.29Å; Q168-L198 PolarHBondContact N-O 2.66Å; Q168-L198 VanDerWaalsContact N-O 3.07Å; N196-L198 PolarHBondContact ND2-O 3.49Å; L198-V238 HydrophobicContact CD2-CG1 3.72Å; L198-V238 HydrophobicContact CD2-CG2 4.42Å; L198-V238 HydrophobicContact CG-CG1 4.45Å
199	P	94.9	Very high	93.5	Very high	3 Å²	3	30.3 Å²	30.3	2%	0.019	17%	0.174	C	C	.	.			trans	-78.5	163.5	176	30.9	-33.6	0	0	0	111.6	N196 M197 N206 A208 R331	N196-P199 VanDerWaalsContact OD1-CA 3.27Å; N196-P199 WeakPolarHBondContact OD1-CA 3.49Å; N196-P199 VanDerWaalsContact OD1-CB 3.25Å; N196-P199 WeakPolarHBondContact OD1-CB 3.44Å; N196-P199 VanDerWaalsContact OD1-CD 3.27Å; N196-P199 WeakPolarHBondContact OD1-CD 3.18Å; M197-P199 WeakPolarHBondContact O-CD 3.37Å; P199-N206 CarbonylContact C-O 3.6Å; P199-N206 WeakPolarHBondContact CB-O 3.29Å; P199-A208 WeakPolarHBondContact CB-O 3.4Å; P199-R331 PolarHBondContact O-NE 2.84Å
200	G	91.6	Very high	93.6	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.186	C	C	.	.			trans	71.7	155.2	173	0	0	0	0	0	114	Q168 N206 R331	Q168-G200 VanDerWaalsContact NE2-C 3.33Å; G200-N206 PolarHBondContact N-O 2.97Å; G200-R331 PolarHBondContact O-NH2 3.44Å
201	G	88.7	Confident	93.6	Very high	17 Å²	17	30.9 Å²	30.9	18%	0.175	18%	0.178	C	C	.	.			trans	-126.9	168.7	170.4	0	0	0	0	0	111.4	D204 Y205	G201-D204 PolarHBondContact O-N 3.28Å; G201-Y205 PolarHBondContact O-N 2.92Å
202	P	85.6	Confident	93.6	Very high	92 Å²	92	31.7 Å²	31.7	60%	0.597	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	143.3	170	-12.9	23.6	0	0	0	110.8	Y205	P202-Y205 HydrophobicContact CB-CE2 4.25Å; P202-Y205 HydrophobicContact CG-CE1 4.33Å; P202-Y205 HydrophobicContact CG-CE2 4.48Å
203	P	85.9	Confident	93.4	Very high	110 Å²	110	32.5 Å²	32.5	71%	0.714	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	cis	-88.8	-17.6	0.8	34.1	-33.6	0	0	0	114.7	Y205	P203-Y205 WeakPolarHBondContact O-CD2 3.47Å
204	D	84.3	Confident	93.3	Very high	124 Å²	124	33.5 Å²	33.5	66%	0.663	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-28.2	-163.3	-58.9	-44.2	0	0	0	114.5	G201 N206	G201-D204 PolarHBondContact O-N 3.28Å; D204-N206 PolarHBondContact O-N 3.06Å
205	Y	89.1	Confident	93.2	Very high	75 Å²	75	37.9 Å²	37.9	29%	0.294	21%	0.208	S	C	.	.			trans	46.8	54.4	-178.4	-64	-84.2	0	0	0	114	G201 P202 P203 A330 R331	G201-Y205 PolarHBondContact O-N 2.92Å; P202-Y205 HydrophobicContact CB-CE2 4.25Å; P202-Y205 HydrophobicContact CG-CE1 4.33Å; P202-Y205 HydrophobicContact CG-CE2 4.48Å; P203-Y205 WeakPolarHBondContact O-CD2 3.47Å; Y205-A330 VanDerWaalsContact CB-O 3.24Å; Y205-A330 WeakPolarHBondContact CB-O 3.41Å; Y205-A330 HydrophobicContact CD1-CB 4.36Å; Y205-A330 HydrophobicContact CD2-CB 4.07Å; Y205-A330 HydrophobicContact CE1-CB 4.32Å; Y205-A330 HydrophobicContact CE2-CB 4.03Å; Y205-A330 HydrophobicContact CG-CB 4.21Å; Y205-R331 HydrophobicContact CD1-CG 3.97Å
206	N	93.3	Very high	93.1	Very high	75 Å²	75	37.9 Å²	37.9	40%	0.401	21%	0.208	S	C	.	.			trans	-48.9	143.6	177.7	-67.8	-41.1	0	0	0	112.8	P199 G200 D204 A208 D210	P199-N206 CarbonylContact C-O 3.6Å; P199-N206 WeakPolarHBondContact CB-O 3.29Å; G200-N206 PolarHBondContact N-O 2.97Å; D204-N206 PolarHBondContact O-N 3.06Å; N206-A208 PolarHBondContact O-N 2.84Å; N206-D210 VanDerWaalsContact CB-OD1 3.29Å; N206-D210 WeakPolarHBondContact CB-OD1 3.49Å; N206-D210 PolarHBondContact ND2-OD1 2.99Å
207	T	94.1	Very high	93.1	Very high	30 Å²	30	38 Å²	38	18%	0.184	21%	0.208	C	C	.	.	S	Bend	trans	-83.4	4.6	-173.5	56.9	0	0	0	0	113.6	G222 F223 S224 T227 L332	T207-G222 WeakPolarHBondContact CA-O 3.37Å; T207-G222 WeakPolarHBondContact CB-O 3.48Å; T207-G222 CarbonylContact O-C 3.58Å; T207-G222 VanDerWaalsContact O-O 3.05Å; T207-F223 VanDerWaalsContact O-CA 3.28Å; T207-F223 WeakPolarHBondContact O-CA 3.31Å; T207-F223 PolarHBondContact O-N 3.1Å; T207-S224 PolarHBondContact OG1-OG 3.41Å; T207-T227 WeakPolarHBondContact OG1-CB 3.27Å; T207-T227 WeakPolarHBondContact OG1-CG2 3.18Å; T207-T227 PolarHBondContact OG1-OG1 2.78Å; T207-L332 HydrophobicContact CG2-CD1 3.59Å; T207-L332 HydrophobicContact CG2-CG 4.08Å
208	A	94.3	Very high	93.2	Very high	13 Å²	13	37.5 Å²	37.5	11%	0.107	21%	0.206	C	C	.	.	S	Bend	trans	-140.2	164.2	171.3	0	0	0	0	0	109.9	P199 N206 D210 L218 F223 T227	P199-A208 WeakPolarHBondContact CB-O 3.4Å; N206-A208 PolarHBondContact O-N 2.84Å; A208-D210 PolarHBondContact O-N 3.2Å; A208-L218 HydrophobicContact CB-CD2 4.18Å; A208-F223 HydrophobicContact CB-CD1 4.4Å; A208-F223 HydrophobicContact CB-CE1 4.15Å; A208-T227 HydrophobicContact CB-CG2 4.43Å
209	L	95.2	Very high	93.4	Very high	5 Å²	5	35.4 Å²	35.4	3%	0.026	20%	0.195	C	C	.	.			trans	-58.1	126.7	-180	177.8	64.9	0	0	0	111.3	V165 Q168 L171 L194 N196 V211 R213 L218	V165-L209 HydrophobicContact CB-CD2 4.28Å; V165-L209 HydrophobicContact CG2-CD2 4.11Å; Q168-L209 HydrophobicContact CG-CD1 4.27Å; L171-L209 HydrophobicContact CD1-CD1 4.43Å; L194-L209 HydrophobicContact CD1-CD2 4.18Å; N196-L209 HydrophobicContact CB-CB 4.32Å; L209-V211 VanDerWaalsContact C-N 3.32Å; L209-V211 HydrophobicContact CD1-CB 4.09Å; L209-V211 HydrophobicContact CD1-CG2 3.8Å; L209-V211 HydrophobicContact CD2-CB 4.06Å; L209-V211 HydrophobicContact CG-CB 3.87Å; L209-V211 HydrophobicContact CG-CG2 4.16Å; L209-R213 PolarHBondContact O-NH1 2.91Å; L209-L218 HydrophobicContact CB-CD1 4.12Å; L209-L218 HydrophobicContact CB-CD2 4.01Å; L209-L218 HydrophobicContact CD2-CD1 4.23Å
210	D	95.1	Very high	93.5	Very high	48 Å²	48	35.3 Å²	35.3	26%	0.257	20%	0.195	S	C	.	.			trans	-75.9	-20.4	-179.3	-72.1	-27.8	0	0	0	113.5	Q168 I173 N206 A208 P212	Q168-D210 VanDerWaalsContact NE2-CG 3.35Å; Q168-D210 PolarHBondContact NE2-OD2 2.88Å; I173-D210 HydrophobicContact CD1-CB 4.02Å; N206-D210 VanDerWaalsContact CB-OD1 3.29Å; N206-D210 WeakPolarHBondContact CB-OD1 3.49Å; N206-D210 PolarHBondContact ND2-OD1 2.99Å; A208-D210 PolarHBondContact O-N 3.2Å; D210-P212 WeakPolarHBondContact O-CD 3.19Å
211	V	95.4	Very high	93.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.195	C	C	.	.	S	Bend	trans	-60.9	119.2	175.7	-177.7	0	0	0	0	109	L171 I173 T176 A177 L180 L209 R213	L171-V211 HydrophobicContact CD1-CG2 4.09Å; I173-V211 HydrophobicContact CG2-CG2 4.29Å; T176-V211 HydrophobicContact CG2-CG1 4Å; T176-V211 HydrophobicContact CG2-CG2 4.21Å; A177-V211 HydrophobicContact CB-CG1 3.89Å; L180-V211 HydrophobicContact CD1-CG1 3.91Å; L209-V211 VanDerWaalsContact C-N 3.32Å; L209-V211 HydrophobicContact CD1-CB 4.09Å; L209-V211 HydrophobicContact CD1-CG2 3.8Å; L209-V211 HydrophobicContact CD2-CB 4.06Å; L209-V211 HydrophobicContact CG-CB 3.87Å; L209-V211 HydrophobicContact CG-CG2 4.16Å; V211-R213 PolarHBondContact O-N 2.87Å; V211-R213 PolarHBondContact O-NH1 2.77Å
212	P	96.3	Very high	94	Very high	18 Å²	18	34.6 Å²	34.6	12%	0.117	19%	0.187	C	C	.	.			trans	-55.2	136.8	171.4	-25.6	34.6	0	0	0	111	I82 P83 A177 D210	I82-P212 HydrophobicContact CG2-CB 4.43Å; I82-P212 HydrophobicContact CG2-CG 4.4Å; P83-P212 HydrophobicContact CB-CB 4.04Å; P83-P212 WeakPolarHBondContact O-CB 3.35Å; A177-P212 HydrophobicContact CB-CB 4.25Å; A177-P212 HydrophobicContact CB-CG 4.24Å; D210-P212 WeakPolarHBondContact O-CD 3.19Å
213	R	95.3	Very high	94.6	Very high	16 Å²	16	30.2 Å²	30.2	6%	0.06	16%	0.159	C	C	.	.			trans	-150.3	16.7	-167	68	-175.3	174.6	-73.8	0.2	114.2	E84 W186 L194 L209 V211 R215 A216	E84-R213 PolarHBondContact O-N 2.96Å; W186-R213 HydrophobicContact CZ2-CB 4.42Å; L194-R213 HydrophobicContact CD1-CB 3.86Å; L194-R213 HydrophobicContact CD1-CG 4.5Å; L209-R213 PolarHBondContact O-NH1 2.91Å; V211-R213 PolarHBondContact O-N 2.87Å; V211-R213 PolarHBondContact O-NH1 2.77Å; R213-R215 PolarHBondContact O-N 3.1Å; R213-A216 HydrophobicContact CB-CB 4.2Å; R213-A216 HydrophobicContact CG-CB 4.37Å; R213-A216 VanDerWaalsContact O-CB 3.27Å; R213-A216 WeakPolarHBondContact O-CB 3.47Å; R213-A216 PolarHBondContact O-N 3.23Å
214	D	94.9	Very high	95	Very high	22 Å²	22	25.3 Å²	25.3	12%	0.118	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.9	-123.1	-177.5	-58.7	-53.4	0	0	0	111.9	P83 E84 G86 W186 K188	P83-D214 WeakPolarHBondContact CA-OD1 3.41Å; P83-D214 WeakPolarHBondContact CB-OD2 3.46Å; E84-D214 PolarHBondContact N-OD1 2.88Å; E84-D214 PolarHBondContact O-N 3.03Å; G86-D214 WeakPolarHBondContact CA-O 3.4Å; W186-D214 PolarHBondContact NE1-OD2 3.14Å; K188-D214 WeakPolarHBondContact CA-OD2 3.26Å; K188-D214 HydrophobicContact CB-CB 4.16Å; K188-D214 WeakPolarHBondContact O-CB 3.14Å
215	R	95.8	Very high	95.4	Very high	93 Å²	93	23.4 Å²	23.4	35%	0.351	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	4.7	-177.5	-59.7	178.5	178.5	-174	-3.6	113.8	C95 K188 M190 R213 L217 Y232	C95-R215 HydrophobicContact CB-CB 4.08Å; C95-R215 HydrophobicContact CB-CG 4.27Å; K188-R215 VanDerWaalsContact O-CB 3.29Å; K188-R215 WeakPolarHBondContact O-CB 3.45Å; K188-R215 PolarHBondContact O-N 3.25Å; M190-R215 HydrophobicContact CG-CB 4.25Å; R213-R215 PolarHBondContact O-N 3.1Å; R215-L217 PolarHBondContact O-N 2.89Å; R215-Y232 WeakPolarHBondContact O-CE1 3.35Å; R215-Y232 PolarHBondContact O-OH 2.98Å
216	A	97.3	Very high	95.4	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.144	C	C	.	.			trans	-56.3	139.8	-176.1	0	0	0	0	0	112.6	W186 G189 H192 L194 R213 R229	W186-A216 HydrophobicContact CH2-CB 3.87Å; W186-A216 HydrophobicContact CZ2-CB 4.34Å; G189-A216 WeakPolarHBondContact O-CA 3.35Å; G189-A216 PolarHBondContact O-N 2.72Å; H192-A216 HydrophobicContact CB-CB 4.05Å; H192-A216 CarbonylContact O-C 3.54Å; H192-A216 WeakPolarHBondContact O-CA 3.22Å; L194-A216 HydrophobicContact CD1-CB 4.32Å; L194-A216 HydrophobicContact CG-CB 4.34Å; R213-A216 HydrophobicContact CB-CB 4.2Å; R213-A216 HydrophobicContact CG-CB 4.37Å; R213-A216 VanDerWaalsContact O-CB 3.27Å; R213-A216 WeakPolarHBondContact O-CB 3.47Å; R213-A216 PolarHBondContact O-N 3.23Å; A216-R229 PolarHBondContact O-NH2 2.98Å
217	L	97.6	Very high	95.5	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	144.2	170.2	-59.5	88.6	0	0	0	108.8	F96 H192 L193 L194 R215 Y232 I420	F96-L217 HydrophobicContact CD2-CD1 3.84Å; F96-L217 HydrophobicContact CD2-CD2 4.46Å; F96-L217 HydrophobicContact CE2-CD1 4.03Å; H192-L217 VanDerWaalsContact O-CD1 3.24Å; H192-L217 WeakPolarHBondContact O-CD1 3.35Å; H192-L217 PolarHBondContact O-N 2.96Å; L193-L217 HydrophobicContact CD1-CB 3.78Å; L194-L217 PolarHBondContact N-O 3.31Å; R215-L217 PolarHBondContact O-N 2.89Å; L217-Y232 WeakPolarHBondContact CD2-O 3.41Å; L217-Y232 HydrophobicContact CG-CE1 4.16Å; L217-I420 HydrophobicContact CD2-CD1 4.28Å
218	L	97.9	Very high	95.5	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	117.6	175.5	-174.3	64.9	0	0	0	109.5	L194 N196 A208 L209 G220 F223 D233 V234	L194-L218 HydrophobicContact CB-CD1 4.1Å; N196-L218 HydrophobicContact CB-CD1 3.93Å; A208-L218 HydrophobicContact CB-CD2 4.18Å; L209-L218 HydrophobicContact CB-CD1 4.12Å; L209-L218 HydrophobicContact CB-CD2 4.01Å; L209-L218 HydrophobicContact CD2-CD1 4.23Å; L218-G220 PolarHBondContact O-N 3.48Å; L218-F223 HydrophobicContact CB-CZ 3.96Å; L218-F223 HydrophobicContact CD2-CE1 3.83Å; L218-F223 HydrophobicContact CD2-CZ 3.7Å; L218-F223 HydrophobicContact CG-CE1 4.45Å; L218-F223 HydrophobicContact CG-CZ 3.82Å; L218-D233 PolarHBondContact N-OD1 3.36Å; L218-D233 VanDerWaalsContact O-CB 3.29Å; L218-D233 WeakPolarHBondContact O-CB 3.28Å; L218-V234 PolarHBondContact O-N 2.88Å
219	A	98.5	Very high	95.5	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	96.3	160.2	0	0	0	0	0	107.4	L193 L194 F195 N196 V234 I236 T416	L193-A219 HydrophobicContact CD1-CB 4.08Å; L194-A219 PolarHBondContact O-N 3.08Å; F195-A219 WeakPolarHBondContact CA-O 3.33Å; F195-A219 HydrophobicContact CD1-CB 3.55Å; F195-A219 HydrophobicContact CE1-CB 3.76Å; F195-A219 HydrophobicContact CG-CB 4.04Å; F195-A219 HydrophobicContact CZ-CB 4.4Å; N196-A219 PolarHBondContact N-O 2.93Å; A219-V234 CarbonylContact C-O 3.23Å; A219-V234 VanDerWaalsContact CA-O 3.22Å; A219-V234 WeakPolarHBondContact CA-O 3.47Å; A219-I236 HydrophobicContact CB-CD1 4.12Å; A219-I236 HydrophobicContact CB-CG2 3.86Å; A219-I236 VanDerWaalsContact O-CD1 3.27Å; A219-I236 WeakPolarHBondContact O-CD1 3.49Å; A219-T416 HydrophobicContact CB-CG2 3.88Å
220	G	97.6	Very high	95.1	Very high	2 Å²	2	34.2 Å²	34.2	2%	0.021	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	134.7	-164.9	0	0	0	0	0	113.5	N196 L218 F223 V234 S235 I236	N196-G220 CarbonylContact O-C 3.38Å; N196-G220 WeakPolarHBondContact O-CA 3.43Å; L218-G220 PolarHBondContact O-N 3.48Å; G220-F223 WeakPolarHBondContact O-CD2 3.24Å; G220-V234 PolarHBondContact N-O 3.04Å; G220-S235 WeakPolarHBondContact O-CA 3.12Å; G220-I236 PolarHBondContact O-N 3.3Å
221	G	96.4	Very high	94.6	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.162	C	C	.	.	S	Bend	trans	-90	-15	-179.5	0	0	0	0	0	116.1	N196 I236 G333	N196-G221 PolarHBondContact O-N 3.01Å; G221-I236 VanDerWaalsContact CA-O 3.25Å; G221-I236 WeakPolarHBondContact CA-O 3.34Å; G221-G333 WeakPolarHBondContact O-CA 3.42Å
222	G	94.6	Very high	94.6	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.01	16%	0.162	C	C	.	.	S	Bend	trans	-116.9	13.8	-169.8	0	0	0	0	0	115.7	T207	T207-G222 WeakPolarHBondContact CA-O 3.37Å; T207-G222 WeakPolarHBondContact CB-O 3.48Å; T207-G222 CarbonylContact O-C 3.58Å; T207-G222 VanDerWaalsContact O-O 3.05Å
223	F	96.9	Very high	94.6	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.157	C	C	.	.			trans	-57	139.9	-171.4	-78.1	-54.8	0	0	0	114	T207 A208 L218 G220 Y228 D233 Y354 I355	T207-F223 VanDerWaalsContact O-CA 3.28Å; T207-F223 WeakPolarHBondContact O-CA 3.31Å; T207-F223 PolarHBondContact O-N 3.1Å; A208-F223 HydrophobicContact CB-CD1 4.4Å; A208-F223 HydrophobicContact CB-CE1 4.15Å; L218-F223 HydrophobicContact CB-CZ 3.96Å; L218-F223 HydrophobicContact CD2-CE1 3.83Å; L218-F223 HydrophobicContact CD2-CZ 3.7Å; L218-F223 HydrophobicContact CG-CE1 4.45Å; L218-F223 HydrophobicContact CG-CZ 3.82Å; G220-F223 WeakPolarHBondContact O-CD2 3.24Å; F223-Y228 HydrophobicContact CB-CD2 4.22Å; F223-Y228 HydrophobicContact CB-CG 4.42Å; F223-Y228 HydrophobicContact CD1-CD2 4.25Å; F223-Y228 AromaticContact CD2-CD2 3.63Å; F223-Y228 HydrophobicContact CD2-CD2 3.63Å; F223-Y228 HydrophobicContact CD2-CE2 4.2Å; F223-Y228 AromaticContact CE2-CD2 3.92Å; F223-Y228 HydrophobicContact CE2-CD2 3.92Å; F223-Y228 HydrophobicContact CE2-CE2 4.29Å; F223-Y228 AromaticContact CG-CD2 3.8Å; F223-Y228 HydrophobicContact CG-CD2 3.8Å; F223-Y228 HydrophobicContact CG-CG 4.4Å; F223-Y228 HydrophobicContact CZ-CD2 4.37Å; F223-D233 HydrophobicContact CE1-CB 4.48Å; F223-D233 HydrophobicContact CE2-CB 3.95Å; F223-D233 HydrophobicContact CZ-CB 3.66Å; F223-Y354 WeakPolarHBondContact O-CD2 3.25Å; F223-I355 HydrophobicContact CB-CB 4.01Å; F223-I355 HydrophobicContact CB-CG1 4.19Å; F223-I355 PolarHBondContact O-N 3.22Å
224	S	95.7	Very high	94.8	Very high	7 Å²	7	31.9 Å²	31.9	5%	0.049	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-105.9	165.8	162.4	64.5	0	0	0	0	110.9	T207 W226 T227 Y228 S353	T207-S224 PolarHBondContact OG1-OG 3.41Å; S224-W226 PolarHBondContact O-N 2.99Å; S224-T227 PolarHBondContact N-OG1 2.95Å; S224-T227 PolarHBondContact O-N 3.49Å; S224-T227 VanDerWaalsContact O-N 3.07Å; S224-T227 PolarHBondContact O-OG1 3.43Å; S224-T227 PolarHBondContact OG-OG1 3.08Å; S224-Y228 VanDerWaalsContact O-CB 3.26Å; S224-Y228 WeakPolarHBondContact O-CB 3.41Å; S224-Y228 PolarHBondContact O-N 2.89Å; S224-S353 CarbonylContact C-O 3.55Å; S224-S353 WeakPolarHBondContact CA-O 3.25Å
225	T	91.1	Very high	94.9	Very high	84 Å²	84	30.9 Å²	30.9	52%	0.515	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-24	172.7	51.4	0	0	0	0	113.7	S353 I355	T225-S353 PolarHBondContact N-O 3.37Å; T225-S353 WeakPolarHBondContact OG1-CB 3.24Å; T225-I355 HydrophobicContact CG2-CD1 3.72Å
226	W	91	Very high	95	Very high	210 Å²	210	26.4 Å²	26.4	80%	0.795	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-29.6	179.2	-60.6	101.5	0	0	0	114.3	S224	S224-W226 PolarHBondContact O-N 2.99Å
227	T	94.3	Very high	95	Very high	29 Å²	29	26.5 Å²	26.5	18%	0.178	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	-16.9	-175.1	55.9	0	0	0	0	113.3	T207 A208 S224 R229	T207-T227 WeakPolarHBondContact OG1-CB 3.27Å; T207-T227 WeakPolarHBondContact OG1-CG2 3.18Å; T207-T227 PolarHBondContact OG1-OG1 2.78Å; A208-T227 HydrophobicContact CB-CG2 4.43Å; S224-T227 PolarHBondContact N-OG1 2.95Å; S224-T227 PolarHBondContact O-N 3.49Å; S224-T227 VanDerWaalsContact O-N 3.07Å; S224-T227 PolarHBondContact O-OG1 3.43Å; S224-T227 PolarHBondContact OG-OG1 3.08Å; T227-R229 PolarHBondContact O-N 3.4Å
228	Y	94.4	Very high	94.9	Very high	31 Å²	31	27 Å²	27	12%	0.122	14%	0.135	C	C	.	.			trans	-74.8	117.5	178.9	-174.9	-126	0	0	0	112	F223 S224 Q230 D233 I355	F223-Y228 HydrophobicContact CB-CD2 4.22Å; F223-Y228 HydrophobicContact CB-CG 4.42Å; F223-Y228 HydrophobicContact CD1-CD2 4.25Å; F223-Y228 AromaticContact CD2-CD2 3.63Å; F223-Y228 HydrophobicContact CD2-CD2 3.63Å; F223-Y228 HydrophobicContact CD2-CE2 4.2Å; F223-Y228 AromaticContact CE2-CD2 3.92Å; F223-Y228 HydrophobicContact CE2-CD2 3.92Å; F223-Y228 HydrophobicContact CE2-CE2 4.29Å; F223-Y228 AromaticContact CG-CD2 3.8Å; F223-Y228 HydrophobicContact CG-CD2 3.8Å; F223-Y228 HydrophobicContact CG-CG 4.4Å; F223-Y228 HydrophobicContact CZ-CD2 4.37Å; S224-Y228 VanDerWaalsContact O-CB 3.26Å; S224-Y228 WeakPolarHBondContact O-CB 3.41Å; S224-Y228 PolarHBondContact O-N 2.89Å; Y228-Q230 HydrophobicContact CD1-CB 4.32Å; Y228-Q230 HydrophobicContact CE1-CB 4.11Å; Y228-Q230 HydrophobicContact CE1-CG 4.28Å; Y228-Q230 PolarHBondContact O-N 2.86Å; Y228-Q230 VanDerWaalsContact O-N 3.17Å; Y228-D233 HydrophobicContact CD2-CB 4.07Å; Y228-D233 HydrophobicContact CE2-CB 3.9Å; Y228-D233 WeakPolarHBondContact CE2-O 3.42Å; Y228-D233 PolarHBondContact OH-O 2.82Å; Y228-I355 HydrophobicContact CD1-CD1 4.29Å; Y228-I355 HydrophobicContact CD1-CG1 3.97Å; Y228-I355 HydrophobicContact CD1-CG2 3.89Å; Y228-I355 HydrophobicContact CD2-CG2 4.43Å; Y228-I355 HydrophobicContact CE1-CG2 3.99Å; Y228-I355 HydrophobicContact CG-CB 4.45Å; Y228-I355 HydrophobicContact CG-CG1 3.96Å; Y228-I355 HydrophobicContact CG-CG2 4.13Å
229	R	93.4	Very high	94.7	Very high	3 Å²	3	29 Å²	29	1%	0.011	14%	0.143	C	C	.	.			trans	-84.9	89.1	172.9	-60.6	176.2	-67.7	-178.3	2.8	109.3	D87 L88 A216 T227 G231 Y232 D233	D87-R229 WeakPolarHBondContact O-CD 3.48Å; D87-R229 PolarHBondContact O-NH1 3.49Å; L88-R229 HydrophobicContact CD2-CG 4.35Å; A216-R229 PolarHBondContact O-NH2 2.98Å; T227-R229 PolarHBondContact O-N 3.4Å; R229-G231 PolarHBondContact O-N 3.4Å; R229-Y232 HydrophobicContact CB-CD1 4.35Å; R229-Y232 WeakPolarHBondContact O-CA 3.48Å; R229-Y232 WeakPolarHBondContact O-CB 3.38Å; R229-Y232 PolarHBondContact O-N 2.71Å; R229-D233 HydrophobicContact CB-CB 4.42Å; R229-D233 WeakPolarHBondContact CB-OD2 3.16Å; R229-D233 IonicContact CZ-OD1 3.42Å; R229-D233 IonicContact CZ-OD2 2.94Å; R229-D233 IonicContact NE-OD1 3.66Å; R229-D233 PolarHBondContact NE-OD1 3.38Å; R229-D233 IonicContact NE-OD2 2.71Å; R229-D233 PolarHBondContact NE-OD2 3.24Å; R229-D233 IonicContact NH2-OD1 2.76Å; R229-D233 PolarHBondContact NH2-OD1 2.81Å; R229-D233 IonicContact NH2-OD2 3.72Å; R229-D233 PolarHBondContact NH2-OD2 2.94Å; R229-D233 PolarHBondContact O-N 3.25Å
230	Q	86.9	Confident	94.1	Very high	152 Å²	152	29.8 Å²	29.8	71%	0.71	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.5	129.7	-176.4	-171.7	179.4	9.6	0	0	112.5	Y228 Y232	Y228-Q230 HydrophobicContact CD1-CB 4.32Å; Y228-Q230 HydrophobicContact CE1-CB 4.11Å; Y228-Q230 HydrophobicContact CE1-CG 4.28Å; Y228-Q230 PolarHBondContact O-N 2.86Å; Y228-Q230 VanDerWaalsContact O-N 3.17Å; Q230-Y232 PolarHBondContact O-N 3.49Å
231	G	85.9	Confident	93.4	Very high	33 Å²	33	32 Å²	32	34%	0.34	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.4	0.5	-178	0	0	0	0	0	114.9	R229 R423	R229-G231 PolarHBondContact O-N 3.4Å; G231-R423 PolarHBondContact O-NH1 3.21Å
232	Y	93.9	Very high	92.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.2	-59	175.1	-167.4	-106	0	0	0	110.8	C90 R91 C95 F96 R215 L217 R229 Q230 R423	C90-Y232 HydrophobicContact CB-CD1 4.02Å; C90-Y232 HydrophobicContact CB-CE1 3.85Å; C90-Y232 HydrophobicContact CB-CE2 4.47Å; C90-Y232 HydrophobicContact CB-CG 4.42Å; R91-Y232 WeakPolarHBondContact O-CE2 3.48Å; C95-Y232 HydrophobicContact CB-CE2 3.81Å; C95-Y232 VanDerWaalsContact CB-OH 3.26Å; C95-Y232 WeakPolarHBondContact CB-OH 3.48Å; C95-Y232 PolarHBondContact O-OH 2.92Å; C95-Y232 VanDerWaalsContact O-OH 3.13Å; F96-Y232 HydrophobicContact CB-CE2 3.94Å; R215-Y232 WeakPolarHBondContact O-CE1 3.35Å; R215-Y232 PolarHBondContact O-OH 2.98Å; L217-Y232 WeakPolarHBondContact CD2-O 3.41Å; L217-Y232 HydrophobicContact CG-CE1 4.16Å; R229-Y232 HydrophobicContact CB-CD1 4.35Å; R229-Y232 WeakPolarHBondContact O-CA 3.48Å; R229-Y232 WeakPolarHBondContact O-CB 3.38Å; R229-Y232 PolarHBondContact O-N 2.71Å; Q230-Y232 PolarHBondContact O-N 3.49Å; Y232-R423 VanDerWaalsContact C-NH1 3.33Å; Y232-R423 PolarHBondContact O-NH1 3.19Å
233	D	97.6	Very high	92	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.182	C	C	.	.	S	Bend	trans	-80.4	163.4	174	-71.8	-27	0	0	0	111.7	L218 F223 Y228 R229 R423	L218-D233 PolarHBondContact N-OD1 3.36Å; L218-D233 VanDerWaalsContact O-CB 3.29Å; L218-D233 WeakPolarHBondContact O-CB 3.28Å; F223-D233 HydrophobicContact CE1-CB 4.48Å; F223-D233 HydrophobicContact CE2-CB 3.95Å; F223-D233 HydrophobicContact CZ-CB 3.66Å; Y228-D233 HydrophobicContact CD2-CB 4.07Å; Y228-D233 HydrophobicContact CE2-CB 3.9Å; Y228-D233 WeakPolarHBondContact CE2-O 3.42Å; Y228-D233 PolarHBondContact OH-O 2.82Å; R229-D233 HydrophobicContact CB-CB 4.42Å; R229-D233 WeakPolarHBondContact CB-OD2 3.16Å; R229-D233 IonicContact CZ-OD1 3.42Å; R229-D233 IonicContact CZ-OD2 2.94Å; R229-D233 IonicContact NE-OD1 3.66Å; R229-D233 PolarHBondContact NE-OD1 3.38Å; R229-D233 IonicContact NE-OD2 2.71Å; R229-D233 PolarHBondContact NE-OD2 3.24Å; R229-D233 IonicContact NH2-OD1 2.76Å; R229-D233 PolarHBondContact NH2-OD1 2.81Å; R229-D233 IonicContact NH2-OD2 3.72Å; R229-D233 PolarHBondContact NH2-OD2 2.94Å; R229-D233 PolarHBondContact O-N 3.25Å; D233-R423 PolarHBondContact O-NH2 3.47Å
234	V	98.3	Very high	91	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.006	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	120	177	-176.8	0	0	0	0	108.6	L218 A219 G220 I236 F358 T416 I419 I420	L218-V234 PolarHBondContact O-N 2.88Å; A219-V234 CarbonylContact C-O 3.23Å; A219-V234 VanDerWaalsContact CA-O 3.22Å; A219-V234 WeakPolarHBondContact CA-O 3.47Å; G220-V234 PolarHBondContact N-O 3.04Å; V234-I236 HydrophobicContact CG1-CG2 4.13Å; V234-F358 HydrophobicContact CG1-CD1 4.02Å; V234-F358 HydrophobicContact CG1-CE1 4.13Å; V234-T416 HydrophobicContact CB-CG2 4.11Å; V234-T416 HydrophobicContact CG1-CG2 4.08Å; V234-T416 HydrophobicContact CG2-CG2 4.17Å; V234-I419 HydrophobicContact CG1-CD1 4.09Å; V234-I419 HydrophobicContact CG1-CG2 4.45Å; V234-I419 HydrophobicContact CG2-CG2 4.17Å; V234-I420 HydrophobicContact CG2-CD1 4.24Å; V234-I420 HydrophobicContact CG2-CG1 3.96Å
235	S	98	Very high	90.2	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	128.6	171.1	-176.7	0	0	0	0	109.2	G220 I355 L356 F358	G220-S235 WeakPolarHBondContact O-CA 3.12Å; S235-I355 PolarHBondContact OG-O 3.3Å; S235-L356 PolarHBondContact OG-O 2.83Å; S235-F358 VanDerWaalsContact O-CD1 3.24Å; S235-F358 WeakPolarHBondContact O-CD1 3.39Å; S235-F358 PolarHBondContact O-N 3.11Å
236	I	98.4	Very high	89.9	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.2	C	C	.	.			trans	-123	158.9	-178.2	63.1	170.2	0	0	0	110.7	F195 M197 A219 G220 G221 V234 F358 I412 T416	F195-I236 HydrophobicContact CD1-CD1 4.11Å; M197-I236 HydrophobicContact CE-CD1 4.23Å; M197-I236 HydrophobicContact CG-CD1 3.99Å; A219-I236 HydrophobicContact CB-CD1 4.12Å; A219-I236 HydrophobicContact CB-CG2 3.86Å; A219-I236 VanDerWaalsContact O-CD1 3.27Å; A219-I236 WeakPolarHBondContact O-CD1 3.49Å; G220-I236 PolarHBondContact O-N 3.3Å; G221-I236 VanDerWaalsContact CA-O 3.25Å; G221-I236 WeakPolarHBondContact CA-O 3.34Å; V234-I236 HydrophobicContact CG1-CG2 4.13Å; I236-F358 HydrophobicContact CB-CE1 4.4Å; I236-F358 HydrophobicContact CB-CZ 4.46Å; I236-F358 HydrophobicContact CG2-CE1 3.78Å; I236-F358 HydrophobicContact CG2-CZ 4.21Å; I236-I412 HydrophobicContact CB-CG2 4.16Å; I236-I412 HydrophobicContact CG2-CG2 4.42Å; I236-T416 WeakPolarHBondContact CG2-OG1 3.39Å
237	P	97.1	Very high	89.6	Confident	2 Å²	2	36.8 Å²	36.8	1%	0.013	20%	0.203	C	C	.	.			trans	-78.3	155.6	176.9	31.3	-34.5	0	0	0	111.9	M197 Y239 P357 F358 F406 I412	M197-P237 WeakPolarHBondContact CE-O 3.35Å; P237-Y239 PolarHBondContact O-N 2.99Å; P237-P357 HydrophobicContact CB-CB 3.94Å; P237-P357 HydrophobicContact CB-CG 3.87Å; P237-P357 HydrophobicContact CG-CB 4.41Å; P237-F358 VanDerWaalsContact CD-CE2 3.47Å; P237-F358 HydrophobicContact CG-CE2 4.12Å; P237-F406 HydrophobicContact CB-CD1 3.29Å; P237-F406 HydrophobicContact CB-CE1 3.34Å; P237-F406 HydrophobicContact CB-CG 4.03Å; P237-F406 HydrophobicContact CB-CZ 4.06Å; P237-F406 HydrophobicContact CG-CB 4.4Å; P237-F406 HydrophobicContact CG-CD1 3.66Å; P237-F406 HydrophobicContact CG-CD2 4.33Å; P237-F406 HydrophobicContact CG-CE1 3.94Å; P237-F406 HydrophobicContact CG-CG 3.86Å; P237-F406 HydrophobicContact CG-CZ 4.34Å; P237-I412 HydrophobicContact CG-CD1 3.71Å; P237-I412 HydrophobicContact CG-CG1 3.65Å; P237-I412 HydrophobicContact CG-CG2 4.47Å
238	V	95.4	Very high	89.3	Confident	10 Å²	10	36.4 Å²	36.4	6%	0.061	20%	0.2	C	C	.	.			trans	-82.1	112.8	168.1	-177.4	0	0	0	0	108.5	M197 L198 A335	M197-V238 HydrophobicContact CB-CG1 4.46Å; M197-V238 WeakPolarHBondContact O-CG2 3.39Å; L198-V238 HydrophobicContact CD2-CG1 3.72Å; L198-V238 HydrophobicContact CD2-CG2 4.42Å; L198-V238 HydrophobicContact CG-CG1 4.45Å; V238-A335 HydrophobicContact CB-CB 4.43Å; V238-A335 HydrophobicContact CG1-CB 4.03Å; V238-A335 WeakPolarHBondContact O-CA 3.39Å
239	Y	93.4	Very high	89	Confident	45 Å²	45	39 Å²	39	18%	0.176	22%	0.221	C	C	.	.			trans	-74.7	132	179.1	-179.2	-107.5	0	0	0	111.3	E135 M197 P237 P241 A244 M409 I412	E135-Y239 HydrophobicContact CG-CD1 4.02Å; E135-Y239 HydrophobicContact CG-CE1 4.15Å; M197-Y239 PolarHBondContact SD-N 2.84Å; P237-Y239 PolarHBondContact O-N 2.99Å; Y239-P241 HydrophobicContact CE1-CB 4.09Å; Y239-P241 WeakPolarHBondContact O-CD 3.39Å; Y239-A244 HydrophobicContact CE2-CB 3.85Å; Y239-A244 WeakPolarHBondContact OH-CB 3.48Å; Y239-M409 HydrophobicContact CD1-CG 4.05Å; Y239-M409 HydrophobicContact CD1-SD 3.82Å; Y239-M409 HydrophobicContact CD2-SD 4.49Å; Y239-M409 HydrophobicContact CE1-CG 4.19Å; Y239-M409 HydrophobicContact CG-CG 4.34Å; Y239-M409 HydrophobicContact CG-SD 3.78Å; Y239-I412 HydrophobicContact CD2-CD1 4.24Å; Y239-I412 HydrophobicContact CG-CD1 4.49Å
240	S	85.4	Confident	88.6	Confident	15 Å²	15	47.6 Å²	47.6	11%	0.105	26%	0.261	C	S	.	.			trans	-102.2	104.2	172.1	179.9	0	0	0	0	109.9	L242 S243 A244	S240-L242 PolarHBondContact O-N 2.95Å; S240-S243 PolarHBondContact O-N 3.32Å; S240-S243 WeakPolarHBondContact OG-CB 3.3Å; S240-S243 PolarHBondContact OG-N 3.47Å; S240-S243 VanDerWaalsContact OG-N 3.15Å; S240-S243 PolarHBondContact OG-OG 2.92Å; S240-A244 VanDerWaalsContact O-CB 3.27Å; S240-A244 WeakPolarHBondContact O-CB 3.07Å; S240-A244 PolarHBondContact O-N 3.47Å
241	P	84.1	Confident	88.6	Confident	49 Å²	49	44.9 Å²	44.9	32%	0.318	24%	0.244	S	C	.	.	H	α-helix	trans	-64.4	-29.9	172.3	26.3	-33.6	0	0	0	111.5	E135 Y239 S243	E135-P241 WeakPolarHBondContact OE1-CB 3.4Å; E135-P241 WeakPolarHBondContact OE1-CG 3.12Å; Y239-P241 HydrophobicContact CE1-CB 4.09Å; Y239-P241 WeakPolarHBondContact O-CD 3.39Å; P241-S243 VanDerWaalsContact C-N 3.31Å; P241-S243 PolarHBondContact O-N 3.49Å
242	L	80.6	Confident	88.6	Confident	74 Å²	74	50.2 Å²	50.2	39%	0.387	26%	0.26	S	S	.	.	H	α-helix	trans	-66.9	-32.8	-179.2	-66.6	175	0	0	0	113	S240 A299 A302 R303	S240-L242 PolarHBondContact O-N 2.95Å; L242-A299 HydrophobicContact CD2-CB 4.39Å; L242-A302 HydrophobicContact CD1-CB 3.98Å; L242-R303 VanDerWaalsContact O-CZ 3.28Å; L242-R303 PolarHBondContact O-NE 2.98Å; L242-R303 PolarHBondContact O-NH2 3Å
243	S	80.7	Confident	88.3	Confident	4 Å²	4	52.2 Å²	52.2	3%	0.028	27%	0.273	C	S	.	.	H	α-helix	trans	-96.8	-26.9	-177.8	-53	0	0	0	0	112.1	S240 P241 D245 V246 D339 Q342	S240-S243 PolarHBondContact O-N 3.32Å; S240-S243 WeakPolarHBondContact OG-CB 3.3Å; S240-S243 PolarHBondContact OG-N 3.47Å; S240-S243 VanDerWaalsContact OG-N 3.15Å; S240-S243 PolarHBondContact OG-OG 2.92Å; P241-S243 VanDerWaalsContact C-N 3.31Å; P241-S243 PolarHBondContact O-N 3.49Å; S243-D245 VanDerWaalsContact C-N 3.29Å; S243-D245 PolarHBondContact O-N 3.31Å; S243-V246 WeakPolarHBondContact O-CB 3.35Å; S243-V246 PolarHBondContact O-N 3.5Å; S243-D339 VanDerWaalsContact CB-CG 3.46Å; S243-D339 WeakPolarHBondContact CB-OD1 3.41Å; S243-D339 WeakPolarHBondContact CB-OD2 3.48Å; S243-D339 PolarHBondContact OG-OD1 3.05Å; S243-D339 PolarHBondContact OG-OD2 2.83Å; S243-Q342 PolarHBondContact O-NE2 3.07Å
244	A	76.3	Confident	88	Confident	30 Å²	30	52.7 Å²	52.7	25%	0.248	28%	0.278	C	S	.	.	H	α-helix	trans	-61.2	-35.6	178.1	0	0	0	0	0	113.2	Y239 S240 V246	Y239-A244 HydrophobicContact CE2-CB 3.85Å; Y239-A244 WeakPolarHBondContact OH-CB 3.48Å; S240-A244 VanDerWaalsContact O-CB 3.27Å; S240-A244 WeakPolarHBondContact O-CB 3.07Å; S240-A244 PolarHBondContact O-N 3.47Å; A244-V246 PolarHBondContact O-N 2.99Å
245	D	78.7	Confident	87.6	Confident	113 Å²	113	58.1 Å²	58.1	60%	0.604	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-4.9	176.9	-67.7	-23.2	0	0	0	113.6	S243	S243-D245 VanDerWaalsContact C-N 3.29Å; S243-D245 PolarHBondContact O-N 3.31Å
246	V	84.3	Confident	87.4	Confident	15 Å²	15	59.7 Å²	59.7	9%	0.091	32%	0.319	C	S	.	.			trans	-92.1	111.2	-178.5	-176.3	0	0	0	0	109.9	S243 A244 L248 P315 Q342	S243-V246 WeakPolarHBondContact O-CB 3.35Å; S243-V246 PolarHBondContact O-N 3.5Å; A244-V246 PolarHBondContact O-N 2.99Å; V246-L248 HydrophobicContact CG1-CD2 4.01Å; V246-L248 PolarHBondContact O-N 2.96Å; V246-P315 HydrophobicContact CB-CG 4.43Å; V246-P315 HydrophobicContact CG1-CG 4.46Å; V246-Q342 PolarHBondContact O-NE2 3.39Å
247	L	84.4	Confident	87.2	Confident	166 Å²	166	68.3 Å²	68.3	87%	0.869	35%	0.352	S	S	*	.			trans	-75.6	107.4	170.5	-66.5	172.9	0	0	0	109.7
248	L	88	Confident	87.2	Confident	21 Å²	21	68.7 Å²	68.7	11%	0.11	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-80.9	135.5	172.4	-63.9	-173.7	0	0	0	110.4	V246 P315 Q316 Q319 Q342 A343	V246-L248 HydrophobicContact CG1-CD2 4.01Å; V246-L248 PolarHBondContact O-N 2.96Å; L248-P315 HydrophobicContact CD2-CG 4.29Å; L248-Q316 HydrophobicContact CD2-CB 4.26Å; L248-Q316 HydrophobicContact CD2-CG 3.75Å; L248-Q319 HydrophobicContact CD1-CG 4.22Å; L248-Q342 HydrophobicContact CD1-CB 4.44Å; L248-Q342 HydrophobicContact CD1-CG 3.83Å; L248-Q342 HydrophobicContact CG-CG 4.5Å; L248-A343 HydrophobicContact CD1-CB 4.09Å
249	P	87.9	Confident	87.2	Confident	87 Å²	87	70.5 Å²	70.5	57%	0.565	36%	0.36	S	S	*	.	P	Polyproline II helix	trans	-54.9	145.9	170.6	-24.6	32.9	0	0	0	112.1	R251 Q319	P249-R251 PolarHBondContact O-N 2.98Å; P249-Q319 PolarHBondContact O-NE2 3.46Å
250	E	84.6	Confident	87.5	Confident	182 Å²	182	68.4 Å²	68.4	85%	0.85	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-62.4	126.8	172.3	-73.9	-169.8	172.3	0	0	110.3
251	R	87.3	Confident	88	Confident	95 Å²	95	67.7 Å²	67.7	36%	0.358	35%	0.347	S	S	.	.			trans	-134.7	115.8	179	-159.1	177.3	179.6	132.1	-15.8	110.9	P249 R256 Q319 E320	P249-R251 PolarHBondContact O-N 2.98Å; R251-R256 VanDerWaalsContact NE-NH1 3.14Å; R251-Q319 WeakPolarHBondContact CD-O 3.34Å; R251-Q319 PolarHBondContact NE-O 3.09Å; R251-E320 IonicContact CZ-OE1 3.28Å; R251-E320 IonicContact CZ-OE2 3.15Å; R251-E320 IonicContact NH1-OE1 3.87Å; R251-E320 PolarHBondContact NH1-OE1 3.44Å; R251-E320 IonicContact NH1-OE2 3.83Å; R251-E320 PolarHBondContact NH1-OE2 2.9Å; R251-E320 IonicContact NH2-OE1 2.79Å; R251-E320 IonicContact NH2-OE2 2.7Å; R251-E320 PolarHBondContact NH2-OE2 2.91Å
252	H	86.3	Confident	88.6	Confident	146 Å²	146	65.4 Å²	65.4	68%	0.676	33%	0.332	S	S	*	.			trans	-64.2	152.2	179.2	-66.4	87.6	0	0	0	111.5	R256	H252-R256 PolarHBondContact O-NH1 3.21Å; H252-R256 PolarHBondContact O-NH2 3.28Å
253	P	88.7	Confident	89.3	Confident	42 Å²	42	62 Å²	62	27%	0.273	32%	0.315	S	S	.	.	S	Bend	trans	-58.4	146.3	170.1	-17.5	28.3	0	0	0	111.1	E392 Q395 R396	P253-E392 HydrophobicContact CB-CB 3.98Å; P253-E392 HydrophobicContact CB-CG 4.36Å; P253-E392 WeakPolarHBondContact CB-O 3.32Å; P253-Q395 VanDerWaalsContact CA-OE1 3.28Å; P253-Q395 HydrophobicContact CB-CB 4.22Å; P253-R396 HydrophobicContact CB-CG 4.02Å; P253-R396 HydrophobicContact CG-CB 4.39Å; P253-R396 HydrophobicContact CG-CG 3.14Å
254	G	89.8	Confident	89.8	Confident	10 Å²	10	62.3 Å²	62.3	10%	0.103	32%	0.315	C	S	.	.	S	Bend	trans	152.9	-173.4	-179.8	0	0	0	0	0	113	Q395	G254-Q395 PolarHBondContact O-NE2 2.98Å; G254-Q395 PolarHBondContact O-OE1 3.18Å
255	P	89.8	Confident	90.3	Very high	114 Å²	114	63.7 Å²	63.7	74%	0.74	32%	0.321	S	S	*	.			trans	-59.8	145.4	176.8	25.4	-33.6	0	0	0	111.3
256	R	94.2	Very high	90.6	Very high	33 Å²	33	63.2 Å²	63.2	13%	0.125	33%	0.333	C	S	.	.			trans	-122.8	163	-177.8	-55.8	-65.9	-160.3	-144	6.3	110.1	R251 H252 Q319 E320 S321 S322	R251-R256 VanDerWaalsContact NE-NH1 3.14Å; H252-R256 PolarHBondContact O-NH1 3.21Å; H252-R256 PolarHBondContact O-NH2 3.28Å; R256-Q319 WeakPolarHBondContact CD-O 3.45Å; R256-Q319 PolarHBondContact NE-O 3.23Å; R256-E320 WeakPolarHBondContact CB-O 3.01Å; R256-S321 WeakPolarHBondContact CG-O 3.49Å; R256-S322 WeakPolarHBondContact CB-OG 3.22Å
257	R	94.1	Very high	90.8	Very high	181 Å²	181	63.9 Å²	63.9	68%	0.683	34%	0.335	S	S	*	.	S	Bend	trans	-63.1	-44.9	-178.4	178.7	178	177.8	178.6	-0.4	111.7	E320	R257-E320 HydrophobicContact CB-CB 4.46Å; R257-E320 PolarHBondContact N-O 2.64Å; R257-E320 VanDerWaalsContact N-O 3.08Å
258	Y	96.4	Very high	91.2	Very high	10 Å²	10	61 Å²	61	4%	0.039	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	146.1	177.1	-57.4	-75.1	0	0	0	110	L287 I317 E320 S321 S322	Y258-L287 HydrophobicContact CD1-CB 3.85Å; Y258-L287 HydrophobicContact CD1-CD2 4.36Å; Y258-L287 HydrophobicContact CD2-CD2 3.97Å; Y258-L287 HydrophobicContact CE1-CB 4.14Å; Y258-L287 HydrophobicContact CE1-CD1 4.43Å; Y258-L287 HydrophobicContact CE1-CD2 4.1Å; Y258-L287 HydrophobicContact CE1-CG 4.45Å; Y258-L287 HydrophobicContact CE2-CD2 3.71Å; Y258-L287 HydrophobicContact CG-CB 4.08Å; Y258-L287 HydrophobicContact CG-CD2 4.29Å; Y258-I317 HydrophobicContact CE2-CD1 4.36Å; Y258-E320 HydrophobicContact CD2-CB 4Å; Y258-E320 HydrophobicContact CE2-CB 4.3Å; Y258-E320 PolarHBondContact N-O 3.39Å; Y258-S321 WeakPolarHBondContact O-CA 3.35Å; Y258-S322 PolarHBondContact O-N 3.02Å
259	F	97.2	Very high	91.4	Very high	48 Å²	48	70.4 Å²	70.4	21%	0.211	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	-49.5	175.6	-172.7	-121.6	0	0	0	110.2	A285 F323 Y380 L383 K384	F259-A285 HydrophobicContact CB-CB 4.09Å; F259-A285 WeakPolarHBondContact CB-O 3.46Å; F259-A285 PolarHBondContact N-O 3.32Å; F259-F323 HydrophobicContact CD2-CD2 4.21Å; F259-F323 HydrophobicContact CD2-CE2 4.32Å; F259-F323 HydrophobicContact CE1-CD2 4.47Å; F259-F323 AromaticContact CE2-CD2 3.85Å; F259-F323 HydrophobicContact CE2-CD2 3.85Å; F259-F323 AromaticContact CE2-CE2 3.56Å; F259-F323 HydrophobicContact CE2-CE2 3.56Å; F259-F323 AromaticContact CZ-CD2 3.98Å; F259-F323 HydrophobicContact CZ-CD2 3.98Å; F259-F323 AromaticContact CZ-CE2 3.69Å; F259-F323 HydrophobicContact CZ-CE2 3.69Å; F259-F323 WeakPolarHBondContact O-CB 3.44Å; F259-F323 WeakPolarHBondContact O-CD2 3.4Å; F259-F323 PolarHBondContact O-N 3.32Å; F259-Y380 AromaticContact CD1-CD2 3.94Å; F259-Y380 HydrophobicContact CD1-CD2 3.94Å; F259-Y380 AromaticContact CD1-CE2 3.61Å; F259-Y380 HydrophobicContact CD1-CE2 3.61Å; F259-Y380 HydrophobicContact CE1-CD2 4.13Å; F259-Y380 HydrophobicContact CE1-CE2 4.02Å; F259-L383 HydrophobicContact CE1-CB 3.98Å; F259-L383 HydrophobicContact CZ-CB 3.98Å; F259-K384 HydrophobicContact CZ-CB 4.45Å
260	I	98	Very high	91.7	Very high	1 Å²	1	73.1 Å²	73.1	1%	0.005	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	139.9	-179.9	-59.5	163.9	0	0	0	109.5	A285 L286 L287 F323 V325 M379 Y380 L383	I260-A285 PolarHBondContact N-O 3.18Å; I260-L286 HydrophobicContact CB-CD1 3.47Å; I260-L286 VanDerWaalsContact CB-CD1 3.47Å; I260-L286 HydrophobicContact CB-CG 4.16Å; I260-L286 HydrophobicContact CD1-CD1 3.55Å; I260-L286 HydrophobicContact CG1-CD1 4.06Å; I260-L286 HydrophobicContact CG2-CD1 3.72Å; I260-L286 HydrophobicContact CG2-CG 4.25Å; I260-L286 WeakPolarHBondContact O-CA 3.22Å; I260-L287 PolarHBondContact O-N 2.97Å; I260-F323 CarbonylContact C-O 3.58Å; I260-F323 WeakPolarHBondContact CA-O 3.49Å; I260-F323 HydrophobicContact CG1-CB 4.18Å; I260-V325 HydrophobicContact CG2-CG2 3.54Å; I260-M379 HydrophobicContact CD1-CE 4.4Å; I260-M379 HydrophobicContact CG2-CE 4.17Å; I260-Y380 HydrophobicContact CD1-CD2 3.89Å; I260-L383 HydrophobicContact CD1-CD1 3.61Å; I260-L383 HydrophobicContact CG1-CD1 3.8Å
261	L	97.6	Very high	92.1	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	133.3	177.8	-177.5	159.8	0	0	0	111.2	L287 L289 I317 L318 S321 F323 C324 V325	L261-L287 CarbonylContact C-O 3.5Å; L261-L287 VanDerWaalsContact CA-O 3.3Å; L261-L287 WeakPolarHBondContact CA-O 3.39Å; L261-L287 HydrophobicContact CD1-CD2 3.96Å; L261-L287 HydrophobicContact CG-CB 4.35Å; L261-L287 HydrophobicContact CG-CD2 4.43Å; L261-L289 HydrophobicContact CD1-CD1 4.35Å; L261-L289 HydrophobicContact CD2-CD1 4.35Å; L261-L289 HydrophobicContact CG-CD1 4.44Å; L261-I317 HydrophobicContact CD1-CG1 4.01Å; L261-L318 HydrophobicContact CD2-CD2 3.49Å; L261-L318 VanDerWaalsContact CD2-CD2 3.49Å; L261-S321 VanDerWaalsContact CB-CB 3.44Å; L261-S321 VanDerWaalsContact CB-OG 3.31Å; L261-S321 WeakPolarHBondContact CB-OG 3.22Å; L261-S321 PolarHBondContact N-OG 2.94Å; L261-F323 PolarHBondContact N-O 2.88Å; L261-C324 CarbonylContact O-C 3.54Å; L261-C324 WeakPolarHBondContact O-CA 3.38Å; L261-V325 PolarHBondContact O-N 3.15Å
262	S	96.6	Very high	92.4	Very high	2 Å²	2	64.2 Å²	64.2	1%	0.014	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	121.7	169.2	-177.6	0	0	0	0	110.2	L287 L289	S262-L287 PolarHBondContact N-O 3.49Å; S262-L289 WeakPolarHBondContact O-CB 3.25Å; S262-L289 PolarHBondContact O-N 3.45Å
263	S	94.3	Very high	92.9	Very high	2 Å²	2	59.7 Å²	59.7	1%	0.014	30%	0.304	C	S	.	.			trans	-120	-3.4	-176.3	62.6	0	0	0	0	115.2	R305	S263-R305 PolarHBondContact O-NE 2.81Å
264	Q	91.9	Very high	93.2	Very high	10 Å²	10	59 Å²	59	5%	0.047	30%	0.296	C	S	.	.			trans	-68.6	136.6	-179.3	-79.8	168.6	-86.1	0	0	110.5	I267 V325 V326 L327 A336	Q264-I267 HydrophobicContact CB-CD1 4.31Å; Q264-I267 HydrophobicContact CB-CG1 4.07Å; Q264-I267 WeakPolarHBondContact O-CD1 3.46Å; Q264-I267 WeakPolarHBondContact O-CG1 3.25Å; Q264-V325 PolarHBondContact OE1-O 3.18Å; Q264-V326 VanDerWaalsContact OE1-CA 3.29Å; Q264-L327 PolarHBondContact NE2-O 2.92Å; Q264-A336 HydrophobicContact CG-CB 3.99Å
265	T	85.8	Confident	93.5	Very high	60 Å²	60	58.5 Å²	58.5	37%	0.368	29%	0.291	S	S	.	.	S	Bend	trans	-93.2	152	175.3	59.7	0	0	0	0	109.3	K291	T265-K291 HydrophobicContact CG2-CB 4.03Å
266	A	84.9	Confident	93.8	Very high	102 Å²	102	56.1 Å²	56.1	84%	0.843	27%	0.27	S	S	*	.	S	Bend	trans	61	41.9	-179.3	0	0	0	0	0	114.9
267	I	89.5	Confident	93.9	Very high	29 Å²	29	60.8 Å²	60.8	15%	0.149	29%	0.288	C	S	.	.			trans	-64.3	139	171	-59.3	171.6	0	0	0	109.5	Q264 R272 L275 L327	Q264-I267 HydrophobicContact CB-CD1 4.31Å; Q264-I267 HydrophobicContact CB-CG1 4.07Å; Q264-I267 WeakPolarHBondContact O-CD1 3.46Å; Q264-I267 WeakPolarHBondContact O-CG1 3.25Å; I267-R272 HydrophobicContact CG2-CB 4.2Å; I267-L275 HydrophobicContact CD1-CD1 4.06Å; I267-L327 HydrophobicContact CD1-CD1 4.09Å; I267-L327 HydrophobicContact CG1-CD1 4.48Å; I267-L327 HydrophobicContact CG2-CD1 4.03Å
268	H	92.1	Very high	94	Very high	105 Å²	105	52.3 Å²	52.3	49%	0.486	26%	0.256	S	S	.	.			trans	-57.5	145.8	174.9	-173.3	-103.7	0	0	0	111.1	E270 Y271 R272	H268-E270 IonicContact CE1-OE2 3.63Å; H268-E270 PolarHBondContact O-N 3.15Å; H268-E270 VanDerWaalsContact O-N 3.12Å; H268-Y271 HydrophobicContact CB-CD2 3.78Å; H268-Y271 HydrophobicContact CB-CE2 4.12Å; H268-Y271 PolarHBondContact O-N 3.34Å; H268-R272 PolarHBondContact O-N 2.92Å
269	R	93.3	Very high	93.9	Very high	220 Å²	220	53.1 Å²	53.1	83%	0.83	26%	0.26	S	S	*	.	H	α-helix	trans	-55.2	-37.2	-171.1	-175.6	179.7	176.1	-171.8	-1.6	113.2	R272 A273	R269-R272 PolarHBondContact O-N 3.02Å; R269-A273 WeakPolarHBondContact O-CB 3.35Å; R269-A273 PolarHBondContact O-N 3.45Å
270	E	92.8	Very high	93.8	Very high	144 Å²	144	58.5 Å²	58.5	67%	0.673	29%	0.286	S	S	*	.	H	α-helix	trans	-69.1	-51.9	-178.5	-67.8	173.9	-178	0	0	112.5	H268 R272 A273 E274	H268-E270 IonicContact CE1-OE2 3.63Å; H268-E270 PolarHBondContact O-N 3.15Å; H268-E270 VanDerWaalsContact O-N 3.12Å; E270-R272 PolarHBondContact O-N 2.87Å; E270-A273 PolarHBondContact O-N 2.9Å; E270-E274 PolarHBondContact O-N 2.91Å
271	Y	94.1	Very high	93.7	Very high	39 Å²	39	65.3 Å²	65.3	15%	0.153	32%	0.318	C	S	.	.	H	α-helix	trans	-61.3	-34.9	174.4	-55.4	-67.1	0	0	0	111.4	H268 E274 L275 L327 E373 L376	H268-Y271 HydrophobicContact CB-CD2 3.78Å; H268-Y271 HydrophobicContact CB-CE2 4.12Å; H268-Y271 PolarHBondContact O-N 3.34Å; Y271-E274 PolarHBondContact O-N 2.85Å; Y271-L275 WeakPolarHBondContact O-CB 3.31Å; Y271-L275 WeakPolarHBondContact O-CG 3.25Å; Y271-L275 PolarHBondContact O-N 2.81Å; Y271-L327 HydrophobicContact CD1-CD2 4.02Å; Y271-L327 HydrophobicContact CG-CD2 4.09Å; Y271-E373 HydrophobicContact CE1-CB 4.34Å; Y271-E373 HydrophobicContact CE1-CG 4.41Å; Y271-E373 PolarHBondContact OH-OE2 3.47Å; Y271-L376 HydrophobicContact CD1-CD2 3.88Å
272	R	94.2	Very high	93.5	Very high	50 Å²	50	67.2 Å²	67.2	19%	0.189	33%	0.328	C	S	.	.	H	α-helix	trans	-64.6	-46.6	176.5	-179.2	52.8	-179.3	-118.3	0.7	111.5	I267 H268 R269 E270 E274 L275 E276 D290	I267-R272 HydrophobicContact CG2-CB 4.2Å; H268-R272 PolarHBondContact O-N 2.92Å; R269-R272 PolarHBondContact O-N 3.02Å; E270-R272 PolarHBondContact O-N 2.87Å; R272-E274 PolarHBondContact O-N 2.86Å; R272-L275 PolarHBondContact O-N 3.22Å; R272-E276 IonicContact CZ-OE1 2.57Å; R272-E276 IonicContact NE-OE1 3.51Å; R272-E276 PolarHBondContact NE-OE1 2.91Å; R272-E276 IonicContact NH2-OE1 3.55Å; R272-E276 PolarHBondContact NH2-OE1 3.18Å; R272-E276 WeakPolarHBondContact O-CG 3.14Å; R272-E276 PolarHBondContact O-N 3.18Å; R272-D290 IonicContact CZ-OD1 2.67Å; R272-D290 IonicContact CZ-OD2 2.67Å; R272-D290 VanDerWaalsContact CZ-OD2 3.22Å; R272-D290 IonicContact NH1-OD1 3.22Å; R272-D290 PolarHBondContact NH1-OD1 3.1Å; R272-D290 IonicContact NH1-OD2 3.89Å; R272-D290 PolarHBondContact NH1-OD2 3.38Å; R272-D290 IonicContact NH2-OD1 3.15Å; R272-D290 IonicContact NH2-OD2 2.84Å; R272-D290 PolarHBondContact NH2-OD2 3.03Å
273	A	95.6	Very high	93.3	Very high	52 Å²	52	68.7 Å²	68.7	43%	0.43	34%	0.343	S	S	.	.	H	α-helix	trans	-57.5	-41.7	176.8	0	0	0	0	0	111.4	R269 E270 E276 R277	R269-A273 WeakPolarHBondContact O-CB 3.35Å; R269-A273 PolarHBondContact O-N 3.45Å; E270-A273 PolarHBondContact O-N 2.9Å; A273-E276 PolarHBondContact O-N 3.16Å; A273-R277 WeakPolarHBondContact O-CG 3.46Å; A273-R277 PolarHBondContact O-N 2.88Å; A273-R277 VanDerWaalsContact O-N 3.12Å
274	E	96	Very high	93.2	Very high	26 Å²	26	75.5 Å²	75.5	12%	0.121	38%	0.375	C	S	.	.	H	α-helix	trans	-67.7	-43.6	178.3	-179.6	64.6	116.4	0	0	113.3	E270 Y271 R272 E276 R277 L278 L376 S377	E270-E274 PolarHBondContact O-N 2.91Å; Y271-E274 PolarHBondContact O-N 2.85Å; R272-E274 PolarHBondContact O-N 2.86Å; E274-E276 VanDerWaalsContact C-N 3.25Å; E274-E276 PolarHBondContact O-N 2.83Å; E274-R277 PolarHBondContact O-N 2.99Å; E274-R277 IonicContact OE1-CZ 3.01Å; E274-R277 IonicContact OE1-NH2 2.68Å; E274-R277 PolarHBondContact OE1-NH2 2.7Å; E274-R277 IonicContact OE2-CZ 3.31Å; E274-R277 IonicContact OE2-NE 2.69Å; E274-R277 PolarHBondContact OE2-NE 2.79Å; E274-R277 IonicContact OE2-NH2 3.95Å; E274-R277 PolarHBondContact OE2-NH2 3.12Å; E274-L278 PolarHBondContact O-N 3.45Å; E274-L376 HydrophobicContact CB-CD2 3.85Å; E274-L376 HydrophobicContact CB-CG 4.36Å; E274-L376 HydrophobicContact CG-CB 4.14Å; E274-L376 HydrophobicContact CG-CD2 3.6Å; E274-L376 HydrophobicContact CG-CG 3.56Å; E274-S377 WeakPolarHBondContact OE1-CA 3Å; E274-S377 WeakPolarHBondContact OE1-CB 3.26Å; E274-S377 PolarHBondContact OE1-N 3.49Å
275	L	95.6	Very high	93.3	Very high	0 Å²	0	76.2 Å²	76.2	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-58.8	-38.3	174.9	-77.4	178.3	0	0	0	112.3	I267 Y271 R272 L278 K279 L288 L327 L376 M379	I267-L275 HydrophobicContact CD1-CD1 4.06Å; Y271-L275 WeakPolarHBondContact O-CB 3.31Å; Y271-L275 WeakPolarHBondContact O-CG 3.25Å; Y271-L275 PolarHBondContact O-N 2.81Å; R272-L275 PolarHBondContact O-N 3.22Å; L275-L278 PolarHBondContact O-N 2.99Å; L275-K279 WeakPolarHBondContact O-CB 3.48Å; L275-K279 PolarHBondContact O-N 3.37Å; L275-L288 HydrophobicContact CB-CD1 3.99Å; L275-L288 HydrophobicContact CB-CD2 3.92Å; L275-L288 HydrophobicContact CD1-CD2 4.14Å; L275-L288 HydrophobicContact CD2-CD2 4.31Å; L275-L288 HydrophobicContact CG-CD2 4.37Å; L275-L288 WeakPolarHBondContact O-CD1 3.35Å; L275-L327 HydrophobicContact CD1-CD1 3.59Å; L275-L327 HydrophobicContact CG-CD1 4.43Å; L275-L376 HydrophobicContact CD2-CD1 4.35Å; L275-M379 HydrophobicContact CD2-CE 3.96Å
276	E	95.4	Very high	93.7	Very high	64 Å²	64	73.4 Å²	73.4	30%	0.299	37%	0.365	S	S	.	.	H	α-helix	trans	-66	-42.2	175.8	-66.6	-70.1	-177.7	0	0	111.7	R272 A273 E274 L278 K279 E280 L288	R272-E276 IonicContact CZ-OE1 2.57Å; R272-E276 IonicContact NE-OE1 3.51Å; R272-E276 PolarHBondContact NE-OE1 2.91Å; R272-E276 IonicContact NH2-OE1 3.55Å; R272-E276 PolarHBondContact NH2-OE1 3.18Å; R272-E276 WeakPolarHBondContact O-CG 3.14Å; R272-E276 PolarHBondContact O-N 3.18Å; A273-E276 PolarHBondContact O-N 3.16Å; E274-E276 VanDerWaalsContact C-N 3.25Å; E274-E276 PolarHBondContact O-N 2.83Å; E276-L278 VanDerWaalsContact C-N 3.35Å; E276-L278 PolarHBondContact O-N 3.28Å; E276-K279 WeakPolarHBondContact O-CB 2.95Å; E276-K279 PolarHBondContact O-N 3.39Å; E276-K279 VanDerWaalsContact O-N 3.08Å; E276-E280 WeakPolarHBondContact O-CG 3.21Å; E276-E280 PolarHBondContact O-N 2.7Å; E276-L288 HydrophobicContact CG-CD1 4.19Å; E276-L288 WeakPolarHBondContact OE2-CD1 3.43Å
277	R	96.3	Very high	94.3	Very high	132 Å²	132	68.7 Å²	68.7	50%	0.498	33%	0.326	S	S	.	.	H	α-helix	trans	-57.7	-47.4	173.3	-68.6	-167.7	-55.6	-145.2	13.2	111.7	A273 E274 K279 E280 E281	A273-R277 WeakPolarHBondContact O-CG 3.46Å; A273-R277 PolarHBondContact O-N 2.88Å; A273-R277 VanDerWaalsContact O-N 3.12Å; E274-R277 PolarHBondContact O-N 2.99Å; E274-R277 IonicContact OE1-CZ 3.01Å; E274-R277 IonicContact OE1-NH2 2.68Å; E274-R277 PolarHBondContact OE1-NH2 2.7Å; E274-R277 IonicContact OE2-CZ 3.31Å; E274-R277 IonicContact OE2-NE 2.69Å; E274-R277 PolarHBondContact OE2-NE 2.79Å; E274-R277 IonicContact OE2-NH2 3.95Å; E274-R277 PolarHBondContact OE2-NH2 3.12Å; R277-K279 PolarHBondContact O-N 3.14Å; R277-E280 PolarHBondContact O-N 3.48Å; R277-E280 VanDerWaalsContact O-N 3.13Å; R277-E281 WeakPolarHBondContact O-CG 3.16Å; R277-E281 PolarHBondContact O-N 3.48Å
278	L	95.9	Very high	94.6	Very high	2 Å²	2	67.6 Å²	67.6	1%	0.01	32%	0.32	C	S	.	.	H	α-helix	trans	-59.5	-36	175.5	-73.4	172.5	0	0	0	112.5	E274 L275 E276 N282 L286 L376 S377 M379	E274-L278 PolarHBondContact O-N 3.45Å; L275-L278 PolarHBondContact O-N 2.99Å; E276-L278 VanDerWaalsContact C-N 3.35Å; E276-L278 PolarHBondContact O-N 3.28Å; L278-N282 WeakPolarHBondContact O-CB 3.35Å; L278-N282 PolarHBondContact O-N 2.99Å; L278-N282 PolarHBondContact O-ND2 3.49Å; L278-L286 HydrophobicContact CB-CD2 4.06Å; L278-L376 HydrophobicContact CD1-CD1 4.46Å; L278-L376 WeakPolarHBondContact CD1-O 3.27Å; L278-S377 WeakPolarHBondContact CD2-O 3.37Å; L278-M379 HydrophobicContact CD1-CE 3.66Å
279	K	95.2	Very high	94.7	Very high	27 Å²	27	62.7 Å²	62.7	12%	0.117	30%	0.297	C	S	.	.	H	α-helix	trans	-70.1	-39.2	176.1	-180	165.7	177.4	114.7	0	111.8	L275 E276 R277 E281 G283 L286 L288	L275-K279 WeakPolarHBondContact O-CB 3.48Å; L275-K279 PolarHBondContact O-N 3.37Å; E276-K279 WeakPolarHBondContact O-CB 2.95Å; E276-K279 PolarHBondContact O-N 3.39Å; E276-K279 VanDerWaalsContact O-N 3.08Å; R277-K279 PolarHBondContact O-N 3.14Å; K279-E281 VanDerWaalsContact C-N 3.34Å; K279-G283 WeakPolarHBondContact O-CA 3.49Å; K279-G283 PolarHBondContact O-N 2.97Å; K279-L286 HydrophobicContact CB-CB 4.26Å; K279-L286 HydrophobicContact CB-CD2 3.89Å; K279-L286 HydrophobicContact CG-CB 4.39Å; K279-L286 PolarHBondContact NZ-O 2.98Å; K279-L288 HydrophobicContact CB-CD1 3.97Å; K279-L288 HydrophobicContact CB-CG 4.43Å; K279-L288 HydrophobicContact CD-CB 4.34Å; K279-L288 HydrophobicContact CD-CD1 3.87Å; K279-L288 HydrophobicContact CD-CG 3.87Å
280	E	95.5	Very high	94.5	Very high	161 Å²	161	54.9 Å²	54.9	75%	0.752	27%	0.272	S	S	*	.	H	α-helix	trans	-62.8	-40.8	175.2	-71.8	174.7	177.7	0	0	111.6	E276 R277	E276-E280 WeakPolarHBondContact O-CG 3.21Å; E276-E280 PolarHBondContact O-N 2.7Å; R277-E280 PolarHBondContact O-N 3.48Å; R277-E280 VanDerWaalsContact O-N 3.13Å
281	E	95.3	Very high	94.3	Very high	145 Å²	145	53.7 Å²	53.7	68%	0.678	27%	0.265	S	S	*	.	H	α-helix	trans	-72.8	-36.1	179.4	-70	174.7	-178.4	0	0	113.6	R277 K279	R277-E281 WeakPolarHBondContact O-CG 3.16Å; R277-E281 PolarHBondContact O-N 3.48Å; K279-E281 VanDerWaalsContact C-N 3.34Å
282	N	93.6	Very high	94.1	Very high	39 Å²	39	52 Å²	52	21%	0.209	26%	0.259	C	S	.	.	H	α-helix	trans	-111.1	0.5	-170	-60.1	-76	0	0	0	114.2	L278 A285 Y380	L278-N282 WeakPolarHBondContact O-CB 3.35Å; L278-N282 PolarHBondContact O-N 2.99Å; L278-N282 PolarHBondContact O-ND2 3.49Å; N282-A285 WeakPolarHBondContact O-CB 3.22Å; N282-A285 PolarHBondContact O-N 3.34Å; N282-Y380 HydrophobicContact CB-CD2 3.94Å; N282-Y380 HydrophobicContact CB-CE2 3.81Å; N282-Y380 HydrophobicContact CB-CG 4.41Å; N282-Y380 WeakPolarHBondContact OD1-CD1 3.48Å; N282-Y380 WeakPolarHBondContact OD1-CE1 3.33Å; N282-Y380 VanDerWaalsContact OD1-CZ 3.32Å
283	G	92.8	Very high	93.4	Very high	33 Å²	33	55.2 Å²	55.2	34%	0.34	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	58.5	-133.7	172.9	0	0	0	0	0	114.2	K279 A285 L286	K279-G283 WeakPolarHBondContact O-CA 3.49Å; K279-G283 PolarHBondContact O-N 2.97Å; G283-A285 PolarHBondContact O-N 2.94Å; G283-A285 VanDerWaalsContact O-N 3.14Å; G283-L286 PolarHBondContact O-N 3.3Å
284	E	90.8	Very high	92.5	Very high	146 Å²	146	60.4 Å²	60.4	68%	0.682	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-69.3	-7.6	-174.6	-64.5	-60.2	140.8	0	0	114.3	L286	E284-L286 PolarHBondContact O-N 2.93Å
285	A	93.7	Very high	91.6	Very high	25 Å²	25	62.6 Å²	62.6	21%	0.207	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-66.2	-25.7	173.6	0	0	0	0	0	112.4	F259 I260 N282 G283 Y380	F259-A285 HydrophobicContact CB-CB 4.09Å; F259-A285 WeakPolarHBondContact CB-O 3.46Å; F259-A285 PolarHBondContact N-O 3.32Å; I260-A285 PolarHBondContact N-O 3.18Å; N282-A285 WeakPolarHBondContact O-CB 3.22Å; N282-A285 PolarHBondContact O-N 3.34Å; G283-A285 PolarHBondContact O-N 2.94Å; G283-A285 VanDerWaalsContact O-N 3.14Å; A285-Y380 HydrophobicContact CB-CE2 4.08Å
286	L	95.9	Very high	90.3	Very high	1 Å²	1	67.8 Å²	67.8	1%	0.005	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	120.2	-178.2	-140	95	0	0	0	111.6	I260 L278 K279 G283 E284 L288	I260-L286 HydrophobicContact CB-CD1 3.47Å; I260-L286 VanDerWaalsContact CB-CD1 3.47Å; I260-L286 HydrophobicContact CB-CG 4.16Å; I260-L286 HydrophobicContact CD1-CD1 3.55Å; I260-L286 HydrophobicContact CG1-CD1 4.06Å; I260-L286 HydrophobicContact CG2-CD1 3.72Å; I260-L286 HydrophobicContact CG2-CG 4.25Å; I260-L286 WeakPolarHBondContact O-CA 3.22Å; L278-L286 HydrophobicContact CB-CD2 4.06Å; K279-L286 HydrophobicContact CB-CB 4.26Å; K279-L286 HydrophobicContact CB-CD2 3.89Å; K279-L286 HydrophobicContact CG-CB 4.39Å; K279-L286 PolarHBondContact NZ-O 2.98Å; G283-L286 PolarHBondContact O-N 3.3Å; E284-L286 PolarHBondContact O-N 2.93Å; L286-L288 HydrophobicContact CD2-CD2 3.84Å; L286-L288 HydrophobicContact CD2-CG 4.24Å
287	L	96.2	Very high	89	Confident	3 Å²	3	73.2 Å²	73.2	2%	0.016	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	115.1	173.1	-175	61.6	0	0	0	111	Y258 I260 L261 S262 L289 C307 Y312 I317	Y258-L287 HydrophobicContact CD1-CB 3.85Å; Y258-L287 HydrophobicContact CD1-CD2 4.36Å; Y258-L287 HydrophobicContact CD2-CD2 3.97Å; Y258-L287 HydrophobicContact CE1-CB 4.14Å; Y258-L287 HydrophobicContact CE1-CD1 4.43Å; Y258-L287 HydrophobicContact CE1-CD2 4.1Å; Y258-L287 HydrophobicContact CE1-CG 4.45Å; Y258-L287 HydrophobicContact CE2-CD2 3.71Å; Y258-L287 HydrophobicContact CG-CB 4.08Å; Y258-L287 HydrophobicContact CG-CD2 4.29Å; I260-L287 PolarHBondContact O-N 2.97Å; L261-L287 CarbonylContact C-O 3.5Å; L261-L287 VanDerWaalsContact CA-O 3.3Å; L261-L287 WeakPolarHBondContact CA-O 3.39Å; L261-L287 HydrophobicContact CD1-CD2 3.96Å; L261-L287 HydrophobicContact CG-CB 4.35Å; L261-L287 HydrophobicContact CG-CD2 4.43Å; S262-L287 PolarHBondContact N-O 3.49Å; L287-L289 HydrophobicContact CD1-CD2 3.89Å; L287-L289 HydrophobicContact CD2-CD1 4.25Å; L287-L289 HydrophobicContact CD2-CD2 3.92Å; L287-L289 HydrophobicContact CD2-CG 4.16Å; L287-L289 HydrophobicContact CG-CD2 3.76Å; L287-L289 HydrophobicContact CG-CG 3.95Å; L287-C307 HydrophobicContact CD1-CB 4.45Å; L287-Y312 HydrophobicContact CD2-CE1 4.43Å; L287-I317 HydrophobicContact CD2-CD1 4.45Å; L287-I317 HydrophobicContact CD2-CG1 4.27Å
288	L	95.4	Very high	87.6	Confident	6 Å²	6	69 Å²	69	3%	0.031	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	124.1	173.7	-57.4	-179	0	0	0	109	L275 E276 K279 L286 C307	L275-L288 HydrophobicContact CB-CD1 3.99Å; L275-L288 HydrophobicContact CB-CD2 3.92Å; L275-L288 HydrophobicContact CD1-CD2 4.14Å; L275-L288 HydrophobicContact CD2-CD2 4.31Å; L275-L288 HydrophobicContact CG-CD2 4.37Å; L275-L288 WeakPolarHBondContact O-CD1 3.35Å; E276-L288 HydrophobicContact CG-CD1 4.19Å; E276-L288 WeakPolarHBondContact OE2-CD1 3.43Å; K279-L288 HydrophobicContact CB-CD1 3.97Å; K279-L288 HydrophobicContact CB-CG 4.43Å; K279-L288 HydrophobicContact CD-CB 4.34Å; K279-L288 HydrophobicContact CD-CD1 3.87Å; K279-L288 HydrophobicContact CD-CG 3.87Å; L286-L288 HydrophobicContact CD2-CD2 3.84Å; L286-L288 HydrophobicContact CD2-CG 4.24Å; L288-C307 WeakPolarHBondContact O-CB 3.07Å
289	L	94.2	Very high	86.2	Confident	1 Å²	1	71.9 Å²	71.9	1%	0.005	41%	0.405	C	S	.	.			trans	-120.5	137.3	-176.5	-60.5	-179.7	0	0	0	111.1	L261 S262 L287 R305 C307 Y312 I317	L261-L289 HydrophobicContact CD1-CD1 4.35Å; L261-L289 HydrophobicContact CD2-CD1 4.35Å; L261-L289 HydrophobicContact CG-CD1 4.44Å; S262-L289 WeakPolarHBondContact O-CB 3.25Å; S262-L289 PolarHBondContact O-N 3.45Å; L287-L289 HydrophobicContact CD1-CD2 3.89Å; L287-L289 HydrophobicContact CD2-CD1 4.25Å; L287-L289 HydrophobicContact CD2-CD2 3.92Å; L287-L289 HydrophobicContact CD2-CG 4.16Å; L287-L289 HydrophobicContact CG-CD2 3.76Å; L287-L289 HydrophobicContact CG-CG 3.95Å; L289-R305 HydrophobicContact CB-CB 3.86Å; L289-R305 HydrophobicContact CB-CG 4.43Å; L289-R305 HydrophobicContact CD1-CB 4.03Å; L289-R305 HydrophobicContact CG-CB 4.44Å; L289-C307 HydrophobicContact CD2-CB 3.8Å; L289-Y312 HydrophobicContact CD2-CD2 3.6Å; L289-Y312 HydrophobicContact CD2-CE2 3.86Å; L289-Y312 HydrophobicContact CD2-CG 4.15Å; L289-I317 HydrophobicContact CD1-CG1 4.11Å; L289-I317 HydrophobicContact CD1-CG2 3.81Å
290	D	90.2	Very high	85	Confident	56 Å²	56	74.1 Å²	74.1	30%	0.299	43%	0.429	S	S	.	.	B	Isolated β-bridge	trans	-116.6	174.8	-179.2	-78.7	-54.2	0	0	0	113.6	R272 R305 C306	R272-D290 IonicContact CZ-OD1 2.67Å; R272-D290 IonicContact CZ-OD2 2.67Å; R272-D290 VanDerWaalsContact CZ-OD2 3.22Å; R272-D290 IonicContact NH1-OD1 3.22Å; R272-D290 PolarHBondContact NH1-OD1 3.1Å; R272-D290 IonicContact NH1-OD2 3.89Å; R272-D290 PolarHBondContact NH1-OD2 3.38Å; R272-D290 IonicContact NH2-OD1 3.15Å; R272-D290 IonicContact NH2-OD2 2.84Å; R272-D290 PolarHBondContact NH2-OD2 3.03Å; D290-R305 CarbonylContact O-C 3.58Å; D290-R305 VanDerWaalsContact O-CA 3.28Å; D290-R305 WeakPolarHBondContact O-CA 3.39Å; D290-C306 PolarHBondContact N-O 3.35Å; D290-C306 PolarHBondContact O-N 3.09Å
291	K	89.3	Confident	84.2	Confident	119 Å²	119	67 Å²	67	52%	0.517	40%	0.397	S	S	.	.			trans	-65	134.5	164.3	-173.6	178.2	178.8	-178.6	0	109.6	T265 S293	T265-K291 HydrophobicContact CG2-CB 4.03Å; K291-S293 PolarHBondContact O-N 3.17Å
292	C	88	Confident	83.4	Confident	5 Å²	5	62.1 Å²	62.1	3%	0.034	38%	0.381	C	S	.	.			trans	-72	124.8	176	-61.7	0	0	0	0	111.7	L295 C306	C292-L295 HydrophobicContact CB-CB 4.42Å; C292-L295 HydrophobicContact CB-CD1 3.62Å; C292-L295 HydrophobicContact CB-CG 3.92Å; C292-C306 VanDerWaalsContact CA-SG 3.56Å; C292-C306 HydrophobicContact CB-CB 3.96Å; C292-C306 WeakPolarHBondContact CB-SG 3.36Å; C292-C306 WeakPolarHBondContact SG-CB 3.41Å; C292-C306 CovalentContact SG-SG 2.03Å; C292-C306 PolarHBondContact SG-SG 2.84Å
293	S	81.2	Confident	83.1	Confident	116 Å²	116	64.2 Å²	64.2	81%	0.811	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-30.1	-178.6	-42.8	0	0	0	0	114	K291	K291-S293 PolarHBondContact O-N 3.17Å
294	N	76.5	Confident	83	Confident	162 Å²	162	65.9 Å²	65.9	87%	0.866	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	11.5	-169.2	-63.8	-4.8	0	0	0	114.1
295	L	76.1	Confident	83.1	Confident	72 Å²	72	60.1 Å²	60.1	38%	0.377	36%	0.356	S	S	.	.	S	Bend	trans	-105.2	134.6	179.2	-65.6	177.6	0	0	0	110.6	C292 K304	C292-L295 HydrophobicContact CB-CB 4.42Å; C292-L295 HydrophobicContact CB-CD1 3.62Å; C292-L295 HydrophobicContact CB-CG 3.92Å; L295-K304 HydrophobicContact CD1-CB 3.66Å; L295-K304 HydrophobicContact CD1-CG 3.83Å
296	S	69.7	Low	83.1	Confident	109 Å²	109	59.8 Å²	59.8	76%	0.762	35%	0.352	S	S	*	.			trans	-57.5	141.7	172.3	49.9	0	0	0	0	110.9	G298 S301	S296-G298 PolarHBondContact O-N 2.67Å; S296-S301 WeakPolarHBondContact O-CB 3.16Å
297	Q	66.6	Low	82.8	Confident	177 Å²	177	60.8 Å²	60.8	83%	0.827	36%	0.359	S	S	*	.	S	Bend	trans	-68.3	116.6	-178.4	-65.1	-172.9	13.5	0	0	109.9
298	G	68.1	Low	82.3	Confident	45 Å²	45	70 Å²	70	46%	0.464	40%	0.399	S	S	.	.	S	Bend	trans	-177.4	174.1	180	0	0	0	0	0	112.2	S296 A300 S301 A302	S296-G298 PolarHBondContact O-N 2.67Å; G298-A300 PolarHBondContact O-N 3.11Å; G298-S301 WeakPolarHBondContact O-CA 3.33Å; G298-S301 WeakPolarHBondContact O-CB 3.33Å; G298-S301 PolarHBondContact O-N 3.26Å; G298-A302 PolarHBondContact O-N 3.1Å
299	A	65.9	Low	81.6	Confident	62 Å²	62	73.1 Å²	73.1	51%	0.512	43%	0.432	S	S	.	.	H	α-helix	trans	-56.8	-34.4	-177.5	0	0	0	0	0	113.2	L242 S301 A302 R303	L242-A299 HydrophobicContact CD2-CB 4.39Å; A299-S301 VanDerWaalsContact C-N 3.34Å; A299-S301 PolarHBondContact O-N 3.08Å; A299-A302 PolarHBondContact O-N 3.15Å; A299-R303 PolarHBondContact O-N 3.33Å
300	A	70.8	Confident	81.4	Confident	74 Å²	74	78.2 Å²	78.2	61%	0.612	46%	0.456	S	S	*	.	H	α-helix	trans	-64.5	-36.5	174.3	0	0	0	0	0	112.6	G298 R303 K304	G298-A300 PolarHBondContact O-N 3.11Å; A300-R303 PolarHBondContact O-N 3Å; A300-K304 WeakPolarHBondContact O-CG 3.48Å
301	S	77.1	Confident	81.6	Confident	12 Å²	12	79.2 Å²	79.2	8%	0.084	46%	0.464	C	S	.	.	H	α-helix	trans	-72	-32.2	177.7	-178.4	0	0	0	0	112.2	S296 G298 A299 R303 K304	S296-S301 WeakPolarHBondContact O-CB 3.16Å; G298-S301 WeakPolarHBondContact O-CA 3.33Å; G298-S301 WeakPolarHBondContact O-CB 3.33Å; G298-S301 PolarHBondContact O-N 3.26Å; A299-S301 VanDerWaalsContact C-N 3.34Å; A299-S301 PolarHBondContact O-N 3.08Å; S301-R303 PolarHBondContact O-N 3.18Å; S301-K304 PolarHBondContact O-N 3.02Å; S301-K304 VanDerWaalsContact O-N 3.1Å
302	A	80.1	Confident	81.8	Confident	42 Å²	42	74.7 Å²	74.7	35%	0.347	44%	0.444	S	S	.	.	H	α-helix	trans	-63.7	-25.7	174.5	0	0	0	0	0	113.2	L242 G298 A299 R305	L242-A302 HydrophobicContact CD1-CB 3.98Å; G298-A302 PolarHBondContact O-N 3.1Å; A299-A302 PolarHBondContact O-N 3.15Å; A302-R305 PolarHBondContact O-NH1 3.47Å
303	R	87.6	Confident	82	Confident	83 Å²	83	78.1 Å²	78.1	31%	0.313	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	9.6	176	-65.9	-179.4	177.4	162.3	0.7	114	L242 A299 A300 S301 Y314	L242-R303 VanDerWaalsContact O-CZ 3.28Å; L242-R303 PolarHBondContact O-NE 2.98Å; L242-R303 PolarHBondContact O-NH2 3Å; A299-R303 PolarHBondContact O-N 3.33Å; A300-R303 PolarHBondContact O-N 3Å; S301-R303 PolarHBondContact O-N 3.18Å; R303-Y314 PolarHBondContact O-N 3.19Å
304	K	90.7	Very high	82.5	Confident	67 Å²	67	73.2 Å²	73.2	29%	0.291	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	145.9	177.3	-59.5	-66.8	-177.4	171.9	0	110.4	L295 A300 S301 V311 Y312 D313	L295-K304 HydrophobicContact CD1-CB 3.66Å; L295-K304 HydrophobicContact CD1-CG 3.83Å; A300-K304 WeakPolarHBondContact O-CG 3.48Å; S301-K304 PolarHBondContact O-N 3.02Å; S301-K304 VanDerWaalsContact O-N 3.1Å; K304-V311 HydrophobicContact CB-CG1 4.14Å; K304-V311 HydrophobicContact CD-CG1 3.85Å; K304-V311 HydrophobicContact CG-CG1 4.29Å; K304-Y312 WeakPolarHBondContact CA-O 3.09Å; K304-D313 WeakPolarHBondContact CD-OD1 3.27Å; K304-D313 WeakPolarHBondContact CE-OD1 3.4Å; K304-D313 IonicContact NZ-OD1 3.4Å; K304-D313 PolarHBondContact NZ-OD1 3Å
305	R	92.9	Very high	83.3	Confident	25 Å²	25	65.5 Å²	65.5	9%	0.094	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	153.7	170	-62.6	-68.9	-179.3	-78.2	-7.9	110	S263 L289 D290 A302 V311 Y312 Y314	S263-R305 PolarHBondContact O-NE 2.81Å; L289-R305 HydrophobicContact CB-CB 3.86Å; L289-R305 HydrophobicContact CB-CG 4.43Å; L289-R305 HydrophobicContact CD1-CB 4.03Å; L289-R305 HydrophobicContact CG-CB 4.44Å; D290-R305 CarbonylContact O-C 3.58Å; D290-R305 VanDerWaalsContact O-CA 3.28Å; D290-R305 WeakPolarHBondContact O-CA 3.39Å; A302-R305 PolarHBondContact O-NH1 3.47Å; R305-V311 CarbonylContact O-C 3.59Å; R305-Y312 PolarHBondContact N-O 3.24Å; R305-Y312 PolarHBondContact O-N 2.71Å; R305-Y314 HydrophobicContact CG-CD2 4.23Å; R305-Y314 HydrophobicContact CG-CG 4.34Å
306	C	91.9	Very high	84.2	Confident	19 Å²	19	65.2 Å²	65.2	13%	0.128	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	144.3	-174.3	-77.6	0	0	0	0	112.6	D290 C292 Q310	D290-C306 PolarHBondContact N-O 3.35Å; D290-C306 PolarHBondContact O-N 3.09Å; C292-C306 VanDerWaalsContact CA-SG 3.56Å; C292-C306 HydrophobicContact CB-CB 3.96Å; C292-C306 WeakPolarHBondContact CB-SG 3.36Å; C292-C306 WeakPolarHBondContact SG-CB 3.41Å; C292-C306 CovalentContact SG-SG 2.03Å; C292-C306 PolarHBondContact SG-SG 2.84Å; C306-Q310 CarbonylContact C-O 3.6Å; C306-Q310 WeakPolarHBondContact CA-O 3.35Å
307	C	91	Very high	85.4	Confident	21 Å²	21	60.8 Å²	60.8	14%	0.142	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	123.7	168.6	170.1	0	0	0	0	108.7	L287 L288 L289 G309 Q310 Y312	L287-C307 HydrophobicContact CD1-CB 4.45Å; L288-C307 WeakPolarHBondContact O-CB 3.07Å; L289-C307 HydrophobicContact CD2-CB 3.8Å; C307-G309 PolarHBondContact O-N 3.23Å; C307-G309 VanDerWaalsContact O-N 3.11Å; C307-Q310 PolarHBondContact N-O 3.29Å; C307-Q310 WeakPolarHBondContact O-CB 3.4Å; C307-Q310 PolarHBondContact O-N 3.48Å; C307-Y312 HydrophobicContact CB-CE2 4.18Å
308	K	84.9	Confident	86.8	Confident	196 Å²	196	52.3 Å²	52.3	85%	0.852	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.8	39.7	179.3	-61.1	-178.5	178.7	180	0	114.1	Q310	K308-Q310 VanDerWaalsContact C-N 3.31Å; K308-Q310 PolarHBondContact O-N 2.62Å
309	G	81.1	Confident	88.1	Confident	72 Å²	72	50.9 Å²	50.9	74%	0.742	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.4	-9	-179.9	0	0	0	0	0	115.7	C307	C307-G309 PolarHBondContact O-N 3.23Å; C307-G309 VanDerWaalsContact O-N 3.11Å
310	Q	90.6	Very high	89.6	Confident	109 Å²	109	50.7 Å²	50.7	51%	0.509	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	135.1	172.5	-172.2	176.1	7.2	0	0	110.8	C306 C307 K308 Y312	C306-Q310 CarbonylContact C-O 3.6Å; C306-Q310 WeakPolarHBondContact CA-O 3.35Å; C307-Q310 PolarHBondContact N-O 3.29Å; C307-Q310 WeakPolarHBondContact O-CB 3.4Å; C307-Q310 PolarHBondContact O-N 3.48Å; K308-Q310 VanDerWaalsContact C-N 3.31Å; K308-Q310 PolarHBondContact O-N 2.62Å; Q310-Y312 HydrophobicContact CB-CE2 3.95Å; Q310-Y312 HydrophobicContact CG-CD2 4.44Å; Q310-Y312 HydrophobicContact CG-CE2 3.76Å; Q310-Y312 PolarHBondContact OE1-OH 3.39Å
311	V	92.9	Very high	90.8	Very high	77 Å²	77	47.1 Å²	47.1	47%	0.467	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	137.6	-179.8	-172.6	0	0	0	0	110.3	K304 R305	K304-V311 HydrophobicContact CB-CG1 4.14Å; K304-V311 HydrophobicContact CD-CG1 3.85Å; K304-V311 HydrophobicContact CG-CG1 4.29Å; R305-V311 CarbonylContact O-C 3.59Å
312	Y	93.8	Very high	91.8	Very high	24 Å²	24	47.2 Å²	47.2	9%	0.094	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	144.1	179.2	-64.9	-91.8	0	0	0	110.7	L287 L289 K304 R305 C307 Q310 I317	L287-Y312 HydrophobicContact CD2-CE1 4.43Å; L289-Y312 HydrophobicContact CD2-CD2 3.6Å; L289-Y312 HydrophobicContact CD2-CE2 3.86Å; L289-Y312 HydrophobicContact CD2-CG 4.15Å; K304-Y312 WeakPolarHBondContact CA-O 3.09Å; R305-Y312 PolarHBondContact N-O 3.24Å; R305-Y312 PolarHBondContact O-N 2.71Å; C307-Y312 HydrophobicContact CB-CE2 4.18Å; Q310-Y312 HydrophobicContact CB-CE2 3.95Å; Q310-Y312 HydrophobicContact CG-CD2 4.44Å; Q310-Y312 HydrophobicContact CG-CE2 3.76Å; Q310-Y312 PolarHBondContact OE1-OH 3.39Å; Y312-I317 HydrophobicContact CD1-CD1 3.49Å; Y312-I317 VanDerWaalsContact CD1-CD1 3.49Å; Y312-I317 HydrophobicContact CD1-CG1 3.71Å; Y312-I317 HydrophobicContact CE1-CD1 3.96Å; Y312-I317 HydrophobicContact CE1-CG1 4.45Å; Y312-I317 HydrophobicContact CG-CD1 4.45Å; Y312-I317 HydrophobicContact CG-CG1 4.22Å
313	D	93	Very high	92.6	Very high	76 Å²	76	45.2 Å²	45.2	41%	0.406	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	128.1	176.9	-69.5	-35.2	0	0	0	111.3	K304 Q316 I317	K304-D313 WeakPolarHBondContact CD-OD1 3.27Å; K304-D313 WeakPolarHBondContact CE-OD1 3.4Å; K304-D313 IonicContact NZ-OD1 3.4Å; K304-D313 PolarHBondContact NZ-OD1 3Å; D313-Q316 HydrophobicContact CB-CB 4.22Å; D313-Q316 HydrophobicContact CB-CG 4.47Å; D313-Q316 PolarHBondContact O-N 3.49Å; D313-I317 WeakPolarHBondContact O-CB 3.28Å; D313-I317 WeakPolarHBondContact O-CG2 3.38Å; D313-I317 PolarHBondContact O-N 3.38Å
314	Y	91.9	Very high	93.2	Very high	13 Å²	13	41.3 Å²	41.3	5%	0.051	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.4	133.7	179.6	-178.3	-91.2	0	0	0	110.1	R303 R305 Q316 L318 D339	R303-Y314 PolarHBondContact O-N 3.19Å; R305-Y314 HydrophobicContact CG-CD2 4.23Å; R305-Y314 HydrophobicContact CG-CG 4.34Å; Y314-Q316 PolarHBondContact O-OE1 3.05Å; Y314-L318 HydrophobicContact CD2-CD1 4.46Å; Y314-L318 HydrophobicContact CD2-CG 4.4Å; Y314-L318 HydrophobicContact CE2-CD1 3.77Å; Y314-L318 HydrophobicContact CE2-CD2 4.16Å; Y314-L318 HydrophobicContact CE2-CG 4.09Å; Y314-D339 HydrophobicContact CE1-CB 4.49Å; Y314-D339 WeakPolarHBondContact CE1-OD2 3.37Å; Y314-D339 WeakPolarHBondContact OH-CB 3.31Å; Y314-D339 PolarHBondContact OH-OD2 2.89Å
315	P	93.3	Very high	93.5	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	cis	-86.3	5.4	6.7	33.5	-36.5	0	0	0	116.3	V246 L248 I317 L318 D339	V246-P315 HydrophobicContact CB-CG 4.43Å; V246-P315 HydrophobicContact CG1-CG 4.46Å; L248-P315 HydrophobicContact CD2-CG 4.29Å; P315-I317 VanDerWaalsContact C-N 3.33Å; P315-I317 PolarHBondContact O-N 2.81Å; P315-L318 HydrophobicContact CB-CD1 3.9Å; P315-L318 HydrophobicContact CB-CG 4.48Å; P315-L318 VanDerWaalsContact O-CB 3.24Å; P315-L318 WeakPolarHBondContact O-CB 3.37Å; P315-L318 VanDerWaalsContact O-CG 3.28Å; P315-L318 WeakPolarHBondContact O-CG 3.32Å; P315-L318 PolarHBondContact O-N 3.1Å; P315-D339 HydrophobicContact CB-CB 4.17Å
316	Q	93.8	Very high	93.7	Very high	66 Å²	66	37.2 Å²	37.2	31%	0.308	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-53.9	-42.6	-173.5	-67.5	84	-13	0	0	114.1	L248 D313 Y314 L318 Q319	L248-Q316 HydrophobicContact CD2-CB 4.26Å; L248-Q316 HydrophobicContact CD2-CG 3.75Å; D313-Q316 HydrophobicContact CB-CB 4.22Å; D313-Q316 HydrophobicContact CB-CG 4.47Å; D313-Q316 PolarHBondContact O-N 3.49Å; Y314-Q316 PolarHBondContact O-OE1 3.05Å; Q316-L318 PolarHBondContact O-N 3.41Å; Q316-L318 VanDerWaalsContact O-N 3.09Å; Q316-Q319 WeakPolarHBondContact O-CB 3.42Å; Q316-Q319 PolarHBondContact O-N 3.47Å
317	I	95.1	Very high	93.8	Very high	16 Å²	16	36.4 Å²	36.4	8%	0.082	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-59.2	-23.8	-178.8	-169.9	53.3	0	0	0	113.3	Y258 L261 L287 L289 Y312 D313 P315 Q319 E320	Y258-I317 HydrophobicContact CE2-CD1 4.36Å; L261-I317 HydrophobicContact CD1-CG1 4.01Å; L287-I317 HydrophobicContact CD2-CD1 4.45Å; L287-I317 HydrophobicContact CD2-CG1 4.27Å; L289-I317 HydrophobicContact CD1-CG1 4.11Å; L289-I317 HydrophobicContact CD1-CG2 3.81Å; Y312-I317 HydrophobicContact CD1-CD1 3.49Å; Y312-I317 VanDerWaalsContact CD1-CD1 3.49Å; Y312-I317 HydrophobicContact CD1-CG1 3.71Å; Y312-I317 HydrophobicContact CE1-CD1 3.96Å; Y312-I317 HydrophobicContact CE1-CG1 4.45Å; Y312-I317 HydrophobicContact CG-CD1 4.45Å; Y312-I317 HydrophobicContact CG-CG1 4.22Å; D313-I317 WeakPolarHBondContact O-CB 3.28Å; D313-I317 WeakPolarHBondContact O-CG2 3.38Å; D313-I317 PolarHBondContact O-N 3.38Å; P315-I317 VanDerWaalsContact C-N 3.33Å; P315-I317 PolarHBondContact O-N 2.81Å; I317-Q319 PolarHBondContact O-N 3.45Å; I317-E320 HydrophobicContact CD1-CB 4.12Å; I317-E320 HydrophobicContact CD1-CG 4.09Å; I317-E320 WeakPolarHBondContact O-CB 3.49Å; I317-E320 PolarHBondContact O-N 3.27Å
318	L	96.3	Very high	93.9	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-62.1	-27.9	176.9	-58.1	-179.9	0	0	0	111.8	L261 Y314 P315 Q316 E320 S321 D339 V340 A343 C345	L261-L318 HydrophobicContact CD2-CD2 3.49Å; L261-L318 VanDerWaalsContact CD2-CD2 3.49Å; Y314-L318 HydrophobicContact CD2-CD1 4.46Å; Y314-L318 HydrophobicContact CD2-CG 4.4Å; Y314-L318 HydrophobicContact CE2-CD1 3.77Å; Y314-L318 HydrophobicContact CE2-CD2 4.16Å; Y314-L318 HydrophobicContact CE2-CG 4.09Å; P315-L318 HydrophobicContact CB-CD1 3.9Å; P315-L318 HydrophobicContact CB-CG 4.48Å; P315-L318 VanDerWaalsContact O-CB 3.24Å; P315-L318 WeakPolarHBondContact O-CB 3.37Å; P315-L318 VanDerWaalsContact O-CG 3.28Å; P315-L318 WeakPolarHBondContact O-CG 3.32Å; P315-L318 PolarHBondContact O-N 3.1Å; Q316-L318 PolarHBondContact O-N 3.41Å; Q316-L318 VanDerWaalsContact O-N 3.09Å; L318-E320 PolarHBondContact O-N 2.97Å; L318-S321 PolarHBondContact O-N 2.76Å; L318-D339 HydrophobicContact CD1-CB 4.07Å; L318-V340 HydrophobicContact CD1-CG2 4.08Å; L318-A343 HydrophobicContact CB-CB 3.39Å; L318-A343 HydrophobicContact CD1-CB 4.38Å; L318-C345 WeakPolarHBondContact O-CB 2.97Å
319	Q	95.8	Very high	94.1	Very high	14 Å²	14	32.8 Å²	32.8	7%	0.065	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-68.4	-15.3	177	-60.4	-168.6	-70.7	0	0	113.3	L248 P249 R251 R256 Q316 I317 A343	L248-Q319 HydrophobicContact CD1-CG 4.22Å; P249-Q319 PolarHBondContact O-NE2 3.46Å; R251-Q319 WeakPolarHBondContact CD-O 3.34Å; R251-Q319 PolarHBondContact NE-O 3.09Å; R256-Q319 WeakPolarHBondContact CD-O 3.45Å; R256-Q319 PolarHBondContact NE-O 3.23Å; Q316-Q319 WeakPolarHBondContact O-CB 3.42Å; Q316-Q319 PolarHBondContact O-N 3.47Å; I317-Q319 PolarHBondContact O-N 3.45Å; Q319-A343 HydrophobicContact CG-CB 3.88Å
320	E	96	Very high	94.4	Very high	58 Å²	58	32.7 Å²	32.7	27%	0.271	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-90.1	-0.7	179.2	-61.7	-62	161.1	0	0	113.3	R251 R256 R257 Y258 I317 L318	R251-E320 IonicContact CZ-OE1 3.28Å; R251-E320 IonicContact CZ-OE2 3.15Å; R251-E320 IonicContact NH1-OE1 3.87Å; R251-E320 PolarHBondContact NH1-OE1 3.44Å; R251-E320 IonicContact NH1-OE2 3.83Å; R251-E320 PolarHBondContact NH1-OE2 2.9Å; R251-E320 IonicContact NH2-OE1 2.79Å; R251-E320 IonicContact NH2-OE2 2.7Å; R251-E320 PolarHBondContact NH2-OE2 2.91Å; R256-E320 WeakPolarHBondContact CB-O 3.01Å; R257-E320 HydrophobicContact CB-CB 4.46Å; R257-E320 PolarHBondContact N-O 2.64Å; R257-E320 VanDerWaalsContact N-O 3.08Å; Y258-E320 HydrophobicContact CD2-CB 4Å; Y258-E320 HydrophobicContact CE2-CB 4.3Å; Y258-E320 PolarHBondContact N-O 3.39Å; I317-E320 HydrophobicContact CD1-CB 4.12Å; I317-E320 HydrophobicContact CD1-CG 4.09Å; I317-E320 WeakPolarHBondContact O-CB 3.49Å; I317-E320 PolarHBondContact O-N 3.27Å; L318-E320 PolarHBondContact O-N 2.97Å
321	S	97.4	Very high	94.5	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	145.6	178.6	-165.4	0	0	0	0	112.7	R256 Y258 L261 L318 F323 C345	R256-S321 WeakPolarHBondContact CG-O 3.49Å; Y258-S321 WeakPolarHBondContact O-CA 3.35Å; L261-S321 VanDerWaalsContact CB-CB 3.44Å; L261-S321 VanDerWaalsContact CB-OG 3.31Å; L261-S321 WeakPolarHBondContact CB-OG 3.22Å; L261-S321 PolarHBondContact N-OG 2.94Å; L318-S321 PolarHBondContact O-N 2.76Å; S321-F323 PolarHBondContact OG-O 3.15Å; S321-C345 PolarHBondContact O-SG 3.01Å
322	S	96.9	Very high	94.5	Very high	13 Å²	13	26.5 Å²	26.5	9%	0.091	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	-46.3	175.3	-57.1	0	0	0	0	110.9	R256 Y258 V346	R256-S322 WeakPolarHBondContact CB-OG 3.22Å; Y258-S322 PolarHBondContact O-N 3.02Å; S322-V346 WeakPolarHBondContact O-CB 3.49Å; S322-V346 PolarHBondContact O-N 3.31Å
323	F	98.5	Very high	94.4	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	139.2	178.4	-64.7	-76.9	0	0	0	110.7	F259 I260 L261 S321 V346 V348 V369 L383 I386 V391	F259-F323 HydrophobicContact CD2-CD2 4.21Å; F259-F323 HydrophobicContact CD2-CE2 4.32Å; F259-F323 HydrophobicContact CE1-CD2 4.47Å; F259-F323 AromaticContact CE2-CD2 3.85Å; F259-F323 HydrophobicContact CE2-CD2 3.85Å; F259-F323 AromaticContact CE2-CE2 3.56Å; F259-F323 HydrophobicContact CE2-CE2 3.56Å; F259-F323 AromaticContact CZ-CD2 3.98Å; F259-F323 HydrophobicContact CZ-CD2 3.98Å; F259-F323 AromaticContact CZ-CE2 3.69Å; F259-F323 HydrophobicContact CZ-CE2 3.69Å; F259-F323 WeakPolarHBondContact O-CB 3.44Å; F259-F323 WeakPolarHBondContact O-CD2 3.4Å; F259-F323 PolarHBondContact O-N 3.32Å; I260-F323 CarbonylContact C-O 3.58Å; I260-F323 WeakPolarHBondContact CA-O 3.49Å; I260-F323 HydrophobicContact CG1-CB 4.18Å; L261-F323 PolarHBondContact N-O 2.88Å; S321-F323 PolarHBondContact OG-O 3.15Å; F323-V346 CarbonylContact C-O 3.35Å; F323-V346 WeakPolarHBondContact CA-O 3.41Å; F323-V346 HydrophobicContact CD1-CB 3.68Å; F323-V346 HydrophobicContact CD1-CG1 3.83Å; F323-V346 HydrophobicContact CE1-CB 3.96Å; F323-V346 HydrophobicContact CE1-CG1 3.84Å; F323-V346 HydrophobicContact CE1-CG2 4.48Å; F323-V348 HydrophobicContact CB-CG2 3.74Å; F323-V348 HydrophobicContact CD1-CG2 3.85Å; F323-V348 HydrophobicContact CG-CG2 4.16Å; F323-V369 HydrophobicContact CE1-CG2 4.06Å; F323-L383 HydrophobicContact CB-CD1 4.18Å; F323-L383 HydrophobicContact CD1-CD1 4.44Å; F323-L383 HydrophobicContact CD1-CD2 3.79Å; F323-L383 HydrophobicContact CD2-CB 4.27Å; F323-L383 HydrophobicContact CD2-CD1 4.29Å; F323-L383 HydrophobicContact CE1-CD2 3.77Å; F323-L383 HydrophobicContact CE2-CB 4.09Å; F323-L383 HydrophobicContact CG-CD1 4.06Å; F323-L383 HydrophobicContact CG-CD2 4.21Å; F323-L383 HydrophobicContact CZ-CB 4.33Å; F323-L383 HydrophobicContact CZ-CD2 4.15Å; F323-I386 HydrophobicContact CE1-CD1 4.31Å; F323-I386 HydrophobicContact CZ-CD1 4.23Å; F323-V391 HydrophobicContact CE2-CG2 4.27Å; F323-V391 HydrophobicContact CZ-CG1 4.19Å; F323-V391 HydrophobicContact CZ-CG2 3.66Å
324	C	98.3	Very high	94.3	Very high	1 Å²	1	24 Å²	24	1%	0.007	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	123.3	178.4	-67.5	0	0	0	0	110.1	L261 V340 C345 V346 P347 V348	L261-C324 CarbonylContact O-C 3.54Å; L261-C324 WeakPolarHBondContact O-CA 3.38Å; C324-V340 HydrophobicContact CB-CB 4.25Å; C324-V340 HydrophobicContact CB-CG1 3.66Å; C324-V340 HydrophobicContact CB-CG2 3.53Å; C324-C345 HydrophobicContact CB-CB 3.96Å; C324-C345 WeakPolarHBondContact CB-SG 3.48Å; C324-C345 PolarHBondContact N-SG 3.21Å; C324-C345 WeakPolarHBondContact SG-CB 3.48Å; C324-C345 CovalentContact SG-SG 2.03Å; C324-C345 PolarHBondContact SG-SG 3.14Å; C324-V346 PolarHBondContact N-O 2.93Å; C324-P347 CarbonylContact O-C 3.18Å; C324-P347 WeakPolarHBondContact O-CA 3.43Å; C324-V348 PolarHBondContact O-N 2.82Å
325	V	97.6	Very high	94.3	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.006	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	130.9	-174	-178.8	0	0	0	0	110.3	I260 L261 Q264 L327 L350 M379	I260-V325 HydrophobicContact CG2-CG2 3.54Å; L261-V325 PolarHBondContact O-N 3.15Å; Q264-V325 PolarHBondContact OE1-O 3.18Å; V325-L327 HydrophobicContact CG1-CD1 3.86Å; V325-L327 HydrophobicContact CG1-CD2 4.4Å; V325-L327 HydrophobicContact CG1-CG 3.59Å; V325-L350 HydrophobicContact CG1-CD1 3.86Å; V325-M379 HydrophobicContact CG2-CE 4.22Å; V325-M379 HydrophobicContact CG2-SD 3.97Å
326	V	96.8	Very high	94.3	Very high	6 Å²	6	25 Å²	25	4%	0.036	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	90.7	171.7	-174.8	0	0	0	0	108.1	Q264 L337 V340 P347 V348 I349 L350	Q264-V326 VanDerWaalsContact OE1-CA 3.29Å; V326-L337 HydrophobicContact CG1-CB 4.37Å; V326-L337 HydrophobicContact CG2-CD1 4.39Å; V326-V340 HydrophobicContact CG2-CG2 4.29Å; V326-P347 HydrophobicContact CG2-CB 4.21Å; V326-V348 PolarHBondContact N-O 3.16Å; V326-I349 HydrophobicContact CB-CD1 3.9Å; V326-I349 HydrophobicContact CG1-CD1 4.29Å; V326-I349 HydrophobicContact CG2-CD1 4.21Å; V326-L350 PolarHBondContact O-N 3.15Å
327	L	95.1	Very high	94.4	Very high	1 Å²	1	22 Å²	22	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	156.1	178.7	-78.4	159.2	0	0	0	112.6	Q264 I267 Y271 L275 V325 G329 Q334 L350 L376	Q264-L327 PolarHBondContact NE2-O 2.92Å; I267-L327 HydrophobicContact CD1-CD1 4.09Å; I267-L327 HydrophobicContact CG1-CD1 4.48Å; I267-L327 HydrophobicContact CG2-CD1 4.03Å; Y271-L327 HydrophobicContact CD1-CD2 4.02Å; Y271-L327 HydrophobicContact CG-CD2 4.09Å; L275-L327 HydrophobicContact CD1-CD1 3.59Å; L275-L327 HydrophobicContact CG-CD1 4.43Å; V325-L327 HydrophobicContact CG1-CD1 3.86Å; V325-L327 HydrophobicContact CG1-CD2 4.4Å; V325-L327 HydrophobicContact CG1-CG 3.59Å; L327-G329 PolarHBondContact O-N 3.23Å; L327-Q334 PolarHBondContact O-NE2 3.44Å; L327-L350 CarbonylContact C-O 3.51Å; L327-L350 WeakPolarHBondContact CA-O 3.5Å; L327-L350 HydrophobicContact CD2-CB 3.67Å; L327-L350 HydrophobicContact CD2-CD1 4.14Å; L327-L350 HydrophobicContact CD2-CG 4.46Å; L327-L350 HydrophobicContact CG-CB 4.41Å; L327-L376 HydrophobicContact CD2-CD2 4.45Å
328	R	92.1	Very high	94.4	Very high	117 Å²	117	21.6 Å²	21.6	44%	0.442	12%	0.122	S	C	.	.			trans	-53.3	127.4	165	-178.4	172.5	177.2	175.8	-0.6	111.7	L332 L350 A351 E373	R328-L332 HydrophobicContact CG-CD2 4.13Å; R328-L350 PolarHBondContact N-O 2.91Å; R328-A351 HydrophobicContact CB-CB 4.13Å; R328-E373 WeakPolarHBondContact CD-OE1 3.31Å
329	G	89	Confident	94.4	Very high	24 Å²	24	21.9 Å²	21.9	25%	0.247	12%	0.124	C	C	.	.			trans	-111.8	-172.1	168.9	0	0	0	0	0	111.5	L327 R331	L327-G329 PolarHBondContact O-N 3.23Å; G329-R331 CarbonylContact C-O 3.54Å; G329-R331 PolarHBondContact O-N 3.03Å
330	A	88.9	Confident	94.4	Very high	70 Å²	70	21.2 Å²	21.2	58%	0.579	12%	0.121	S	C	*	.	S	Bend	trans	-58.5	-36.9	172.8	0	0	0	0	0	111.8	Y205	Y205-A330 VanDerWaalsContact CB-O 3.24Å; Y205-A330 WeakPolarHBondContact CB-O 3.41Å; Y205-A330 HydrophobicContact CD1-CB 4.36Å; Y205-A330 HydrophobicContact CD2-CB 4.07Å; Y205-A330 HydrophobicContact CE1-CB 4.32Å; Y205-A330 HydrophobicContact CE2-CB 4.03Å; Y205-A330 HydrophobicContact CG-CB 4.21Å
331	R	92.2	Very high	94.4	Very high	42 Å²	42	18.4 Å²	18.4	16%	0.158	11%	0.108	C	C	.	.	S	Bend	trans	-102.7	139.1	164.2	-66.7	-177.7	174.9	116	2.1	108.9	N169 P199 G200 Y205 G329 Q334	N169-R331 VanDerWaalsContact CG-NH2 3.29Å; N169-R331 PolarHBondContact ND2-NH2 3.18Å; N169-R331 PolarHBondContact OD1-NH2 3.38Å; P199-R331 PolarHBondContact O-NE 2.84Å; G200-R331 PolarHBondContact O-NH2 3.44Å; Y205-R331 HydrophobicContact CD1-CG 3.97Å; G329-R331 CarbonylContact C-O 3.54Å; G329-R331 PolarHBondContact O-N 3.03Å; R331-Q334 PolarHBondContact O-NE2 2.8Å
332	L	92.6	Very high	94.2	Very high	15 Å²	15	18.7 Å²	18.7	8%	0.079	11%	0.109	C	C	.	.	S	Bend	trans	-64.9	-50.2	174.7	-63.1	-178.6	0	0	0	110.8	T207 R328 Q334 Y354	T207-L332 HydrophobicContact CG2-CD1 3.59Å; T207-L332 HydrophobicContact CG2-CG 4.08Å; R328-L332 HydrophobicContact CG-CD2 4.13Å; L332-Q334 PolarHBondContact O-N 3.07Å; L332-Y354 HydrophobicContact CB-CD2 3.64Å; L332-Y354 HydrophobicContact CB-CE2 4.29Å; L332-Y354 HydrophobicContact CB-CG 4.13Å
333	G	91.4	Very high	94.1	Very high	2 Å²	2	18.2 Å²	18.2	2%	0.021	11%	0.106	C	C	.	.			trans	-70.6	121.1	174.2	0	0	0	0	0	112.5	G221	G221-G333 WeakPolarHBondContact O-CA 3.42Å
334	Q	91.4	Very high	93.9	Very high	44 Å²	44	18.5 Å²	18.5	21%	0.206	11%	0.108	C	C	.	.			trans	-139.6	146.3	-179.6	-67	172.5	77	0	0	111	L327 R331 L332 A336 L337	L327-Q334 PolarHBondContact O-NE2 3.44Å; R331-Q334 PolarHBondContact O-NE2 2.8Å; L332-Q334 PolarHBondContact O-N 3.07Å; Q334-A336 PolarHBondContact O-N 3.36Å; Q334-L337 PolarHBondContact O-N 3.16Å
335	A	92.5	Very high	93.8	Very high	23 Å²	23	18.4 Å²	18.4	19%	0.19	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-15.6	-179.8	0	0	0	0	0	113.3	V238 L337 S338 D339	V238-A335 HydrophobicContact CB-CB 4.43Å; V238-A335 HydrophobicContact CG1-CB 4.03Å; V238-A335 WeakPolarHBondContact O-CA 3.39Å; A335-L337 PolarHBondContact O-N 3.4Å; A335-S338 WeakPolarHBondContact O-CB 3.36Å; A335-S338 PolarHBondContact O-N 2.86Å; A335-D339 PolarHBondContact O-N 3.13Å
336	A	93.7	Very high	93.9	Very high	12 Å²	12	18.4 Å²	18.4	10%	0.099	11%	0.108	C	C	.	.	H	α-helix	trans	-53.3	-35.9	173.5	0	0	0	0	0	112.7	Q264 Q334 D339 V340	Q264-A336 HydrophobicContact CG-CB 3.99Å; Q334-A336 PolarHBondContact O-N 3.36Å; A336-D339 PolarHBondContact O-N 2.88Å; A336-V340 WeakPolarHBondContact O-CB 3.48Å; A336-V340 VanDerWaalsContact O-CG2 3.24Å; A336-V340 WeakPolarHBondContact O-CG2 3.48Å; A336-V340 PolarHBondContact O-N 3.19Å
337	L	96	Very high	94	Very high	3 Å²	3	18.1 Å²	18.1	2%	0.016	11%	0.106	C	C	.	.	H	α-helix	trans	-62.2	-45.8	175.5	178.5	58.3	0	0	0	111.6	V326 Q334 A335 D339 V340 L341 P347 I349 Y354 L356 P357 W364	V326-L337 HydrophobicContact CG1-CB 4.37Å; V326-L337 HydrophobicContact CG2-CD1 4.39Å; Q334-L337 PolarHBondContact O-N 3.16Å; A335-L337 PolarHBondContact O-N 3.4Å; L337-D339 VanDerWaalsContact C-N 3.33Å; L337-D339 PolarHBondContact O-N 3.28Å; L337-V340 PolarHBondContact O-N 3.21Å; L337-L341 HydrophobicContact CD1-CG 4.48Å; L337-L341 VanDerWaalsContact O-CG 3.31Å; L337-L341 WeakPolarHBondContact O-CG 3.39Å; L337-L341 PolarHBondContact O-N 3.09Å; L337-L341 VanDerWaalsContact O-N 3.11Å; L337-P347 HydrophobicContact CD1-CB 3.89Å; L337-P347 HydrophobicContact CD1-CG 4.24Å; L337-I349 HydrophobicContact CD1-CD1 3.73Å; L337-Y354 HydrophobicContact CD2-CE1 4.28Å; L337-L356 HydrophobicContact CD2-CD2 3.98Å; L337-P357 HydrophobicContact CD2-CG 4.05Å; L337-W364 HydrophobicContact CD1-CH2 4.24Å; L337-W364 HydrophobicContact CD1-CZ3 4.1Å; L337-W364 HydrophobicContact CD2-CH2 3.9Å; L337-W364 HydrophobicContact CD2-CZ3 4.46Å; L337-W364 HydrophobicContact CG-CH2 4.25Å
338	S	95.1	Very high	94.1	Very high	7 Å²	7	18 Å²	18	5%	0.049	11%	0.106	C	C	.	.	H	α-helix	trans	-62	-42.8	177.4	-178.6	0	0	0	0	111.3	A335 V340 L341 Q342	A335-S338 WeakPolarHBondContact O-CB 3.36Å; A335-S338 PolarHBondContact O-N 2.86Å; S338-V340 PolarHBondContact O-N 3.06Å; S338-L341 PolarHBondContact O-N 3.38Å; S338-Q342 WeakPolarHBondContact O-CB 3.46Å; S338-Q342 PolarHBondContact O-N 3.46Å
339	D	94.9	Very high	94.4	Very high	6 Å²	6	12.7 Å²	12.7	3%	0.032	9%	0.086	C	C	.	.	H	α-helix	trans	-66.7	-37.5	-178.8	-65.5	-3.7	0	0	0	112	S243 Y314 P315 L318 A335 A336 L337 Q342 A343	S243-D339 VanDerWaalsContact CB-CG 3.46Å; S243-D339 WeakPolarHBondContact CB-OD1 3.41Å; S243-D339 WeakPolarHBondContact CB-OD2 3.48Å; S243-D339 PolarHBondContact OG-OD1 3.05Å; S243-D339 PolarHBondContact OG-OD2 2.83Å; Y314-D339 HydrophobicContact CE1-CB 4.49Å; Y314-D339 WeakPolarHBondContact CE1-OD2 3.37Å; Y314-D339 WeakPolarHBondContact OH-CB 3.31Å; Y314-D339 PolarHBondContact OH-OD2 2.89Å; P315-D339 HydrophobicContact CB-CB 4.17Å; L318-D339 HydrophobicContact CD1-CB 4.07Å; A335-D339 PolarHBondContact O-N 3.13Å; A336-D339 PolarHBondContact O-N 2.88Å; L337-D339 VanDerWaalsContact C-N 3.33Å; L337-D339 PolarHBondContact O-N 3.28Å; D339-Q342 PolarHBondContact O-N 2.84Å; D339-A343 PolarHBondContact O-N 3.1Å; D339-A343 VanDerWaalsContact O-N 3.08Å
340	V	96.2	Very high	94.7	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-64.3	-45	174.3	165.5	0	0	0	0	111.6	L318 C324 V326 A336 L337 S338 A343 G344 C345 P347	L318-V340 HydrophobicContact CD1-CG2 4.08Å; C324-V340 HydrophobicContact CB-CB 4.25Å; C324-V340 HydrophobicContact CB-CG1 3.66Å; C324-V340 HydrophobicContact CB-CG2 3.53Å; V326-V340 HydrophobicContact CG2-CG2 4.29Å; A336-V340 WeakPolarHBondContact O-CB 3.48Å; A336-V340 VanDerWaalsContact O-CG2 3.24Å; A336-V340 WeakPolarHBondContact O-CG2 3.48Å; A336-V340 PolarHBondContact O-N 3.19Å; L337-V340 PolarHBondContact O-N 3.21Å; S338-V340 PolarHBondContact O-N 3.06Å; V340-A343 PolarHBondContact O-N 2.98Å; V340-G344 PolarHBondContact O-N 3.44Å; V340-C345 HydrophobicContact CG1-CB 4.15Å; V340-C345 VanDerWaalsContact CG1-O 3.27Å; V340-C345 WeakPolarHBondContact CG1-O 3.49Å; V340-C345 PolarHBondContact O-N 2.8Å; V340-P347 HydrophobicContact CG1-CB 3.72Å; V340-P347 HydrophobicContact CG1-CG 4.26Å
341	L	95.8	Very high	95	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-64.7	-42.2	176.4	-65.1	173.9	0	0	0	111.6	L337 S338 A343 G344 P347 W364 A398 R399 W402 F406	L337-L341 HydrophobicContact CD1-CG 4.48Å; L337-L341 VanDerWaalsContact O-CG 3.31Å; L337-L341 WeakPolarHBondContact O-CG 3.39Å; L337-L341 PolarHBondContact O-N 3.09Å; L337-L341 VanDerWaalsContact O-N 3.11Å; S338-L341 PolarHBondContact O-N 3.38Å; L341-A343 PolarHBondContact O-N 3.39Å; L341-G344 PolarHBondContact O-N 3.36Å; L341-P347 HydrophobicContact CD2-CG 3.92Å; L341-W364 HydrophobicContact CD1-CH2 3.82Å; L341-W364 HydrophobicContact CD1-CZ3 4.09Å; L341-W364 HydrophobicContact CD2-CZ3 4.17Å; L341-A398 HydrophobicContact CD2-CB 3.66Å; L341-R399 WeakPolarHBondContact O-CA 3.4Å; L341-W402 HydrophobicContact CB-CB 3.77Å; L341-W402 HydrophobicContact CB-CG 4.44Å; L341-F406 HydrophobicContact CD1-CD1 3.85Å; L341-F406 HydrophobicContact CD1-CE1 3.55Å; L341-F406 HydrophobicContact CD1-CE2 4.43Å; L341-F406 HydrophobicContact CD1-CG 4.39Å; L341-F406 HydrophobicContact CD1-CZ 3.9Å
342	Q	94.1	Very high	95.1	Very high	6 Å²	6	10.1 Å²	10.1	3%	0.028	6%	0.061	C	C	.	.	H	α-helix	trans	-55.2	-42.7	174.5	-171.5	-173.5	36.9	0	0	110.9	S243 V246 L248 S338 D339 G344 R399 W402	S243-Q342 PolarHBondContact O-NE2 3.07Å; V246-Q342 PolarHBondContact O-NE2 3.39Å; L248-Q342 HydrophobicContact CD1-CB 4.44Å; L248-Q342 HydrophobicContact CD1-CG 3.83Å; L248-Q342 HydrophobicContact CG-CG 4.5Å; S338-Q342 WeakPolarHBondContact O-CB 3.46Å; S338-Q342 PolarHBondContact O-N 3.46Å; D339-Q342 PolarHBondContact O-N 2.84Å; Q342-G344 PolarHBondContact O-N 3.47Å; Q342-R399 WeakPolarHBondContact O-CD 3.01Å; Q342-R399 PolarHBondContact O-NH1 2.76Å; Q342-W402 HydrophobicContact CB-CD2 3.78Å; Q342-W402 HydrophobicContact CB-CE3 4.42Å; Q342-W402 HydrophobicContact CB-CG 3.93Å; Q342-W402 HydrophobicContact CB-CZ2 4.21Å; Q342-W402 HydrophobicContact CG-CD2 3.81Å; Q342-W402 VanDerWaalsContact CG-CE2 3.49Å; Q342-W402 HydrophobicContact CG-CE3 4.08Å; Q342-W402 HydrophobicContact CG-CG 4.49Å; Q342-W402 HydrophobicContact CG-CH2 3.86Å; Q342-W402 HydrophobicContact CG-CZ2 3.54Å; Q342-W402 HydrophobicContact CG-CZ3 4.12Å; Q342-W402 VanDerWaalsContact NE2-CZ2 3.31Å
343	A	94.8	Very high	95.1	Very high	3 Å²	3	11.6 Å²	11.6	3%	0.025	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-9.9	179.5	0	0	0	0	0	114.5	L248 L318 Q319 D339 V340 L341 C345	L248-A343 HydrophobicContact CD1-CB 4.09Å; L318-A343 HydrophobicContact CB-CB 3.39Å; L318-A343 HydrophobicContact CD1-CB 4.38Å; Q319-A343 HydrophobicContact CG-CB 3.88Å; D339-A343 PolarHBondContact O-N 3.1Å; D339-A343 VanDerWaalsContact O-N 3.08Å; V340-A343 PolarHBondContact O-N 2.98Å; L341-A343 PolarHBondContact O-N 3.39Å; A343-C345 HydrophobicContact CB-CB 4.5Å; A343-C345 PolarHBondContact O-N 3.27Å
344	G	94.2	Very high	95.3	Very high	5 Å²	5	12.6 Å²	12.6	5%	0.052	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.1	26.1	-172.6	0	0	0	0	0	112.7	V340 L341 Q342 Q395	V340-G344 PolarHBondContact O-N 3.44Å; L341-G344 PolarHBondContact O-N 3.36Å; Q342-G344 PolarHBondContact O-N 3.47Å; G344-Q395 WeakPolarHBondContact O-CB 3.45Å; G344-Q395 VanDerWaalsContact O-CG 3.31Å; G344-Q395 WeakPolarHBondContact O-CG 3.39Å
345	C	96.8	Very high	95.5	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.073	C	C	.	.			trans	-88.9	140.2	171.2	-173.6	0	0	0	0	108.5	L318 S321 C324 V340 A343 P347	L318-C345 WeakPolarHBondContact O-CB 2.97Å; S321-C345 PolarHBondContact O-SG 3.01Å; C324-C345 HydrophobicContact CB-CB 3.96Å; C324-C345 WeakPolarHBondContact CB-SG 3.48Å; C324-C345 PolarHBondContact N-SG 3.21Å; C324-C345 WeakPolarHBondContact SG-CB 3.48Å; C324-C345 CovalentContact SG-SG 2.03Å; C324-C345 PolarHBondContact SG-SG 3.14Å; V340-C345 HydrophobicContact CG1-CB 4.15Å; V340-C345 VanDerWaalsContact CG1-O 3.27Å; V340-C345 WeakPolarHBondContact CG1-O 3.49Å; V340-C345 PolarHBondContact O-N 2.8Å; A343-C345 HydrophobicContact CB-CB 4.5Å; A343-C345 PolarHBondContact O-N 3.27Å; C345-P347 WeakPolarHBondContact O-CD 3.35Å
346	V	98.3	Very high	95.7	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	112.7	-178.1	-178.5	0	0	0	0	109.3	S322 F323 C324 V348 V369 V391 M394 Q395	S322-V346 WeakPolarHBondContact O-CB 3.49Å; S322-V346 PolarHBondContact O-N 3.31Å; F323-V346 CarbonylContact C-O 3.35Å; F323-V346 WeakPolarHBondContact CA-O 3.41Å; F323-V346 HydrophobicContact CD1-CB 3.68Å; F323-V346 HydrophobicContact CD1-CG1 3.83Å; F323-V346 HydrophobicContact CE1-CB 3.96Å; F323-V346 HydrophobicContact CE1-CG1 3.84Å; F323-V346 HydrophobicContact CE1-CG2 4.48Å; C324-V346 PolarHBondContact N-O 2.93Å; V346-V348 PolarHBondContact O-N 3.24Å; V346-V369 HydrophobicContact CG1-CG2 4.25Å; V346-V391 HydrophobicContact CG2-CG1 4.18Å; V346-M394 HydrophobicContact CG1-CB 4.06Å; V346-M394 HydrophobicContact CG1-SD 4.03Å; V346-M394 HydrophobicContact CG2-CB 3.63Å; V346-Q395 HydrophobicContact CG2-CG 3.65Å
347	P	98.3	Very high	95.9	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	130	177	23.3	-33.7	0	0	0	111.9	C324 V326 L337 V340 L341 C345 I349 A367 S368 V369	C324-P347 CarbonylContact O-C 3.18Å; C324-P347 WeakPolarHBondContact O-CA 3.43Å; V326-P347 HydrophobicContact CG2-CB 4.21Å; L337-P347 HydrophobicContact CD1-CB 3.89Å; L337-P347 HydrophobicContact CD1-CG 4.24Å; V340-P347 HydrophobicContact CG1-CB 3.72Å; V340-P347 HydrophobicContact CG1-CG 4.26Å; L341-P347 HydrophobicContact CD2-CG 3.92Å; C345-P347 WeakPolarHBondContact O-CD 3.35Å; P347-I349 HydrophobicContact CB-CD1 3.86Å; P347-A367 VanDerWaalsContact CD-O 3.23Å; P347-A367 WeakPolarHBondContact CD-O 3.05Å; P347-S368 VanDerWaalsContact O-CA 3.31Å; P347-S368 WeakPolarHBondContact O-CA 3.32Å; P347-S368 WeakPolarHBondContact O-CB 3.11Å; P347-V369 PolarHBondContact O-N 3.43Å
348	V	98.4	Very high	96	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	102.6	169.6	-175.3	0	0	0	0	107.5	F323 C324 V326 V346 L350 V369 I371 M379 L383	F323-V348 HydrophobicContact CB-CG2 3.74Å; F323-V348 HydrophobicContact CD1-CG2 3.85Å; F323-V348 HydrophobicContact CG-CG2 4.16Å; C324-V348 PolarHBondContact O-N 2.82Å; V326-V348 PolarHBondContact N-O 3.16Å; V346-V348 PolarHBondContact O-N 3.24Å; V348-L350 HydrophobicContact CG1-CD1 4.04Å; V348-V369 CarbonylContact C-O 3.6Å; V348-V369 VanDerWaalsContact CA-O 3.27Å; V348-V369 WeakPolarHBondContact CA-O 3.35Å; V348-I371 HydrophobicContact CG1-CD1 3.66Å; V348-I371 HydrophobicContact CG1-CG1 4.11Å; V348-M379 HydrophobicContact CG1-CG 4.4Å; V348-M379 HydrophobicContact CG1-SD 4.02Å; V348-L383 HydrophobicContact CG1-CD1 4.44Å; V348-L383 HydrophobicContact CG2-CD1 3.83Å; V348-L383 HydrophobicContact CG2-CD2 3.89Å
349	I	97.8	Very high	95.9	Very high	4 Å²	4	12.7 Å²	12.7	2%	0.021	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	118.8	-174.5	-47.9	-60.3	0	0	0	109.1	V326 L337 P347 A351 L356 V369 V370 I371	V326-I349 HydrophobicContact CB-CD1 3.9Å; V326-I349 HydrophobicContact CG1-CD1 4.29Å; V326-I349 HydrophobicContact CG2-CD1 4.21Å; L337-I349 HydrophobicContact CD1-CD1 3.73Å; P347-I349 HydrophobicContact CB-CD1 3.86Å; I349-A351 HydrophobicContact CG2-CB 4.46Å; I349-L356 HydrophobicContact CD1-CD2 4.1Å; I349-L356 HydrophobicContact CG1-CD1 4.45Å; I349-L356 HydrophobicContact CG1-CD2 4.11Å; I349-L356 HydrophobicContact CG2-CD2 4.24Å; I349-V369 PolarHBondContact N-O 3.25Å; I349-V370 HydrophobicContact CB-CG2 4.2Å; I349-V370 HydrophobicContact CG1-CG2 4.34Å; I349-I371 PolarHBondContact O-N 3.11Å
350	L	96.6	Very high	95.5	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.005	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	68.4	176.3	-76.1	139.9	0	0	0	108.3	V325 V326 L327 R328 V348 I371 L376 M379	V325-L350 HydrophobicContact CG1-CD1 3.86Å; V326-L350 PolarHBondContact O-N 3.15Å; L327-L350 CarbonylContact C-O 3.51Å; L327-L350 WeakPolarHBondContact CA-O 3.5Å; L327-L350 HydrophobicContact CD2-CB 3.67Å; L327-L350 HydrophobicContact CD2-CD1 4.14Å; L327-L350 HydrophobicContact CD2-CG 4.46Å; L327-L350 HydrophobicContact CG-CB 4.41Å; R328-L350 PolarHBondContact N-O 2.91Å; V348-L350 HydrophobicContact CG1-CD1 4.04Å; L350-I371 HydrophobicContact CD2-CB 3.88Å; L350-I371 HydrophobicContact CD2-CG2 3.92Å; L350-I371 WeakPolarHBondContact CD2-O 3.32Å; L350-I371 HydrophobicContact CG-CB 4.25Å; L350-L376 HydrophobicContact CD1-CD1 3.67Å; L350-L376 HydrophobicContact CD2-CB 4.15Å; L350-L376 HydrophobicContact CD2-CD1 3.87Å; L350-L376 HydrophobicContact CG-CD1 4.39Å; L350-M379 HydrophobicContact CD1-SD 3.86Å
351	A	94.8	Very high	95.1	Very high	11 Å²	11	17 Å²	17	9%	0.091	10%	0.098	C	C	.	.			trans	-149.1	92.4	179.3	0	0	0	0	0	108.3	R328 I349 Y354 E373	R328-A351 HydrophobicContact CB-CB 4.13Å; I349-A351 HydrophobicContact CG2-CB 4.46Å; A351-Y354 WeakPolarHBondContact O-CB 3.42Å; A351-Y354 PolarHBondContact O-N 3.09Å; A351-E373 WeakPolarHBondContact CA-OE1 3.46Å
352	D	92.8	Very high	94.8	Very high	70 Å²	70	17.3 Å²	17.3	37%	0.374	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	146.1	-179	-68	-16	0	0	0	109.2	Y354 E373	D352-Y354 PolarHBondContact O-N 3.25Å; D352-Y354 VanDerWaalsContact O-N 3.09Å; D352-E373 HydrophobicContact CB-CG 4.26Å; D352-E373 PolarHBondContact N-OE1 3.36Å; D352-E373 PolarHBondContact OD1-N 3.14Å; D352-E373 VanDerWaalsContact OD1-N 3.15Å; D352-E373 WeakPolarHBondContact OD2-CB 3.48Å; D352-E373 PolarHBondContact OD2-N 3.14Å
353	S	92.6	Very high	94.2	Very high	47 Å²	47	18 Å²	18	33%	0.329	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.3	-7	-175	78.7	0	0	0	0	117.2	S224 T225 I355	S224-S353 CarbonylContact C-O 3.55Å; S224-S353 WeakPolarHBondContact CA-O 3.25Å; T225-S353 PolarHBondContact N-O 3.37Å; T225-S353 WeakPolarHBondContact OG1-CB 3.24Å; S353-I355 PolarHBondContact O-N 3.41Å
354	Y	96	Very high	93.9	Very high	23 Å²	23	18.5 Å²	18.5	9%	0.09	11%	0.105	C	C	.	.	B	Isolated β-bridge	trans	-67.7	127	179.7	177.9	-137.1	0	0	0	111.8	F223 L332 L337 A351 D352 L356	F223-Y354 WeakPolarHBondContact O-CD2 3.25Å; L332-Y354 HydrophobicContact CB-CD2 3.64Å; L332-Y354 HydrophobicContact CB-CE2 4.29Å; L332-Y354 HydrophobicContact CB-CG 4.13Å; L337-Y354 HydrophobicContact CD2-CE1 4.28Å; A351-Y354 WeakPolarHBondContact O-CB 3.42Å; A351-Y354 PolarHBondContact O-N 3.09Å; D352-Y354 PolarHBondContact O-N 3.25Å; D352-Y354 VanDerWaalsContact O-N 3.09Å; Y354-L356 HydrophobicContact CD1-CD2 3.85Å; Y354-L356 HydrophobicContact CE1-CD2 3.7Å; Y354-L356 PolarHBondContact O-N 3.19Å
355	I	96.5	Very high	93.3	Very high	24 Å²	24	24.8 Å²	24.8	12%	0.123	13%	0.131	C	C	.	.			trans	-87.1	105.6	175.1	-55.9	-55.6	0	0	0	109.3	F223 T225 Y228 S235 S353 S359	F223-I355 HydrophobicContact CB-CB 4.01Å; F223-I355 HydrophobicContact CB-CG1 4.19Å; F223-I355 PolarHBondContact O-N 3.22Å; T225-I355 HydrophobicContact CG2-CD1 3.72Å; Y228-I355 HydrophobicContact CD1-CD1 4.29Å; Y228-I355 HydrophobicContact CD1-CG1 3.97Å; Y228-I355 HydrophobicContact CD1-CG2 3.89Å; Y228-I355 HydrophobicContact CD2-CG2 4.43Å; Y228-I355 HydrophobicContact CE1-CG2 3.99Å; Y228-I355 HydrophobicContact CG-CB 4.45Å; Y228-I355 HydrophobicContact CG-CG1 3.96Å; Y228-I355 HydrophobicContact CG-CG2 4.13Å; S235-I355 PolarHBondContact OG-O 3.3Å; S353-I355 PolarHBondContact O-N 3.41Å; I355-S359 WeakPolarHBondContact CG2-OG 3.33Å
356	L	96.9	Very high	92.7	Very high	18 Å²	18	26.5 Å²	26.5	9%	0.094	14%	0.137	C	C	.	.			trans	-58.9	147	-179	-68	171.7	0	0	0	112	S235 L337 I349 Y354 F358 S359 W364 V370	S235-L356 PolarHBondContact OG-O 2.83Å; L337-L356 HydrophobicContact CD2-CD2 3.98Å; I349-L356 HydrophobicContact CD1-CD2 4.1Å; I349-L356 HydrophobicContact CG1-CD1 4.45Å; I349-L356 HydrophobicContact CG1-CD2 4.11Å; I349-L356 HydrophobicContact CG2-CD2 4.24Å; Y354-L356 HydrophobicContact CD1-CD2 3.85Å; Y354-L356 HydrophobicContact CE1-CD2 3.7Å; Y354-L356 PolarHBondContact O-N 3.19Å; L356-F358 PolarHBondContact O-N 3.01Å; L356-S359 WeakPolarHBondContact O-CB 3.13Å; L356-S359 PolarHBondContact O-N 2.94Å; L356-S359 PolarHBondContact O-OG 3.43Å; L356-W364 HydrophobicContact CB-CD2 3.97Å; L356-W364 HydrophobicContact CB-CG 3.98Å; L356-W364 HydrophobicContact CB-CZ2 4.08Å; L356-W364 HydrophobicContact CD1-CB 3.67Å; L356-W364 HydrophobicContact CD1-CD2 3.68Å; L356-W364 HydrophobicContact CD1-CE3 4.13Å; L356-W364 HydrophobicContact CD1-CG 3.46Å; L356-W364 VanDerWaalsContact CD1-CG 3.46Å; L356-W364 HydrophobicContact CG-CD2 4.32Å; L356-W364 HydrophobicContact CG-CG 4.33Å; L356-V370 HydrophobicContact CD1-CG2 4.4Å
357	P	97.9	Very high	92.3	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	134.8	-178.2	-27.7	35.2	0	0	0	112.9	P237 L337 S359 W364 F406	P237-P357 HydrophobicContact CB-CB 3.94Å; P237-P357 HydrophobicContact CB-CG 3.87Å; P237-P357 HydrophobicContact CG-CB 4.41Å; L337-P357 HydrophobicContact CD2-CG 4.05Å; P357-S359 PolarHBondContact O-N 3.04Å; P357-W364 HydrophobicContact CB-CZ2 4.17Å; P357-W364 HydrophobicContact CG-CZ2 4.3Å; P357-W364 WeakPolarHBondContact O-CZ2 3.46Å; P357-W364 PolarHBondContact O-NE1 3.06Å; P357-F406 HydrophobicContact CB-CE1 4.07Å; P357-F406 HydrophobicContact CB-CZ 3.66Å; P357-F406 HydrophobicContact CG-CE1 4.09Å; P357-F406 HydrophobicContact CG-CZ 4.12Å
358	F	98	Very high	92.2	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.8	25.3	179.9	-50.3	-55.3	0	0	0	114.3	V234 S235 I236 P237 L356 E360 V361 L362 F406 I412 T415 I419	V234-F358 HydrophobicContact CG1-CD1 4.02Å; V234-F358 HydrophobicContact CG1-CE1 4.13Å; S235-F358 VanDerWaalsContact O-CD1 3.24Å; S235-F358 WeakPolarHBondContact O-CD1 3.39Å; S235-F358 PolarHBondContact O-N 3.11Å; I236-F358 HydrophobicContact CB-CE1 4.4Å; I236-F358 HydrophobicContact CB-CZ 4.46Å; I236-F358 HydrophobicContact CG2-CE1 3.78Å; I236-F358 HydrophobicContact CG2-CZ 4.21Å; P237-F358 VanDerWaalsContact CD-CE2 3.47Å; P237-F358 HydrophobicContact CG-CE2 4.12Å; L356-F358 PolarHBondContact O-N 3.01Å; F358-E360 PolarHBondContact O-N 3.26Å; F358-V361 HydrophobicContact CB-CG2 4.12Å; F358-V361 WeakPolarHBondContact O-CG2 3.12Å; F358-V361 PolarHBondContact O-N 3.35Å; F358-L362 HydrophobicContact CB-CD1 3.8Å; F358-L362 HydrophobicContact CB-CG 3.77Å; F358-L362 HydrophobicContact CD2-CD1 4.12Å; F358-L362 HydrophobicContact CG-CD1 4.46Å; F358-L362 PolarHBondContact O-N 2.64Å; F358-F406 HydrophobicContact CD2-CE2 4.07Å; F358-F406 HydrophobicContact CE2-CE2 4.39Å; F358-I412 HydrophobicContact CZ-CG2 4.2Å; F358-T415 HydrophobicContact CD1-CG2 3.91Å; F358-T415 HydrophobicContact CD2-CG2 3.99Å; F358-T415 HydrophobicContact CE1-CG2 3.74Å; F358-T415 HydrophobicContact CE2-CG2 3.84Å; F358-T415 HydrophobicContact CG-CG2 4.01Å; F358-T415 HydrophobicContact CZ-CG2 3.71Å; F358-I419 HydrophobicContact CB-CD1 4.15Å; F358-I419 HydrophobicContact CD1-CD1 3.42Å; F358-I419 VanDerWaalsContact CD1-CD1 3.42Å; F358-I419 HydrophobicContact CE1-CD1 4.12Å; F358-I419 HydrophobicContact CG-CD1 4.11Å
359	S	91.6	Very high	92.1	Very high	48 Å²	48	27.5 Å²	27.5	34%	0.336	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-14.5	-176.3	43.6	0	0	0	0	115.3	I355 L356 P357 V361	I355-S359 WeakPolarHBondContact CG2-OG 3.33Å; L356-S359 WeakPolarHBondContact O-CB 3.13Å; L356-S359 PolarHBondContact O-N 2.94Å; L356-S359 PolarHBondContact O-OG 3.43Å; P357-S359 PolarHBondContact O-N 3.04Å; S359-V361 VanDerWaalsContact C-N 3.34Å
360	E	86.6	Confident	91.9	Very high	71 Å²	71	31.7 Å²	31.7	33%	0.332	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-24.9	172.3	67.2	-175.1	120.2	0	0	113.7	F358 I419 R423	F358-E360 PolarHBondContact O-N 3.26Å; E360-I419 HydrophobicContact CG-CD1 4.47Å; E360-I419 HydrophobicContact CG-CG2 4.18Å; E360-I419 WeakPolarHBondContact OE1-CG2 3.28Å; E360-I419 WeakPolarHBondContact OE2-CG2 3.38Å; E360-R423 IonicContact OE1-CZ 3.82Å; E360-R423 IonicContact OE1-NH2 3.08Å; E360-R423 PolarHBondContact OE1-NH2 3.48Å; E360-R423 IonicContact OE2-CZ 3.46Å; E360-R423 VanDerWaalsContact OE2-CZ 3.28Å; E360-R423 IonicContact OE2-NE 2.93Å; E360-R423 PolarHBondContact OE2-NE 2.84Å; E360-R423 IonicContact OE2-NH2 3.71Å; E360-R423 PolarHBondContact OE2-NH2 2.85Å
361	V	88.3	Confident	91.8	Very high	27 Å²	27	31.8 Å²	31.8	16%	0.164	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122	-27.6	-179.6	-72.3	0	0	0	0	113.2	F358 S359 I419 W435 N436	F358-V361 HydrophobicContact CB-CG2 4.12Å; F358-V361 WeakPolarHBondContact O-CG2 3.12Å; F358-V361 PolarHBondContact O-N 3.35Å; S359-V361 VanDerWaalsContact C-N 3.34Å; V361-I419 HydrophobicContact CG1-CG1 4.24Å; V361-I419 HydrophobicContact CG2-CD1 3.64Å; V361-I419 HydrophobicContact CG2-CG1 3.84Å; V361-W435 HydrophobicContact CB-CB 4.37Å; V361-W435 HydrophobicContact CB-CD2 3.86Å; V361-W435 HydrophobicContact CB-CE3 4.45Å; V361-W435 HydrophobicContact CB-CG 3.82Å; V361-W435 HydrophobicContact CG1-CD2 4.26Å; V361-W435 HydrophobicContact CG1-CG 4.29Å; V361-W435 HydrophobicContact CG1-CZ2 4.35Å; V361-W435 HydrophobicContact CG2-CD2 4.04Å; V361-W435 HydrophobicContact CG2-CE3 4.15Å; V361-W435 HydrophobicContact CG2-CG 4.47Å; V361-W435 HydrophobicContact CG2-CZ3 4.45Å; V361-N436 PolarHBondContact O-ND2 2.91Å
362	L	89.7	Confident	91.9	Very high	5 Å²	5	33.9 Å²	33.9	3%	0.026	18%	0.182	C	C	.	.	S	Bend	trans	-93	126.2	178.8	-58.6	-170.1	0	0	0	111.4	F358 W364 F401 Y405 F406 W435	F358-L362 HydrophobicContact CB-CD1 3.8Å; F358-L362 HydrophobicContact CB-CG 3.77Å; F358-L362 HydrophobicContact CD2-CD1 4.12Å; F358-L362 HydrophobicContact CG-CD1 4.46Å; F358-L362 PolarHBondContact O-N 2.64Å; L362-W364 PolarHBondContact O-N 3.19Å; L362-F401 HydrophobicContact CB-CE1 4.41Å; L362-F401 HydrophobicContact CB-CE2 4.19Å; L362-F401 HydrophobicContact CB-CZ 3.99Å; L362-F401 HydrophobicContact CD1-CD1 4.48Å; L362-F401 HydrophobicContact CD1-CD2 4.46Å; L362-F401 HydrophobicContact CD1-CG 4.4Å; L362-F401 HydrophobicContact CD2-CD1 4.4Å; L362-F401 HydrophobicContact CD2-CE1 4.05Å; L362-F401 HydrophobicContact CD2-CZ 4.47Å; L362-Y405 HydrophobicContact CD1-CD2 3.77Å; L362-Y405 HydrophobicContact CD1-CE2 4.37Å; L362-Y405 HydrophobicContact CD1-CG 4.34Å; L362-Y405 HydrophobicContact CD2-CD2 3.66Å; L362-Y405 HydrophobicContact CD2-CE2 3.4Å; L362-Y405 HydrophobicContact CD2-CG 4.44Å; L362-Y405 HydrophobicContact CG-CD2 4.37Å; L362-F406 HydrophobicContact CD1-CE2 4.04Å; L362-W435 HydrophobicContact CD2-CE3 4.46Å
363	D	82.3	Confident	92	Very high	20 Å²	20	31.9 Å²	31.9	11%	0.107	17%	0.17	C	C	.	.			trans	-84.8	90.7	176.4	-173.7	-3.3	0	0	0	111.3	K365 R366 Y432 N436 P453	D363-K365 PolarHBondContact O-N 3.13Å; D363-K365 WeakPolarHBondContact OD1-CB 3.21Å; D363-K365 PolarHBondContact OD1-N 2.98Å; D363-R366 HydrophobicContact CB-CG 4.39Å; D363-R366 WeakPolarHBondContact O-CB 3.31Å; D363-R366 PolarHBondContact O-N 3.4Å; D363-R366 VanDerWaalsContact O-N 3.16Å; D363-R366 WeakPolarHBondContact OD2-CD 3.3Å; D363-Y432 HydrophobicContact CB-CE2 3.91Å; D363-Y432 PolarHBondContact OD2-OH 2.88Å; D363-N436 WeakPolarHBondContact CB-OD1 3.48Å; D363-N436 PolarHBondContact N-OD1 3.42Å; D363-P453 WeakPolarHBondContact OD1-CG 3.39Å; D363-P453 WeakPolarHBondContact OD2-CD 3.33Å; D363-P453 WeakPolarHBondContact OD2-CG 3.49Å
364	W	86.9	Confident	92.1	Very high	15 Å²	15	37.2 Å²	37.2	6%	0.057	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-62.6	-25.1	-178.7	-76.9	96.8	0	0	0	114.1	L337 L341 L356 P357 L362 R366 A367 S368 F406	L337-W364 HydrophobicContact CD1-CH2 4.24Å; L337-W364 HydrophobicContact CD1-CZ3 4.1Å; L337-W364 HydrophobicContact CD2-CH2 3.9Å; L337-W364 HydrophobicContact CD2-CZ3 4.46Å; L337-W364 HydrophobicContact CG-CH2 4.25Å; L341-W364 HydrophobicContact CD1-CH2 3.82Å; L341-W364 HydrophobicContact CD1-CZ3 4.09Å; L341-W364 HydrophobicContact CD2-CZ3 4.17Å; L356-W364 HydrophobicContact CB-CD2 3.97Å; L356-W364 HydrophobicContact CB-CG 3.98Å; L356-W364 HydrophobicContact CB-CZ2 4.08Å; L356-W364 HydrophobicContact CD1-CB 3.67Å; L356-W364 HydrophobicContact CD1-CD2 3.68Å; L356-W364 HydrophobicContact CD1-CE3 4.13Å; L356-W364 HydrophobicContact CD1-CG 3.46Å; L356-W364 VanDerWaalsContact CD1-CG 3.46Å; L356-W364 HydrophobicContact CG-CD2 4.32Å; L356-W364 HydrophobicContact CG-CG 4.33Å; P357-W364 HydrophobicContact CB-CZ2 4.17Å; P357-W364 HydrophobicContact CG-CZ2 4.3Å; P357-W364 WeakPolarHBondContact O-CZ2 3.46Å; P357-W364 PolarHBondContact O-NE1 3.06Å; L362-W364 PolarHBondContact O-N 3.19Å; W364-R366 PolarHBondContact O-N 3.48Å; W364-R366 VanDerWaalsContact O-N 3.11Å; W364-A367 CarbonylContact O-C 3.56Å; W364-A367 PolarHBondContact O-N 3.21Å; W364-S368 PolarHBondContact O-N 3.39Å; W364-S368 PolarHBondContact O-OG 2.85Å; W364-F406 HydrophobicContact CH2-CE1 4.12Å; W364-F406 AromaticContact CH2-CZ 3.68Å; W364-F406 HydrophobicContact CH2-CZ 3.68Å; W364-F406 HydrophobicContact CZ2-CE1 4.45Å; W364-F406 AromaticContact CZ2-CZ 3.68Å; W364-F406 HydrophobicContact CZ2-CZ 3.68Å
365	K	82.6	Confident	92.1	Very high	137 Å²	137	40.1 Å²	40.1	60%	0.596	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	-63.7	-21.1	177.7	-65.6	170.1	176.8	176	0	112.6	D363 M394 P453	D363-K365 PolarHBondContact O-N 3.13Å; D363-K365 WeakPolarHBondContact OD1-CB 3.21Å; D363-K365 PolarHBondContact OD1-N 2.98Å; K365-M394 WeakPolarHBondContact O-CE 3.22Å; K365-P453 HydrophobicContact CB-CG 3.98Å; K365-P453 HydrophobicContact CD-CB 3.41Å; K365-P453 VanDerWaalsContact CD-CB 3.41Å; K365-P453 HydrophobicContact CD-CG 3.58Å; K365-P453 HydrophobicContact CG-CG 4.39Å
366	R	83.3	Confident	92.1	Very high	36 Å²	36	39.3 Å²	39.3	14%	0.136	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-83.1	-16.9	175.7	-65.7	178.4	57.3	174.5	-6.5	113.4	D363 W364 M394 Q397 Y432 N436 N437	D363-R366 HydrophobicContact CB-CG 4.39Å; D363-R366 WeakPolarHBondContact O-CB 3.31Å; D363-R366 PolarHBondContact O-N 3.4Å; D363-R366 VanDerWaalsContact O-N 3.16Å; D363-R366 WeakPolarHBondContact OD2-CD 3.3Å; W364-R366 PolarHBondContact O-N 3.48Å; W364-R366 VanDerWaalsContact O-N 3.11Å; R366-M394 VanDerWaalsContact O-CA 3.3Å; R366-M394 WeakPolarHBondContact O-CA 3.41Å; R366-M394 WeakPolarHBondContact O-CG 3.43Å; R366-Q397 HydrophobicContact CB-CG 3.81Å; R366-Q397 VanDerWaalsContact O-CB 3.26Å; R366-Q397 WeakPolarHBondContact O-CB 3.35Å; R366-Y432 WeakPolarHBondContact CD-OH 3.37Å; R366-N436 PolarHBondContact NH1-O 3.38Å; R366-N436 PolarHBondContact NH2-O 2.92Å; R366-N437 PolarHBondContact NH1-OD1 3.47Å; R366-N437 PolarHBondContact NH2-OD1 3.03Å; R366-N437 VanDerWaalsContact NH2-OD1 3.09Å
367	A	89.9	Confident	92	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121	-18	-174.3	0	0	0	0	0	113.5	P347 W364 Q397 A398 F401	P347-A367 VanDerWaalsContact CD-O 3.23Å; P347-A367 WeakPolarHBondContact CD-O 3.05Å; W364-A367 CarbonylContact O-C 3.56Å; W364-A367 PolarHBondContact O-N 3.21Å; A367-Q397 HydrophobicContact CB-CB 4.15Å; A367-Q397 HydrophobicContact CB-CG 3.84Å; A367-A398 HydrophobicContact CB-CB 4.46Å; A367-F401 HydrophobicContact CB-CD2 3.54Å; A367-F401 HydrophobicContact CB-CE2 3.5Å; A367-F401 HydrophobicContact CB-CZ 4.46Å
368	S	96.1	Very high	91.9	Very high	4 Å²	4	45.8 Å²	45.8	3%	0.028	24%	0.235	C	C	.	.			trans	-138.7	164.8	-172.7	76.3	0	0	0	0	112.6	P347 W364	P347-S368 VanDerWaalsContact O-CA 3.31Å; P347-S368 WeakPolarHBondContact O-CA 3.32Å; P347-S368 WeakPolarHBondContact O-CB 3.11Å; W364-S368 PolarHBondContact O-N 3.39Å; W364-S368 PolarHBondContact O-OG 2.85Å
369	V	96.1	Very high	91.8	Very high	17 Å²	17	45.8 Å²	45.8	10%	0.103	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	120	166.8	-174.5	0	0	0	0	107.4	F323 V346 P347 V348 I349 I371 L383 I386 M394	F323-V369 HydrophobicContact CE1-CG2 4.06Å; V346-V369 HydrophobicContact CG1-CG2 4.25Å; P347-V369 PolarHBondContact O-N 3.43Å; V348-V369 CarbonylContact C-O 3.6Å; V348-V369 VanDerWaalsContact CA-O 3.27Å; V348-V369 WeakPolarHBondContact CA-O 3.35Å; I349-V369 PolarHBondContact N-O 3.25Å; V369-I371 HydrophobicContact CG1-CD1 4.27Å; V369-I371 HydrophobicContact CG1-CG1 3.94Å; V369-L383 HydrophobicContact CB-CD2 3.99Å; V369-L383 HydrophobicContact CG1-CD2 3.86Å; V369-L383 HydrophobicContact CG2-CD2 3.95Å; V369-I386 HydrophobicContact CG1-CD1 4.34Å; V369-I386 HydrophobicContact CG2-CD1 3.57Å; V369-M394 HydrophobicContact CG2-CE 4.49Å; V369-M394 HydrophobicContact CG2-SD 4.33Å
370	V	94.8	Very high	92.1	Very high	92 Å²	92	45.7 Å²	45.7	56%	0.558	23%	0.228	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-97.6	122.2	175.4	-175.8	0	0	0	0	108.2	I349 L356	I349-V370 HydrophobicContact CB-CG2 4.2Å; I349-V370 HydrophobicContact CG1-CG2 4.34Å; L356-V370 HydrophobicContact CD1-CG2 4.4Å
371	I	95.3	Very high	92.5	Very high	3 Å²	3	47.1 Å²	47.1	2%	0.015	24%	0.241	C	C	.	.			trans	-119.5	127.5	179.3	-57.8	-178.3	0	0	0	107.3	V348 I349 L350 V369 K375 M379 I382 L383	V348-I371 HydrophobicContact CG1-CD1 3.66Å; V348-I371 HydrophobicContact CG1-CG1 4.11Å; I349-I371 PolarHBondContact O-N 3.11Å; L350-I371 HydrophobicContact CD2-CB 3.88Å; L350-I371 HydrophobicContact CD2-CG2 3.92Å; L350-I371 WeakPolarHBondContact CD2-O 3.32Å; L350-I371 HydrophobicContact CG-CB 4.25Å; V369-I371 HydrophobicContact CG1-CD1 4.27Å; V369-I371 HydrophobicContact CG1-CG1 3.94Å; I371-K375 HydrophobicContact CG2-CB 3.93Å; I371-M379 HydrophobicContact CD1-CB 4.14Å; I371-M379 HydrophobicContact CD1-CG 3.81Å; I371-I382 HydrophobicContact CD1-CB 4.42Å; I371-I382 HydrophobicContact CD1-CD1 4.42Å; I371-I382 HydrophobicContact CD1-CG2 4.16Å; I371-I382 HydrophobicContact CG2-CD1 4.1Å; I371-L383 HydrophobicContact CD1-CD2 4.34Å; I371-L383 HydrophobicContact CD1-CG 4.39Å
372	P	95.1	Very high	92.7	Very high	55 Å²	55	48.1 Å²	48.1	36%	0.357	25%	0.246	S	C	.	.			trans	-54.9	140.9	173.1	-25.1	34.8	0	0	0	111	E374 K375	P372-E374 HydrophobicContact CB-CG 4.03Å; P372-E374 PolarHBondContact O-N 2.96Å; P372-E374 VanDerWaalsContact O-N 3.15Å; P372-K375 HydrophobicContact CB-CG 4.43Å; P372-K375 PolarHBondContact O-N 3.24Å
373	E	94.9	Very high	93	Very high	27 Å²	27	47.9 Å²	47.9	13%	0.126	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-56.9	-35	-176.9	-69.3	177.4	-155.8	0	0	112.6	Y271 R328 A351 D352 K375 L376	Y271-E373 HydrophobicContact CE1-CB 4.34Å; Y271-E373 HydrophobicContact CE1-CG 4.41Å; Y271-E373 PolarHBondContact OH-OE2 3.47Å; R328-E373 WeakPolarHBondContact CD-OE1 3.31Å; A351-E373 WeakPolarHBondContact CA-OE1 3.46Å; D352-E373 HydrophobicContact CB-CG 4.26Å; D352-E373 PolarHBondContact N-OE1 3.36Å; D352-E373 PolarHBondContact OD1-N 3.14Å; D352-E373 VanDerWaalsContact OD1-N 3.15Å; D352-E373 WeakPolarHBondContact OD2-CB 3.48Å; D352-E373 PolarHBondContact OD2-N 3.14Å; E373-K375 PolarHBondContact O-N 2.93Å; E373-L376 WeakPolarHBondContact O-CB 3.32Å; E373-L376 PolarHBondContact O-N 3.41Å
374	E	95.3	Very high	93.6	Very high	159 Å²	159	53.8 Å²	53.8	74%	0.743	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-63.5	-22.3	176.8	67.3	-179.2	-169.3	0	0	114	P372	P372-E374 HydrophobicContact CB-CG 4.03Å; P372-E374 PolarHBondContact O-N 2.96Å; P372-E374 VanDerWaalsContact O-N 3.15Å
375	K	95.7	Very high	93.8	Very high	84 Å²	84	57.5 Å²	57.5	37%	0.365	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-98.8	16.6	-179.5	-62.5	-163.9	175.9	-172.9	0	113.2	I371 P372 E373 S377 E378 M379 I382	I371-K375 HydrophobicContact CG2-CB 3.93Å; P372-K375 HydrophobicContact CB-CG 4.43Å; P372-K375 PolarHBondContact O-N 3.24Å; E373-K375 PolarHBondContact O-N 2.93Å; K375-S377 PolarHBondContact O-N 3.37Å; K375-E378 PolarHBondContact O-N 2.85Å; K375-M379 PolarHBondContact O-N 2.95Å; K375-I382 HydrophobicContact CB-CD1 4.5Å
376	L	95.9	Very high	93.7	Very high	7 Å²	7	52.1 Å²	52.1	4%	0.037	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-55.6	-39.1	178	179.4	59	0	0	0	111.8	Y271 E274 L275 L278 L327 L350 E373 E378 M379	Y271-L376 HydrophobicContact CD1-CD2 3.88Å; E274-L376 HydrophobicContact CB-CD2 3.85Å; E274-L376 HydrophobicContact CB-CG 4.36Å; E274-L376 HydrophobicContact CG-CB 4.14Å; E274-L376 HydrophobicContact CG-CD2 3.6Å; E274-L376 HydrophobicContact CG-CG 3.56Å; L275-L376 HydrophobicContact CD2-CD1 4.35Å; L278-L376 HydrophobicContact CD1-CD1 4.46Å; L278-L376 WeakPolarHBondContact CD1-O 3.27Å; L327-L376 HydrophobicContact CD2-CD2 4.45Å; L350-L376 HydrophobicContact CD1-CD1 3.67Å; L350-L376 HydrophobicContact CD2-CB 4.15Å; L350-L376 HydrophobicContact CD2-CD1 3.87Å; L350-L376 HydrophobicContact CG-CD1 4.39Å; E373-L376 WeakPolarHBondContact O-CB 3.32Å; E373-L376 PolarHBondContact O-N 3.41Å; L376-E378 PolarHBondContact O-N 2.89Å; L376-M379 HydrophobicContact CD1-CB 4.47Å; L376-M379 HydrophobicContact CD1-CE 4.07Å; L376-M379 HydrophobicContact CD1-SD 4.16Å; L376-M379 WeakPolarHBondContact O-CB 3.46Å; L376-M379 PolarHBondContact O-N 2.82Å; L376-M379 VanDerWaalsContact O-N 3.09Å
377	S	95.9	Very high	93.8	Very high	58 Å²	58	54.1 Å²	54.1	41%	0.406	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-56.4	-31.6	174.3	53.3	0	0	0	0	114	E274 L278 K375	E274-S377 WeakPolarHBondContact OE1-CA 3Å; E274-S377 WeakPolarHBondContact OE1-CB 3.26Å; E274-S377 PolarHBondContact OE1-N 3.49Å; L278-S377 WeakPolarHBondContact CD2-O 3.37Å; K375-S377 PolarHBondContact O-N 3.37Å
378	E	95.6	Very high	93.4	Very high	96 Å²	96	61.3 Å²	61.3	45%	0.449	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-92.8	-1.7	-178.3	-63.8	178.9	-110.2	0	0	112.6	K375 L376 Y380 T381 I382	K375-E378 PolarHBondContact O-N 2.85Å; L376-E378 PolarHBondContact O-N 2.89Å; E378-Y380 VanDerWaalsContact C-N 3.29Å; E378-Y380 PolarHBondContact O-N 3.32Å; E378-T381 PolarHBondContact O-N 2.93Å; E378-I382 HydrophobicContact CB-CD1 3.97Å; E378-I382 HydrophobicContact CB-CG1 4.33Å; E378-I382 WeakPolarHBondContact O-CG1 3.44Å; E378-I382 PolarHBondContact O-N 3.34Å
379	M	96.8	Very high	92.7	Very high	0 Å²	0	69.2 Å²	69.2	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-51	-46.7	-172.7	173.3	178	62.3	0	0	112.4	I260 L275 L278 V325 V348 L350 I371 K375 L376 T381 I382 L383	I260-M379 HydrophobicContact CD1-CE 4.4Å; I260-M379 HydrophobicContact CG2-CE 4.17Å; L275-M379 HydrophobicContact CD2-CE 3.96Å; L278-M379 HydrophobicContact CD1-CE 3.66Å; V325-M379 HydrophobicContact CG2-CE 4.22Å; V325-M379 HydrophobicContact CG2-SD 3.97Å; V348-M379 HydrophobicContact CG1-CG 4.4Å; V348-M379 HydrophobicContact CG1-SD 4.02Å; L350-M379 HydrophobicContact CD1-SD 3.86Å; I371-M379 HydrophobicContact CD1-CB 4.14Å; I371-M379 HydrophobicContact CD1-CG 3.81Å; K375-M379 PolarHBondContact O-N 2.95Å; L376-M379 HydrophobicContact CD1-CB 4.47Å; L376-M379 HydrophobicContact CD1-CE 4.07Å; L376-M379 HydrophobicContact CD1-SD 4.16Å; L376-M379 WeakPolarHBondContact O-CB 3.46Å; L376-M379 PolarHBondContact O-N 2.82Å; L376-M379 VanDerWaalsContact O-N 3.09Å; M379-T381 PolarHBondContact O-N 2.87Å; M379-I382 PolarHBondContact O-N 2.74Å; M379-L383 HydrophobicContact CG-CD1 3.62Å; M379-L383 HydrophobicContact CG-CG 4.24Å; M379-L383 WeakPolarHBondContact O-CB 3.43Å; M379-L383 VanDerWaalsContact O-CG 3.22Å; M379-L383 WeakPolarHBondContact O-CG 3.1Å; M379-L383 PolarHBondContact O-N 2.03Å; M379-L383 HydrophobicContact SD-CD1 4.32Å
380	Y	96.8	Very high	91.9	Very high	46 Å²	46	72.5 Å²	72.5	18%	0.18	37%	0.369	C	S	.	.	H	α-helix	trans	-61.4	-45.6	-178.3	-176.7	-92.4	0	0	0	112	F259 I260 N282 A285 E378 L383 K384	F259-Y380 AromaticContact CD1-CD2 3.94Å; F259-Y380 HydrophobicContact CD1-CD2 3.94Å; F259-Y380 AromaticContact CD1-CE2 3.61Å; F259-Y380 HydrophobicContact CD1-CE2 3.61Å; F259-Y380 HydrophobicContact CE1-CD2 4.13Å; F259-Y380 HydrophobicContact CE1-CE2 4.02Å; I260-Y380 HydrophobicContact CD1-CD2 3.89Å; N282-Y380 HydrophobicContact CB-CD2 3.94Å; N282-Y380 HydrophobicContact CB-CE2 3.81Å; N282-Y380 HydrophobicContact CB-CG 4.41Å; N282-Y380 WeakPolarHBondContact OD1-CD1 3.48Å; N282-Y380 WeakPolarHBondContact OD1-CE1 3.33Å; N282-Y380 VanDerWaalsContact OD1-CZ 3.32Å; A285-Y380 HydrophobicContact CB-CE2 4.08Å; E378-Y380 VanDerWaalsContact C-N 3.29Å; E378-Y380 PolarHBondContact O-N 3.32Å; Y380-L383 PolarHBondContact O-N 3.42Å; Y380-K384 HydrophobicContact CE1-CD 3.99Å; Y380-K384 VanDerWaalsContact O-CB 3.28Å; Y380-K384 WeakPolarHBondContact O-CB 3.41Å; Y380-K384 PolarHBondContact O-N 2.86Å
381	T	95.5	Very high	91.5	Very high	101 Å²	101	68.7 Å²	68.7	62%	0.62	35%	0.346	S	S	*	.	H	α-helix	trans	-64.5	-43.1	179.2	-56	0	0	0	0	111.5	E378 M379 K384 S385	E378-T381 PolarHBondContact O-N 2.93Å; M379-T381 PolarHBondContact O-N 2.87Å; T381-K384 PolarHBondContact O-N 2.94Å; T381-S385 PolarHBondContact O-N 3.38Å
382	I	92.8	Very high	91.1	Very high	49 Å²	49	71.4 Å²	71.4	25%	0.251	36%	0.358	S	S	.	.	H	α-helix	trans	-59.6	-51.7	176.7	-66.8	166.7	0	0	0	110	I371 K375 E378 M379 K384 S385	I371-I382 HydrophobicContact CD1-CB 4.42Å; I371-I382 HydrophobicContact CD1-CD1 4.42Å; I371-I382 HydrophobicContact CD1-CG2 4.16Å; I371-I382 HydrophobicContact CG2-CD1 4.1Å; K375-I382 HydrophobicContact CB-CD1 4.5Å; E378-I382 HydrophobicContact CB-CD1 3.97Å; E378-I382 HydrophobicContact CB-CG1 4.33Å; E378-I382 WeakPolarHBondContact O-CG1 3.44Å; E378-I382 PolarHBondContact O-N 3.34Å; M379-I382 PolarHBondContact O-N 2.74Å; I382-K384 VanDerWaalsContact C-N 3.32Å; I382-K384 PolarHBondContact O-N 2.99Å; I382-S385 WeakPolarHBondContact O-CB 3.23Å; I382-S385 PolarHBondContact O-N 3.48Å; I382-S385 VanDerWaalsContact O-N 3.13Å; I382-S385 PolarHBondContact O-OG 3.24Å
383	L	95.9	Very high	90.4	Very high	0 Å²	0	71.5 Å²	71.5	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-66.2	-34.8	-177.4	-64.5	174.6	0	0	0	112.2	F259 I260 F323 V348 V369 I371 M379 Y380 S385 I386	F259-L383 HydrophobicContact CE1-CB 3.98Å; F259-L383 HydrophobicContact CZ-CB 3.98Å; I260-L383 HydrophobicContact CD1-CD1 3.61Å; I260-L383 HydrophobicContact CG1-CD1 3.8Å; F323-L383 HydrophobicContact CB-CD1 4.18Å; F323-L383 HydrophobicContact CD1-CD1 4.44Å; F323-L383 HydrophobicContact CD1-CD2 3.79Å; F323-L383 HydrophobicContact CD2-CB 4.27Å; F323-L383 HydrophobicContact CD2-CD1 4.29Å; F323-L383 HydrophobicContact CE1-CD2 3.77Å; F323-L383 HydrophobicContact CE2-CB 4.09Å; F323-L383 HydrophobicContact CG-CD1 4.06Å; F323-L383 HydrophobicContact CG-CD2 4.21Å; F323-L383 HydrophobicContact CZ-CB 4.33Å; F323-L383 HydrophobicContact CZ-CD2 4.15Å; V348-L383 HydrophobicContact CG1-CD1 4.44Å; V348-L383 HydrophobicContact CG2-CD1 3.83Å; V348-L383 HydrophobicContact CG2-CD2 3.89Å; V369-L383 HydrophobicContact CB-CD2 3.99Å; V369-L383 HydrophobicContact CG1-CD2 3.86Å; V369-L383 HydrophobicContact CG2-CD2 3.95Å; I371-L383 HydrophobicContact CD1-CD2 4.34Å; I371-L383 HydrophobicContact CD1-CG 4.39Å; M379-L383 HydrophobicContact CG-CD1 3.62Å; M379-L383 HydrophobicContact CG-CG 4.24Å; M379-L383 WeakPolarHBondContact O-CB 3.43Å; M379-L383 VanDerWaalsContact O-CG 3.22Å; M379-L383 WeakPolarHBondContact O-CG 3.1Å; M379-L383 PolarHBondContact O-N 2.03Å; M379-L383 HydrophobicContact SD-CD1 4.32Å; Y380-L383 PolarHBondContact O-N 3.42Å; L383-S385 PolarHBondContact O-N 3.21Å; L383-I386 HydrophobicContact CD2-CD1 4.13Å; L383-I386 WeakPolarHBondContact O-CB 3.41Å; L383-I386 PolarHBondContact O-N 2.91Å
384	K	94.1	Very high	90.1	Very high	144 Å²	144	70.8 Å²	70.8	63%	0.626	35%	0.351	S	S	*	.	H	α-helix	trans	-66.4	-24.2	175.8	-169.1	176	-178.6	-177.3	0	113.1	F259 Y380 T381 I382 I386	F259-K384 HydrophobicContact CZ-CB 4.45Å; Y380-K384 HydrophobicContact CE1-CD 3.99Å; Y380-K384 VanDerWaalsContact O-CB 3.28Å; Y380-K384 WeakPolarHBondContact O-CB 3.41Å; Y380-K384 PolarHBondContact O-N 2.86Å; T381-K384 PolarHBondContact O-N 2.94Å; I382-K384 VanDerWaalsContact C-N 3.32Å; I382-K384 PolarHBondContact O-N 2.99Å; K384-I386 PolarHBondContact O-N 3.37Å
385	S	91.2	Very high	90	Very high	92 Å²	92	63.4 Å²	63.4	64%	0.643	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-13.5	176.5	78.6	0	0	0	0	113.7	T381 I382 L383	T381-S385 PolarHBondContact O-N 3.38Å; I382-S385 WeakPolarHBondContact O-CB 3.23Å; I382-S385 PolarHBondContact O-N 3.48Å; I382-S385 VanDerWaalsContact O-N 3.13Å; I382-S385 PolarHBondContact O-OG 3.24Å; L383-S385 PolarHBondContact O-N 3.21Å
386	I	81.8	Confident	89.7	Confident	25 Å²	25	64.1 Å²	64.1	13%	0.128	32%	0.317	C	S	.	.	S	Bend	trans	-81	123.5	-177.8	-55.7	176.9	0	0	0	109.6	F323 V369 L383 K384 Q390 V391	F323-I386 HydrophobicContact CE1-CD1 4.31Å; F323-I386 HydrophobicContact CZ-CD1 4.23Å; V369-I386 HydrophobicContact CG1-CD1 4.34Å; V369-I386 HydrophobicContact CG2-CD1 3.57Å; L383-I386 HydrophobicContact CD2-CD1 4.13Å; L383-I386 WeakPolarHBondContact O-CB 3.41Å; L383-I386 PolarHBondContact O-N 2.91Å; K384-I386 PolarHBondContact O-N 3.37Å; I386-Q390 HydrophobicContact CG2-CB 4.04Å; I386-Q390 HydrophobicContact CG2-CG 4.07Å; I386-V391 HydrophobicContact CB-CG2 4.35Å; I386-V391 HydrophobicContact CG2-CG2 3.8Å
387	P	83.8	Confident	89.3	Confident	77 Å²	77	64.2 Å²	64.2	50%	0.5	32%	0.317	S	S	.	.			trans	-60.3	140.9	178.5	-23.7	33.8	0	0	0	112.9	R389 Q390 V391	P387-R389 VanDerWaalsContact C-N 3.26Å; P387-R389 PolarHBondContact O-N 3.25Å; P387-R389 VanDerWaalsContact O-N 3.14Å; P387-Q390 WeakPolarHBondContact O-CA 3.3Å; P387-Q390 WeakPolarHBondContact O-CB 3.32Å; P387-Q390 PolarHBondContact O-N 2.98Å; P387-V391 PolarHBondContact O-N 2.77Å; P387-V391 VanDerWaalsContact O-N 3.14Å
388	H	83	Confident	89.2	Confident	152 Å²	152	61.4 Å²	61.4	70%	0.704	30%	0.298	S	S	*	.	H	α-helix	trans	-51.9	-41	-179.8	-70.3	-63	0	0	0	114	Q390 V391 E392	H388-Q390 VanDerWaalsContact C-N 3.29Å; H388-Q390 PolarHBondContact O-N 3.34Å; H388-V391 WeakPolarHBondContact O-CB 3.27Å; H388-V391 PolarHBondContact O-N 3.49Å; H388-V391 VanDerWaalsContact O-N 3.13Å; H388-E392 PolarHBondContact O-N 3.44Å
389	R	79.6	Confident	89	Confident	169 Å²	169	60.2 Å²	60.2	64%	0.638	29%	0.289	S	S	*	.	H	α-helix	trans	-59	-40.9	176.9	-178.8	179.4	174.5	153.8	0.9	112.3	P387 V391 E392 E393	P387-R389 VanDerWaalsContact C-N 3.26Å; P387-R389 PolarHBondContact O-N 3.25Å; P387-R389 VanDerWaalsContact O-N 3.14Å; R389-V391 VanDerWaalsContact C-N 3.35Å; R389-E392 PolarHBondContact O-N 3.48Å; R389-E393 IonicContact NE-OE1 2.79Å; R389-E393 PolarHBondContact NE-OE1 3.27Å; R389-E393 WeakPolarHBondContact O-CG 3.44Å; R389-E393 PolarHBondContact O-N 2.87Å; R389-E393 VanDerWaalsContact O-N 3.1Å
390	Q	79.5	Confident	88.8	Confident	86 Å²	86	61.8 Å²	61.8	40%	0.402	30%	0.295	S	S	.	.	H	α-helix	trans	-67.4	-38.3	177.6	-174.3	177.9	-0	0	0	110.8	I386 P387 H388 E392 E393 M394	I386-Q390 HydrophobicContact CG2-CB 4.04Å; I386-Q390 HydrophobicContact CG2-CG 4.07Å; P387-Q390 WeakPolarHBondContact O-CA 3.3Å; P387-Q390 WeakPolarHBondContact O-CB 3.32Å; P387-Q390 PolarHBondContact O-N 2.98Å; H388-Q390 VanDerWaalsContact C-N 3.29Å; H388-Q390 PolarHBondContact O-N 3.34Å; Q390-E392 PolarHBondContact O-N 3.1Å; Q390-E393 PolarHBondContact O-N 3.4Å; Q390-M394 HydrophobicContact CG-CE 4.01Å; Q390-M394 HydrophobicContact CG-SD 4.39Å; Q390-M394 WeakPolarHBondContact O-CG 3.47Å; Q390-M394 PolarHBondContact O-N 2.86Å
391	V	86.4	Confident	88.7	Confident	12 Å²	12	59.6 Å²	59.6	7%	0.073	29%	0.286	C	S	.	.	H	α-helix	trans	-60.9	-44.4	174.7	-178.6	0	0	0	0	111.2	F323 V346 I386 P387 H388 R389 E393 M394 Q395	F323-V391 HydrophobicContact CE2-CG2 4.27Å; F323-V391 HydrophobicContact CZ-CG1 4.19Å; F323-V391 HydrophobicContact CZ-CG2 3.66Å; V346-V391 HydrophobicContact CG2-CG1 4.18Å; I386-V391 HydrophobicContact CB-CG2 4.35Å; I386-V391 HydrophobicContact CG2-CG2 3.8Å; P387-V391 PolarHBondContact O-N 2.77Å; P387-V391 VanDerWaalsContact O-N 3.14Å; H388-V391 WeakPolarHBondContact O-CB 3.27Å; H388-V391 PolarHBondContact O-N 3.49Å; H388-V391 VanDerWaalsContact O-N 3.13Å; R389-V391 VanDerWaalsContact C-N 3.35Å; V391-E393 VanDerWaalsContact C-N 3.33Å; V391-E393 PolarHBondContact O-N 2.91Å; V391-M394 WeakPolarHBondContact O-CB 2.97Å; V391-M394 PolarHBondContact O-N 3.49Å; V391-Q395 HydrophobicContact CG1-CG 4.46Å; V391-Q395 VanDerWaalsContact O-CG 3.32Å; V391-Q395 WeakPolarHBondContact O-CG 3.49Å; V391-Q395 PolarHBondContact O-N 3.13Å
392	E	86.6	Confident	88.7	Confident	60 Å²	60	56.3 Å²	56.3	28%	0.28	26%	0.263	S	S	.	.	H	α-helix	trans	-62.3	-40.1	176.5	-68.1	-178.1	-176.6	0	0	112.6	P253 H388 R389 Q390 M394 Q395 R396	P253-E392 HydrophobicContact CB-CB 3.98Å; P253-E392 HydrophobicContact CB-CG 4.36Å; P253-E392 WeakPolarHBondContact CB-O 3.32Å; H388-E392 PolarHBondContact O-N 3.44Å; R389-E392 PolarHBondContact O-N 3.48Å; Q390-E392 PolarHBondContact O-N 3.1Å; E392-M394 VanDerWaalsContact C-N 3.35Å; E392-Q395 PolarHBondContact O-N 3.28Å; E392-R396 WeakPolarHBondContact O-CG 3.14Å; E392-R396 PolarHBondContact O-N 2.84Å; E392-R396 VanDerWaalsContact O-N 3.1Å; E392-R396 IonicContact OE2-NH2 3.78Å; E392-R396 PolarHBondContact OE2-NH2 2.88Å
393	E	82.1	Confident	88.7	Confident	58 Å²	58	58.4 Å²	58.4	27%	0.271	27%	0.272	S	S	.	.	H	α-helix	trans	-63.4	-41.8	174.6	-72.4	170.2	-173.4	0	0	111	R389 Q390 V391 R396 Q397 W443	R389-E393 IonicContact NE-OE1 2.79Å; R389-E393 PolarHBondContact NE-OE1 3.27Å; R389-E393 WeakPolarHBondContact O-CG 3.44Å; R389-E393 PolarHBondContact O-N 2.87Å; R389-E393 VanDerWaalsContact O-N 3.1Å; Q390-E393 PolarHBondContact O-N 3.4Å; V391-E393 VanDerWaalsContact C-N 3.33Å; V391-E393 PolarHBondContact O-N 2.91Å; E393-R396 PolarHBondContact O-N 2.98Å; E393-Q397 WeakPolarHBondContact O-CB 3.31Å; E393-Q397 PolarHBondContact O-N 3.2Å; E393-W443 HydrophobicContact CG-CH2 4.19Å
394	M	88.4	Confident	88.5	Confident	11 Å²	11	60.2 Å²	60.2	5%	0.054	29%	0.286	C	S	.	.	H	α-helix	trans	-63.4	-41.1	174.7	-71.4	172.2	168.4	0	0	112.9	V346 K365 R366 V369 Q390 V391 E392 R396 Q397 A398	V346-M394 HydrophobicContact CG1-CB 4.06Å; V346-M394 HydrophobicContact CG1-SD 4.03Å; V346-M394 HydrophobicContact CG2-CB 3.63Å; K365-M394 WeakPolarHBondContact O-CE 3.22Å; R366-M394 VanDerWaalsContact O-CA 3.3Å; R366-M394 WeakPolarHBondContact O-CA 3.41Å; R366-M394 WeakPolarHBondContact O-CG 3.43Å; V369-M394 HydrophobicContact CG2-CE 4.49Å; V369-M394 HydrophobicContact CG2-SD 4.33Å; Q390-M394 HydrophobicContact CG-CE 4.01Å; Q390-M394 HydrophobicContact CG-SD 4.39Å; Q390-M394 WeakPolarHBondContact O-CG 3.47Å; Q390-M394 PolarHBondContact O-N 2.86Å; V391-M394 WeakPolarHBondContact O-CB 2.97Å; V391-M394 PolarHBondContact O-N 3.49Å; E392-M394 VanDerWaalsContact C-N 3.35Å; M394-R396 PolarHBondContact O-N 2.96Å; M394-Q397 PolarHBondContact O-N 2.89Å; M394-A398 VanDerWaalsContact O-CB 3.27Å; M394-A398 WeakPolarHBondContact O-CB 3.45Å; M394-A398 PolarHBondContact O-N 2.84Å
395	Q	92.8	Very high	88.6	Confident	4 Å²	4	53.9 Å²	53.9	2%	0.019	26%	0.258	C	S	.	.	H	α-helix	trans	-62.4	-41.9	176.2	-70.9	174.8	-19.6	0	0	111.9	P253 G254 G344 V346 V391 E392 R399	P253-Q395 VanDerWaalsContact CA-OE1 3.28Å; P253-Q395 HydrophobicContact CB-CB 4.22Å; G254-Q395 PolarHBondContact O-NE2 2.98Å; G254-Q395 PolarHBondContact O-OE1 3.18Å; G344-Q395 WeakPolarHBondContact O-CB 3.45Å; G344-Q395 VanDerWaalsContact O-CG 3.31Å; G344-Q395 WeakPolarHBondContact O-CG 3.39Å; V346-Q395 HydrophobicContact CG2-CG 3.65Å; V391-Q395 HydrophobicContact CG1-CG 4.46Å; V391-Q395 VanDerWaalsContact O-CG 3.32Å; V391-Q395 WeakPolarHBondContact O-CG 3.49Å; V391-Q395 PolarHBondContact O-N 3.13Å; E392-Q395 PolarHBondContact O-N 3.28Å; Q395-R399 PolarHBondContact O-N 2.79Å; Q395-R399 VanDerWaalsContact O-N 3.16Å
396	R	88.8	Confident	88.8	Confident	99 Å²	99	49.5 Å²	49.5	37%	0.374	23%	0.228	S	C	.	.	H	α-helix	trans	-60.7	-48.1	173.5	-68	178	-148.1	124.1	10.4	110.9	P253 E392 E393 M394 R399 W400	P253-R396 HydrophobicContact CB-CG 4.02Å; P253-R396 HydrophobicContact CG-CB 4.39Å; P253-R396 HydrophobicContact CG-CG 3.14Å; E392-R396 WeakPolarHBondContact O-CG 3.14Å; E392-R396 PolarHBondContact O-N 2.84Å; E392-R396 VanDerWaalsContact O-N 3.1Å; E392-R396 IonicContact OE2-NH2 3.78Å; E392-R396 PolarHBondContact OE2-NH2 2.88Å; E393-R396 PolarHBondContact O-N 2.98Å; M394-R396 PolarHBondContact O-N 2.96Å; R396-R399 PolarHBondContact O-N 2.74Å; R396-W400 WeakPolarHBondContact O-CB 3.34Å; R396-W400 PolarHBondContact O-N 3.03Å
397	Q	88.3	Confident	89.4	Confident	9 Å²	9	50.1 Å²	50.1	4%	0.042	23%	0.234	C	C	.	.	H	α-helix	trans	-63.7	-44	-177.7	-167.1	74.7	30.6	0	0	111.4	R366 A367 E393 M394 R399 W400 F401 N436	R366-Q397 HydrophobicContact CB-CG 3.81Å; R366-Q397 VanDerWaalsContact O-CB 3.26Å; R366-Q397 WeakPolarHBondContact O-CB 3.35Å; A367-Q397 HydrophobicContact CB-CB 4.15Å; A367-Q397 HydrophobicContact CB-CG 3.84Å; E393-Q397 WeakPolarHBondContact O-CB 3.31Å; E393-Q397 PolarHBondContact O-N 3.2Å; M394-Q397 PolarHBondContact O-N 2.89Å; Q397-R399 PolarHBondContact O-N 3.49Å; Q397-W400 VanDerWaalsContact NE2-CE3 3.32Å; Q397-W400 PolarHBondContact O-N 3.01Å; Q397-F401 HydrophobicContact CG-CD1 4.45Å; Q397-F401 HydrophobicContact CG-CE1 4.17Å; Q397-F401 HydrophobicContact CG-CE2 4.35Å; Q397-F401 HydrophobicContact CG-CZ 4.09Å; Q397-F401 PolarHBondContact O-N 3.13Å; Q397-N436 PolarHBondContact NE2-O 3.49Å; Q397-N436 PolarHBondContact OE1-O 2.76Å
398	A	93.6	Very high	89.9	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-57.4	-49.5	177.8	0	0	0	0	0	111.6	L341 A367 M394 W400 F401 W402	L341-A398 HydrophobicContact CD2-CB 3.66Å; A367-A398 HydrophobicContact CB-CB 4.46Å; M394-A398 VanDerWaalsContact O-CB 3.27Å; M394-A398 WeakPolarHBondContact O-CB 3.45Å; M394-A398 PolarHBondContact O-N 2.84Å; A398-W400 VanDerWaalsContact C-N 3.34Å; A398-W400 PolarHBondContact O-N 3.15Å; A398-F401 PolarHBondContact O-N 3.23Å; A398-W402 PolarHBondContact O-N 2.86Å
399	R	92.5	Very high	90.5	Very high	70 Å²	70	41.2 Å²	41.2	26%	0.264	19%	0.191	S	C	.	.	H	α-helix	trans	-61.5	-43.3	177.2	-179.3	62.9	-171.3	-161.7	-0.6	111.8	L341 Q342 Q395 R396 Q397 W402 E403	L341-R399 WeakPolarHBondContact O-CA 3.4Å; Q342-R399 WeakPolarHBondContact O-CD 3.01Å; Q342-R399 PolarHBondContact O-NH1 2.76Å; Q395-R399 PolarHBondContact O-N 2.79Å; Q395-R399 VanDerWaalsContact O-N 3.16Å; R396-R399 PolarHBondContact O-N 2.74Å; Q397-R399 PolarHBondContact O-N 3.49Å; R399-W402 WeakPolarHBondContact O-CB 3.26Å; R399-W402 PolarHBondContact O-N 2.74Å; R399-E403 IonicContact CZ-OE1 2.67Å; R399-E403 IonicContact NE-OE1 2.68Å; R399-E403 PolarHBondContact NE-OE1 3.19Å; R399-E403 IonicContact NH2-OE1 3.89Å; R399-E403 PolarHBondContact NH2-OE1 2.93Å; R399-E403 WeakPolarHBondContact O-CG 3.41Å; R399-E403 PolarHBondContact O-N 2.84Å
400	W	91.4	Very high	91.3	Very high	33 Å²	33	38.8 Å²	38.8	13%	0.125	19%	0.185	C	C	.	.	H	α-helix	trans	-66.4	-41.7	179.8	177.6	66.5	0	0	0	113.1	R396 Q397 A398 W402 E403 A404 Y405 W435 N436 P438	R396-W400 WeakPolarHBondContact O-CB 3.34Å; R396-W400 PolarHBondContact O-N 3.03Å; Q397-W400 VanDerWaalsContact NE2-CE3 3.32Å; Q397-W400 PolarHBondContact O-N 3.01Å; A398-W400 VanDerWaalsContact C-N 3.34Å; A398-W400 PolarHBondContact O-N 3.15Å; W400-W402 PolarHBondContact O-N 3.01Å; W400-E403 PolarHBondContact O-N 2.93Å; W400-A404 VanDerWaalsContact O-CB 3.31Å; W400-A404 WeakPolarHBondContact O-CB 3.43Å; W400-A404 PolarHBondContact O-N 3Å; W400-Y405 HydrophobicContact CH2-CE2 4.15Å; W400-Y405 HydrophobicContact CZ3-CE2 4.21Å; W400-W435 VanDerWaalsContact CH2-C 3.49Å; W400-W435 WeakPolarHBondContact CH2-O 3.31Å; W400-W435 VanDerWaalsContact CZ3-O 3.27Å; W400-W435 WeakPolarHBondContact CZ3-O 3.44Å; W400-N436 VanDerWaalsContact CZ3-O 3.31Å; W400-N436 WeakPolarHBondContact CZ3-O 3.42Å; W400-P438 HydrophobicContact CD2-CB 4Å; W400-P438 HydrophobicContact CG-CB 3.86Å
401	F	95.1	Very high	92.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-55.9	-41.7	172.6	-80.6	-3.9	0	0	0	111.3	L362 A367 Q397 A398 Y405 F406	L362-F401 HydrophobicContact CB-CE1 4.41Å; L362-F401 HydrophobicContact CB-CE2 4.19Å; L362-F401 HydrophobicContact CB-CZ 3.99Å; L362-F401 HydrophobicContact CD1-CD1 4.48Å; L362-F401 HydrophobicContact CD1-CD2 4.46Å; L362-F401 HydrophobicContact CD1-CG 4.4Å; L362-F401 HydrophobicContact CD2-CD1 4.4Å; L362-F401 HydrophobicContact CD2-CE1 4.05Å; L362-F401 HydrophobicContact CD2-CZ 4.47Å; A367-F401 HydrophobicContact CB-CD2 3.54Å; A367-F401 HydrophobicContact CB-CE2 3.5Å; A367-F401 HydrophobicContact CB-CZ 4.46Å; Q397-F401 HydrophobicContact CG-CD1 4.45Å; Q397-F401 HydrophobicContact CG-CE1 4.17Å; Q397-F401 HydrophobicContact CG-CE2 4.35Å; Q397-F401 HydrophobicContact CG-CZ 4.09Å; Q397-F401 PolarHBondContact O-N 3.13Å; A398-F401 PolarHBondContact O-N 3.23Å; F401-Y405 HydrophobicContact CD1-CD2 4.32Å; F401-Y405 HydrophobicContact CD1-CE2 4.17Å; F401-Y405 PolarHBondContact O-N 3.35Å; F401-F406 WeakPolarHBondContact O-CD2 3Å
402	W	94.8	Very high	92.7	Very high	33 Å²	33	34.8 Å²	34.8	13%	0.125	17%	0.167	C	C	.	.	I	π-helix	trans	-63.1	-53	176.3	-178.8	82	0	0	0	112.1	L341 Q342 A398 R399 W400 A404 F406 S407	L341-W402 HydrophobicContact CB-CB 3.77Å; L341-W402 HydrophobicContact CB-CG 4.44Å; Q342-W402 HydrophobicContact CB-CD2 3.78Å; Q342-W402 HydrophobicContact CB-CE3 4.42Å; Q342-W402 HydrophobicContact CB-CG 3.93Å; Q342-W402 HydrophobicContact CB-CZ2 4.21Å; Q342-W402 HydrophobicContact CG-CD2 3.81Å; Q342-W402 VanDerWaalsContact CG-CE2 3.49Å; Q342-W402 HydrophobicContact CG-CE3 4.08Å; Q342-W402 HydrophobicContact CG-CG 4.49Å; Q342-W402 HydrophobicContact CG-CH2 3.86Å; Q342-W402 HydrophobicContact CG-CZ2 3.54Å; Q342-W402 HydrophobicContact CG-CZ3 4.12Å; Q342-W402 VanDerWaalsContact NE2-CZ2 3.31Å; A398-W402 PolarHBondContact O-N 2.86Å; R399-W402 WeakPolarHBondContact O-CB 3.26Å; R399-W402 PolarHBondContact O-N 2.74Å; W400-W402 PolarHBondContact O-N 3.01Å; W402-A404 VanDerWaalsContact C-N 3.35Å; W402-A404 PolarHBondContact O-N 2.78Å; W402-F406 HydrophobicContact CG-CB 4.34Å; W402-F406 CarbonylContact O-C 3.52Å; W402-F406 PolarHBondContact O-N 3.13Å; W402-S407 WeakPolarHBondContact O-CB 3.42Å; W402-S407 PolarHBondContact O-N 2.04Å
403	E	92.4	Very high	93.2	Very high	93 Å²	93	31.9 Å²	31.9	44%	0.435	15%	0.154	S	C	.	.	I	π-helix	trans	-58.2	-46.2	-177.5	-70.8	175.8	171.5	0	0	112.1	R399 W400 S407	R399-E403 IonicContact CZ-OE1 2.67Å; R399-E403 IonicContact NE-OE1 2.68Å; R399-E403 PolarHBondContact NE-OE1 3.19Å; R399-E403 IonicContact NH2-OE1 3.89Å; R399-E403 PolarHBondContact NH2-OE1 2.93Å; R399-E403 WeakPolarHBondContact O-CG 3.41Å; R399-E403 PolarHBondContact O-N 2.84Å; W400-E403 PolarHBondContact O-N 2.93Å; E403-S407 PolarHBondContact O-OG 2.89Å
404	A	93.3	Very high	94	Very high	37 Å²	37	31.2 Å²	31.2	31%	0.306	15%	0.152	S	C	.	.	I	π-helix	trans	-75.9	-38	-174.8	0	0	0	0	0	113.4	W400 W402	W400-A404 VanDerWaalsContact O-CB 3.31Å; W400-A404 WeakPolarHBondContact O-CB 3.43Å; W400-A404 PolarHBondContact O-N 3Å; W402-A404 VanDerWaalsContact C-N 3.35Å; W402-A404 PolarHBondContact O-N 2.78Å
405	Y	96.1	Very high	94.5	Very high	11 Å²	11	31.2 Å²	31.2	4%	0.043	15%	0.152	C	C	.	.	I	π-helix	trans	-127.2	-18.8	-164.7	-46.8	-62.5	0	0	0	115.4	L362 W400 F401 T415 W435	L362-Y405 HydrophobicContact CD1-CD2 3.77Å; L362-Y405 HydrophobicContact CD1-CE2 4.37Å; L362-Y405 HydrophobicContact CD1-CG 4.34Å; L362-Y405 HydrophobicContact CD2-CD2 3.66Å; L362-Y405 HydrophobicContact CD2-CE2 3.4Å; L362-Y405 HydrophobicContact CD2-CG 4.44Å; L362-Y405 HydrophobicContact CG-CD2 4.37Å; W400-Y405 HydrophobicContact CH2-CE2 4.15Å; W400-Y405 HydrophobicContact CZ3-CE2 4.21Å; F401-Y405 HydrophobicContact CD1-CD2 4.32Å; F401-Y405 HydrophobicContact CD1-CE2 4.17Å; F401-Y405 PolarHBondContact O-N 3.35Å; Y405-T415 HydrophobicContact CD1-CG2 3.98Å; Y405-W435 HydrophobicContact CD1-CE3 4.45Å; Y405-W435 HydrophobicContact CD1-CZ3 4.09Å; Y405-W435 AromaticContact CE1-CE3 3.61Å; Y405-W435 HydrophobicContact CE1-CE3 3.61Å; Y405-W435 AromaticContact CE1-CZ3 3.53Å; Y405-W435 HydrophobicContact CE1-CZ3 3.53Å; Y405-W435 AromaticContact CZ-CE3 3.76Å; Y405-W435 WeakPolarHBondContact OH-CA 3.4Å; Y405-W435 PolarHBondContact OH-O 2.72Å
406	F	95.2	Very high	94.8	Very high	1 Å²	1	31 Å²	31	0%	0.004	15%	0.151	C	C	.	.	I	π-helix	trans	-117.3	-17.3	-172	-65.8	-134.3	0	0	0	113.3	P237 L341 P357 F358 L362 W364 F401 W402 S408	P237-F406 HydrophobicContact CB-CD1 3.29Å; P237-F406 HydrophobicContact CB-CE1 3.34Å; P237-F406 HydrophobicContact CB-CG 4.03Å; P237-F406 HydrophobicContact CB-CZ 4.06Å; P237-F406 HydrophobicContact CG-CB 4.4Å; P237-F406 HydrophobicContact CG-CD1 3.66Å; P237-F406 HydrophobicContact CG-CD2 4.33Å; P237-F406 HydrophobicContact CG-CE1 3.94Å; P237-F406 HydrophobicContact CG-CG 3.86Å; P237-F406 HydrophobicContact CG-CZ 4.34Å; L341-F406 HydrophobicContact CD1-CD1 3.85Å; L341-F406 HydrophobicContact CD1-CE1 3.55Å; L341-F406 HydrophobicContact CD1-CE2 4.43Å; L341-F406 HydrophobicContact CD1-CG 4.39Å; L341-F406 HydrophobicContact CD1-CZ 3.9Å; P357-F406 HydrophobicContact CB-CE1 4.07Å; P357-F406 HydrophobicContact CB-CZ 3.66Å; P357-F406 HydrophobicContact CG-CE1 4.09Å; P357-F406 HydrophobicContact CG-CZ 4.12Å; F358-F406 HydrophobicContact CD2-CE2 4.07Å; F358-F406 HydrophobicContact CE2-CE2 4.39Å; L362-F406 HydrophobicContact CD1-CE2 4.04Å; W364-F406 HydrophobicContact CH2-CE1 4.12Å; W364-F406 AromaticContact CH2-CZ 3.68Å; W364-F406 HydrophobicContact CH2-CZ 3.68Å; W364-F406 HydrophobicContact CZ2-CE1 4.45Å; W364-F406 AromaticContact CZ2-CZ 3.68Å; W364-F406 HydrophobicContact CZ2-CZ 3.68Å; F401-F406 WeakPolarHBondContact O-CD2 3Å; W402-F406 HydrophobicContact CG-CB 4.34Å; W402-F406 CarbonylContact O-C 3.52Å; W402-F406 PolarHBondContact O-N 3.13Å; F406-S408 PolarHBondContact O-N 2.57Å
407	S	92.9	Very high	95.2	Very high	37 Å²	37	26.3 Å²	26.3	26%	0.259	13%	0.134	S	C	.	.	S	Bend	trans	-58.6	-21.9	-166.8	55.9	0	0	0	0	115.2	W402 E403	W402-S407 WeakPolarHBondContact O-CB 3.42Å; W402-S407 PolarHBondContact O-N 2.04Å; E403-S407 PolarHBondContact O-OG 2.89Å
408	S	95.3	Very high	95.7	Very high	39 Å²	39	26.9 Å²	26.9	27%	0.273	14%	0.137	S	C	.	.	S	Bend	trans	-158.7	164.1	-180	59.7	0	0	0	0	112.1	F406 K410 A411 I412	F406-S408 PolarHBondContact O-N 2.57Å; S408-K410 PolarHBondContact O-N 3.17Å; S408-A411 PolarHBondContact O-N 3.41Å; S408-A411 PolarHBondContact OG-N 3.41Å; S408-A411 VanDerWaalsContact OG-N 3.13Å; S408-I412 WeakPolarHBondContact O-CG1 3.48Å; S408-I412 PolarHBondContact O-N 2.83Å
409	M	95.4	Very high	95.8	Very high	4 Å²	4	27 Å²	27	2%	0.02	14%	0.137	C	C	.	.	H	α-helix	trans	-55.9	-33.4	169.7	-68.1	-56.3	-58.7	0	0	112.6	E135 D138 L139 L166 M197 Y239 I412 G413	E135-M409 HydrophobicContact CB-CG 4.08Å; E135-M409 HydrophobicContact CB-SD 4.23Å; E135-M409 WeakPolarHBondContact O-CG 3.27Å; D138-M409 HydrophobicContact CB-CB 4.29Å; L139-M409 HydrophobicContact CB-CB 4.35Å; L139-M409 HydrophobicContact CB-CE 3.88Å; L139-M409 HydrophobicContact CD1-CE 4.35Å; L139-M409 WeakPolarHBondContact CD1-O 3.26Å; L139-M409 HydrophobicContact CD2-CE 4.13Å; L139-M409 HydrophobicContact CG-CE 4.35Å; L166-M409 HydrophobicContact CD1-CE 4.09Å; L166-M409 HydrophobicContact CD2-CE 4.34Å; M197-M409 HydrophobicContact CE-CE 3.56Å; M197-M409 HydrophobicContact CE-SD 3.5Å; M197-M409 WeakPolarHBondContact CE-SD 3.22Å; M197-M409 HydrophobicContact SD-CE 4.49Å; M197-M409 HydrophobicContact SD-SD 4.23Å; Y239-M409 HydrophobicContact CD1-CG 4.05Å; Y239-M409 HydrophobicContact CD1-SD 3.82Å; Y239-M409 HydrophobicContact CD2-SD 4.49Å; Y239-M409 HydrophobicContact CE1-CG 4.19Å; Y239-M409 HydrophobicContact CG-CG 4.34Å; Y239-M409 HydrophobicContact CG-SD 3.78Å; M409-I412 HydrophobicContact SD-CD1 4.39Å; M409-G413 PolarHBondContact O-N 3.4Å
410	K	96.4	Very high	96	Very high	118 Å²	118	23.7 Å²	23.7	51%	0.513	13%	0.125	S	C	.	.	H	α-helix	trans	-61.5	-50.8	172	174.1	171	-176.2	175.2	0	111.8	A142 S408 I412 G413 L414	A142-K410 HydrophobicContact CB-CB 3.61Å; A142-K410 HydrophobicContact CB-CD 4.36Å; A142-K410 HydrophobicContact CB-CG 3.77Å; S408-K410 PolarHBondContact O-N 3.17Å; K410-I412 VanDerWaalsContact C-N 3.32Å; K410-I412 PolarHBondContact O-N 2.96Å; K410-G413 PolarHBondContact O-N 3.38Å; K410-L414 HydrophobicContact CG-CD1 3.85Å; K410-L414 HydrophobicContact CG-CG 4.38Å; K410-L414 WeakPolarHBondContact O-CB 3.28Å; K410-L414 VanDerWaalsContact O-CG 3.29Å; K410-L414 WeakPolarHBondContact O-CG 3.49Å; K410-L414 PolarHBondContact O-N 3.41Å
411	A	96.8	Very high	96.2	Very high	13 Å²	13	22.4 Å²	22.4	11%	0.107	12%	0.12	C	C	.	.	H	α-helix	trans	-60.2	-44.7	179.4	0	0	0	0	0	111.1	S408 T415	S408-A411 PolarHBondContact O-N 3.41Å; S408-A411 PolarHBondContact OG-N 3.41Å; S408-A411 VanDerWaalsContact OG-N 3.13Å; A411-T415 WeakPolarHBondContact O-CB 3.17Å; A411-T415 PolarHBondContact O-N 2.89Å; A411-T415 PolarHBondContact O-OG1 2.79Å
412	I	98.2	Very high	96	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-62	-53.5	178.6	-64.7	166.6	0	0	0	110.7	M197 I236 P237 Y239 F358 S408 M409 K410 L414 T415 T416	M197-I412 HydrophobicContact CE-CD1 3.87Å; M197-I412 HydrophobicContact CE-CG2 4.13Å; I236-I412 HydrophobicContact CB-CG2 4.16Å; I236-I412 HydrophobicContact CG2-CG2 4.42Å; P237-I412 HydrophobicContact CG-CD1 3.71Å; P237-I412 HydrophobicContact CG-CG1 3.65Å; P237-I412 HydrophobicContact CG-CG2 4.47Å; Y239-I412 HydrophobicContact CD2-CD1 4.24Å; Y239-I412 HydrophobicContact CG-CD1 4.49Å; F358-I412 HydrophobicContact CZ-CG2 4.2Å; S408-I412 WeakPolarHBondContact O-CG1 3.48Å; S408-I412 PolarHBondContact O-N 2.83Å; M409-I412 HydrophobicContact SD-CD1 4.39Å; K410-I412 VanDerWaalsContact C-N 3.32Å; K410-I412 PolarHBondContact O-N 2.96Å; I412-L414 PolarHBondContact O-N 2.95Å; I412-T415 PolarHBondContact O-N 2.77Å; I412-T416 PolarHBondContact O-N 3.46Å; I412-T416 PolarHBondContact O-OG1 3.43Å; I412-T416 VanDerWaalsContact O-OG1 3.08Å
413	G	98.1	Very high	95.7	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-61	-47	-177.5	0	0	0	0	0	113.6	L139 M409 K410 T415 T416 L417	L139-G413 VanDerWaalsContact CD1-CA 3.4Å; M409-G413 PolarHBondContact O-N 3.4Å; K410-G413 PolarHBondContact O-N 3.38Å; G413-T415 VanDerWaalsContact C-N 3.34Å; G413-T415 PolarHBondContact O-N 3.45Å; G413-T416 WeakPolarHBondContact O-CB 3.47Å; G413-T416 PolarHBondContact O-N 3.41Å; G413-L417 WeakPolarHBondContact O-CG 3.39Å; G413-L417 PolarHBondContact O-N 3.49Å
414	L	98.3	Very high	95.6	Very high	44 Å²	44	20.3 Å²	20.3	23%	0.23	11%	0.11	C	C	.	.	H	α-helix	trans	-69.3	-32.7	179.4	-62.8	-177.2	0	0	0	112.2	F148 K410 I412 L417 Q418	F148-L414 HydrophobicContact CD2-CD2 4.19Å; K410-L414 HydrophobicContact CG-CD1 3.85Å; K410-L414 HydrophobicContact CG-CG 4.38Å; K410-L414 WeakPolarHBondContact O-CB 3.28Å; K410-L414 VanDerWaalsContact O-CG 3.29Å; K410-L414 WeakPolarHBondContact O-CG 3.49Å; K410-L414 PolarHBondContact O-N 3.41Å; I412-L414 PolarHBondContact O-N 2.95Å; L414-L417 PolarHBondContact O-N 3.49Å; L414-Q418 WeakPolarHBondContact O-CB 3.47Å; L414-Q418 PolarHBondContact O-N 3.09Å
415	T	98.4	Very high	95.3	Very high	10 Å²	10	19.1 Å²	19.1	6%	0.061	10%	0.098	C	C	.	.	H	α-helix	trans	-65.3	-45.7	173.3	-60.5	0	0	0	0	110.9	F358 Y405 A411 I412 G413 L417 Q418 I419 W435	F358-T415 HydrophobicContact CD1-CG2 3.91Å; F358-T415 HydrophobicContact CD2-CG2 3.99Å; F358-T415 HydrophobicContact CE1-CG2 3.74Å; F358-T415 HydrophobicContact CE2-CG2 3.84Å; F358-T415 HydrophobicContact CG-CG2 4.01Å; F358-T415 HydrophobicContact CZ-CG2 3.71Å; Y405-T415 HydrophobicContact CD1-CG2 3.98Å; A411-T415 WeakPolarHBondContact O-CB 3.17Å; A411-T415 PolarHBondContact O-N 2.89Å; A411-T415 PolarHBondContact O-OG1 2.79Å; I412-T415 PolarHBondContact O-N 2.77Å; G413-T415 VanDerWaalsContact C-N 3.34Å; G413-T415 PolarHBondContact O-N 3.45Å; T415-L417 VanDerWaalsContact C-N 3.35Å; T415-L417 PolarHBondContact O-N 2.89Å; T415-Q418 PolarHBondContact O-N 3.36Å; T415-I419 HydrophobicContact CG2-CD1 4.1Å; T415-I419 WeakPolarHBondContact O-CG1 3.49Å; T415-I419 PolarHBondContact O-N 3.48Å; T415-W435 HydrophobicContact CG2-CH2 4.15Å; T415-W435 HydrophobicContact CG2-CZ3 3.88Å
416	T	98.6	Very high	94.4	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-56.1	-47.4	173.9	-61	0	0	0	0	111.9	L193 F195 A219 V234 I236 I412 G413 I419 I420	L193-T416 HydrophobicContact CD2-CG2 4.11Å; F195-T416 HydrophobicContact CE1-CG2 3.84Å; F195-T416 HydrophobicContact CZ-CG2 3.92Å; A219-T416 HydrophobicContact CB-CG2 3.88Å; V234-T416 HydrophobicContact CB-CG2 4.11Å; V234-T416 HydrophobicContact CG1-CG2 4.08Å; V234-T416 HydrophobicContact CG2-CG2 4.17Å; I236-T416 WeakPolarHBondContact CG2-OG1 3.39Å; I412-T416 PolarHBondContact O-N 3.46Å; I412-T416 PolarHBondContact O-OG1 3.43Å; I412-T416 VanDerWaalsContact O-OG1 3.08Å; G413-T416 WeakPolarHBondContact O-CB 3.47Å; G413-T416 PolarHBondContact O-N 3.41Å; T416-I419 PolarHBondContact O-N 3.15Å; T416-I420 HydrophobicContact CG2-CD1 4.22Å; T416-I420 WeakPolarHBondContact O-CG1 3.28Å; T416-I420 PolarHBondContact O-N 3.15Å; T416-I420 VanDerWaalsContact O-N 3.13Å
417	L	98.3	Very high	93.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-66.2	-38.2	179	-68.4	-178.9	0	0	0	112.4	V111 I143 F148 L158 L193 G413 L414 T415 I420 N421	V111-L417 HydrophobicContact CG2-CD1 4.18Å; V111-L417 HydrophobicContact CG2-CD2 3.94Å; I143-L417 HydrophobicContact CB-CD1 4.47Å; I143-L417 HydrophobicContact CD1-CD1 4.2Å; I143-L417 HydrophobicContact CG1-CD1 3.91Å; I143-L417 HydrophobicContact CG2-CD1 3.88Å; F148-L417 HydrophobicContact CB-CD1 3.96Å; F148-L417 HydrophobicContact CD1-CB 4.38Å; F148-L417 HydrophobicContact CD2-CB 4.07Å; F148-L417 HydrophobicContact CD2-CD1 3.97Å; F148-L417 HydrophobicContact CE1-CB 4.34Å; F148-L417 HydrophobicContact CE2-CB 4.03Å; F148-L417 HydrophobicContact CG-CB 4.24Å; F148-L417 HydrophobicContact CG-CD1 4Å; F148-L417 HydrophobicContact CZ-CB 4.16Å; L158-L417 HydrophobicContact CD1-CD2 3.98Å; L193-L417 HydrophobicContact CD2-CD2 4Å; G413-L417 WeakPolarHBondContact O-CG 3.39Å; G413-L417 PolarHBondContact O-N 3.49Å; L414-L417 PolarHBondContact O-N 3.49Å; T415-L417 VanDerWaalsContact C-N 3.35Å; T415-L417 PolarHBondContact O-N 2.89Å; L417-I420 PolarHBondContact O-N 2.97Å; L417-N421 VanDerWaalsContact O-CB 3.31Å; L417-N421 WeakPolarHBondContact O-CB 3.28Å; L417-N421 PolarHBondContact O-N 2.92Å
418	Q	97.7	Very high	93	Very high	22 Å²	22	30.4 Å²	30.4	10%	0.103	16%	0.157	C	C	.	.	H	α-helix	trans	-63.7	-42.4	175.7	-177.7	70.7	58.9	0	0	111.8	L414 T415 I420 N421 D422 W435	L414-Q418 WeakPolarHBondContact O-CB 3.47Å; L414-Q418 PolarHBondContact O-N 3.09Å; T415-Q418 PolarHBondContact O-N 3.36Å; Q418-I420 VanDerWaalsContact C-N 3.35Å; Q418-I420 PolarHBondContact O-N 3.18Å; Q418-N421 VanDerWaalsContact O-CB 3.32Å; Q418-N421 WeakPolarHBondContact O-CB 3.26Å; Q418-N421 PolarHBondContact O-N 3.27Å; Q418-D422 PolarHBondContact NE2-OD1 3.07Å; Q418-D422 WeakPolarHBondContact O-CB 3.19Å; Q418-D422 VanDerWaalsContact O-CG 3.24Å; Q418-D422 PolarHBondContact O-N 3.34Å; Q418-W435 HydrophobicContact CB-CH2 3.97Å; Q418-W435 HydrophobicContact CB-CZ2 4.35Å; Q418-W435 HydrophobicContact CG-CH2 3.6Å; Q418-W435 HydrophobicContact CG-CZ2 3.62Å
419	I	97.3	Very high	92.4	Very high	3 Å²	3	30.1 Å²	30.1	2%	0.015	16%	0.157	C	C	.	.	H	α-helix	trans	-58.9	-47.5	175.4	-74.6	169.1	0	0	0	110.6	V234 F358 E360 V361 T415 T416 N421 D422 R423 W435	V234-I419 HydrophobicContact CG1-CD1 4.09Å; V234-I419 HydrophobicContact CG1-CG2 4.45Å; V234-I419 HydrophobicContact CG2-CG2 4.17Å; F358-I419 HydrophobicContact CB-CD1 4.15Å; F358-I419 HydrophobicContact CD1-CD1 3.42Å; F358-I419 VanDerWaalsContact CD1-CD1 3.42Å; F358-I419 HydrophobicContact CE1-CD1 4.12Å; F358-I419 HydrophobicContact CG-CD1 4.11Å; E360-I419 HydrophobicContact CG-CD1 4.47Å; E360-I419 HydrophobicContact CG-CG2 4.18Å; E360-I419 WeakPolarHBondContact OE1-CG2 3.28Å; E360-I419 WeakPolarHBondContact OE2-CG2 3.38Å; V361-I419 HydrophobicContact CG1-CG1 4.24Å; V361-I419 HydrophobicContact CG2-CD1 3.64Å; V361-I419 HydrophobicContact CG2-CG1 3.84Å; T415-I419 HydrophobicContact CG2-CD1 4.1Å; T415-I419 WeakPolarHBondContact O-CG1 3.49Å; T415-I419 PolarHBondContact O-N 3.48Å; T416-I419 PolarHBondContact O-N 3.15Å; I419-N421 VanDerWaalsContact C-N 3.29Å; I419-N421 PolarHBondContact O-N 2.99Å; I419-D422 PolarHBondContact O-N 2.89Å; I419-R423 WeakPolarHBondContact O-CG 3.22Å; I419-R423 PolarHBondContact O-N 2.83Å; I419-R423 VanDerWaalsContact O-N 3.14Å; I419-W435 HydrophobicContact CG1-CH2 4.13Å; I419-W435 HydrophobicContact CG1-CZ2 4.17Å
420	I	96.8	Very high	91.7	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-64.7	-37.6	178.1	-62	166.7	0	0	0	110.7	I109 L158 L193 L217 V234 T416 L417 Q418 R423 I424	I109-I420 HydrophobicContact CD1-CB 4.4Å; I109-I420 HydrophobicContact CD1-CG2 4.15Å; L158-I420 HydrophobicContact CD1-CD1 4.17Å; L158-I420 HydrophobicContact CD1-CG2 3.97Å; L193-I420 HydrophobicContact CD1-CD1 4.11Å; L193-I420 HydrophobicContact CD2-CD1 3.8Å; L217-I420 HydrophobicContact CD2-CD1 4.28Å; V234-I420 HydrophobicContact CG2-CD1 4.24Å; V234-I420 HydrophobicContact CG2-CG1 3.96Å; T416-I420 HydrophobicContact CG2-CD1 4.22Å; T416-I420 WeakPolarHBondContact O-CG1 3.28Å; T416-I420 PolarHBondContact O-N 3.15Å; T416-I420 VanDerWaalsContact O-N 3.13Å; L417-I420 PolarHBondContact O-N 2.97Å; Q418-I420 VanDerWaalsContact C-N 3.35Å; Q418-I420 PolarHBondContact O-N 3.18Å; I420-R423 WeakPolarHBondContact O-CB 3.44Å; I420-R423 PolarHBondContact O-N 3.42Å; I420-I424 HydrophobicContact CG2-CD1 3.93Å; I420-I424 WeakPolarHBondContact O-CG1 3.32Å; I420-I424 PolarHBondContact O-N 3.31Å
421	N	95.3	Very high	90.7	Very high	5 Å²	5	32.1 Å²	32.1	3%	0.027	17%	0.169	C	C	.	.	H	α-helix	trans	-59.7	-46.1	174.6	-172.7	82.2	0	0	0	112.2	N107 K108 I109 F148 L417 Q418 I419 R423 I424 Y425	N107-N421 PolarHBondContact O-ND2 3.02Å; N107-N421 PolarHBondContact O-OD1 3.17Å; K108-N421 WeakPolarHBondContact CA-OD1 3.18Å; I109-N421 HydrophobicContact CD1-CB 4.28Å; I109-N421 HydrophobicContact CG1-CB 4.22Å; I109-N421 PolarHBondContact N-OD1 2.83Å; F148-N421 HydrophobicContact CE1-CB 4.08Å; L417-N421 VanDerWaalsContact O-CB 3.31Å; L417-N421 WeakPolarHBondContact O-CB 3.28Å; L417-N421 PolarHBondContact O-N 2.92Å; Q418-N421 VanDerWaalsContact O-CB 3.32Å; Q418-N421 WeakPolarHBondContact O-CB 3.26Å; Q418-N421 PolarHBondContact O-N 3.27Å; I419-N421 VanDerWaalsContact C-N 3.29Å; I419-N421 PolarHBondContact O-N 2.99Å; N421-R423 VanDerWaalsContact C-N 3.26Å; N421-R423 PolarHBondContact O-N 3.26Å; N421-I424 PolarHBondContact O-N 2.85Å; N421-Y425 PolarHBondContact O-N 2.87Å
422	D	91.4	Very high	89.7	Confident	15 Å²	15	33.9 Å²	33.9	8%	0.08	17%	0.173	C	C	.	.	H	α-helix	trans	-63.9	-33.1	-179.8	-72	1.5	0	0	0	111.5	Q418 I419 Y425 P426 A429 R430 W435	Q418-D422 PolarHBondContact NE2-OD1 3.07Å; Q418-D422 WeakPolarHBondContact O-CB 3.19Å; Q418-D422 VanDerWaalsContact O-CG 3.24Å; Q418-D422 PolarHBondContact O-N 3.34Å; I419-D422 PolarHBondContact O-N 2.89Å; D422-Y425 CarbonylContact O-C 3.57Å; D422-P426 WeakPolarHBondContact O-CA 3.45Å; D422-A429 HydrophobicContact CB-CB 3.66Å; D422-R430 PolarHBondContact OD2-N 2.87Å; D422-R430 VanDerWaalsContact OD2-N 3.13Å; D422-W435 PolarHBondContact OD2-NE1 3.31Å
423	R	87.8	Confident	88.5	Confident	48 Å²	48	38 Å²	38	18%	0.181	19%	0.192	C	C	.	.	H	α-helix	trans	-66.1	-35.5	172	-65.1	171.9	-173.2	178.1	-1.1	112.7	M92 G231 Y232 D233 E360 I419 I420 N421	M92-R423 HydrophobicContact CE-CB 4.43Å; G231-R423 PolarHBondContact O-NH1 3.21Å; Y232-R423 VanDerWaalsContact C-NH1 3.33Å; Y232-R423 PolarHBondContact O-NH1 3.19Å; D233-R423 PolarHBondContact O-NH2 3.47Å; E360-R423 IonicContact OE1-CZ 3.82Å; E360-R423 IonicContact OE1-NH2 3.08Å; E360-R423 PolarHBondContact OE1-NH2 3.48Å; E360-R423 IonicContact OE2-CZ 3.46Å; E360-R423 VanDerWaalsContact OE2-CZ 3.28Å; E360-R423 IonicContact OE2-NE 2.93Å; E360-R423 PolarHBondContact OE2-NE 2.84Å; E360-R423 IonicContact OE2-NH2 3.71Å; E360-R423 PolarHBondContact OE2-NH2 2.85Å; I419-R423 WeakPolarHBondContact O-CG 3.22Å; I419-R423 PolarHBondContact O-N 2.83Å; I419-R423 VanDerWaalsContact O-N 3.14Å; I420-R423 WeakPolarHBondContact O-CB 3.44Å; I420-R423 PolarHBondContact O-N 3.42Å; N421-R423 VanDerWaalsContact C-N 3.26Å; N421-R423 PolarHBondContact O-N 3.26Å
424	I	89.9	Confident	87.6	Confident	19 Å²	19	43.4 Å²	43.4	10%	0.097	22%	0.217	C	C	.	.	H	α-helix	trans	-83.1	-34.5	-177.6	-69.1	163.1	0	0	0	111.8	M92 F96 C101 I109 I420 N421 P426	M92-I424 HydrophobicContact CE-CD1 3.9Å; M92-I424 HydrophobicContact CE-CG1 3.52Å; F96-I424 HydrophobicContact CE1-CD1 3.87Å; F96-I424 HydrophobicContact CE1-CG1 4.25Å; F96-I424 HydrophobicContact CZ-CD1 3.84Å; C101-I424 HydrophobicContact CB-CD1 4.29Å; C101-I424 HydrophobicContact CB-CG2 3.82Å; I109-I424 HydrophobicContact CG2-CB 4.19Å; I109-I424 HydrophobicContact CG2-CD1 3.56Å; I109-I424 HydrophobicContact CG2-CG1 4.48Å; I109-I424 HydrophobicContact CG2-CG2 4.11Å; I420-I424 HydrophobicContact CG2-CD1 3.93Å; I420-I424 WeakPolarHBondContact O-CG1 3.32Å; I420-I424 PolarHBondContact O-N 3.31Å; N421-I424 PolarHBondContact O-N 2.85Å; I424-P426 VanDerWaalsContact O-CD 3.32Å; I424-P426 WeakPolarHBondContact O-CD 3.12Å
425	Y	86.3	Confident	86.9	Confident	13 Å²	13	41.5 Å²	41.5	5%	0.051	21%	0.207	C	C	.	.			trans	-119.1	68.5	177.7	-57.8	-73.2	0	0	0	111.9	C101 G102 N107 I109 N421 D422 Y427 A428 A429	C101-Y425 PolarHBondContact O-OH 3.3Å; G102-Y425 PolarHBondContact O-OH 2.96Å; N107-Y425 VanDerWaalsContact C-CD2 3.49Å; N107-Y425 HydrophobicContact CB-CD1 4.25Å; N107-Y425 HydrophobicContact CB-CD2 4.48Å; N107-Y425 HydrophobicContact CB-CG 4.09Å; N107-Y425 VanDerWaalsContact O-CD2 3.22Å; N107-Y425 WeakPolarHBondContact O-CD2 3.49Å; I109-Y425 HydrophobicContact CG2-CD2 4.32Å; I109-Y425 HydrophobicContact CG2-CE2 3.68Å; N421-Y425 PolarHBondContact O-N 2.87Å; D422-Y425 CarbonylContact O-C 3.57Å; Y425-Y427 HydrophobicContact CD1-CE1 4.03Å; Y425-Y427 PolarHBondContact O-N 2.79Å; Y425-Y427 VanDerWaalsContact O-N 3.09Å; Y425-A428 CarbonylContact O-C 3.43Å; Y425-A428 PolarHBondContact O-N 3.01Å; Y425-A429 PolarHBondContact O-N 3.27Å; Y425-A429 VanDerWaalsContact O-N 3.1Å
426	P	78.8	Confident	86	Confident	93 Å²	93	41 Å²	41	60%	0.604	20%	0.204	S	C	*	.	G	3₁₀ helix	trans	-57.6	-30.7	-174	-26.7	34.8	0	0	0	114.9	D422 I424 A428 A429	D422-P426 WeakPolarHBondContact O-CA 3.45Å; I424-P426 VanDerWaalsContact O-CD 3.32Å; I424-P426 WeakPolarHBondContact O-CD 3.12Å; P426-A428 VanDerWaalsContact C-N 3.27Å; P426-A428 PolarHBondContact O-N 2.83Å; P426-A429 WeakPolarHBondContact O-CB 3.23Å; P426-A429 PolarHBondContact O-N 2.81Å
427	Y	77.8	Confident	85	Confident	150 Å²	150	42.8 Å²	42.8	59%	0.588	21%	0.214	S	C	*	.	G	3₁₀ helix	trans	-72.3	-19.1	179.5	63.6	-89.7	0	0	0	113.7	N107 Y425	N107-Y427 HydrophobicContact CB-CE2 4.46Å; N107-Y427 VanDerWaalsContact CG-OH 3.28Å; N107-Y427 WeakPolarHBondContact ND2-CE2 3.46Å; N107-Y427 PolarHBondContact OD1-OH 3.04Å; Y425-Y427 HydrophobicContact CD1-CE1 4.03Å; Y425-Y427 PolarHBondContact O-N 2.79Å; Y425-Y427 VanDerWaalsContact O-N 3.09Å
428	A	80.8	Confident	83.7	Confident	43 Å²	43	43.9 Å²	43.9	36%	0.355	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-114.5	9.9	176.9	0	0	0	0	0	111.8	N107 Y425 P426	N107-A428 HydrophobicContact CB-CB 3.81Å; Y425-A428 CarbonylContact O-C 3.43Å; Y425-A428 PolarHBondContact O-N 3.01Å; P426-A428 VanDerWaalsContact C-N 3.27Å; P426-A428 PolarHBondContact O-N 2.83Å
429	A	81.1	Confident	81.9	Confident	32 Å²	32	48.3 Å²	48.3	26%	0.264	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-63.9	150.2	179.3	0	0	0	0	0	111	D422 Y425 P426 T431	D422-A429 HydrophobicContact CB-CB 3.66Å; Y425-A429 PolarHBondContact O-N 3.27Å; Y425-A429 VanDerWaalsContact O-N 3.1Å; P426-A429 WeakPolarHBondContact O-CB 3.23Å; P426-A429 PolarHBondContact O-N 2.81Å; A429-T431 PolarHBondContact O-N 3.46Å
430	R	81.9	Confident	79.9	Confident	99 Å²	99	54.7 Å²	54.7	37%	0.374	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-65.5	137.4	173.8	-72	-178.5	-171.6	-173.9	6.6	110.2	D422 Q434 W435	D422-R430 PolarHBondContact OD2-N 2.87Å; D422-R430 VanDerWaalsContact OD2-N 3.13Å; R430-Q434 HydrophobicContact CB-CB 4.21Å; R430-W435 HydrophobicContact CB-CZ2 4.35Å; R430-W435 VanDerWaalsContact CB-NE1 3.31Å
431	T	76	Confident	77.5	Confident	66 Å²	66	57.5 Å²	57.5	41%	0.405	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-71.3	161.9	176.3	79.2	0	0	0	0	110.6	A429 E433 Q434 W435	A429-T431 PolarHBondContact O-N 3.46Å; T431-E433 VanDerWaalsContact CB-OE2 3.27Å; T431-E433 WeakPolarHBondContact CB-OE2 3.35Å; T431-E433 PolarHBondContact O-N 3.01Å; T431-E433 PolarHBondContact OG1-N 2.82Å; T431-E433 PolarHBondContact OG1-OE2 2.63Å; T431-Q434 WeakPolarHBondContact O-CB 3.47Å; T431-Q434 PolarHBondContact O-N 2.85Å; T431-Q434 VanDerWaalsContact O-N 3.07Å; T431-Q434 PolarHBondContact OG1-N 3.27Å; T431-W435 PolarHBondContact O-N 3.18Å
432	Y	74.8	Confident	74.7	Confident	49 Å²	49	66.8 Å²	66.8	19%	0.192	35%	0.347	C	S	.	.	H	α-helix	trans	-52.5	-41.2	174.7	169.4	-87.5	0	0	0	112	D363 R366 Q434 W435 N436 L452 L454	D363-Y432 HydrophobicContact CB-CE2 3.91Å; D363-Y432 PolarHBondContact OD2-OH 2.88Å; R366-Y432 WeakPolarHBondContact CD-OH 3.37Å; Y432-Q434 VanDerWaalsContact C-N 3.33Å; Y432-Q434 PolarHBondContact O-N 3.37Å; Y432-W435 PolarHBondContact O-N 3.36Å; Y432-N436 HydrophobicContact CD1-CB 4.5Å; Y432-N436 WeakPolarHBondContact CD2-ND2 3.43Å; Y432-N436 HydrophobicContact CE1-CB 3.99Å; Y432-N436 HydrophobicContact CE2-CB 4.28Å; Y432-N436 WeakPolarHBondContact CE2-ND2 3.37Å; Y432-N436 WeakPolarHBondContact O-CB 3.41Å; Y432-N436 PolarHBondContact O-N 3.26Å; Y432-N436 PolarHBondContact O-ND2 3.07Å; Y432-L452 HydrophobicContact CE1-CD1 4.18Å; Y432-L452 HydrophobicContact CE1-CD2 3.86Å; Y432-L452 HydrophobicContact CE1-CG 4.47Å; Y432-L454 HydrophobicContact CD2-CD2 3.86Å; Y432-L454 HydrophobicContact CE2-CD2 3.9Å; Y432-L454 HydrophobicContact CG-CD2 4.24Å
433	E	73.3	Confident	72.3	Confident	86 Å²	86	70.1 Å²	70.1	40%	0.402	36%	0.359	S	S	.	.	H	α-helix	trans	-64.8	-37.6	179.8	-61.4	69.9	-148.6	0	0	111.6	T431 W435 N436 N437	T431-E433 VanDerWaalsContact CB-OE2 3.27Å; T431-E433 WeakPolarHBondContact CB-OE2 3.35Å; T431-E433 PolarHBondContact O-N 3.01Å; T431-E433 PolarHBondContact OG1-N 2.82Å; T431-E433 PolarHBondContact OG1-OE2 2.63Å; E433-W435 VanDerWaalsContact C-N 3.27Å; E433-W435 PolarHBondContact O-N 2.76Å; E433-N436 PolarHBondContact O-N 3.18Å; E433-N437 WeakPolarHBondContact CB-ND2 3.37Å; E433-N437 WeakPolarHBondContact O-CA 3.39Å; E433-N437 WeakPolarHBondContact O-CB 3.26Å; E433-N437 PolarHBondContact O-N 3.25Å
434	Q	80	Confident	70	Confident	114 Å²	114	74 Å²	74	53%	0.533	39%	0.393	S	S	.	.	H	α-helix	trans	-67.3	-31.5	177.4	-67.3	175.5	-36.5	0	0	111.8	R430 T431 Y432	R430-Q434 HydrophobicContact CB-CB 4.21Å; T431-Q434 WeakPolarHBondContact O-CB 3.47Å; T431-Q434 PolarHBondContact O-N 2.85Å; T431-Q434 VanDerWaalsContact O-N 3.07Å; T431-Q434 PolarHBondContact OG1-N 3.27Å; Y432-Q434 VanDerWaalsContact C-N 3.33Å; Y432-Q434 PolarHBondContact O-N 3.37Å
435	W	82.6	Confident	67.7	Low	5 Å²	5	76.5 Å²	76.5	2%	0.019	41%	0.413	C	S	.	.	H	α-helix	trans	-80.5	-29	174.9	-75.3	117.5	0	0	0	114	V361 L362 W400 Y405 T415 Q418 I419 D422 R430 T431 Y432 E433	V361-W435 HydrophobicContact CB-CB 4.37Å; V361-W435 HydrophobicContact CB-CD2 3.86Å; V361-W435 HydrophobicContact CB-CE3 4.45Å; V361-W435 HydrophobicContact CB-CG 3.82Å; V361-W435 HydrophobicContact CG1-CD2 4.26Å; V361-W435 HydrophobicContact CG1-CG 4.29Å; V361-W435 HydrophobicContact CG1-CZ2 4.35Å; V361-W435 HydrophobicContact CG2-CD2 4.04Å; V361-W435 HydrophobicContact CG2-CE3 4.15Å; V361-W435 HydrophobicContact CG2-CG 4.47Å; V361-W435 HydrophobicContact CG2-CZ3 4.45Å; L362-W435 HydrophobicContact CD2-CE3 4.46Å; W400-W435 VanDerWaalsContact CH2-C 3.49Å; W400-W435 WeakPolarHBondContact CH2-O 3.31Å; W400-W435 VanDerWaalsContact CZ3-O 3.27Å; W400-W435 WeakPolarHBondContact CZ3-O 3.44Å; Y405-W435 HydrophobicContact CD1-CE3 4.45Å; Y405-W435 HydrophobicContact CD1-CZ3 4.09Å; Y405-W435 AromaticContact CE1-CE3 3.61Å; Y405-W435 HydrophobicContact CE1-CE3 3.61Å; Y405-W435 AromaticContact CE1-CZ3 3.53Å; Y405-W435 HydrophobicContact CE1-CZ3 3.53Å; Y405-W435 AromaticContact CZ-CE3 3.76Å; Y405-W435 WeakPolarHBondContact OH-CA 3.4Å; Y405-W435 PolarHBondContact OH-O 2.72Å; T415-W435 HydrophobicContact CG2-CH2 4.15Å; T415-W435 HydrophobicContact CG2-CZ3 3.88Å; Q418-W435 HydrophobicContact CB-CH2 3.97Å; Q418-W435 HydrophobicContact CB-CZ2 4.35Å; Q418-W435 HydrophobicContact CG-CH2 3.6Å; Q418-W435 HydrophobicContact CG-CZ2 3.62Å; I419-W435 HydrophobicContact CG1-CH2 4.13Å; I419-W435 HydrophobicContact CG1-CZ2 4.17Å; D422-W435 PolarHBondContact OD2-NE1 3.31Å; R430-W435 HydrophobicContact CB-CZ2 4.35Å; R430-W435 VanDerWaalsContact CB-NE1 3.31Å; T431-W435 PolarHBondContact O-N 3.18Å; Y432-W435 PolarHBondContact O-N 3.36Å; E433-W435 VanDerWaalsContact C-N 3.27Å; E433-W435 PolarHBondContact O-N 2.76Å
436	N	80.3	Confident	65.5	Low	0 Å²	0	79.7 Å²	79.7	0%	0	43%	0.433	C	S	.	.	H	α-helix	trans	-118.8	-11.1	-167.4	-67.6	-74.2	0	0	0	115.8	V361 D363 R366 Q397 W400 Y432 E433	V361-N436 PolarHBondContact O-ND2 2.91Å; D363-N436 WeakPolarHBondContact CB-OD1 3.48Å; D363-N436 PolarHBondContact N-OD1 3.42Å; R366-N436 PolarHBondContact NH1-O 3.38Å; R366-N436 PolarHBondContact NH2-O 2.92Å; Q397-N436 PolarHBondContact NE2-O 3.49Å; Q397-N436 PolarHBondContact OE1-O 2.76Å; W400-N436 VanDerWaalsContact CZ3-O 3.31Å; W400-N436 WeakPolarHBondContact CZ3-O 3.42Å; Y432-N436 HydrophobicContact CD1-CB 4.5Å; Y432-N436 WeakPolarHBondContact CD2-ND2 3.43Å; Y432-N436 HydrophobicContact CE1-CB 3.99Å; Y432-N436 HydrophobicContact CE2-CB 4.28Å; Y432-N436 WeakPolarHBondContact CE2-ND2 3.37Å; Y432-N436 WeakPolarHBondContact O-CB 3.41Å; Y432-N436 PolarHBondContact O-N 3.26Å; Y432-N436 PolarHBondContact O-ND2 3.07Å; E433-N436 PolarHBondContact O-N 3.18Å
437	N	75.9	Confident	63.8	Low	37 Å²	37	78.9 Å²	78.9	20%	0.198	42%	0.424	C	S	.	.	S	Bend	trans	-111.5	122.2	-179.8	-62.2	-26.1	0	0	0	111.9	R366 E433	R366-N437 PolarHBondContact NH1-OD1 3.47Å; R366-N437 PolarHBondContact NH2-OD1 3.03Å; R366-N437 VanDerWaalsContact NH2-OD1 3.09Å; E433-N437 WeakPolarHBondContact CB-ND2 3.37Å; E433-N437 WeakPolarHBondContact O-CA 3.39Å; E433-N437 WeakPolarHBondContact O-CB 3.26Å; E433-N437 PolarHBondContact O-N 3.25Å
438	P	71.1	Confident	62.5	Low	23 Å²	23	72.4 Å²	72.4	15%	0.149	40%	0.401	C	S	.	.			trans	-64.1	134.6	176	22.4	-31.3	0	0	0	111.7	W400 V440 V441	W400-P438 HydrophobicContact CD2-CB 4Å; W400-P438 HydrophobicContact CG-CB 3.86Å; P438-V440 PolarHBondContact O-N 3.35Å; P438-V440 VanDerWaalsContact O-N 3.15Å; P438-V441 HydrophobicContact CB-CG2 4.18Å; P438-V441 HydrophobicContact CG-CB 4.01Å; P438-V441 HydrophobicContact CG-CG2 3.57Å; P438-V441 PolarHBondContact O-N 2.96Å
439	P	61.8	Low	61.2	Low	114 Å²	114	72.5 Å²	72.5	74%	0.74	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-21.4	-174.6	22.6	-31.9	0	0	0	114.1
440	V	54.7	Low	59.9	Low	137 Å²	137	71.5 Å²	71.5	83%	0.83	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-18.1	-177.9	-170.4	0	0	0	0	112.1	P438 K442	P438-V440 PolarHBondContact O-N 3.35Å; P438-V440 VanDerWaalsContact O-N 3.15Å; V440-K442 PolarHBondContact O-N 3.49Å; V440-K442 VanDerWaalsContact O-N 3.15Å
441	V	45.3	Very low	58.5	Low	60 Å²	60	72.5 Å²	72.5	36%	0.364	40%	0.395	S	S	.	.			trans	-91.8	78.3	178.3	-167.8	0	0	0	0	108.9	P438 W443	P438-V441 HydrophobicContact CB-CG2 4.18Å; P438-V441 HydrophobicContact CG-CB 4.01Å; P438-V441 HydrophobicContact CG-CG2 3.57Å; P438-V441 PolarHBondContact O-N 2.96Å; V441-W443 HydrophobicContact CG1-CD2 3.79Å; V441-W443 HydrophobicContact CG1-CG 3.82Å; V441-W443 HydrophobicContact CG1-CZ2 4.19Å; V441-W443 PolarHBondContact O-N 2.66Å
442	K	37.1	Very low	57.3	Low	200 Å²	200	71 Å²	71	87%	0.87	38%	0.384	S	S	*	.			trans	-69.4	90.7	153.3	-81.5	-172.3	178.9	-179.3	0	106.8	V440 S444	V440-K442 PolarHBondContact O-N 3.49Å; V440-K442 VanDerWaalsContact O-N 3.15Å; K442-S444 PolarHBondContact O-N 3.3Å
443	W	41.9	Very low	55.8	Low	85 Å²	85	71 Å²	71	32%	0.322	39%	0.39	S	S	.	.			trans	-51.6	115.9	171.3	-62.9	82.8	0	0	0	108.3	E393 V441 S445 N447	E393-W443 HydrophobicContact CG-CH2 4.19Å; V441-W443 HydrophobicContact CG1-CD2 3.79Å; V441-W443 HydrophobicContact CG1-CG 3.82Å; V441-W443 HydrophobicContact CG1-CZ2 4.19Å; V441-W443 PolarHBondContact O-N 2.66Å; W443-S445 WeakPolarHBondContact CB-O 3.2Å; W443-S445 PolarHBondContact O-N 3Å; W443-N447 VanDerWaalsContact CD1-ND2 3.26Å
444	S	38.5	Very low	54.7	Low	128 Å²	128	70.5 Å²	70.5	90%	0.895	39%	0.39	S	S	*	.	S	Bend	trans	-69.5	-3.7	173.9	50.9	0	0	0	0	112.5	K442	K442-S444 PolarHBondContact O-N 3.3Å
445	S	41.7	Very low	53.4	Low	73 Å²	73	70.6 Å²	70.6	51%	0.51	39%	0.393	S	S	.	.	S	Bend	trans	-119.9	138.2	177.6	-53.3	0	0	0	0	107.9	W443 N447	W443-S445 WeakPolarHBondContact CB-O 3.2Å; W443-S445 PolarHBondContact O-N 3Å; S445-N447 PolarHBondContact O-N 3.33Å
446	V	40.6	Very low	52.1	Low	80 Å²	80	71.2 Å²	71.2	49%	0.485	40%	0.397	S	S	.	.			trans	-48.2	115.9	172.1	-174.5	0	0	0	0	108.2	S448 Y609 Y612	V446-S448 PolarHBondContact O-N 3.03Å; V446-S448 VanDerWaalsContact O-N 3.1Å; V446-Y609 HydrophobicContact CB-CE2 4.49Å; V446-Y609 HydrophobicContact CG1-CE2 3.67Å; V446-Y612 HydrophobicContact CG2-CE1 4.31Å
447	N	43.2	Very low	51	Low	75 Å²	75	75.3 Å²	75.3	40%	0.401	42%	0.424	S	S	.	.			trans	-58.2	118.9	170	-81.7	-21.7	0	0	0	106.7	W443 S445 P449	W443-N447 VanDerWaalsContact CD1-ND2 3.26Å; S445-N447 PolarHBondContact O-N 3.33Å; N447-P449 WeakPolarHBondContact O-CD 3.36Å; N447-P449 VanDerWaalsContact O-N 3.16Å
448	S	50.2	Low	49.9	Very low	15 Å²	15	84.4 Å²	84.4	11%	0.105	46%	0.456	C	S	.	.			trans	-66.4	114.2	171.4	171.5	0	0	0	0	107	V446 L450 F451 Y609	V446-S448 PolarHBondContact O-N 3.03Å; V446-S448 VanDerWaalsContact O-N 3.1Å; S448-L450 PolarHBondContact O-N 3.24Å; S448-L450 WeakPolarHBondContact OG-CB 3.47Å; S448-F451 VanDerWaalsContact CB-CD2 3.45Å; S448-F451 PolarHBondContact O-N 3.17Å; S448-Y609 VanDerWaalsContact CB-CE1 3.47Å; S448-Y609 VanDerWaalsContact OG-CE1 3.25Å; S448-Y609 WeakPolarHBondContact OG-CE1 3.41Å
449	P	53	Low	49.1	Very low	44 Å²	44	86.8 Å²	86.8	29%	0.286	48%	0.477	S	S	.	.	G	3₁₀ helix	trans	-60.1	-15.4	178.2	25.6	-34.1	0	0	0	112	N447 F451 L452 H607 Y609	N447-P449 WeakPolarHBondContact O-CD 3.36Å; N447-P449 VanDerWaalsContact O-N 3.16Å; P449-F451 VanDerWaalsContact C-N 3.34Å; P449-F451 PolarHBondContact O-N 3.26Å; P449-L452 WeakPolarHBondContact O-CB 3.47Å; P449-L452 PolarHBondContact O-N 3.43Å; P449-H607 WeakPolarHBondContact CG-CE1 3.02Å; P449-Y609 HydrophobicContact CG-CD1 4.36Å; P449-Y609 HydrophobicContact CG-CD2 4.34Å; P449-Y609 HydrophobicContact CG-CG 3.94Å
450	L	53.9	Low	49.4	Very low	11 Å²	11	85.7 Å²	85.7	6%	0.058	47%	0.47	C	S	.	.	G	3₁₀ helix	trans	-73.4	-19.2	-179.9	-56.3	176.5	0	0	0	114.8	S448 L452 P566 D567 H607 Y609 F610	S448-L450 PolarHBondContact O-N 3.24Å; S448-L450 WeakPolarHBondContact OG-CB 3.47Å; L450-L452 VanDerWaalsContact C-N 3.32Å; L450-P566 VanDerWaalsContact CD2-O 3.31Å; L450-P566 WeakPolarHBondContact CD2-O 3.42Å; L450-D567 HydrophobicContact CB-CB 3.9Å; L450-D567 HydrophobicContact CD2-CB 4.36Å; L450-H607 HydrophobicContact CD2-CB 3.42Å; L450-H607 VanDerWaalsContact CD2-CB 3.42Å; L450-H607 VanDerWaalsContact CD2-CD2 3.46Å; L450-H607 WeakPolarHBondContact CD2-CD2 3.2Å; L450-H607 HydrophobicContact CG-CB 4.49Å; L450-Y609 HydrophobicContact CD1-CD1 3.83Å; L450-Y609 HydrophobicContact CG-CD1 4.11Å; L450-F610 HydrophobicContact CD1-CD1 4.24Å; L450-F610 HydrophobicContact CD1-CD2 4.28Å; L450-F610 HydrophobicContact CD1-CE1 3.44Å; L450-F610 VanDerWaalsContact CD1-CE1 3.44Å; L450-F610 HydrophobicContact CD1-CE2 3.51Å; L450-F610 HydrophobicContact CD1-CZ 3.03Å; L450-F610 HydrophobicContact CD2-CE2 4.49Å; L450-F610 HydrophobicContact CG-CZ 4.42Å
451	F	53.1	Low	51.1	Low	120 Å²	120	79.7 Å²	79.7	53%	0.526	44%	0.436	S	S	.	.	G	3₁₀ helix	trans	-93.3	2.7	173.6	-56.2	-60.5	0	0	0	112.3	S448 P449 P453 I644	S448-F451 VanDerWaalsContact CB-CD2 3.45Å; S448-F451 PolarHBondContact O-N 3.17Å; P449-F451 VanDerWaalsContact C-N 3.34Å; P449-F451 PolarHBondContact O-N 3.26Å; F451-P453 WeakPolarHBondContact O-CD 3.24Å; F451-I644 HydrophobicContact CE2-CG2 4.33Å; F451-I644 HydrophobicContact CZ-CG2 3.97Å; F451-I644 WeakPolarHBondContact CZ-O 3.3Å
452	L	51.4	Low	53.4	Low	36 Å²	36	76.9 Å²	76.9	19%	0.188	42%	0.419	C	S	.	.	S	Bend	trans	-83	119	161.3	-55.2	178.6	0	0	0	106.8	Y432 P449 L450 L454	Y432-L452 HydrophobicContact CE1-CD1 4.18Å; Y432-L452 HydrophobicContact CE1-CD2 3.86Å; Y432-L452 HydrophobicContact CE1-CG 4.47Å; P449-L452 WeakPolarHBondContact O-CB 3.47Å; P449-L452 PolarHBondContact O-N 3.43Å; L450-L452 VanDerWaalsContact C-N 3.32Å; L452-L454 HydrophobicContact CB-CD1 3.92Å; L452-L454 HydrophobicContact CB-CG 3.98Å; L452-L454 HydrophobicContact CD1-CD1 3.99Å; L452-L454 PolarHBondContact O-N 3.45Å
453	P	41.8	Very low	56.2	Low	47 Å²	47	67.4 Å²	67.4	31%	0.305	38%	0.378	S	S	.	.			trans	-76.3	46.8	176.8	35.3	-37.4	0	0	0	111.1	D363 K365 F451 I455	D363-P453 WeakPolarHBondContact OD1-CG 3.39Å; D363-P453 WeakPolarHBondContact OD2-CD 3.33Å; D363-P453 WeakPolarHBondContact OD2-CG 3.49Å; K365-P453 HydrophobicContact CB-CG 3.98Å; K365-P453 HydrophobicContact CD-CB 3.41Å; K365-P453 VanDerWaalsContact CD-CB 3.41Å; K365-P453 HydrophobicContact CD-CG 3.58Å; K365-P453 HydrophobicContact CG-CG 4.39Å; F451-P453 WeakPolarHBondContact O-CD 3.24Å; P453-I455 PolarHBondContact O-N 3.01Å
454	L	50.9	Low	58.9	Low	76 Å²	76	63.3 Å²	63.3	40%	0.398	36%	0.362	S	S	.	.			trans	-79.4	114.7	171.4	-65	170.1	0	0	0	107	Y432 L452 P456	Y432-L454 HydrophobicContact CD2-CD2 3.86Å; Y432-L454 HydrophobicContact CE2-CD2 3.9Å; Y432-L454 HydrophobicContact CG-CD2 4.24Å; L452-L454 HydrophobicContact CB-CD1 3.92Å; L452-L454 HydrophobicContact CB-CG 3.98Å; L452-L454 HydrophobicContact CD1-CD1 3.99Å; L452-L454 PolarHBondContact O-N 3.45Å; L454-P456 WeakPolarHBondContact O-CD 3.31Å
455	I	52.9	Low	61.7	Low	117 Å²	117	57.2 Å²	57.2	60%	0.6	32%	0.32	S	S	*	.	P	Polyproline II helix	trans	-64.9	120.6	157.8	-61.6	173.4	0	0	0	104.8	P453	P453-I455 PolarHBondContact O-N 3.01Å
456	P	55.7	Low	64.3	Low	18 Å²	18	53.8 Å²	53.8	12%	0.117	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-53.6	133.3	177.3	-24.5	36	0	0	0	109.6	L454 W562 R563 P566	L454-P456 WeakPolarHBondContact O-CD 3.31Å; P456-W562 HydrophobicContact CB-CZ3 4.16Å; P456-W562 HydrophobicContact CG-CH2 4.05Å; P456-W562 HydrophobicContact CG-CZ3 3.77Å; P456-R563 HydrophobicContact CB-CG 4.28Å; P456-R563 WeakPolarHBondContact CD-O 3.38Å; P456-R563 HydrophobicContact CG-CB 4.44Å; P456-R563 HydrophobicContact CG-CG 4.46Å; P456-R563 PolarHBondContact O-NE 3.13Å; P456-R563 PolarHBondContact O-NH2 3.02Å; P456-P566 HydrophobicContact CG-CB 4.04Å; P456-P566 HydrophobicContact CG-CG 4.31Å
457	P	55.6	Low	66.9	Low	86 Å²	86	50.7 Å²	50.7	56%	0.558	28%	0.276	S	S	*	.	P	Polyproline II helix	trans	-54.5	155.1	-179.2	22.6	-32.8	0	0	0	110.8	A459	P457-A459 WeakPolarHBondContact CB-O 3.31Å; P457-A459 WeakPolarHBondContact CG-O 3.27Å; P457-A459 PolarHBondContact O-N 3.45Å
458	R	53.1	Low	69.3	Low	228 Å²	228	47.3 Å²	47.3	86%	0.86	26%	0.258	S	S	*	.	S	Bend	trans	-59.8	-10.6	-178.3	-76.1	-176.4	175.6	172.8	-0.2	114	R563	R458-R563 VanDerWaalsContact CG-NH2 3.32Å
459	A	54.3	Low	71.2	Confident	73 Å²	73	51.4 Å²	51.4	60%	0.603	27%	0.272	S	S	*	.			trans	-145.1	140.5	162.1	0	0	0	0	0	108.3	P457	P457-A459 WeakPolarHBondContact CB-O 3.31Å; P457-A459 WeakPolarHBondContact CG-O 3.27Å; P457-A459 PolarHBondContact O-N 3.45Å
460	P	68.9	Low	72.9	Confident	90 Å²	90	52.9 Å²	52.9	58%	0.584	28%	0.278	S	S	*	.	S	Bend	cis	-123.2	86	42.5	36.8	-21.1	0	0	0	113.3	T537	P460-T537 WeakPolarHBondContact O-CG2 3.48Å
461	G	89.4	Confident	74.5	Confident	12 Å²	12	55.6 Å²	55.6	12%	0.124	29%	0.287	C	S	.	.			trans	46.5	-152.2	158.5	0	0	0	0	0	118.6	S487 Y559	G461-S487 CarbonylContact C-O 3.5Å; G461-S487 WeakPolarHBondContact CA-O 3.35Å; G461-Y559 VanDerWaalsContact C-OH 3.24Å; G461-Y559 VanDerWaalsContact CA-OH 3.24Å; G461-Y559 WeakPolarHBondContact CA-OH 3.24Å; G461-Y559 PolarHBondContact N-OH 3.16Å; G461-Y559 VanDerWaalsContact O-CE2 3.28Å; G461-Y559 WeakPolarHBondContact O-CE2 3.06Å; G461-Y559 PolarHBondContact O-OH 2.81Å
462	F	94.6	Very high	76.2	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	157.5	174.3	66.2	-93.4	0	0	0	112.2	A464 V485 S487 L488 A489 A539 L541 Y559 F605	F462-A464 HydrophobicContact CE2-CB 4.22Å; F462-V485 HydrophobicContact CE1-CG1 3.74Å; F462-V485 HydrophobicContact CZ-CB 4.26Å; F462-V485 HydrophobicContact CZ-CG1 3.8Å; F462-S487 WeakPolarHBondContact CD1-O 3.09Å; F462-S487 PolarHBondContact N-O 3.3Å; F462-L488 HydrophobicContact CD2-CD1 4.09Å; F462-L488 HydrophobicContact CE2-CB 4.49Å; F462-L488 HydrophobicContact CE2-CD1 3.62Å; F462-L488 HydrophobicContact CZ-CB 4.22Å; F462-L488 HydrophobicContact CZ-CD1 4.17Å; F462-A489 WeakPolarHBondContact O-CB 3.17Å; F462-A489 PolarHBondContact O-N 2.81Å; F462-A539 HydrophobicContact CB-CB 3.72Å; F462-L541 HydrophobicContact CD2-CB 3.73Å; F462-L541 HydrophobicContact CD2-CD2 4.43Å; F462-L541 HydrophobicContact CE2-CB 3.85Å; F462-L541 HydrophobicContact CE2-CD2 3.67Å; F462-L541 HydrophobicContact CE2-CG 4.42Å; F462-L541 HydrophobicContact CZ-CD2 4.3Å; F462-Y559 HydrophobicContact CB-CD2 3.97Å; F462-Y559 HydrophobicContact CB-CE2 3.91Å; F462-Y559 HydrophobicContact CD1-CD1 4.29Å; F462-Y559 AromaticContact CD1-CD2 3.64Å; F462-Y559 HydrophobicContact CD1-CD2 3.64Å; F462-Y559 HydrophobicContact CD1-CE2 4.07Å; F462-Y559 AromaticContact CD1-CG 3.75Å; F462-Y559 HydrophobicContact CD1-CG 3.75Å; F462-Y559 HydrophobicContact CE1-CG 4.27Å; F462-Y559 HydrophobicContact CG-CD2 4.19Å; F462-Y559 HydrophobicContact CG-CE2 4.49Å; F462-F605 HydrophobicContact CB-CE1 4.33Å; F462-F605 AromaticContact CD1-CE1 3.87Å; F462-F605 HydrophobicContact CD1-CE1 3.87Å; F462-F605 AromaticContact CD2-CE1 3.83Å; F462-F605 HydrophobicContact CD2-CE1 3.83Å; F462-F605 HydrophobicContact CE1-CE1 4.04Å; F462-F605 HydrophobicContact CE1-CZ 4.3Å; F462-F605 HydrophobicContact CE2-CE1 4.01Å; F462-F605 HydrophobicContact CE2-CZ 4.42Å; F462-F605 AromaticContact CG-CE1 3.76Å; F462-F605 HydrophobicContact CG-CE1 3.76Å; F462-F605 HydrophobicContact CZ-CE1 4.12Å; F462-F605 HydrophobicContact CZ-CZ 4.24Å
463	T	96.1	Very high	78	Confident	1 Å²	1	58.3 Å²	58.3	1%	0.006	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	124.5	171.7	-60.6	0	0	0	0	108.3	V465 K490 L492 I535 T537 A539 V540 L541	T463-V465 HydrophobicContact CG2-CG2 4.42Å; T463-K490 WeakPolarHBondContact CA-O 3.41Å; T463-K490 HydrophobicContact CG2-CB 4.16Å; T463-L492 HydrophobicContact CG2-CB 4.31Å; T463-I535 HydrophobicContact CG2-CG1 4.4Å; T463-T537 VanDerWaalsContact CB-OG1 3.29Å; T463-T537 WeakPolarHBondContact CB-OG1 3.38Å; T463-T537 PolarHBondContact N-OG1 3.34Å; T463-T537 PolarHBondContact OG1-OG1 3.18Å; T463-A539 PolarHBondContact N-O 3.33Å; T463-A539 VanDerWaalsContact N-O 3.14Å; T463-V540 WeakPolarHBondContact O-CA 3.36Å; T463-L541 PolarHBondContact O-N 3.42Å
464	A	97.2	Very high	80.3	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	126.3	173.2	0	0	0	0	0	110	F462 I482 L488 K490 L491 L492 L541	F462-A464 HydrophobicContact CE2-CB 4.22Å; A464-I482 HydrophobicContact CB-CG2 3.96Å; A464-L488 HydrophobicContact CB-CD1 3.7Å; A464-K490 PolarHBondContact N-O 2.91Å; A464-L491 HydrophobicContact CB-CD2 3.75Å; A464-L492 PolarHBondContact O-N 3.4Å; A464-L541 CarbonylContact C-O 3.57Å; A464-L541 WeakPolarHBondContact CA-O 3.43Å; A464-L541 HydrophobicContact CB-CB 4.33Å; A464-L541 HydrophobicContact CB-CD2 4.28Å
465	V	97.8	Very high	82.3	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	114.4	178.2	-177.6	0	0	0	0	108.3	T463 L492 V494 R528 I535 V540 L541 I543	T463-V465 HydrophobicContact CG2-CG2 4.42Å; V465-L492 WeakPolarHBondContact CA-O 3.13Å; V465-L492 HydrophobicContact CG2-CB 4.34Å; V465-L492 HydrophobicContact CG2-CD2 4.26Å; V465-V494 HydrophobicContact CG1-CG2 3.77Å; V465-R528 HydrophobicContact CG1-CB 4.32Å; V465-I535 HydrophobicContact CG2-CD1 4.08Å; V465-I535 HydrophobicContact CG2-CG1 4.49Å; V465-V540 HydrophobicContact CB-CG1 4.32Å; V465-V540 HydrophobicContact CG2-CG1 3.64Å; V465-L541 PolarHBondContact N-O 2.75Å; V465-I543 PolarHBondContact O-N 2.97Å
466	V	96.9	Very high	84.2	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	114.4	-179.8	-165.6	0	0	0	0	108.8	L475 I482 L492 I493 V494 I543 D545	V466-L475 HydrophobicContact CB-CD1 4.28Å; V466-L475 HydrophobicContact CG1-CD1 3.64Å; V466-I482 HydrophobicContact CG2-CD1 4.42Å; V466-L492 PolarHBondContact N-O 3.49Å; V466-I493 HydrophobicContact CB-CD1 3.91Å; V466-I493 HydrophobicContact CG2-CD1 3.93Å; V466-V494 PolarHBondContact O-N 3.24Å; V466-I543 HydrophobicContact CG2-CG2 3.75Å; V466-D545 HydrophobicContact CG1-CB 4.09Å
467	L	95.1	Very high	85.9	Confident	16 Å²	16	53.6 Å²	53.6	8%	0.084	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	127.7	170.8	-173.1	69	0	0	0	108.4	V494 N496 L525 N527 R528	L467-V494 HydrophobicContact CD1-CB 3.79Å; L467-V494 HydrophobicContact CD1-CG1 3.49Å; L467-V494 VanDerWaalsContact CD1-CG1 3.49Å; L467-N496 HydrophobicContact CD1-CB 3.9Å; L467-N496 HydrophobicContact CG-CB 4.48Å; L467-L525 HydrophobicContact CD2-CD2 4.1Å; L467-N527 HydrophobicContact CD1-CB 4.32Å; L467-R528 HydrophobicContact CB-CB 4.03Å; L467-R528 HydrophobicContact CD1-CB 4.44Å; L467-R528 HydrophobicContact CD2-CB 4.43Å
468	T	93.6	Very high	87.6	Confident	3 Å²	3	49.6 Å²	49.6	2%	0.018	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	140.7	-179.1	-171.8	0	0	0	0	113.5	L475 I493 V494 W495 N496 D545	T468-L475 HydrophobicContact CG2-CD2 3.89Å; T468-I493 HydrophobicContact CG2-CG2 3.83Å; T468-V494 PolarHBondContact N-O 2.75Å; T468-W495 HydrophobicContact CG2-CD2 4.39Å; T468-W495 HydrophobicContact CG2-CE3 3.63Å; T468-W495 HydrophobicContact CG2-CZ3 4.05Å; T468-N496 VanDerWaalsContact O-CB 3.28Å; T468-N496 WeakPolarHBondContact O-CB 3.4Å; T468-N496 PolarHBondContact O-N 3.29Å; T468-D545 WeakPolarHBondContact CA-OD2 3.02Å; T468-D545 WeakPolarHBondContact CB-OD2 3.47Å; T468-D545 PolarHBondContact OG1-OD2 2.77Å
469	Y	91	Very high	89.5	Confident	101 Å²	101	38.7 Å²	38.7	40%	0.396	20%	0.199	S	C	.	.	S	Bend	trans	-142.4	104.8	173.6	-174.1	-87.4	0	0	0	110.1	R471 N497 N523 D545	Y469-R471 VanDerWaalsContact C-N 3.32Å; Y469-R471 PolarHBondContact O-N 2.95Å; Y469-N497 HydrophobicContact CD2-CB 4.08Å; Y469-N497 HydrophobicContact CE2-CB 4.23Å; Y469-N523 HydrophobicContact CE2-CB 4.48Å; Y469-N523 WeakPolarHBondContact CE2-ND2 3.5Å; Y469-D545 PolarHBondContact N-OD2 2.99Å
470	D	87.5	Confident	91.3	Very high	76 Å²	76	37.9 Å²	37.9	41%	0.406	19%	0.187	S	C	.	.	S	Bend	trans	58.6	29.6	171.7	-145.3	15.2	0	0	0	116.8	K500	D470-K500 WeakPolarHBondContact OD1-CD 3.42Å; D470-K500 IonicContact OD1-NZ 2.65Å; D470-K500 PolarHBondContact OD1-NZ 3.43Å; D470-K500 IonicContact OD2-NZ 2.77Å; D470-K500 PolarHBondContact OD2-NZ 2.7Å
471	R	87.9	Confident	92.3	Very high	68 Å²	68	36.5 Å²	36.5	26%	0.257	17%	0.172	S	C	.	.			trans	-130.3	57.8	-179.5	-66.1	171.6	177.2	-168.3	-3.4	112.9	Y469 E473 S474 L475 D545 D546 D667	Y469-R471 VanDerWaalsContact C-N 3.32Å; Y469-R471 PolarHBondContact O-N 2.95Å; R471-E473 PolarHBondContact O-N 2.84Å; R471-S474 PolarHBondContact O-N 3.07Å; R471-L475 VanDerWaalsContact O-CB 3.3Å; R471-L475 WeakPolarHBondContact O-CB 3.4Å; R471-L475 PolarHBondContact O-N 3.13Å; R471-D545 WeakPolarHBondContact CD-OD1 3.24Å; R471-D545 IonicContact NH1-OD1 2.67Å; R471-D546 IonicContact CZ-OD2 3.96Å; R471-D546 VanDerWaalsContact NH1-CG 3.31Å; R471-D546 IonicContact NH1-OD2 3.6Å; R471-D546 PolarHBondContact NH1-OD2 2.89Å; R471-D667 PolarHBondContact NH2-O 3.15Å
472	I	89.1	Confident	92.5	Very high	61 Å²	61	36.1 Å²	36.1	31%	0.313	17%	0.167	S	C	.	.	H	α-helix	trans	-61.7	-43.7	-170.9	-61.6	166	0	0	0	112.8	S474 L475 F476 W495 P503	I472-S474 PolarHBondContact O-N 2.94Å; I472-L475 WeakPolarHBondContact O-CB 3.48Å; I472-L475 PolarHBondContact O-N 2.8Å; I472-F476 HydrophobicContact CG2-CD1 4.33Å; I472-F476 HydrophobicContact CG2-CD2 4.19Å; I472-F476 HydrophobicContact CG2-CE1 3.93Å; I472-F476 HydrophobicContact CG2-CE2 3.77Å; I472-F476 HydrophobicContact CG2-CG 4.47Å; I472-F476 HydrophobicContact CG2-CZ 3.63Å; I472-F476 WeakPolarHBondContact O-CG 3.29Å; I472-F476 PolarHBondContact O-N 3.1Å; I472-W495 HydrophobicContact CD1-CH2 4.3Å; I472-W495 HydrophobicContact CG1-CH2 4.11Å; I472-P503 HydrophobicContact CD1-CG 3.93Å; I472-P503 HydrophobicContact CG1-CG 4.35Å; I472-P503 HydrophobicContact CG2-CG 4.03Å
473	E	88.6	Confident	92.4	Very high	152 Å²	152	37.7 Å²	37.7	71%	0.71	18%	0.178	S	C	*	.	H	α-helix	trans	-64	-44.2	-178.1	-65.2	-174.5	173.1	0	0	112	R471 F476 R477	R471-E473 PolarHBondContact O-N 2.84Å; E473-F476 PolarHBondContact O-N 3.36Å; E473-R477 PolarHBondContact O-N 3.31Å
474	S	89.6	Confident	92.2	Very high	14 Å²	14	43 Å²	43	10%	0.098	20%	0.202	C	C	.	.	H	α-helix	trans	-66.3	-44	177.1	-171.6	0	0	0	0	111.3	R471 I472 F476 R477 V478 D545 D546	R471-S474 PolarHBondContact O-N 3.07Å; I472-S474 PolarHBondContact O-N 2.94Å; S474-F476 VanDerWaalsContact C-N 3.29Å; S474-F476 PolarHBondContact O-N 2.82Å; S474-R477 WeakPolarHBondContact O-CB 3.16Å; S474-R477 PolarHBondContact O-N 2.95Å; S474-R477 VanDerWaalsContact O-N 3.09Å; S474-V478 WeakPolarHBondContact O-CG2 3.22Å; S474-V478 PolarHBondContact O-N 3.3Å; S474-D545 CarbonylContact C-O 3.35Å; S474-D545 WeakPolarHBondContact CB-O 3.44Å; S474-D545 PolarHBondContact OG-O 2.87Å; S474-D546 WeakPolarHBondContact OG-CA 3.37Å
475	L	92.6	Very high	92	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-53.5	-45.8	174.6	173.7	65.8	0	0	0	111.9	V466 T468 R471 I472 R477 V478 I479 I493 W508 D545	V466-L475 HydrophobicContact CB-CD1 4.28Å; V466-L475 HydrophobicContact CG1-CD1 3.64Å; T468-L475 HydrophobicContact CG2-CD2 3.89Å; R471-L475 VanDerWaalsContact O-CB 3.3Å; R471-L475 WeakPolarHBondContact O-CB 3.4Å; R471-L475 PolarHBondContact O-N 3.13Å; I472-L475 WeakPolarHBondContact O-CB 3.48Å; I472-L475 PolarHBondContact O-N 2.8Å; L475-R477 VanDerWaalsContact C-N 3.3Å; L475-R477 PolarHBondContact O-N 3.47Å; L475-V478 PolarHBondContact O-N 2.79Å; L475-I479 HydrophobicContact CD1-CD1 3.92Å; L475-I479 HydrophobicContact CD1-CG1 4.25Å; L475-I479 HydrophobicContact CD2-CD1 4.49Å; L475-I479 HydrophobicContact CG-CD1 3.8Å; L475-I479 WeakPolarHBondContact O-CB 3.37Å; L475-I479 VanDerWaalsContact O-CG1 3.27Å; L475-I479 WeakPolarHBondContact O-CG1 3.33Å; L475-I479 PolarHBondContact O-N 2.82Å; L475-I493 HydrophobicContact CD1-CD1 4.31Å; L475-I493 HydrophobicContact CD1-CG2 4.33Å; L475-I493 HydrophobicContact CD2-CG2 4.21Å; L475-W508 HydrophobicContact CD2-CH2 4.12Å; L475-W508 HydrophobicContact CD2-CZ3 4.15Å; L475-D545 HydrophobicContact CB-CB 4.44Å; L475-D545 HydrophobicContact CD1-CB 4.35Å; L475-D545 PolarHBondContact N-O 3.08Å
476	F	93.8	Very high	91.6	Very high	40 Å²	40	48.4 Å²	48.4	18%	0.175	24%	0.236	C	C	.	.	H	α-helix	trans	-65.5	-33.9	-179.4	-73.5	0	0	0	0	112.7	I472 E473 S474 I479 T480 P503 L507 W508 P509	I472-F476 HydrophobicContact CG2-CD1 4.33Å; I472-F476 HydrophobicContact CG2-CD2 4.19Å; I472-F476 HydrophobicContact CG2-CE1 3.93Å; I472-F476 HydrophobicContact CG2-CE2 3.77Å; I472-F476 HydrophobicContact CG2-CG 4.47Å; I472-F476 HydrophobicContact CG2-CZ 3.63Å; I472-F476 WeakPolarHBondContact O-CG 3.29Å; I472-F476 PolarHBondContact O-N 3.1Å; E473-F476 PolarHBondContact O-N 3.36Å; S474-F476 VanDerWaalsContact C-N 3.29Å; S474-F476 PolarHBondContact O-N 2.82Å; F476-I479 HydrophobicContact CD1-CD1 4.35Å; F476-T480 WeakPolarHBondContact O-CB 3.35Å; F476-T480 PolarHBondContact O-N 2.94Å; F476-T480 PolarHBondContact O-OG1 2.81Å; F476-P503 HydrophobicContact CZ-CG 4.29Å; F476-L507 WeakPolarHBondContact CE2-O 3.34Å; F476-W508 HydrophobicContact CD1-CE3 4.45Å; F476-W508 AromaticContact CE1-CD2 3.9Å; F476-W508 HydrophobicContact CE1-CD2 3.9Å; F476-W508 AromaticContact CE1-CE3 3.81Å; F476-W508 HydrophobicContact CE1-CE3 3.81Å; F476-W508 HydrophobicContact CE1-CG 4.31Å; F476-W508 HydrophobicContact CE1-CZ3 4.15Å; F476-W508 HydrophobicContact CZ-CD2 4.36Å; F476-W508 HydrophobicContact CZ-CG 4.39Å; F476-P509 HydrophobicContact CB-CG 3.72Å; F476-P509 HydrophobicContact CD1-CG 4.11Å; F476-P509 HydrophobicContact CD2-CG 4.44Å; F476-P509 HydrophobicContact CG-CG 3.86Å
477	R	90.6	Very high	91.4	Very high	105 Å²	105	49.4 Å²	49.4	40%	0.396	24%	0.243	S	C	.	.	H	α-helix	trans	-68.5	-46.4	172.7	-68.2	179.1	179	-150.1	5.8	111.8	E473 S474 L475 I479 T480 E481 I548 E662	E473-R477 PolarHBondContact O-N 3.31Å; S474-R477 WeakPolarHBondContact O-CB 3.16Å; S474-R477 PolarHBondContact O-N 2.95Å; S474-R477 VanDerWaalsContact O-N 3.09Å; L475-R477 VanDerWaalsContact C-N 3.3Å; L475-R477 PolarHBondContact O-N 3.47Å; R477-I479 VanDerWaalsContact C-N 3.32Å; R477-I479 PolarHBondContact O-N 2.9Å; R477-T480 WeakPolarHBondContact O-CB 3.32Å; R477-T480 PolarHBondContact O-N 3.12Å; R477-T480 VanDerWaalsContact O-N 3.11Å; R477-E481 PolarHBondContact O-N 2.91Å; R477-I548 HydrophobicContact CB-CG2 3.93Å; R477-E662 IonicContact CZ-OE1 3.1Å; R477-E662 IonicContact CZ-OE2 2.8Å; R477-E662 IonicContact NE-OE2 3.48Å; R477-E662 PolarHBondContact NE-OE2 3.05Å; R477-E662 IonicContact NH1-OE1 2.69Å; R477-E662 PolarHBondContact NH1-OE1 2.8Å; R477-E662 IonicContact NH1-OE2 2.93Å; R477-E662 PolarHBondContact NH1-OE2 3.42Å; R477-E662 IonicContact NH2-OE1 2.79Å; R477-E662 PolarHBondContact NH2-OE1 2.95Å; R477-E662 IonicContact NH2-OE2 2.77Å; R477-E662 PolarHBondContact NH2-OE2 2.83Å
478	V	91.9	Very high	91.4	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.006	24%	0.242	C	C	.	.	H	α-helix	trans	-56.4	-46.9	175.6	171.8	0	0	0	0	110.6	S474 L475 T480 E481 I482 I543 I548	S474-V478 WeakPolarHBondContact O-CG2 3.22Å; S474-V478 PolarHBondContact O-N 3.3Å; L475-V478 PolarHBondContact O-N 2.79Å; V478-T480 VanDerWaalsContact C-N 3.33Å; V478-T480 PolarHBondContact O-N 2.99Å; V478-E481 PolarHBondContact O-N 3.42Å; V478-I482 HydrophobicContact CG1-CD1 3.42Å; V478-I482 VanDerWaalsContact CG1-CD1 3.42Å; V478-I482 HydrophobicContact CG1-CG1 4.26Å; V478-I482 WeakPolarHBondContact O-CB 3.48Å; V478-I482 WeakPolarHBondContact O-CD1 3.29Å; V478-I482 VanDerWaalsContact O-CG1 3.22Å; V478-I482 WeakPolarHBondContact O-CG1 3.01Å; V478-I482 PolarHBondContact O-N 3.4Å; V478-I543 HydrophobicContact CG1-CG2 4.48Å; V478-I548 HydrophobicContact CG2-CG2 3.82Å
479	I	93.6	Very high	91.4	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-58	-45.7	175.5	-72.4	166	0	0	0	111.3	L475 F476 R477 S483 L491 I493 W508 P509 V511 L515	L475-I479 HydrophobicContact CD1-CD1 3.92Å; L475-I479 HydrophobicContact CD1-CG1 4.25Å; L475-I479 HydrophobicContact CD2-CD1 4.49Å; L475-I479 HydrophobicContact CG-CD1 3.8Å; L475-I479 WeakPolarHBondContact O-CB 3.37Å; L475-I479 VanDerWaalsContact O-CG1 3.27Å; L475-I479 WeakPolarHBondContact O-CG1 3.33Å; L475-I479 PolarHBondContact O-N 2.82Å; F476-I479 HydrophobicContact CD1-CD1 4.35Å; R477-I479 VanDerWaalsContact C-N 3.32Å; R477-I479 PolarHBondContact O-N 2.9Å; I479-S483 VanDerWaalsContact O-CB 3.22Å; I479-S483 WeakPolarHBondContact O-CB 3.48Å; I479-S483 PolarHBondContact O-N 2.78Å; I479-S483 PolarHBondContact O-OG 3.17Å; I479-L491 HydrophobicContact CG2-CD1 4.07Å; I479-I493 HydrophobicContact CD1-CD1 3.91Å; I479-I493 HydrophobicContact CD1-CG1 4.44Å; I479-I493 HydrophobicContact CG1-CD1 4.08Å; I479-W508 HydrophobicContact CD1-CE3 3.89Å; I479-W508 HydrophobicContact CD1-CZ3 3.67Å; I479-P509 HydrophobicContact CB-CG 4.43Å; I479-P509 HydrophobicContact CG2-CB 4.09Å; I479-P509 HydrophobicContact CG2-CG 4.1Å; I479-V511 HydrophobicContact CG2-CG1 3.76Å; I479-L515 HydrophobicContact CD1-CD1 4.28Å; I479-L515 HydrophobicContact CG2-CD1 4.11Å
480	T	91.6	Very high	91.5	Very high	56 Å²	56	47.3 Å²	47.3	34%	0.344	24%	0.243	S	C	.	.	H	α-helix	trans	-63	-43.7	-179	-58.1	0	0	0	0	111.3	F476 R477 V478 S483	F476-T480 WeakPolarHBondContact O-CB 3.35Å; F476-T480 PolarHBondContact O-N 2.94Å; F476-T480 PolarHBondContact O-OG1 2.81Å; R477-T480 WeakPolarHBondContact O-CB 3.32Å; R477-T480 PolarHBondContact O-N 3.12Å; R477-T480 VanDerWaalsContact O-N 3.11Å; V478-T480 VanDerWaalsContact C-N 3.33Å; V478-T480 PolarHBondContact O-N 2.99Å; T480-S483 PolarHBondContact O-OG 2.73Å
481	E	89.9	Confident	91.9	Very high	61 Å²	61	43.7 Å²	43.7	29%	0.285	22%	0.223	S	C	.	.	H	α-helix	trans	-70.2	-45.9	179.2	-67.1	-49.8	127.8	0	0	112.8	R477 V478 S483 K484	R477-E481 PolarHBondContact O-N 2.91Å; V478-E481 PolarHBondContact O-N 3.42Å; E481-S483 PolarHBondContact O-N 3.23Å; E481-K484 WeakPolarHBondContact O-CB 3.28Å; E481-K484 PolarHBondContact O-N 3.32Å; E481-K484 IonicContact OE1-NZ 3.98Å; E481-K484 PolarHBondContact OE1-NZ 3.01Å; E481-K484 IonicContact OE2-NZ 2.62Å; E481-K484 PolarHBondContact OE2-NZ 3.21Å
482	I	92.6	Very high	92.3	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.015	21%	0.211	C	C	.	.	H	α-helix	trans	-62.5	-36.2	178.6	-61.9	164.7	0	0	0	110.5	A464 V466 V478 K484 V485 L488 L491 I543 L555	A464-I482 HydrophobicContact CB-CG2 3.96Å; V466-I482 HydrophobicContact CG2-CD1 4.42Å; V478-I482 HydrophobicContact CG1-CD1 3.42Å; V478-I482 VanDerWaalsContact CG1-CD1 3.42Å; V478-I482 HydrophobicContact CG1-CG1 4.26Å; V478-I482 WeakPolarHBondContact O-CB 3.48Å; V478-I482 WeakPolarHBondContact O-CD1 3.29Å; V478-I482 VanDerWaalsContact O-CG1 3.22Å; V478-I482 WeakPolarHBondContact O-CG1 3.01Å; V478-I482 PolarHBondContact O-N 3.4Å; I482-K484 PolarHBondContact O-N 2.69Å; I482-K484 VanDerWaalsContact O-N 3.08Å; I482-V485 WeakPolarHBondContact O-CB 3.44Å; I482-V485 VanDerWaalsContact O-CG2 3.28Å; I482-V485 WeakPolarHBondContact O-CG2 3.43Å; I482-V485 PolarHBondContact O-N 3.42Å; I482-L488 HydrophobicContact CG2-CD1 3.91Å; I482-L488 HydrophobicContact CG2-CD2 3.88Å; I482-L488 HydrophobicContact CG2-CG 4.46Å; I482-L488 WeakPolarHBondContact O-CD2 3.5Å; I482-L491 HydrophobicContact CG2-CD2 4.16Å; I482-I543 HydrophobicContact CD1-CD1 4.06Å; I482-I543 HydrophobicContact CD1-CG2 3.65Å; I482-I543 HydrophobicContact CG1-CD1 4.4Å; I482-L555 HydrophobicContact CG1-CD1 4.08Å
483	S	92.7	Very high	92.7	Very high	34 Å²	34	37.5 Å²	37.5	24%	0.238	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-16.2	-179.6	75.8	0	0	0	0	114.9	I479 T480 E481 V485 V511	I479-S483 VanDerWaalsContact O-CB 3.22Å; I479-S483 WeakPolarHBondContact O-CB 3.48Å; I479-S483 PolarHBondContact O-N 2.78Å; I479-S483 PolarHBondContact O-OG 3.17Å; T480-S483 PolarHBondContact O-OG 2.73Å; E481-S483 PolarHBondContact O-N 3.23Å; S483-V485 VanDerWaalsContact C-N 3.3Å; S483-V511 VanDerWaalsContact CB-CG1 3.48Å
484	K	92.1	Very high	93.1	Very high	113 Å²	113	30.3 Å²	30.3	49%	0.491	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-16.5	175.6	-60.6	173.5	-169.6	169.3	0	112.6	E481 I482 P486	E481-K484 WeakPolarHBondContact O-CB 3.28Å; E481-K484 PolarHBondContact O-N 3.32Å; E481-K484 IonicContact OE1-NZ 3.98Å; E481-K484 PolarHBondContact OE1-NZ 3.01Å; E481-K484 IonicContact OE2-NZ 2.62Å; E481-K484 PolarHBondContact OE2-NZ 3.21Å; I482-K484 PolarHBondContact O-N 2.69Å; I482-K484 VanDerWaalsContact O-N 3.08Å; K484-P486 WeakPolarHBondContact O-CD 3.48Å
485	V	93	Very high	93.5	Very high	5 Å²	5	30 Å²	30	3%	0.03	16%	0.159	C	C	.	.			trans	-72.8	122.7	-174.8	-176.9	0	0	0	0	110.1	F462 I482 S483 S487 L488 L555 Q556	F462-V485 HydrophobicContact CE1-CG1 3.74Å; F462-V485 HydrophobicContact CZ-CB 4.26Å; F462-V485 HydrophobicContact CZ-CG1 3.8Å; I482-V485 WeakPolarHBondContact O-CB 3.44Å; I482-V485 VanDerWaalsContact O-CG2 3.28Å; I482-V485 WeakPolarHBondContact O-CG2 3.43Å; I482-V485 PolarHBondContact O-N 3.42Å; S483-V485 VanDerWaalsContact C-N 3.3Å; V485-S487 VanDerWaalsContact C-N 3.25Å; V485-S487 PolarHBondContact O-N 3.39Å; V485-L488 HydrophobicContact CB-CB 4.41Å; V485-L488 WeakPolarHBondContact O-CB 3.04Å; V485-L488 PolarHBondContact O-N 3.02Å; V485-L488 VanDerWaalsContact O-N 3.13Å; V485-L555 HydrophobicContact CG1-CB 4.39Å; V485-L555 HydrophobicContact CG2-CB 3.59Å; V485-L555 HydrophobicContact CG2-CD1 3.65Å; V485-L555 HydrophobicContact CG2-CG 4.27Å; V485-Q556 HydrophobicContact CG1-CB 4.25Å
486	P	90.1	Very high	93.5	Very high	108 Å²	108	30 Å²	30	70%	0.701	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-31.9	-175.5	-26.4	34.7	0	0	0	114.6	K484 L488	K484-P486 WeakPolarHBondContact O-CD 3.48Å; P486-L488 VanDerWaalsContact C-N 3.34Å
487	S	93.3	Very high	93.5	Very high	20 Å²	20	28.5 Å²	28.5	14%	0.14	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	3.3	-177.7	-55	0	0	0	0	114.1	G461 F462 V485 A489 Q556 Y559	G461-S487 CarbonylContact C-O 3.5Å; G461-S487 WeakPolarHBondContact CA-O 3.35Å; F462-S487 WeakPolarHBondContact CD1-O 3.09Å; F462-S487 PolarHBondContact N-O 3.3Å; V485-S487 VanDerWaalsContact C-N 3.25Å; V485-S487 PolarHBondContact O-N 3.39Å; S487-A489 PolarHBondContact O-N 3.27Å; S487-Q556 VanDerWaalsContact CB-OE1 3.27Å; S487-Q556 PolarHBondContact OG-NE2 2.96Å; S487-Q556 PolarHBondContact OG-OE1 3.36Å; S487-Y559 VanDerWaalsContact CB-CD1 3.49Å; S487-Y559 VanDerWaalsContact CB-CE1 3.45Å
488	L	94.6	Very high	93.6	Very high	11 Å²	11	27.4 Å²	27.4	6%	0.058	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	120.6	176.3	179.9	69.7	0	0	0	110.2	F462 A464 I482 V485 P486 K490 L491 V513	F462-L488 HydrophobicContact CD2-CD1 4.09Å; F462-L488 HydrophobicContact CE2-CB 4.49Å; F462-L488 HydrophobicContact CE2-CD1 3.62Å; F462-L488 HydrophobicContact CZ-CB 4.22Å; F462-L488 HydrophobicContact CZ-CD1 4.17Å; A464-L488 HydrophobicContact CB-CD1 3.7Å; I482-L488 HydrophobicContact CG2-CD1 3.91Å; I482-L488 HydrophobicContact CG2-CD2 3.88Å; I482-L488 HydrophobicContact CG2-CG 4.46Å; I482-L488 WeakPolarHBondContact O-CD2 3.5Å; V485-L488 HydrophobicContact CB-CB 4.41Å; V485-L488 WeakPolarHBondContact O-CB 3.04Å; V485-L488 PolarHBondContact O-N 3.02Å; V485-L488 VanDerWaalsContact O-N 3.13Å; P486-L488 VanDerWaalsContact C-N 3.34Å; L488-K490 WeakPolarHBondContact CD1-O 3.4Å; L488-L491 HydrophobicContact CD1-CD2 4.47Å; L488-L491 HydrophobicContact CD1-CG 4.42Å; L488-L491 HydrophobicContact CD2-CD1 4.13Å; L488-L491 HydrophobicContact CD2-CD2 4.42Å; L488-L491 HydrophobicContact CD2-CG 4.01Å; L488-V513 HydrophobicContact CD2-CB 4.41Å; L488-V513 HydrophobicContact CD2-CG1 4.14Å; L488-V513 HydrophobicContact CD2-CG2 3.6Å; L488-V513 HydrophobicContact CG-CG1 4.21Å; L488-V513 HydrophobicContact CG-CG2 4.18Å; L488-V513 WeakPolarHBondContact O-CG1 3.39Å
489	A	92.4	Very high	93.6	Very high	39 Å²	39	34.4 Å²	34.4	32%	0.322	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	-36.8	178.8	0	0	0	0	0	112.6	F462 S487 P514 T537	F462-A489 WeakPolarHBondContact O-CB 3.17Å; F462-A489 PolarHBondContact O-N 2.81Å; S487-A489 PolarHBondContact O-N 3.27Å; A489-P514 WeakPolarHBondContact O-CD 3.15Å; A489-T537 HydrophobicContact CB-CG2 3.64Å
490	K	94	Very high	93.5	Very high	26 Å²	26	39.2 Å²	39.2	11%	0.113	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	147	-175.3	-171.3	177.1	-64.8	176	0	111.5	T463 A464 L488 P514 E534 E536	T463-K490 WeakPolarHBondContact CA-O 3.41Å; T463-K490 HydrophobicContact CG2-CB 4.16Å; A464-K490 PolarHBondContact N-O 2.91Å; L488-K490 WeakPolarHBondContact CD1-O 3.4Å; K490-P514 HydrophobicContact CG-CB 4.37Å; K490-P514 WeakPolarHBondContact CG-O 3.16Å; K490-E534 HydrophobicContact CD-CB 4.42Å; K490-E534 VanDerWaalsContact CD-O 3.24Å; K490-E534 WeakPolarHBondContact CD-O 3.41Å; K490-E534 PolarHBondContact NZ-O 3.32Å; K490-E536 IonicContact NZ-OE1 3.74Å; K490-E536 PolarHBondContact NZ-OE1 2.87Å; K490-E536 IonicContact NZ-OE2 3.43Å; K490-E536 PolarHBondContact NZ-OE2 2.93Å
491	L	96.1	Very high	93.4	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	123.4	170	-79.2	161.9	0	0	0	110.1	A464 I479 I482 L488 V511 V513 P514 L515 K516	A464-L491 HydrophobicContact CB-CD2 3.75Å; I479-L491 HydrophobicContact CG2-CD1 4.07Å; I482-L491 HydrophobicContact CG2-CD2 4.16Å; L488-L491 HydrophobicContact CD1-CD2 4.47Å; L488-L491 HydrophobicContact CD1-CG 4.42Å; L488-L491 HydrophobicContact CD2-CD1 4.13Å; L488-L491 HydrophobicContact CD2-CD2 4.42Å; L488-L491 HydrophobicContact CD2-CG 4.01Å; L491-V511 HydrophobicContact CD1-CG2 4.3Å; L491-V513 HydrophobicContact CD1-CG2 3.75Å; L491-V513 HydrophobicContact CG-CG2 4.14Å; L491-P514 PolarHBondContact N-O 3.04Å; L491-L515 HydrophobicContact CB-CB 4.33Å; L491-L515 HydrophobicContact CB-CG 4.19Å; L491-L515 HydrophobicContact CD1-CD1 4.4Å; L491-L515 CarbonylContact O-C 3.48Å; L491-L515 WeakPolarHBondContact O-CA 3.47Å; L491-K516 PolarHBondContact O-N 3.01Å
492	L	97.1	Very high	93.6	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	114	174.4	-177.9	64.2	0	0	0	109.5	T463 A464 V465 V466 K516 V518 Y532 E534 I535	T463-L492 HydrophobicContact CG2-CB 4.31Å; A464-L492 PolarHBondContact O-N 3.4Å; V465-L492 WeakPolarHBondContact CA-O 3.13Å; V465-L492 HydrophobicContact CG2-CB 4.34Å; V465-L492 HydrophobicContact CG2-CD2 4.26Å; V466-L492 PolarHBondContact N-O 3.49Å; L492-K516 WeakPolarHBondContact CA-O 3.49Å; L492-K516 HydrophobicContact CD1-CB 4.07Å; L492-K516 HydrophobicContact CD1-CG 4.1Å; L492-V518 HydrophobicContact CD1-CB 4.47Å; L492-V518 HydrophobicContact CD1-CG2 3.64Å; L492-Y532 HydrophobicContact CD2-CD2 3.6Å; L492-Y532 HydrophobicContact CD2-CE2 4.39Å; L492-Y532 HydrophobicContact CD2-CG 3.89Å; L492-E534 HydrophobicContact CD1-CB 4.22Å; L492-I535 HydrophobicContact CD2-CD1 4.17Å; L492-I535 HydrophobicContact CD2-CG1 3.86Å
493	I	97.4	Very high	93.6	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	115.1	178.4	-46.5	-57.7	0	0	0	108.8	V466 T468 L475 I479 W495 W508 L515 K516 V517 V518	V466-I493 HydrophobicContact CB-CD1 3.91Å; V466-I493 HydrophobicContact CG2-CD1 3.93Å; T468-I493 HydrophobicContact CG2-CG2 3.83Å; L475-I493 HydrophobicContact CD1-CD1 4.31Å; L475-I493 HydrophobicContact CD1-CG2 4.33Å; L475-I493 HydrophobicContact CD2-CG2 4.21Å; I479-I493 HydrophobicContact CD1-CD1 3.91Å; I479-I493 HydrophobicContact CD1-CG1 4.44Å; I479-I493 HydrophobicContact CG1-CD1 4.08Å; I493-W495 PolarHBondContact O-N 3.07Å; I493-W508 HydrophobicContact CB-CH2 4.37Å; I493-W508 HydrophobicContact CB-CZ3 4.45Å; I493-W508 HydrophobicContact CG1-CH2 4.26Å; I493-W508 HydrophobicContact CG1-CZ3 3.85Å; I493-W508 HydrophobicContact CG2-CH2 4.04Å; I493-W508 HydrophobicContact CG2-CZ3 4.33Å; I493-L515 HydrophobicContact CG1-CD2 4.32Å; I493-L515 HydrophobicContact CG1-CG 4.43Å; I493-K516 PolarHBondContact N-O 2.67Å; I493-V517 HydrophobicContact CB-CG2 4.23Å; I493-V517 HydrophobicContact CG1-CG2 4.46Å; I493-V517 WeakPolarHBondContact O-CA 2.91Å; I493-V518 PolarHBondContact O-N 3.37Å
494	V	97	Very high	93.5	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	99.1	176.5	-176.4	0	0	0	0	107.6	V465 V466 L467 T468 N496 T520 N527 Y532	V465-V494 HydrophobicContact CG1-CG2 3.77Å; V466-V494 PolarHBondContact O-N 3.24Å; L467-V494 HydrophobicContact CD1-CB 3.79Å; L467-V494 HydrophobicContact CD1-CG1 3.49Å; L467-V494 VanDerWaalsContact CD1-CG1 3.49Å; T468-V494 PolarHBondContact N-O 2.75Å; V494-N496 PolarHBondContact O-N 2.75Å; V494-T520 HydrophobicContact CG1-CG2 3.39Å; V494-N527 HydrophobicContact CG1-CB 3.96Å; V494-Y532 HydrophobicContact CG2-CE2 3.8Å
495	W	96.3	Very high	93.2	Very high	7 Å²	7	48.1 Å²	48.1	3%	0.027	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	105.1	-177.4	-172.6	-90.3	0	0	0	110.4	T468 I472 I493 N497 K500 P502 V517 V518 T520	T468-W495 HydrophobicContact CG2-CD2 4.39Å; T468-W495 HydrophobicContact CG2-CE3 3.63Å; T468-W495 HydrophobicContact CG2-CZ3 4.05Å; I472-W495 HydrophobicContact CD1-CH2 4.3Å; I472-W495 HydrophobicContact CG1-CH2 4.11Å; I493-W495 PolarHBondContact O-N 3.07Å; W495-N497 VanDerWaalsContact CD1-O 3.25Å; W495-N497 PolarHBondContact NE1-O 3.09Å; W495-K500 PolarHBondContact NE1-O 2.8Å; W495-P502 HydrophobicContact CB-CG 4.29Å; W495-P502 HydrophobicContact CD2-CB 4.08Å; W495-P502 HydrophobicContact CD2-CG 3.65Å; W495-P502 HydrophobicContact CE3-CB 4.12Å; W495-P502 HydrophobicContact CE3-CG 4.16Å; W495-P502 HydrophobicContact CG-CG 3.69Å; W495-P502 HydrophobicContact CZ3-CB 4.38Å; W495-V517 HydrophobicContact CB-CG1 4.04Å; W495-V518 WeakPolarHBondContact CB-O 3.42Å; W495-V518 PolarHBondContact N-O 3.05Å; W495-T520 PolarHBondContact O-N 2.91Å; W495-T520 VanDerWaalsContact O-N 3.08Å; W495-T520 PolarHBondContact O-OG1 3.03Å
496	N	94.3	Very high	93	Very high	2 Å²	2	52.2 Å²	52.2	1%	0.011	29%	0.289	C	S	.	.			trans	-95.9	3.3	-170	-139.3	22.2	0	0	0	114.5	L467 T468 V494 Q498 T520 E522 N523 K524 N527	L467-N496 HydrophobicContact CD1-CB 3.9Å; L467-N496 HydrophobicContact CG-CB 4.48Å; T468-N496 VanDerWaalsContact O-CB 3.28Å; T468-N496 WeakPolarHBondContact O-CB 3.4Å; T468-N496 PolarHBondContact O-N 3.29Å; V494-N496 PolarHBondContact O-N 2.75Å; N496-Q498 PolarHBondContact O-NE2 2.86Å; N496-Q498 PolarHBondContact O-OE1 3.27Å; N496-T520 WeakPolarHBondContact CA-OG1 3.03Å; N496-T520 PolarHBondContact OD1-OG1 2.91Å; N496-E522 PolarHBondContact OD1-O 3.02Å; N496-N523 PolarHBondContact ND2-OD1 2.91Å; N496-K524 PolarHBondContact ND2-N 3.49Å; N496-K524 PolarHBondContact ND2-O 2.87Å; N496-K524 PolarHBondContact OD1-N 3.24Å; N496-N527 PolarHBondContact OD1-ND2 3.08Å
497	N	93.2	Very high	93.1	Very high	8 Å²	8	52.4 Å²	52.4	4%	0.043	28%	0.283	C	S	.	.			trans	-100.4	112.7	-178.7	-169.9	-29.1	0	0	0	111	Y469 W495 N499 K500	Y469-N497 HydrophobicContact CD2-CB 4.08Å; Y469-N497 HydrophobicContact CE2-CB 4.23Å; W495-N497 VanDerWaalsContact CD1-O 3.25Å; W495-N497 PolarHBondContact NE1-O 3.09Å; N497-N499 WeakPolarHBondContact OD1-CA 3.09Å; N497-N499 WeakPolarHBondContact OD1-CB 3.39Å; N497-N499 PolarHBondContact OD1-N 3.49Å; N497-K500 PolarHBondContact OD1-N 2.76Å
498	Q	93.1	Very high	93	Very high	82 Å²	82	52.7 Å²	52.7	38%	0.383	28%	0.281	S	S	.	.	S	Bend	trans	-82.2	-21.8	179.6	-67.3	65.3	49.2	0	0	112.4	N496 T520 K521 N523	N496-Q498 PolarHBondContact O-NE2 2.86Å; N496-Q498 PolarHBondContact O-OE1 3.27Å; Q498-T520 PolarHBondContact NE2-O 3.25Å; Q498-T520 PolarHBondContact NE2-OG1 2.5Å; Q498-K521 WeakPolarHBondContact CG-O 3.25Å; Q498-N523 VanDerWaalsContact OE1-N 3.13Å
499	N	91.8	Very high	92.9	Very high	147 Å²	147	53.4 Å²	53.4	79%	0.786	29%	0.287	S	S	*	.	S	Bend	trans	-84.5	-24.2	-176.7	-63	-29.5	0	0	0	112.5	N497	N497-N499 WeakPolarHBondContact OD1-CA 3.09Å; N497-N499 WeakPolarHBondContact OD1-CB 3.39Å; N497-N499 PolarHBondContact OD1-N 3.49Å
500	K	91.3	Very high	92.7	Very high	101 Å²	101	61.8 Å²	61.8	44%	0.439	32%	0.316	S	S	.	.	S	Bend	trans	-121	130.3	179.9	-66.7	178.4	176.3	167.8	0	109.9	D470 W495 N497	D470-K500 WeakPolarHBondContact OD1-CD 3.42Å; D470-K500 IonicContact OD1-NZ 2.65Å; D470-K500 PolarHBondContact OD1-NZ 3.43Å; D470-K500 IonicContact OD2-NZ 2.77Å; D470-K500 PolarHBondContact OD2-NZ 2.7Å; W495-K500 PolarHBondContact NE1-O 2.8Å; N497-K500 PolarHBondContact OD1-N 2.76Å
501	S	90.4	Very high	92.6	Very high	84 Å²	84	62.2 Å²	62.2	59%	0.587	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-72.2	148.8	170.6	-75	0	0	0	0	110.8	R519	S501-R519 PolarHBondContact OG-NH1 3.3Å
502	P	92.6	Very high	92.1	Very high	19 Å²	19	66.4 Å²	66.4	12%	0.123	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-50.4	145.3	166.3	-21.9	27.6	0	0	0	111.8	W495 W508 V517 R519	W495-P502 HydrophobicContact CB-CG 4.29Å; W495-P502 HydrophobicContact CD2-CB 4.08Å; W495-P502 HydrophobicContact CD2-CG 3.65Å; W495-P502 HydrophobicContact CE3-CB 4.12Å; W495-P502 HydrophobicContact CE3-CG 4.16Å; W495-P502 HydrophobicContact CG-CG 3.69Å; W495-P502 HydrophobicContact CZ3-CB 4.38Å; P502-W508 HydrophobicContact CB-CZ2 4.29Å; P502-V517 HydrophobicContact CB-CG1 4.19Å; P502-V517 HydrophobicContact CG-CG1 3.95Å; P502-R519 VanDerWaalsContact CD-CZ 3.42Å; P502-R519 HydrophobicContact CG-CG 4.07Å
503	P	92.7	Very high	91.7	Very high	27 Å²	27	67.8 Å²	67.8	18%	0.175	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-56	155.8	173.7	-24	33.7	0	0	0	112.5	I472 F476 L507 W508	I472-P503 HydrophobicContact CD1-CG 3.93Å; I472-P503 HydrophobicContact CG1-CG 4.35Å; I472-P503 HydrophobicContact CG2-CG 4.03Å; F476-P503 HydrophobicContact CZ-CG 4.29Å; P503-L507 HydrophobicContact CB-CB 4.37Å; P503-L507 HydrophobicContact CB-CD1 4.17Å; P503-W508 PolarHBondContact O-NE1 3.04Å
504	E	90.8	Very high	91.5	Very high	147 Å²	147	71.6 Å²	71.6	69%	0.687	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-55.9	142.1	171.1	-67.8	-168.4	171.2	0	0	111.2	S506 L507	E504-S506 PolarHBondContact O-N 2.84Å; E504-L507 WeakPolarHBondContact O-CB 3.13Å; E504-L507 PolarHBondContact O-N 3.45Å
505	E	86.4	Confident	91.4	Very high	177 Å²	177	74 Å²	74	83%	0.827	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-55.3	-28.4	-175.5	-165.7	172	180	0	0	113.2	L507 W508	E505-L507 VanDerWaalsContact C-N 3.25Å; E505-L507 PolarHBondContact O-N 3.45Å; E505-W508 PolarHBondContact O-N 2.72Å
506	S	88.6	Confident	91.3	Very high	92 Å²	92	78.5 Å²	78.5	64%	0.643	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-62.6	-26.6	176.3	58.4	0	0	0	0	114.3	E504	E504-S506 PolarHBondContact O-N 2.84Å
507	L	91.4	Very high	91.4	Very high	112 Å²	112	80.4 Å²	80.4	59%	0.586	44%	0.441	S	S	*	.	G	3₁₀ helix	trans	-86.7	-13.4	-178.7	-63.7	173.4	0	0	0	112.9	F476 P503 E504 E505	F476-L507 WeakPolarHBondContact CE2-O 3.34Å; P503-L507 HydrophobicContact CB-CB 4.37Å; P503-L507 HydrophobicContact CB-CD1 4.17Å; E504-L507 WeakPolarHBondContact O-CB 3.13Å; E504-L507 PolarHBondContact O-N 3.45Å; E505-L507 VanDerWaalsContact C-N 3.25Å; E505-L507 PolarHBondContact O-N 3.45Å
508	W	92.5	Very high	91.5	Very high	25 Å²	25	81.2 Å²	81.2	10%	0.095	45%	0.446	C	S	.	.	S	Bend	trans	-73.7	148.3	-178.1	-70	71.5	0	0	0	111.3	L475 F476 I479 I493 P502 P503 E505 K510 L515 V517	L475-W508 HydrophobicContact CD2-CH2 4.12Å; L475-W508 HydrophobicContact CD2-CZ3 4.15Å; F476-W508 HydrophobicContact CD1-CE3 4.45Å; F476-W508 AromaticContact CE1-CD2 3.9Å; F476-W508 HydrophobicContact CE1-CD2 3.9Å; F476-W508 AromaticContact CE1-CE3 3.81Å; F476-W508 HydrophobicContact CE1-CE3 3.81Å; F476-W508 HydrophobicContact CE1-CG 4.31Å; F476-W508 HydrophobicContact CE1-CZ3 4.15Å; F476-W508 HydrophobicContact CZ-CD2 4.36Å; F476-W508 HydrophobicContact CZ-CG 4.39Å; I479-W508 HydrophobicContact CD1-CE3 3.89Å; I479-W508 HydrophobicContact CD1-CZ3 3.67Å; I493-W508 HydrophobicContact CB-CH2 4.37Å; I493-W508 HydrophobicContact CB-CZ3 4.45Å; I493-W508 HydrophobicContact CG1-CH2 4.26Å; I493-W508 HydrophobicContact CG1-CZ3 3.85Å; I493-W508 HydrophobicContact CG2-CH2 4.04Å; I493-W508 HydrophobicContact CG2-CZ3 4.33Å; P502-W508 HydrophobicContact CB-CZ2 4.29Å; P503-W508 PolarHBondContact O-NE1 3.04Å; E505-W508 PolarHBondContact O-N 2.72Å; W508-K510 PolarHBondContact O-N 2.79Å; W508-L515 HydrophobicContact CD2-CD2 4.5Å; W508-L515 HydrophobicContact CE3-CD1 4.02Å; W508-L515 HydrophobicContact CE3-CD2 3.98Å; W508-L515 HydrophobicContact CZ3-CD2 4.23Å; W508-V517 HydrophobicContact CH2-CG2 3.54Å; W508-V517 HydrophobicContact CZ2-CG2 3.6Å; W508-V517 HydrophobicContact CZ3-CG2 4.12Å
509	P	91.9	Very high	91.6	Very high	27 Å²	27	84.8 Å²	84.8	18%	0.175	46%	0.456	C	S	.	.			trans	-56.3	132.8	173.7	-24.1	33.3	0	0	0	111.5	F476 I479 V511	F476-P509 HydrophobicContact CB-CG 3.72Å; F476-P509 HydrophobicContact CD1-CG 4.11Å; F476-P509 HydrophobicContact CD2-CG 4.44Å; F476-P509 HydrophobicContact CG-CG 3.86Å; I479-P509 HydrophobicContact CB-CG 4.43Å; I479-P509 HydrophobicContact CG2-CB 4.09Å; I479-P509 HydrophobicContact CG2-CG 4.1Å; P509-V511 HydrophobicContact CB-CG1 4.38Å; P509-V511 PolarHBondContact O-N 3.02Å
510	K	88.5	Confident	91.7	Very high	214 Å²	214	78.5 Å²	78.5	93%	0.93	42%	0.423	S	S	*	.			trans	-75.4	107.7	175.4	-65.6	-175.5	-178.9	-179.5	0	109.4	W508	W508-K510 PolarHBondContact O-N 2.79Å
511	V	91.8	Very high	91.8	Very high	36 Å²	36	83.3 Å²	83.3	22%	0.218	44%	0.444	C	S	.	.			trans	-115.1	152.3	-177.9	-64.9	0	0	0	0	111.3	I479 S483 L491 P509 V513 L515	I479-V511 HydrophobicContact CG2-CG1 3.76Å; S483-V511 VanDerWaalsContact CB-CG1 3.48Å; L491-V511 HydrophobicContact CD1-CG2 4.3Å; P509-V511 HydrophobicContact CB-CG1 4.38Å; P509-V511 PolarHBondContact O-N 3.02Å; V511-V513 VanDerWaalsContact C-N 3.25Å; V511-V513 HydrophobicContact CB-CG2 4.42Å; V511-V513 HydrophobicContact CG2-CG2 4.21Å; V511-V513 PolarHBondContact O-N 3.35Å; V511-L515 HydrophobicContact CG2-CB 4.28Å; V511-L515 HydrophobicContact CG2-CD1 4.24Å
512	G	85.9	Confident	91.9	Very high	87 Å²	87	84.4 Å²	84.4	90%	0.897	44%	0.44	S	S	*	.	S	Bend	trans	-80.1	0.4	-179.5	0	0	0	0	0	115
513	V	88.8	Confident	92	Very high	30 Å²	30	86 Å²	86	18%	0.182	45%	0.447	C	S	.	.	S	Bend	trans	-116.5	153.9	-178.3	-62.6	0	0	0	0	110.9	L488 L491 V511 L515	L488-V513 HydrophobicContact CD2-CB 4.41Å; L488-V513 HydrophobicContact CD2-CG1 4.14Å; L488-V513 HydrophobicContact CD2-CG2 3.6Å; L488-V513 HydrophobicContact CG-CG1 4.21Å; L488-V513 HydrophobicContact CG-CG2 4.18Å; L488-V513 WeakPolarHBondContact O-CG1 3.39Å; L491-V513 HydrophobicContact CD1-CG2 3.75Å; L491-V513 HydrophobicContact CG-CG2 4.14Å; V511-V513 VanDerWaalsContact C-N 3.25Å; V511-V513 HydrophobicContact CB-CG2 4.42Å; V511-V513 HydrophobicContact CG2-CG2 4.21Å; V511-V513 PolarHBondContact O-N 3.35Å; V513-L515 PolarHBondContact O-N 3.28Å
514	P	92.6	Very high	92.1	Very high	80 Å²	80	87.4 Å²	87.4	52%	0.519	45%	0.451	S	S	.	.			trans	-58.3	126.1	173.2	-22.7	33.3	0	0	0	111.7	A489 K490 L491	A489-P514 WeakPolarHBondContact O-CD 3.15Å; K490-P514 HydrophobicContact CG-CB 4.37Å; K490-P514 WeakPolarHBondContact CG-O 3.16Å; L491-P514 PolarHBondContact N-O 3.04Å
515	L	94.8	Very high	92.1	Very high	51 Å²	51	81.6 Å²	81.6	27%	0.267	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	126	175.6	-174.3	155.7	0	0	0	109.3	I479 L491 I493 W508 V511 V513 V517	I479-L515 HydrophobicContact CD1-CD1 4.28Å; I479-L515 HydrophobicContact CG2-CD1 4.11Å; L491-L515 HydrophobicContact CB-CB 4.33Å; L491-L515 HydrophobicContact CB-CG 4.19Å; L491-L515 HydrophobicContact CD1-CD1 4.4Å; L491-L515 CarbonylContact O-C 3.48Å; L491-L515 WeakPolarHBondContact O-CA 3.47Å; I493-L515 HydrophobicContact CG1-CD2 4.32Å; I493-L515 HydrophobicContact CG1-CG 4.43Å; W508-L515 HydrophobicContact CD2-CD2 4.5Å; W508-L515 HydrophobicContact CE3-CD1 4.02Å; W508-L515 HydrophobicContact CE3-CD2 3.98Å; W508-L515 HydrophobicContact CZ3-CD2 4.23Å; V511-L515 HydrophobicContact CG2-CB 4.28Å; V511-L515 HydrophobicContact CG2-CD1 4.24Å; V513-L515 PolarHBondContact O-N 3.28Å; L515-V517 HydrophobicContact CD2-CG2 3.88Å
516	K	95.1	Very high	92.5	Very high	101 Å²	101	73.3 Å²	73.3	44%	0.439	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	135.6	176.7	-176.5	71.2	173.8	-175.5	0	110.5	L491 L492 I493 V518 E534	L491-K516 PolarHBondContact O-N 3.01Å; L492-K516 WeakPolarHBondContact CA-O 3.49Å; L492-K516 HydrophobicContact CD1-CB 4.07Å; L492-K516 HydrophobicContact CD1-CG 4.1Å; I493-K516 PolarHBondContact N-O 2.67Å; K516-V518 HydrophobicContact CG-CG2 4.25Å; K516-E534 HydrophobicContact CG-CG 4.11Å
517	V	96	Very high	92.9	Very high	41 Å²	41	70.2 Å²	70.2	25%	0.248	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	126.1	172	-173.6	0	0	0	0	109.4	I493 W495 P502 W508 L515	I493-V517 HydrophobicContact CB-CG2 4.23Å; I493-V517 HydrophobicContact CG1-CG2 4.46Å; I493-V517 WeakPolarHBondContact O-CA 2.91Å; W495-V517 HydrophobicContact CB-CG1 4.04Å; P502-V517 HydrophobicContact CB-CG1 4.19Å; P502-V517 HydrophobicContact CG-CG1 3.95Å; W508-V517 HydrophobicContact CH2-CG2 3.54Å; W508-V517 HydrophobicContact CZ2-CG2 3.6Å; W508-V517 HydrophobicContact CZ3-CG2 4.12Å; L515-V517 HydrophobicContact CD2-CG2 3.88Å
518	V	95	Very high	93	Very high	25 Å²	25	65.1 Å²	65.1	15%	0.152	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	125.4	175.4	176.8	0	0	0	0	109.1	L492 I493 W495 K516 Y532	L492-V518 HydrophobicContact CD1-CB 4.47Å; L492-V518 HydrophobicContact CD1-CG2 3.64Å; I493-V518 PolarHBondContact O-N 3.37Å; W495-V518 WeakPolarHBondContact CB-O 3.42Å; W495-V518 PolarHBondContact N-O 3.05Å; K516-V518 HydrophobicContact CG-CG2 4.25Å; V518-Y532 HydrophobicContact CB-CE1 4.41Å; V518-Y532 HydrophobicContact CG1-CD1 4.04Å; V518-Y532 HydrophobicContact CG1-CE1 3.62Å
519	R	94.8	Very high	93.2	Very high	157 Å²	157	63.9 Å²	63.9	59%	0.592	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.5	126.1	178.5	-60.4	-177.1	-170.8	-165	-0.4	110	S501 P502	S501-R519 PolarHBondContact OG-NH1 3.3Å; P502-R519 VanDerWaalsContact CD-CZ 3.42Å; P502-R519 HydrophobicContact CG-CG 4.07Å
520	T	94.2	Very high	93.4	Very high	16 Å²	16	66.5 Å²	66.5	10%	0.098	34%	0.339	C	S	.	.			trans	-86.1	153.7	178.5	68	0	0	0	0	111.2	V494 W495 N496 Q498 E522 N527	V494-T520 HydrophobicContact CG1-CG2 3.39Å; W495-T520 PolarHBondContact O-N 2.91Å; W495-T520 VanDerWaalsContact O-N 3.08Å; W495-T520 PolarHBondContact O-OG1 3.03Å; N496-T520 WeakPolarHBondContact CA-OG1 3.03Å; N496-T520 PolarHBondContact OD1-OG1 2.91Å; Q498-T520 PolarHBondContact NE2-O 3.25Å; Q498-T520 PolarHBondContact NE2-OG1 2.5Å; T520-E522 PolarHBondContact OG1-O 2.74Å; T520-N527 WeakPolarHBondContact CB-ND2 3.48Å; T520-N527 HydrophobicContact CG2-CB 3.85Å; T520-N527 WeakPolarHBondContact CG2-ND2 3.37Å
521	K	92.8	Very high	93.7	Very high	201 Å²	201	57.9 Å²	57.9	87%	0.874	31%	0.305	S	S	*	.	S	Bend	trans	-72.8	-32.5	178.7	-65.3	-177.8	-179.6	178.4	0	112.8	Q498	Q498-K521 WeakPolarHBondContact CG-O 3.25Å
522	E	93.4	Very high	93.9	Very high	107 Å²	107	57.5 Å²	57.5	50%	0.5	30%	0.3	S	S	.	.	S	Bend	trans	-144.4	149.6	-174.6	-65.8	174.6	177.5	0	0	109.1	N496 T520 K524 N527	N496-E522 PolarHBondContact OD1-O 3.02Å; T520-E522 PolarHBondContact OG1-O 2.74Å; E522-K524 HydrophobicContact CB-CG 4.46Å; E522-K524 PolarHBondContact O-N 3.29Å; E522-K524 VanDerWaalsContact O-N 3.1Å; E522-K524 WeakPolarHBondContact OE2-CE 3.48Å; E522-K524 IonicContact OE2-NZ 3.84Å; E522-K524 PolarHBondContact OE2-NZ 3.46Å; E522-N527 PolarHBondContact O-ND2 3.45Å
523	N	93.4	Very high	94.1	Very high	54 Å²	54	60.7 Å²	60.7	29%	0.289	30%	0.296	S	S	.	.			trans	-72.3	98	174.6	-178.7	18.9	0	0	0	110.4	Y469 N496 Q498	Y469-N523 HydrophobicContact CE2-CB 4.48Å; Y469-N523 WeakPolarHBondContact CE2-ND2 3.5Å; N496-N523 PolarHBondContact ND2-OD1 2.91Å; Q498-N523 VanDerWaalsContact OE1-N 3.13Å
524	K	94.6	Very high	94.3	Very high	56 Å²	56	61.8 Å²	61.8	24%	0.243	30%	0.299	C	S	.	.			trans	-132.9	139.5	176.4	-67.1	178.3	174.9	167.2	0	110.9	N496 E522 S526 N527 D627	N496-K524 PolarHBondContact ND2-N 3.49Å; N496-K524 PolarHBondContact ND2-O 2.87Å; N496-K524 PolarHBondContact OD1-N 3.24Å; E522-K524 HydrophobicContact CB-CG 4.46Å; E522-K524 PolarHBondContact O-N 3.29Å; E522-K524 VanDerWaalsContact O-N 3.1Å; E522-K524 WeakPolarHBondContact OE2-CE 3.48Å; E522-K524 IonicContact OE2-NZ 3.84Å; E522-K524 PolarHBondContact OE2-NZ 3.46Å; K524-S526 VanDerWaalsContact C-N 3.32Å; K524-N527 PolarHBondContact N-ND2 3Å; K524-N527 WeakPolarHBondContact O-CB 3.43Å; K524-N527 PolarHBondContact O-N 2.99Å; K524-N527 PolarHBondContact O-ND2 3.06Å; K524-D627 HydrophobicContact CD-CB 4.13Å; K524-D627 HydrophobicContact CG-CB 4.49Å
525	L	92.6	Very high	94.3	Very high	24 Å²	24	58.7 Å²	58.7	13%	0.126	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-67.1	-34.4	175.9	-64.8	-173.6	0	0	0	112.3	L467 N527 R528 M630 E633	L467-L525 HydrophobicContact CD2-CD2 4.1Å; L525-N527 PolarHBondContact O-N 2.89Å; L525-N527 VanDerWaalsContact O-N 3.12Å; L525-R528 PolarHBondContact O-N 3.23Å; L525-M630 WeakPolarHBondContact CD1-O 3.35Å; L525-M630 HydrophobicContact CD2-CE 4.21Å; L525-M630 HydrophobicContact CG-CE 4.05Å; L525-M630 HydrophobicContact CG-SD 4.36Å; L525-E633 HydrophobicContact CB-CB 4.22Å; L525-E633 HydrophobicContact CB-CG 4.06Å; L525-E633 WeakPolarHBondContact CD1-OE2 3.35Å
526	S	94.4	Very high	93.9	Very high	3 Å²	3	62.6 Å²	62.6	2%	0.021	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-66.2	-13.5	179.5	70.9	0	0	0	0	114.3	K524 R528 F529 K623 D627	K524-S526 VanDerWaalsContact C-N 3.32Å; S526-R528 PolarHBondContact O-N 2.86Å; S526-R528 VanDerWaalsContact O-N 3.07Å; S526-F529 PolarHBondContact O-N 2.69Å; S526-K623 PolarHBondContact OG-NZ 3.07Å; S526-D627 WeakPolarHBondContact CB-OD1 3.44Å; S526-D627 PolarHBondContact OG-OD1 3.34Å
527	N	95.5	Very high	93.6	Very high	28 Å²	28	58.1 Å²	58.1	15%	0.15	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-58.3	-24.3	179.5	-73.7	-25.2	0	0	0	113	L467 V494 N496 T520 E522 K524 L525 F529 F530 Y532	L467-N527 HydrophobicContact CD1-CB 4.32Å; V494-N527 HydrophobicContact CG1-CB 3.96Å; N496-N527 PolarHBondContact OD1-ND2 3.08Å; T520-N527 WeakPolarHBondContact CB-ND2 3.48Å; T520-N527 HydrophobicContact CG2-CB 3.85Å; T520-N527 WeakPolarHBondContact CG2-ND2 3.37Å; E522-N527 PolarHBondContact O-ND2 3.45Å; K524-N527 PolarHBondContact N-ND2 3Å; K524-N527 WeakPolarHBondContact O-CB 3.43Å; K524-N527 PolarHBondContact O-N 2.99Å; K524-N527 PolarHBondContact O-ND2 3.06Å; L525-N527 PolarHBondContact O-N 2.89Å; L525-N527 VanDerWaalsContact O-N 3.12Å; N527-F529 VanDerWaalsContact C-N 3.27Å; N527-F529 PolarHBondContact O-N 3.31Å; N527-F530 PolarHBondContact O-N 3.08Å; N527-Y532 WeakPolarHBondContact O-CE2 3.34Å; N527-Y532 PolarHBondContact O-OH 3.29Å
528	R	94.9	Very high	93.3	Very high	4 Å²	4	60 Å²	60	2%	0.015	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-72.5	-18.4	175.9	78.8	-178.3	-176.7	-166.3	-7.6	114.2	V465 L467 L525 S526 D544 T601 E633	V465-R528 HydrophobicContact CG1-CB 4.32Å; L467-R528 HydrophobicContact CB-CB 4.03Å; L467-R528 HydrophobicContact CD1-CB 4.44Å; L467-R528 HydrophobicContact CD2-CB 4.43Å; L525-R528 PolarHBondContact O-N 3.23Å; S526-R528 PolarHBondContact O-N 2.86Å; S526-R528 VanDerWaalsContact O-N 3.07Å; R528-D544 IonicContact NH1-OD1 3.94Å; R528-D544 PolarHBondContact NH1-OD1 3.01Å; R528-T601 PolarHBondContact NH2-OG1 2.95Å; R528-E633 IonicContact CZ-OE1 2.73Å; R528-E633 IonicContact NH1-OE1 3.88Å; R528-E633 IonicContact NH2-OE1 2.82Å; R528-E633 PolarHBondContact NH2-OE1 2.89Å
529	F	96.8	Very high	93.2	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-100.6	5.2	178.6	-55.3	-50	0	0	0	113	S526 N527 T601 Y606 N611 Y614 T615 E633 M637	S526-F529 PolarHBondContact O-N 2.69Å; N527-F529 VanDerWaalsContact C-N 3.27Å; N527-F529 PolarHBondContact O-N 3.31Å; F529-T601 HydrophobicContact CE1-CG2 4.33Å; F529-T601 HydrophobicContact CZ-CG2 4.18Å; F529-T601 WeakPolarHBondContact CZ-OG1 3.29Å; F529-Y606 HydrophobicContact CE1-CE1 4.36Å; F529-N611 WeakPolarHBondContact CA-OD1 3.49Å; F529-N611 CarbonylContact O-C 3.6Å; F529-N611 VanDerWaalsContact O-CA 3.22Å; F529-N611 WeakPolarHBondContact O-CA 3.5Å; F529-N611 WeakPolarHBondContact O-CB 3.39Å; F529-N611 PolarHBondContact O-OD1 3.06Å; F529-Y614 HydrophobicContact CB-CD1 3.9Å; F529-Y614 HydrophobicContact CB-CE1 4.41Å; F529-Y614 HydrophobicContact CB-CG 4.05Å; F529-Y614 HydrophobicContact CD2-CD1 4.02Å; F529-Y614 HydrophobicContact CD2-CD2 4.07Å; F529-Y614 AromaticContact CD2-CE1 3.77Å; F529-Y614 HydrophobicContact CD2-CE1 3.77Å; F529-Y614 AromaticContact CD2-CE2 3.79Å; F529-Y614 HydrophobicContact CD2-CE2 3.79Å; F529-Y614 HydrophobicContact CD2-CG 4.18Å; F529-Y614 AromaticContact CD2-CZ 3.64Å; F529-Y614 AromaticContact CE2-CE2 3.99Å; F529-Y614 HydrophobicContact CE2-CE2 3.99Å; F529-Y614 HydrophobicContact CG-CD1 4.36Å; F529-Y614 HydrophobicContact CG-CD2 4.48Å; F529-Y614 HydrophobicContact CG-CG 4.35Å; F529-T615 PolarHBondContact O-OG1 3.34Å; F529-E633 HydrophobicContact CE2-CB 3.87Å; F529-E633 HydrophobicContact CE2-CG 3.72Å; F529-E633 HydrophobicContact CZ-CG 4.26Å; F529-M637 HydrophobicContact CB-CE 4.07Å; F529-M637 HydrophobicContact CD1-CE 3.31Å; F529-M637 HydrophobicContact CD2-CE 4.01Å; F529-M637 HydrophobicContact CE1-CE 3.59Å; F529-M637 HydrophobicContact CE2-CE 4.23Å; F529-M637 HydrophobicContact CG-CE 3.54Å; F529-M637 HydrophobicContact CZ-CB 4.39Å; F529-M637 HydrophobicContact CZ-CE 4.03Å
530	F	96.3	Very high	93.3	Very high	82 Å²	82	51.4 Å²	51.4	36%	0.36	25%	0.247	S	C	.	.	S	Bend	trans	-67.4	135.7	174.4	-172.1	-94.4	0	0	0	109.6	N527 Y532 T615	N527-F530 PolarHBondContact O-N 3.08Å; F530-Y532 HydrophobicContact CB-CD2 4.25Å; F530-Y532 HydrophobicContact CB-CE1 4.34Å; F530-Y532 HydrophobicContact CB-CE2 3.73Å; F530-Y532 AromaticContact CD1-CD1 3.65Å; F530-Y532 HydrophobicContact CD1-CD1 3.65Å; F530-Y532 HydrophobicContact CD1-CD2 4.26Å; F530-Y532 AromaticContact CD1-CE1 3.64Å; F530-Y532 HydrophobicContact CD1-CE1 3.64Å; F530-Y532 HydrophobicContact CD1-CE2 4.27Å; F530-Y532 AromaticContact CD1-CG 3.96Å; F530-Y532 HydrophobicContact CD1-CG 3.96Å; F530-Y532 AromaticContact CD1-CZ 3.96Å; F530-Y532 HydrophobicContact CE1-CD1 4.27Å; F530-Y532 HydrophobicContact CE1-CE1 4.42Å; F530-Y532 HydrophobicContact CG-CE1 4.33Å; F530-Y532 HydrophobicContact CG-CE2 4.49Å; F530-Y532 WeakPolarHBondContact O-CD2 3.43Å; F530-Y532 PolarHBondContact O-N 3.27Å; F530-T615 HydrophobicContact CD2-CG2 3.84Å; F530-T615 HydrophobicContact CE2-CG2 4.07Å
531	P	94.8	Very high	93.4	Very high	33 Å²	33	50.6 Å²	50.6	21%	0.214	24%	0.243	C	C	.	.			trans	-78.6	75.2	-179.7	31.1	-33.3	0	0	0	110.3	N611 T615 Y616	P531-N611 HydrophobicContact CB-CB 4.07Å; P531-T615 WeakPolarHBondContact CD-OG1 3.48Å; P531-Y616 HydrophobicContact CG-CD2 4.35Å; P531-Y616 HydrophobicContact CG-CE2 3.49Å; P531-Y616 VanDerWaalsContact CG-CE2 3.49Å
532	Y	94.7	Very high	93.6	Very high	27 Å²	27	41 Å²	41	11%	0.106	20%	0.201	C	C	.	.			trans	-62.5	140.6	175.3	-61.3	-79.1	0	0	0	111.2	L492 V494 V518 N527 F530 E534 I535	L492-Y532 HydrophobicContact CD2-CD2 3.6Å; L492-Y532 HydrophobicContact CD2-CE2 4.39Å; L492-Y532 HydrophobicContact CD2-CG 3.89Å; V494-Y532 HydrophobicContact CG2-CE2 3.8Å; V518-Y532 HydrophobicContact CB-CE1 4.41Å; V518-Y532 HydrophobicContact CG1-CD1 4.04Å; V518-Y532 HydrophobicContact CG1-CE1 3.62Å; N527-Y532 WeakPolarHBondContact O-CE2 3.34Å; N527-Y532 PolarHBondContact O-OH 3.29Å; F530-Y532 HydrophobicContact CB-CD2 4.25Å; F530-Y532 HydrophobicContact CB-CE1 4.34Å; F530-Y532 HydrophobicContact CB-CE2 3.73Å; F530-Y532 AromaticContact CD1-CD1 3.65Å; F530-Y532 HydrophobicContact CD1-CD1 3.65Å; F530-Y532 HydrophobicContact CD1-CD2 4.26Å; F530-Y532 AromaticContact CD1-CE1 3.64Å; F530-Y532 HydrophobicContact CD1-CE1 3.64Å; F530-Y532 HydrophobicContact CD1-CE2 4.27Å; F530-Y532 AromaticContact CD1-CG 3.96Å; F530-Y532 HydrophobicContact CD1-CG 3.96Å; F530-Y532 AromaticContact CD1-CZ 3.96Å; F530-Y532 HydrophobicContact CE1-CD1 4.27Å; F530-Y532 HydrophobicContact CE1-CE1 4.42Å; F530-Y532 HydrophobicContact CG-CE1 4.33Å; F530-Y532 HydrophobicContact CG-CE2 4.49Å; F530-Y532 WeakPolarHBondContact O-CD2 3.43Å; F530-Y532 PolarHBondContact O-N 3.27Å; Y532-E534 PolarHBondContact O-N 2.99Å; Y532-E534 VanDerWaalsContact O-N 3.14Å; Y532-I535 HydrophobicContact CD2-CD1 4.26Å; Y532-I535 WeakPolarHBondContact O-CB 3.42Å; Y532-I535 PolarHBondContact O-N 3.4Å
533	D	90.9	Very high	93.7	Very high	155 Å²	155	36 Å²	36	83%	0.829	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	-23.7	178.9	-67.6	-32.1	0	0	0	112	I535	D533-I535 PolarHBondContact O-N 3.32Å
534	E	91.9	Very high	93.6	Very high	52 Å²	52	36 Å²	36	24%	0.243	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-16.7	176.3	-64.2	95.3	157.3	0	0	114.1	K490 L492 K516 Y532 E536	K490-E534 HydrophobicContact CD-CB 4.42Å; K490-E534 VanDerWaalsContact CD-O 3.24Å; K490-E534 WeakPolarHBondContact CD-O 3.41Å; K490-E534 PolarHBondContact NZ-O 3.32Å; L492-E534 HydrophobicContact CD1-CB 4.22Å; K516-E534 HydrophobicContact CG-CG 4.11Å; Y532-E534 PolarHBondContact O-N 2.99Å; Y532-E534 VanDerWaalsContact O-N 3.14Å; E534-E536 PolarHBondContact O-N 3.26Å; E534-E536 VanDerWaalsContact O-N 3.1Å
535	I	92.6	Very high	93.4	Very high	15 Å²	15	33.8 Å²	33.8	8%	0.077	17%	0.168	C	C	.	.			trans	-81.1	87	177.1	-55.5	174.4	0	0	0	109.6	T463 V465 L492 Y532 D533 V540 K608	T463-I535 HydrophobicContact CG2-CG1 4.4Å; V465-I535 HydrophobicContact CG2-CD1 4.08Å; V465-I535 HydrophobicContact CG2-CG1 4.49Å; L492-I535 HydrophobicContact CD2-CD1 4.17Å; L492-I535 HydrophobicContact CD2-CG1 3.86Å; Y532-I535 HydrophobicContact CD2-CD1 4.26Å; Y532-I535 WeakPolarHBondContact O-CB 3.42Å; Y532-I535 PolarHBondContact O-N 3.4Å; D533-I535 PolarHBondContact O-N 3.32Å; I535-V540 HydrophobicContact CG2-CG2 3.64Å; I535-K608 HydrophobicContact CG2-CB 4.08Å
536	E	86.8	Confident	93.1	Very high	133 Å²	133	34.5 Å²	34.5	62%	0.621	17%	0.173	S	C	*	.			trans	-88	-28.7	-177.8	-71.3	158.5	-162.5	0	0	112.7	K490 E534 K608	K490-E536 IonicContact NZ-OE1 3.74Å; K490-E536 PolarHBondContact NZ-OE1 2.87Å; K490-E536 IonicContact NZ-OE2 3.43Å; K490-E536 PolarHBondContact NZ-OE2 2.93Å; E534-E536 PolarHBondContact O-N 3.26Å; E534-E536 VanDerWaalsContact O-N 3.1Å; E536-K608 PolarHBondContact O-NZ 2.76Å
537	T	90.2	Very high	92.7	Very high	8 Å²	8	35.2 Å²	35.2	5%	0.049	18%	0.176	C	C	.	.	S	Bend	trans	-77.9	147.9	-178	58.1	0	0	0	0	112.5	P460 T463 A489 A539 K608	P460-T537 WeakPolarHBondContact O-CG2 3.48Å; T463-T537 VanDerWaalsContact CB-OG1 3.29Å; T463-T537 WeakPolarHBondContact CB-OG1 3.38Å; T463-T537 PolarHBondContact N-OG1 3.34Å; T463-T537 PolarHBondContact OG1-OG1 3.18Å; A489-T537 HydrophobicContact CB-CG2 3.64Å; T537-A539 VanDerWaalsContact C-N 3.33Å; T537-A539 PolarHBondContact O-N 2.91Å; T537-A539 PolarHBondContact OG1-O 3.49Å; T537-K608 WeakPolarHBondContact O-CD 3.36Å
538	E	88.4	Confident	91.9	Very high	80 Å²	80	35.5 Å²	35.5	37%	0.374	18%	0.177	S	C	.	.	S	Bend	trans	-65.5	-36.9	174.9	-63.2	-53.6	134.3	0	0	112.4	W562 H607 K608	E538-W562 HydrophobicContact CB-CH2 4.13Å; E538-H607 CarbonylContact O-C 3.35Å; E538-H607 WeakPolarHBondContact O-CA 3.45Å; E538-H607 IonicContact OE2-CE1 3.02Å; E538-H607 PolarHBondContact OE2-CE1 3.46Å; E538-H607 IonicContact OE2-ND1 2.74Å; E538-H607 IonicContact OE2-NE2 3.32Å; E538-H607 PolarHBondContact OE2-NE2 3.11Å; E538-H607 VanDerWaalsContact OE2-NE2 3.16Å; E538-K608 VanDerWaalsContact CD-CE 3.45Å; E538-K608 PolarHBondContact O-N 2.66Å; E538-K608 WeakPolarHBondContact OE1-CE 3.28Å; E538-K608 IonicContact OE1-NZ 2.77Å; E538-K608 PolarHBondContact OE1-NZ 3.05Å; E538-K608 WeakPolarHBondContact OE2-CE 3.24Å; E538-K608 IonicContact OE2-NZ 3.47Å
539	A	93.3	Very high	91.1	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.008	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	137.3	177.2	0	0	0	0	0	111.4	F462 T463 T537 Y559 W562	F462-A539 HydrophobicContact CB-CB 3.72Å; T463-A539 PolarHBondContact N-O 3.33Å; T463-A539 VanDerWaalsContact N-O 3.14Å; T537-A539 VanDerWaalsContact C-N 3.33Å; T537-A539 PolarHBondContact O-N 2.91Å; T537-A539 PolarHBondContact OG1-O 3.49Å; A539-Y559 HydrophobicContact CB-CD2 4.18Å; A539-Y559 HydrophobicContact CB-CE2 3.76Å; A539-W562 HydrophobicContact CB-CD2 3.94Å; A539-W562 HydrophobicContact CB-CE3 3.48Å; A539-W562 VanDerWaalsContact CB-CE3 3.48Å; A539-W562 HydrophobicContact CB-CH2 3.34Å; A539-W562 HydrophobicContact CB-CZ2 3.78Å; A539-W562 HydrophobicContact CB-CZ3 3.2Å
540	V	96.1	Very high	90.6	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	126.7	172.9	-177.5	0	0	0	0	108.7	T463 V465 I535 F605 Y606 K608	T463-V540 WeakPolarHBondContact O-CA 3.36Å; V465-V540 HydrophobicContact CB-CG1 4.32Å; V465-V540 HydrophobicContact CG2-CG1 3.64Å; I535-V540 HydrophobicContact CG2-CG2 3.64Å; V540-F605 VanDerWaalsContact O-CA 3.28Å; V540-F605 WeakPolarHBondContact O-CA 3.33Å; V540-Y606 HydrophobicContact CB-CD2 4.38Å; V540-Y606 HydrophobicContact CB-CE1 4.36Å; V540-Y606 HydrophobicContact CB-CE2 3.88Å; V540-Y606 HydrophobicContact CG1-CE1 4.19Å; V540-Y606 HydrophobicContact CG1-CE2 4.12Å; V540-Y606 WeakPolarHBondContact CG1-OH 3.43Å; V540-Y606 HydrophobicContact CG2-CE2 4.41Å; V540-Y606 PolarHBondContact N-O 3.22Å; V540-Y606 PolarHBondContact O-N 2.97Å; V540-K608 HydrophobicContact CG2-CB 3.86Å
541	L	97.4	Very high	90.3	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	110.6	165.1	173.5	62.3	0	0	0	107.9	F462 T463 A464 V465 I543 L555 F605	F462-L541 HydrophobicContact CD2-CB 3.73Å; F462-L541 HydrophobicContact CD2-CD2 4.43Å; F462-L541 HydrophobicContact CE2-CB 3.85Å; F462-L541 HydrophobicContact CE2-CD2 3.67Å; F462-L541 HydrophobicContact CE2-CG 4.42Å; F462-L541 HydrophobicContact CZ-CD2 4.3Å; T463-L541 PolarHBondContact O-N 3.42Å; A464-L541 CarbonylContact C-O 3.57Å; A464-L541 WeakPolarHBondContact CA-O 3.43Å; A464-L541 HydrophobicContact CB-CB 4.33Å; A464-L541 HydrophobicContact CB-CD2 4.28Å; V465-L541 PolarHBondContact N-O 2.75Å; L541-I543 HydrophobicContact CG-CB 4.39Å; L541-L555 HydrophobicContact CD1-CD2 4.47Å; L541-L555 HydrophobicContact CD2-CD2 3.9Å; L541-F605 HydrophobicContact CB-CD1 3.93Å; L541-F605 HydrophobicContact CB-CE1 3.66Å; L541-F605 HydrophobicContact CB-CZ 4.19Å; L541-F605 HydrophobicContact CD1-CD1 4.31Å; L541-F605 HydrophobicContact CD1-CD2 4.11Å; L541-F605 HydrophobicContact CD1-CE1 4.07Å; L541-F605 HydrophobicContact CD1-CE2 3.84Å; L541-F605 HydrophobicContact CD1-CG 4.33Å; L541-F605 HydrophobicContact CD1-CZ 3.83Å; L541-F605 HydrophobicContact CD2-CE1 4.36Å; L541-F605 HydrophobicContact CD2-CZ 4.12Å; L541-F605 HydrophobicContact CG-CE1 4.23Å; L541-F605 HydrophobicContact CG-CZ 4.26Å
542	A	96.9	Very high	90.1	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	131	163.4	0	0	0	0	0	109.2	T601 A603 A604 Y606	A542-T601 CarbonylContact C-O 3.48Å; A542-T601 WeakPolarHBondContact CB-O 3.39Å; A542-T601 VanDerWaalsContact O-O 3.05Å; A542-A603 WeakPolarHBondContact O-CA 3.42Å; A542-A604 PolarHBondContact N-O 3.23Å; A542-A604 PolarHBondContact O-N 3.28Å; A542-Y606 HydrophobicContact CB-CE1 3.64Å
543	I	94.4	Very high	89.8	Confident	2 Å²	2	34.8 Å²	34.8	1%	0.01	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	138	-179.3	-170.2	160	0	0	0	111.2	V465 V466 V478 I482 L541 I547 L550 G602	V465-I543 PolarHBondContact O-N 2.97Å; V466-I543 HydrophobicContact CG2-CG2 3.75Å; V478-I543 HydrophobicContact CG1-CG2 4.48Å; I482-I543 HydrophobicContact CD1-CD1 4.06Å; I482-I543 HydrophobicContact CD1-CG2 3.65Å; I482-I543 HydrophobicContact CG1-CD1 4.4Å; L541-I543 HydrophobicContact CG-CB 4.39Å; I543-I547 HydrophobicContact CD1-CB 4.11Å; I543-I547 HydrophobicContact CD1-CG2 4.14Å; I543-I547 HydrophobicContact CG1-CB 3.9Å; I543-I547 HydrophobicContact CG1-CG1 4.25Å; I543-I547 HydrophobicContact CG1-CG2 4.33Å; I543-L550 HydrophobicContact CD1-CD1 4.15Å; I543-G602 CarbonylContact C-O 3.43Å; I543-G602 VanDerWaalsContact CA-O 3.22Å; I543-G602 WeakPolarHBondContact CA-O 3.33Å
544	D	92.2	Very high	89.9	Confident	52 Å²	52	27.4 Å²	27.4	28%	0.278	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	152.1	176.8	-63.1	-23.3	0	0	0	110.8	R528 D546 I547 G602	R528-D544 IonicContact NH1-OD1 3.94Å; R528-D544 PolarHBondContact NH1-OD1 3.01Å; D544-D546 PolarHBondContact O-N 3.07Å; D544-D546 VanDerWaalsContact O-N 3.1Å; D544-I547 HydrophobicContact CB-CD1 4.43Å; D544-I547 HydrophobicContact CB-CG1 3.86Å; D544-I547 PolarHBondContact O-N 3.29Å; D544-G602 PolarHBondContact N-O 3.01Å; D544-G602 WeakPolarHBondContact OD1-CA 3.41Å; D544-G602 VanDerWaalsContact OD2-CA 3.24Å; D544-G602 WeakPolarHBondContact OD2-CA 3.49Å
545	D	90.5	Very high	89.9	Confident	10 Å²	10	25 Å²	25	5%	0.053	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	1.9	-174.7	66.7	-1.5	0	0	0	114.7	V466 T468 Y469 R471 S474 L475	V466-D545 HydrophobicContact CG1-CB 4.09Å; T468-D545 WeakPolarHBondContact CA-OD2 3.02Å; T468-D545 WeakPolarHBondContact CB-OD2 3.47Å; T468-D545 PolarHBondContact OG1-OD2 2.77Å; Y469-D545 PolarHBondContact N-OD2 2.99Å; R471-D545 WeakPolarHBondContact CD-OD1 3.24Å; R471-D545 IonicContact NH1-OD1 2.67Å; S474-D545 CarbonylContact C-O 3.35Å; S474-D545 WeakPolarHBondContact CB-O 3.44Å; S474-D545 PolarHBondContact OG-O 2.87Å; L475-D545 HydrophobicContact CB-CB 4.44Å; L475-D545 HydrophobicContact CD1-CB 4.35Å; L475-D545 PolarHBondContact N-O 3.08Å
546	D	85.4	Confident	89.9	Confident	40 Å²	40	25.3 Å²	25.3	21%	0.214	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.6	5.7	177.1	63	3.4	0	0	0	114.7	R471 S474 D544 I548 C660	R471-D546 IonicContact CZ-OD2 3.96Å; R471-D546 VanDerWaalsContact NH1-CG 3.31Å; R471-D546 IonicContact NH1-OD2 3.6Å; R471-D546 PolarHBondContact NH1-OD2 2.89Å; S474-D546 WeakPolarHBondContact OG-CA 3.37Å; D544-D546 PolarHBondContact O-N 3.07Å; D544-D546 VanDerWaalsContact O-N 3.1Å; D546-I548 PolarHBondContact O-N 2.86Å; D546-I548 VanDerWaalsContact O-N 3.15Å; D546-C660 HydrophobicContact CB-CB 4.23Å
547	I	86.3	Confident	90.3	Very high	18 Å²	18	19.7 Å²	19.7	9%	0.092	10%	0.104	C	C	.	.			trans	-90.3	74.8	-178.8	-49.4	-59.8	0	0	0	111.2	I543 D544 L550 A603 F658	I543-I547 HydrophobicContact CD1-CB 4.11Å; I543-I547 HydrophobicContact CD1-CG2 4.14Å; I543-I547 HydrophobicContact CG1-CB 3.9Å; I543-I547 HydrophobicContact CG1-CG1 4.25Å; I543-I547 HydrophobicContact CG1-CG2 4.33Å; D544-I547 HydrophobicContact CB-CD1 4.43Å; D544-I547 HydrophobicContact CB-CG1 3.86Å; D544-I547 PolarHBondContact O-N 3.29Å; I547-L550 HydrophobicContact CG2-CD1 3.72Å; I547-L550 HydrophobicContact CG2-CG 4.04Å; I547-A603 HydrophobicContact CG2-CB 4.5Å; I547-F658 HydrophobicContact CD1-CB 3.55Å; I547-F658 HydrophobicContact CD1-CD2 3.75Å; I547-F658 HydrophobicContact CD1-CG 3.89Å; I547-F658 HydrophobicContact CG2-CB 4.18Å; I547-F658 HydrophobicContact CG2-CD1 3.9Å; I547-F658 HydrophobicContact CG2-CD2 3.86Å; I547-F658 HydrophobicContact CG2-CE1 4.21Å; I547-F658 HydrophobicContact CG2-CE2 4.12Å; I547-F658 HydrophobicContact CG2-CG 3.71Å; I547-F658 HydrophobicContact CG2-CZ 4.31Å
548	I	80	Confident	90.4	Very high	33 Å²	33	19.3 Å²	19.3	17%	0.169	10%	0.101	C	C	.	.			trans	-88.2	-8.1	-179.3	66.6	172.4	0	0	0	114.5	R477 V478 D546 P661	R477-I548 HydrophobicContact CB-CG2 3.93Å; V478-I548 HydrophobicContact CG2-CG2 3.82Å; D546-I548 PolarHBondContact O-N 2.86Å; D546-I548 VanDerWaalsContact O-N 3.15Å; I548-P661 HydrophobicContact CD1-CG 4.1Å
549	M	78.2	Confident	90.7	Very high	47 Å²	47	15.7 Å²	15.7	23%	0.232	8%	0.084	C	C	.	.			trans	-90.5	-4.3	-168.5	-74.3	-174.4	79.8	0	0	114.2	R655 F658 K659 L724	M549-R655 PolarHBondContact O-NE 3.32Å; M549-R655 PolarHBondContact O-NH1 2.83Å; M549-R655 PolarHBondContact O-NH2 2.99Å; M549-F658 HydrophobicContact CB-CD1 4.05Å; M549-K659 WeakPolarHBondContact CG-O 3.41Å; M549-K659 HydrophobicContact SD-CB 4.02Å; M549-K659 PolarHBondContact SD-N 3.36Å; M549-L724 HydrophobicContact CE-CD2 3.39Å
550	L	85.9	Confident	90.6	Very high	5 Å²	5	18.4 Å²	18.4	3%	0.026	10%	0.097	C	C	.	.			trans	-83	127.7	-179.7	-78.8	172	0	0	0	110.8	I543 I547 E554 L555 Y572 A603 F658	I543-L550 HydrophobicContact CD1-CD1 4.15Å; I547-L550 HydrophobicContact CG2-CD1 3.72Å; I547-L550 HydrophobicContact CG2-CG 4.04Å; L550-E554 HydrophobicContact CD2-CB 4.13Å; L550-L555 HydrophobicContact CB-CD1 4.49Å; L550-L555 HydrophobicContact CB-CD2 4.3Å; L550-L555 HydrophobicContact CB-CG 4.19Å; L550-L555 HydrophobicContact CD1-CD2 3.88Å; L550-Y572 HydrophobicContact CD1-CD2 3.96Å; L550-Y572 HydrophobicContact CD1-CE2 3.91Å; L550-Y572 HydrophobicContact CD2-CD1 3.73Å; L550-Y572 HydrophobicContact CD2-CD2 4.16Å; L550-Y572 HydrophobicContact CD2-CE1 3.78Å; L550-Y572 HydrophobicContact CD2-CE2 4.23Å; L550-Y572 HydrophobicContact CD2-CG 3.96Å; L550-A603 HydrophobicContact CD1-CB 3.93Å; L550-F658 HydrophobicContact CD1-CE1 4.06Å; L550-F658 HydrophobicContact CD1-CE2 4.49Å; L550-F658 HydrophobicContact CD1-CZ 3.8Å; L550-F658 HydrophobicContact CD2-CE1 3.43Å; L550-F658 VanDerWaalsContact CD2-CE1 3.43Å; L550-F658 HydrophobicContact CD2-CZ 3.57Å; L550-F658 HydrophobicContact CG-CD1 4.28Å; L550-F658 HydrophobicContact CG-CE1 3.42Å; L550-F658 VanDerWaalsContact CG-CE1 3.42Å; L550-F658 HydrophobicContact CG-CZ 3.66Å
551	T	88.7	Confident	90.5	Very high	26 Å²	26	18.8 Å²	18.8	16%	0.16	10%	0.099	C	C	.	.			trans	-79.7	159.5	176.2	72.3	0	0	0	0	111.4	D553 E554 L555 N720	T551-D553 PolarHBondContact O-N 3.19Å; T551-E554 PolarHBondContact N-OE2 3.27Å; T551-E554 VanDerWaalsContact N-OE2 3.08Å; T551-E554 PolarHBondContact O-N 2.74Å; T551-E554 WeakPolarHBondContact OG1-CG 3.4Å; T551-E554 PolarHBondContact OG1-N 2.93Å; T551-L555 PolarHBondContact O-N 3.18Å; T551-N720 PolarHBondContact OG1-O 3.22Å
552	S	90.4	Very high	90.3	Very high	28 Å²	28	18.8 Å²	18.8	20%	0.196	10%	0.099	C	C	.	.	H	α-helix	trans	-53.3	-40.2	172.4	166.6	0	0	0	0	112.2	L555 Q556	S552-L555 PolarHBondContact O-N 2.03Å; S552-Q556 WeakPolarHBondContact O-CB 3.27Å; S552-Q556 PolarHBondContact O-N 2.85Å
553	D	90.4	Very high	89.8	Confident	26 Å²	26	19.6 Å²	19.6	14%	0.139	10%	0.102	C	C	.	.	H	α-helix	trans	-68.6	-39.2	-179.6	-69.5	-0.5	0	0	0	111.9	T551 F557 F718 P719 N720 I721	T551-D553 PolarHBondContact O-N 3.19Å; D553-F557 WeakPolarHBondContact O-CB 3.33Å; D553-F557 PolarHBondContact O-N 2.83Å; D553-F718 HydrophobicContact CB-CB 4.23Å; D553-F718 HydrophobicContact CB-CD1 4.25Å; D553-P719 WeakPolarHBondContact OD2-CD 3.35Å; D553-N720 HydrophobicContact CB-CB 4.19Å; D553-N720 WeakPolarHBondContact OD2-CB 3.3Å; D553-N720 PolarHBondContact OD2-N 3.03Å; D553-N720 PolarHBondContact OD2-ND2 2.89Å; D553-I721 HydrophobicContact CB-CG1 4.23Å
554	E	91.3	Very high	89.4	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-64.5	-40.9	175.5	-72.6	175.2	150.8	0	0	111.3	L550 T551 G558 Y572 T653 R655 I721 G722	L550-E554 HydrophobicContact CD2-CB 4.13Å; T551-E554 PolarHBondContact N-OE2 3.27Å; T551-E554 VanDerWaalsContact N-OE2 3.08Å; T551-E554 PolarHBondContact O-N 2.74Å; T551-E554 WeakPolarHBondContact OG1-CG 3.4Å; T551-E554 PolarHBondContact OG1-N 2.93Å; E554-G558 PolarHBondContact O-N 2.89Å; E554-Y572 VanDerWaalsContact C-OH 3.3Å; E554-Y572 HydrophobicContact CB-CE1 4.11Å; E554-Y572 PolarHBondContact O-OH 3.32Å; E554-T653 HydrophobicContact CG-CG2 4.4Å; E554-R655 WeakPolarHBondContact OE1-CD 3.42Å; E554-R655 IonicContact OE1-CZ 3.52Å; E554-R655 IonicContact OE1-NH1 2.66Å; E554-R655 PolarHBondContact OE1-NH1 2.92Å; E554-R655 IonicContact OE2-CZ 2.74Å; E554-R655 IonicContact OE2-NE 2.76Å; E554-R655 IonicContact OE2-NH1 2.76Å; E554-R655 PolarHBondContact OE2-NH1 3.06Å; E554-R655 VanDerWaalsContact OE2-NH1 3.08Å; E554-I721 HydrophobicContact CG-CG1 4.02Å; E554-G722 PolarHBondContact OE1-N 3.49Å; E554-G722 VanDerWaalsContact OE1-N 3.15Å
555	L	92.9	Very high	89.2	Confident	2 Å²	2	26.4 Å²	26.4	1%	0.01	13%	0.131	C	C	.	.	H	α-helix	trans	-67.9	-46	176.1	-71.1	175.9	0	0	0	112.2	I482 V485 L541 L550 T551 S552 F557 G558 Y559 Y572 F605	I482-L555 HydrophobicContact CG1-CD1 4.08Å; V485-L555 HydrophobicContact CG1-CB 4.39Å; V485-L555 HydrophobicContact CG2-CB 3.59Å; V485-L555 HydrophobicContact CG2-CD1 3.65Å; V485-L555 HydrophobicContact CG2-CG 4.27Å; L541-L555 HydrophobicContact CD1-CD2 4.47Å; L541-L555 HydrophobicContact CD2-CD2 3.9Å; L550-L555 HydrophobicContact CB-CD1 4.49Å; L550-L555 HydrophobicContact CB-CD2 4.3Å; L550-L555 HydrophobicContact CB-CG 4.19Å; L550-L555 HydrophobicContact CD1-CD2 3.88Å; T551-L555 PolarHBondContact O-N 3.18Å; S552-L555 PolarHBondContact O-N 2.03Å; L555-F557 PolarHBondContact O-N 3.37Å; L555-G558 PolarHBondContact O-N 3.29Å; L555-Y559 PolarHBondContact O-N 2.99Å; L555-Y572 VanDerWaalsContact CA-OH 3.3Å; L555-Y572 WeakPolarHBondContact CA-OH 3.49Å; L555-Y572 HydrophobicContact CD2-CE2 4.37Å; L555-F605 WeakPolarHBondContact O-CZ 3.45Å
556	Q	93.3	Very high	89.1	Confident	20 Å²	20	26.8 Å²	26.8	9%	0.093	13%	0.134	C	C	.	.	H	α-helix	trans	-62.3	-43.1	176.7	-177.9	62.3	38.9	0	0	111.2	V485 S487 S552 Y559 E560 F718	V485-Q556 HydrophobicContact CG1-CB 4.25Å; S487-Q556 VanDerWaalsContact CB-OE1 3.27Å; S487-Q556 PolarHBondContact OG-NE2 2.96Å; S487-Q556 PolarHBondContact OG-OE1 3.36Å; S552-Q556 WeakPolarHBondContact O-CB 3.27Å; S552-Q556 PolarHBondContact O-N 2.85Å; Q556-Y559 WeakPolarHBondContact O-CB 3.25Å; Q556-Y559 PolarHBondContact O-N 3.45Å; Q556-E560 PolarHBondContact NE2-OE1 3.03Å; Q556-E560 WeakPolarHBondContact O-CG 3.44Å; Q556-E560 PolarHBondContact O-N 2.9Å; Q556-F718 HydrophobicContact CB-CE1 4.06Å; Q556-F718 HydrophobicContact CG-CE1 3.69Å; Q556-F718 HydrophobicContact CG-CZ 4.41Å
557	F	93.3	Very high	89.1	Confident	16 Å²	16	25.5 Å²	25.5	7%	0.07	13%	0.127	C	C	.	.	H	α-helix	trans	-65.3	-42.5	176.6	177.6	-107.5	0	0	0	112.2	D553 L555 Y559 E560 V561 V652 T653 A702 P704 F718 I721	D553-F557 WeakPolarHBondContact O-CB 3.33Å; D553-F557 PolarHBondContact O-N 2.83Å; L555-F557 PolarHBondContact O-N 3.37Å; F557-Y559 VanDerWaalsContact C-N 3.25Å; F557-Y559 PolarHBondContact O-N 3.14Å; F557-E560 PolarHBondContact O-N 2.76Å; F557-E560 VanDerWaalsContact O-N 3.15Å; F557-V561 HydrophobicContact CD1-CG2 4.24Å; F557-V561 HydrophobicContact CD2-CG2 4.31Å; F557-V561 HydrophobicContact CE1-CG2 3.73Å; F557-V561 HydrophobicContact CE2-CG2 3.81Å; F557-V561 HydrophobicContact CZ-CG2 3.48Å; F557-V561 VanDerWaalsContact CZ-CG2 3.48Å; F557-V561 WeakPolarHBondContact O-CG2 3.01Å; F557-V561 PolarHBondContact O-N 3.48Å; F557-V652 HydrophobicContact CE1-CB 4.32Å; F557-V652 HydrophobicContact CE1-CG1 4.33Å; F557-T653 HydrophobicContact CD1-CG2 4.11Å; F557-T653 HydrophobicContact CE1-CG2 4.48Å; F557-A702 WeakPolarHBondContact CE1-O 3.21Å; F557-A702 HydrophobicContact CZ-CB 4.37Å; F557-P704 HydrophobicContact CD1-CG 4.49Å; F557-P704 HydrophobicContact CD2-CG 3.97Å; F557-P704 HydrophobicContact CE1-CG 4.41Å; F557-P704 HydrophobicContact CE2-CB 4.23Å; F557-P704 HydrophobicContact CE2-CG 3.88Å; F557-P704 HydrophobicContact CG-CG 4.28Å; F557-P704 HydrophobicContact CZ-CG 4.12Å; F557-F718 HydrophobicContact CB-CD1 4.22Å; F557-F718 HydrophobicContact CB-CD2 4.32Å; F557-F718 HydrophobicContact CB-CE1 4.21Å; F557-F718 HydrophobicContact CB-CE2 4.3Å; F557-F718 HydrophobicContact CB-CG 4.29Å; F557-F718 HydrophobicContact CB-CZ 4.24Å; F557-F718 AromaticContact CD2-CD2 3.91Å; F557-F718 HydrophobicContact CD2-CD2 3.91Å; F557-F718 AromaticContact CD2-CE2 3.7Å; F557-F718 HydrophobicContact CD2-CE2 3.7Å; F557-F718 HydrophobicContact CD2-CZ 4.3Å; F557-F718 HydrophobicContact CG-CD2 4.47Å; F557-F718 HydrophobicContact CG-CE2 4.47Å; F557-I721 HydrophobicContact CB-CD1 3.72Å; F557-I721 HydrophobicContact CD1-CD1 4.04Å; F557-I721 HydrophobicContact CD2-CD1 4.45Å; F557-I721 HydrophobicContact CG-CD1 3.81Å
558	G	94.3	Very high	89.2	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-57.1	-40.5	174.3	0	0	0	0	0	112.5	E554 L555 W562	E554-G558 PolarHBondContact O-N 2.89Å; L555-G558 PolarHBondContact O-N 3.29Å; G558-W562 PolarHBondContact O-N 3.46Å
559	Y	93.8	Very high	89.9	Confident	4 Å²	4	25.9 Å²	25.9	2%	0.016	13%	0.125	C	C	.	.	H	α-helix	trans	-65.1	-44.9	173.5	175.1	-114.1	0	0	0	112.6	G461 F462 S487 A539 L555 Q556 F557 V561 W562 R563 F605	G461-Y559 VanDerWaalsContact C-OH 3.24Å; G461-Y559 VanDerWaalsContact CA-OH 3.24Å; G461-Y559 WeakPolarHBondContact CA-OH 3.24Å; G461-Y559 PolarHBondContact N-OH 3.16Å; G461-Y559 VanDerWaalsContact O-CE2 3.28Å; G461-Y559 WeakPolarHBondContact O-CE2 3.06Å; G461-Y559 PolarHBondContact O-OH 2.81Å; F462-Y559 HydrophobicContact CB-CD2 3.97Å; F462-Y559 HydrophobicContact CB-CE2 3.91Å; F462-Y559 HydrophobicContact CD1-CD1 4.29Å; F462-Y559 AromaticContact CD1-CD2 3.64Å; F462-Y559 HydrophobicContact CD1-CD2 3.64Å; F462-Y559 HydrophobicContact CD1-CE2 4.07Å; F462-Y559 AromaticContact CD1-CG 3.75Å; F462-Y559 HydrophobicContact CD1-CG 3.75Å; F462-Y559 HydrophobicContact CE1-CG 4.27Å; F462-Y559 HydrophobicContact CG-CD2 4.19Å; F462-Y559 HydrophobicContact CG-CE2 4.49Å; S487-Y559 VanDerWaalsContact CB-CD1 3.49Å; S487-Y559 VanDerWaalsContact CB-CE1 3.45Å; A539-Y559 HydrophobicContact CB-CD2 4.18Å; A539-Y559 HydrophobicContact CB-CE2 3.76Å; L555-Y559 PolarHBondContact O-N 2.99Å; Q556-Y559 WeakPolarHBondContact O-CB 3.25Å; Q556-Y559 PolarHBondContact O-N 3.45Å; F557-Y559 VanDerWaalsContact C-N 3.25Å; F557-Y559 PolarHBondContact O-N 3.14Å; Y559-V561 VanDerWaalsContact C-N 3.34Å; Y559-V561 PolarHBondContact O-N 2.86Å; Y559-W562 HydrophobicContact CD2-CE3 4.23Å; Y559-W562 HydrophobicContact CE2-CE3 4.09Å; Y559-W562 HydrophobicContact CE2-CZ3 4.24Å; Y559-W562 PolarHBondContact O-N 3.34Å; Y559-R563 HydrophobicContact CD2-CG 4.48Å; Y559-R563 VanDerWaalsContact CE1-CD 3.45Å; Y559-R563 HydrophobicContact CE1-CG 4.22Å; Y559-R563 HydrophobicContact CE2-CG 4.11Å; Y559-R563 WeakPolarHBondContact O-CG 3.27Å; Y559-R563 PolarHBondContact O-N 3.41Å; Y559-F605 HydrophobicContact CD2-CD1 4.37Å; Y559-F605 HydrophobicContact CD2-CE1 4.22Å; Y559-F605 HydrophobicContact CG-CE1 4.48Å
560	E	91.7	Very high	90.8	Very high	58 Å²	58	23.6 Å²	23.6	27%	0.271	11%	0.114	S	C	.	.	H	α-helix	trans	-60.8	-42.2	176.3	-70.3	-61.4	159.1	0	0	112.2	Q556 F557 W562 R563 E564 F718	Q556-E560 PolarHBondContact NE2-OE1 3.03Å; Q556-E560 WeakPolarHBondContact O-CG 3.44Å; Q556-E560 PolarHBondContact O-N 2.9Å; F557-E560 PolarHBondContact O-N 2.76Å; F557-E560 VanDerWaalsContact O-N 3.15Å; E560-W562 VanDerWaalsContact C-N 3.35Å; E560-W562 PolarHBondContact O-N 3.29Å; E560-R563 WeakPolarHBondContact O-CB 3.31Å; E560-R563 PolarHBondContact O-N 2.98Å; E560-R563 VanDerWaalsContact O-N 3.15Å; E560-R563 IonicContact OE1-NH1 2.69Å; E560-R563 PolarHBondContact OE1-NH1 3.2Å; E560-R563 IonicContact OE2-CZ 3.88Å; E560-R563 IonicContact OE2-NH1 2.66Å; E560-R563 PolarHBondContact OE2-NH1 2.88Å; E560-E564 PolarHBondContact O-N 3.08Å; E560-F718 HydrophobicContact CG-CZ 4.27Å
561	V	92.6	Very high	91.1	Very high	7 Å²	7	23.4 Å²	23.4	4%	0.042	11%	0.113	C	C	.	.	H	α-helix	trans	-63.1	-42.9	174.2	176.1	0	0	0	0	110.7	F557 Y559 R563 E564 F565 V570 I650 V652 A702	F557-V561 HydrophobicContact CD1-CG2 4.24Å; F557-V561 HydrophobicContact CD2-CG2 4.31Å; F557-V561 HydrophobicContact CE1-CG2 3.73Å; F557-V561 HydrophobicContact CE2-CG2 3.81Å; F557-V561 HydrophobicContact CZ-CG2 3.48Å; F557-V561 VanDerWaalsContact CZ-CG2 3.48Å; F557-V561 WeakPolarHBondContact O-CG2 3.01Å; F557-V561 PolarHBondContact O-N 3.48Å; Y559-V561 VanDerWaalsContact C-N 3.34Å; Y559-V561 PolarHBondContact O-N 2.86Å; V561-R563 VanDerWaalsContact C-N 3.25Å; V561-R563 PolarHBondContact O-N 2.88Å; V561-E564 PolarHBondContact O-N 3.29Å; V561-E564 VanDerWaalsContact O-N 3.08Å; V561-F565 HydrophobicContact CG1-CD2 4.08Å; V561-F565 WeakPolarHBondContact O-CD2 3.13Å; V561-F565 PolarHBondContact O-N 3.05Å; V561-F565 VanDerWaalsContact O-N 3.11Å; V561-V570 HydrophobicContact CB-CG1 3.98Å; V561-V570 HydrophobicContact CG1-CG1 3.66Å; V561-V570 HydrophobicContact CG1-CG2 4.44Å; V561-I650 HydrophobicContact CG1-CG2 3.91Å; V561-V652 HydrophobicContact CB-CG1 3.98Å; V561-V652 HydrophobicContact CG1-CG1 3.89Å; V561-V652 HydrophobicContact CG2-CG1 3.99Å; V561-A702 HydrophobicContact CG1-CB 3.95Å; V561-A702 HydrophobicContact CG2-CB 3.93Å
562	W	92.9	Very high	91.2	Very high	1 Å²	1	22.1 Å²	22.1	0%	0.004	11%	0.105	C	C	.	.	H	α-helix	trans	-60.5	-35	174.6	176.8	83.9	0	0	0	112.4	P456 E538 A539 G558 Y559 E560 E564 F565 P566 V570 F605 H607	P456-W562 HydrophobicContact CB-CZ3 4.16Å; P456-W562 HydrophobicContact CG-CH2 4.05Å; P456-W562 HydrophobicContact CG-CZ3 3.77Å; E538-W562 HydrophobicContact CB-CH2 4.13Å; A539-W562 HydrophobicContact CB-CD2 3.94Å; A539-W562 HydrophobicContact CB-CE3 3.48Å; A539-W562 VanDerWaalsContact CB-CE3 3.48Å; A539-W562 HydrophobicContact CB-CH2 3.34Å; A539-W562 HydrophobicContact CB-CZ2 3.78Å; A539-W562 HydrophobicContact CB-CZ3 3.2Å; G558-W562 PolarHBondContact O-N 3.46Å; Y559-W562 HydrophobicContact CD2-CE3 4.23Å; Y559-W562 HydrophobicContact CE2-CE3 4.09Å; Y559-W562 HydrophobicContact CE2-CZ3 4.24Å; Y559-W562 PolarHBondContact O-N 3.34Å; E560-W562 VanDerWaalsContact C-N 3.35Å; E560-W562 PolarHBondContact O-N 3.29Å; W562-E564 VanDerWaalsContact C-N 3.25Å; W562-E564 PolarHBondContact O-N 3.47Å; W562-F565 CarbonylContact O-C 3.51Å; W562-F565 PolarHBondContact O-N 3.36Å; W562-F565 VanDerWaalsContact O-N 3.09Å; W562-P566 HydrophobicContact CH2-CB 4.24Å; W562-P566 HydrophobicContact CZ2-CB 3.94Å; W562-P566 PolarHBondContact NE1-O 3.46Å; W562-P566 WeakPolarHBondContact O-CA 3.35Å; W562-P566 WeakPolarHBondContact O-CD 3.36Å; W562-V570 HydrophobicContact CB-CB 4.12Å; W562-V570 HydrophobicContact CB-CG2 4.03Å; W562-F605 HydrophobicContact CB-CB 3.75Å; W562-F605 HydrophobicContact CB-CG 4.36Å; W562-F605 HydrophobicContact CG-CB 3.77Å; W562-H607 HydrophobicContact CZ2-CB 4.09Å; W562-H607 AromaticContact CZ2-CD2 3.82Å
563	R	88.1	Confident	91.2	Very high	16 Å²	16	21.5 Å²	21.5	6%	0.06	10%	0.1	C	C	.	.	H	α-helix	trans	-64.3	-30.4	175.1	-68.6	175.6	61.9	-132.7	-22.4	112.5	P456 R458 Y559 E560 V561	P456-R563 HydrophobicContact CB-CG 4.28Å; P456-R563 WeakPolarHBondContact CD-O 3.38Å; P456-R563 HydrophobicContact CG-CB 4.44Å; P456-R563 HydrophobicContact CG-CG 4.46Å; P456-R563 PolarHBondContact O-NE 3.13Å; P456-R563 PolarHBondContact O-NH2 3.02Å; R458-R563 VanDerWaalsContact CG-NH2 3.32Å; Y559-R563 HydrophobicContact CD2-CG 4.48Å; Y559-R563 VanDerWaalsContact CE1-CD 3.45Å; Y559-R563 HydrophobicContact CE1-CG 4.22Å; Y559-R563 HydrophobicContact CE2-CG 4.11Å; Y559-R563 WeakPolarHBondContact O-CG 3.27Å; Y559-R563 PolarHBondContact O-N 3.41Å; E560-R563 WeakPolarHBondContact O-CB 3.31Å; E560-R563 PolarHBondContact O-N 2.98Å; E560-R563 VanDerWaalsContact O-N 3.15Å; E560-R563 IonicContact OE1-NH1 2.69Å; E560-R563 PolarHBondContact OE1-NH1 3.2Å; E560-R563 IonicContact OE2-CZ 3.88Å; E560-R563 IonicContact OE2-NH1 2.66Å; E560-R563 PolarHBondContact OE2-NH1 2.88Å; V561-R563 VanDerWaalsContact C-N 3.25Å; V561-R563 PolarHBondContact O-N 2.88Å
564	E	85.9	Confident	91.1	Very high	132 Å²	132	20.6 Å²	20.6	62%	0.617	10%	0.098	S	C	*	.	H	α-helix	trans	-77.7	-25.7	173.8	-65.2	-173.8	180	0	0	112.6	E560 V561 W562	E560-E564 PolarHBondContact O-N 3.08Å; V561-E564 PolarHBondContact O-N 3.29Å; V561-E564 VanDerWaalsContact O-N 3.08Å; W562-E564 VanDerWaalsContact C-N 3.25Å; W562-E564 PolarHBondContact O-N 3.47Å
565	F	88	Confident	91.1	Very high	65 Å²	65	22.5 Å²	22.5	29%	0.285	11%	0.105	S	C	.	.			trans	-132.8	59	-176.1	-54	-78.7	0	0	0	112.7	V561 W562 D567 R568 I650	V561-F565 HydrophobicContact CG1-CD2 4.08Å; V561-F565 WeakPolarHBondContact O-CD2 3.13Å; V561-F565 PolarHBondContact O-N 3.05Å; V561-F565 VanDerWaalsContact O-N 3.11Å; W562-F565 CarbonylContact O-C 3.51Å; W562-F565 PolarHBondContact O-N 3.36Å; W562-F565 VanDerWaalsContact O-N 3.09Å; F565-D567 PolarHBondContact O-N 3.4Å; F565-D567 VanDerWaalsContact O-N 3.1Å; F565-R568 HydrophobicContact CB-CB 4.43Å; F565-R568 PolarHBondContact O-N 2.94Å; F565-I650 HydrophobicContact CB-CD1 3.52Å; F565-I650 HydrophobicContact CD1-CD1 3.8Å; F565-I650 HydrophobicContact CD2-CD1 3.3Å; F565-I650 HydrophobicContact CE1-CD1 4.34Å; F565-I650 HydrophobicContact CE2-CD1 3.93Å; F565-I650 HydrophobicContact CG-CD1 3.23Å; F565-I650 HydrophobicContact CZ-CD1 4.4Å
566	P	87.7	Confident	91	Very high	18 Å²	18	22.5 Å²	22.5	12%	0.117	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-18.4	-170.2	26.9	-36	0	0	0	113.2	L450 P456 W562 R568	L450-P566 VanDerWaalsContact CD2-O 3.31Å; L450-P566 WeakPolarHBondContact CD2-O 3.42Å; P456-P566 HydrophobicContact CG-CB 4.04Å; P456-P566 HydrophobicContact CG-CG 4.31Å; W562-P566 HydrophobicContact CH2-CB 4.24Å; W562-P566 HydrophobicContact CZ2-CB 3.94Å; W562-P566 PolarHBondContact NE1-O 3.46Å; W562-P566 WeakPolarHBondContact O-CA 3.35Å; W562-P566 WeakPolarHBondContact O-CD 3.36Å; P566-R568 VanDerWaalsContact C-N 3.32Å
567	D	84.9	Confident	90.9	Very high	13 Å²	13	22 Å²	22	7%	0.07	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-5.2	177	68.7	-40.3	0	0	0	114	L450 F565 T645 K647	L450-D567 HydrophobicContact CB-CB 3.9Å; L450-D567 HydrophobicContact CD2-CB 4.36Å; F565-D567 PolarHBondContact O-N 3.4Å; F565-D567 VanDerWaalsContact O-N 3.1Å; D567-T645 HydrophobicContact CB-CG2 4.36Å; D567-T645 WeakPolarHBondContact O-CG2 3.4Å; D567-K647 IonicContact OD1-NZ 3.58Å; D567-K647 WeakPolarHBondContact OD2-CD 3.38Å; D567-K647 WeakPolarHBondContact OD2-CE 3.36Å; D567-K647 IonicContact OD2-NZ 3.26Å; D567-K647 PolarHBondContact OD2-NZ 3.3Å
568	R	89.7	Confident	90.7	Very high	58 Å²	58	24.4 Å²	24.4	22%	0.219	12%	0.116	C	C	.	.	S	Bend	trans	-114	157.9	-178.8	-62.7	-179.2	-176.6	-144.7	10.1	112.2	F565 P566 K647 A648	F565-R568 HydrophobicContact CB-CB 4.43Å; F565-R568 PolarHBondContact O-N 2.94Å; P566-R568 VanDerWaalsContact C-N 3.32Å; R568-K647 HydrophobicContact CG-CB 4.19Å; R568-K647 HydrophobicContact CG-CD 4.42Å; R568-A648 WeakPolarHBondContact CD-O 3.3Å; R568-A648 PolarHBondContact NH1-O 3.29Å
569	L	94.5	Very high	90.4	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.005	14%	0.135	C	C	.	.			trans	-72.7	123.9	161.8	-88.3	152.1	0	0	0	108.9	T601 A604 Y606 M637 N638 V641 P649 I650	L569-T601 HydrophobicContact CD2-CG2 3.72Å; L569-A604 HydrophobicContact CD2-CB 4.22Å; L569-Y606 HydrophobicContact CD2-CD1 4.26Å; L569-Y606 HydrophobicContact CD2-CG 4.41Å; L569-M637 HydrophobicContact CD1-CG 4.17Å; L569-M637 HydrophobicContact CD2-CG 4.39Å; L569-N638 HydrophobicContact CD1-CB 4.36Å; L569-V641 HydrophobicContact CD1-CB 3.83Å; L569-V641 HydrophobicContact CD1-CG1 4.16Å; L569-V641 HydrophobicContact CD1-CG2 3.65Å; L569-V641 HydrophobicContact CG-CB 4.44Å; L569-V641 HydrophobicContact CG-CG1 4.34Å; L569-V641 HydrophobicContact CG-CG2 4.03Å; L569-P649 HydrophobicContact CB-CB 4.01Å; L569-P649 CarbonylContact O-C 3.56Å; L569-P649 WeakPolarHBondContact O-CA 3.41Å; L569-P649 WeakPolarHBondContact O-CB 3.42Å; L569-I650 PolarHBondContact O-N 2.85Å
570	V	95.8	Very high	89.9	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	121.3	178.1	-178.1	0	0	0	0	108.8	V561 W562 A604 F605 I650 V652	V561-V570 HydrophobicContact CB-CG1 3.98Å; V561-V570 HydrophobicContact CG1-CG1 3.66Å; V561-V570 HydrophobicContact CG1-CG2 4.44Å; W562-V570 HydrophobicContact CB-CB 4.12Å; W562-V570 HydrophobicContact CB-CG2 4.03Å; V570-A604 CarbonylContact O-C 3.56Å; V570-A604 WeakPolarHBondContact O-CA 3.5Å; V570-F605 HydrophobicContact CB-CB 4.45Å; V570-F605 PolarHBondContact N-O 3.46Å; V570-F605 PolarHBondContact O-N 3.45Å; V570-I650 WeakPolarHBondContact CA-O 3.34Å; V570-I650 HydrophobicContact CG2-CB 4.21Å; V570-V652 HydrophobicContact CG1-CG1 3.54Å
571	G	93.6	Very high	89.4	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.1	-171.9	-178.7	0	0	0	0	0	114.1	V599 A603 I650 K651 V652	G571-V599 VanDerWaalsContact CA-CG1 3.46Å; G571-A603 WeakPolarHBondContact CA-O 3.41Å; G571-I650 PolarHBondContact N-O 3.31Å; G571-K651 CarbonylContact O-C 3.54Å; G571-K651 WeakPolarHBondContact O-CA 3.43Å; G571-V652 WeakPolarHBondContact O-CG2 3.2Å; G571-V652 PolarHBondContact O-N 2.68Å
572	Y	91.1	Very high	89	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.207	C	C	.	.	S	Bend	trans	-99.4	-53.2	-161.7	-45.6	-98.1	0	0	0	113	L550 E554 L555 G574 A603 V652 T653 F658	L550-Y572 HydrophobicContact CD1-CD2 3.96Å; L550-Y572 HydrophobicContact CD1-CE2 3.91Å; L550-Y572 HydrophobicContact CD2-CD1 3.73Å; L550-Y572 HydrophobicContact CD2-CD2 4.16Å; L550-Y572 HydrophobicContact CD2-CE1 3.78Å; L550-Y572 HydrophobicContact CD2-CE2 4.23Å; L550-Y572 HydrophobicContact CD2-CG 3.96Å; E554-Y572 VanDerWaalsContact C-OH 3.3Å; E554-Y572 HydrophobicContact CB-CE1 4.11Å; E554-Y572 PolarHBondContact O-OH 3.32Å; L555-Y572 VanDerWaalsContact CA-OH 3.3Å; L555-Y572 WeakPolarHBondContact CA-OH 3.49Å; L555-Y572 HydrophobicContact CD2-CE2 4.37Å; Y572-G574 PolarHBondContact O-N 2.67Å; Y572-G574 VanDerWaalsContact O-N 3.1Å; Y572-A603 HydrophobicContact CD2-CB 3.75Å; Y572-A603 VanDerWaalsContact CD2-O 3.26Å; Y572-A603 WeakPolarHBondContact CD2-O 3.44Å; Y572-A603 HydrophobicContact CE2-CB 4.39Å; Y572-A603 PolarHBondContact N-O 3.42Å; Y572-V652 HydrophobicContact CD1-CG2 3.56Å; Y572-V652 HydrophobicContact CD2-CG2 4.45Å; Y572-V652 HydrophobicContact CE1-CG2 3.52Å; Y572-V652 HydrophobicContact CE2-CG2 4.41Å; Y572-V652 HydrophobicContact CG-CG2 4.02Å; Y572-T653 HydrophobicContact CD1-CG2 4.41Å; Y572-T653 HydrophobicContact CE1-CG2 4.31Å; Y572-F658 HydrophobicContact CD2-CZ 4.34Å; Y572-F658 AromaticContact CG-CZ 3.99Å; Y572-F658 HydrophobicContact CG-CZ 3.99Å
573	P	88.9	Confident	88.5	Confident	14 Å²	14	51.3 Å²	51.3	9%	0.091	24%	0.239	C	C	.	.			trans	-79.8	103.4	-177.6	-11.9	31.4	0	0	0	110.6	V599 L600 F658	P573-V599 WeakPolarHBondContact O-CA 3.47Å; P573-L600 HydrophobicContact CB-CB 4.1Å; P573-L600 HydrophobicContact CB-CD1 3.99Å; P573-L600 HydrophobicContact CB-CG 4.09Å; P573-L600 HydrophobicContact CG-CB 4.36Å; P573-L600 PolarHBondContact O-N 3.48Å; P573-F658 HydrophobicContact CG-CD2 3.94Å; P573-F658 HydrophobicContact CG-CE2 3.45Å; P573-F658 VanDerWaalsContact CG-CE2 3.45Å; P573-F658 HydrophobicContact CG-CZ 4.5Å
574	G	89.2	Confident	88.3	Confident	8 Å²	8	52.5 Å²	52.5	8%	0.082	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	144.9	171.5	0	0	0	0	0	112.5	Y572 M598	Y572-G574 PolarHBondContact O-N 2.67Å; Y572-G574 VanDerWaalsContact O-N 3.1Å; G574-M598 CarbonylContact C-O 3.57Å; G574-M598 WeakPolarHBondContact CA-O 3.38Å
575	R	91.5	Very high	88.5	Confident	39 Å²	39	52.1 Å²	52.1	15%	0.147	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	166	173	-66.5	-66.4	-175.3	-80.8	-4.2	110.9	Y588 S597 M598 L600	R575-Y588 HydrophobicContact CB-CE2 4.07Å; R575-Y588 WeakPolarHBondContact CD-OH 3.29Å; R575-Y588 HydrophobicContact CG-CE2 4.17Å; R575-Y588 WeakPolarHBondContact CG-OH 3.37Å; R575-Y588 PolarHBondContact NE-OH 3.47Å; R575-S597 PolarHBondContact O-N 2.98Å; R575-M598 HydrophobicContact CB-CB 4.27Å; R575-M598 HydrophobicContact CB-CE 4.38Å; R575-M598 PolarHBondContact N-O 3.46Å; R575-M598 PolarHBondContact O-N 3.17Å; R575-L600 HydrophobicContact CG-CD1 4.09Å; R575-L600 HydrophobicContact CG-CD2 3.78Å; R575-L600 HydrophobicContact CG-CG 3.93Å
576	L	90.4	Very high	88.6	Confident	3 Å²	3	52.2 Å²	52.2	2%	0.016	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	147.4	-174	-169.9	61.2	0	0	0	111.3	L578 E589 T593 E595 S597 V697	L576-L578 HydrophobicContact CD2-CD1 4.4Å; L576-L578 HydrophobicContact CD2-CD2 3.51Å; L576-L578 HydrophobicContact CD2-CG 3.97Å; L576-L578 HydrophobicContact CG-CD2 3.88Å; L576-L578 HydrophobicContact CG-CG 4.1Å; L576-E589 HydrophobicContact CB-CB 4.26Å; L576-E589 PolarHBondContact N-O 3.36Å; L576-E589 PolarHBondContact O-N 3.3Å; L576-T593 HydrophobicContact CD2-CG2 4.43Å; L576-E595 HydrophobicContact CD1-CB 4.09Å; L576-E595 HydrophobicContact CD2-CB 4.13Å; L576-S597 WeakPolarHBondContact CA-OG 3.47Å; L576-V697 HydrophobicContact CD1-CB 4.44Å; L576-V697 HydrophobicContact CD1-CG1 3.85Å; L576-V697 HydrophobicContact CD1-CG2 3.85Å
577	H	91.7	Very high	88.7	Confident	10 Å²	10	55.5 Å²	55.5	5%	0.046	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	135.6	162	72.1	-61.2	0	0	0	107.7	W586 K587 S597 M598 I683 L695	H577-W586 AromaticContact CD2-CE3 3.63Å; H577-W586 AromaticContact CD2-CZ3 3.72Å; H577-K587 WeakPolarHBondContact CA-O 3.33Å; H577-S597 PolarHBondContact N-OG 3.26Å; H577-S597 WeakPolarHBondContact ND1-CB 3.49Å; H577-S597 PolarHBondContact ND1-OG 3.03Å; H577-M598 HydrophobicContact CB-CE 4.18Å; H577-I683 HydrophobicContact CB-CD1 4.03Å; H577-L695 HydrophobicContact CB-CD1 4.08Å; H577-L695 VanDerWaalsContact CE1-CB 3.41Å; H577-L695 WeakPolarHBondContact CE1-CB 3.28Å
578	L	89.1	Confident	89	Confident	66 Å²	66	55.3 Å²	55.3	35%	0.346	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	148.9	178.8	-67.4	177.6	0	0	0	109.5	L576 W586 K587 E589	L576-L578 HydrophobicContact CD2-CD1 4.4Å; L576-L578 HydrophobicContact CD2-CD2 3.51Å; L576-L578 HydrophobicContact CD2-CG 3.97Å; L576-L578 HydrophobicContact CG-CD2 3.88Å; L576-L578 HydrophobicContact CG-CG 4.1Å; L578-W586 CarbonylContact O-C 3.58Å; L578-W586 WeakPolarHBondContact O-CA 3.5Å; L578-K587 PolarHBondContact N-O 2.92Å; L578-K587 PolarHBondContact O-N 2.89Å; L578-E589 HydrophobicContact CD1-CB 3.79Å; L578-E589 HydrophobicContact CD1-CG 3.83Å; L578-E589 HydrophobicContact CG-CB 4.15Å
579	W	87.4	Confident	88.9	Confident	107 Å²	107	53.6 Å²	53.6	41%	0.405	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	119.7	168.9	-176.7	-101.6	0	0	0	109.2	H581 G584 W586	W579-H581 AromaticContact CD1-CD2 3.94Å; W579-H581 AromaticContact CD1-CE1 3.52Å; W579-H581 AromaticContact CD1-CG 3.75Å; W579-H581 AromaticContact CD1-ND1 3.47Å; W579-H581 AromaticContact CD1-NE2 3.81Å; W579-H581 AromaticContact NE1-ND1 3.72Å; W579-H581 PolarHBondContact O-N 3.06Å; W579-G584 VanDerWaalsContact CH2-C 3.4Å; W579-G584 WeakPolarHBondContact CH2-O 3.49Å; W579-G584 VanDerWaalsContact CZ2-C 3.46Å; W579-W586 HydrophobicContact CB-CE3 4Å; W579-W586 HydrophobicContact CB-CH2 4.21Å; W579-W586 HydrophobicContact CB-CZ3 3.66Å; W579-W586 AromaticContact CE3-CD2 3.43Å; W579-W586 HydrophobicContact CE3-CD2 3.43Å; W579-W586 VanDerWaalsContact CE3-CD2 3.43Å; W579-W586 AromaticContact CE3-CE2 3.35Å; W579-W586 AromaticContact CE3-CE3 3.77Å; W579-W586 HydrophobicContact CE3-CE3 3.77Å; W579-W586 AromaticContact CE3-CG 3.9Å; W579-W586 HydrophobicContact CE3-CG 3.9Å; W579-W586 AromaticContact CE3-CH2 3.96Å; W579-W586 HydrophobicContact CE3-CH2 3.96Å; W579-W586 AromaticContact CE3-CZ2 3.64Å; W579-W586 HydrophobicContact CE3-CZ2 3.64Å; W579-W586 HydrophobicContact CE3-CZ3 4.03Å; W579-W586 AromaticContact CE3-NE1 3.76Å; W579-W586 HydrophobicContact CG-CZ3 4.47Å; W579-W586 AromaticContact CZ3-CD1 3.76Å; W579-W586 AromaticContact CZ3-CD2 3.93Å; W579-W586 HydrophobicContact CZ3-CD2 3.93Å; W579-W586 AromaticContact CZ3-CE2 3.57Å; W579-W586 HydrophobicContact CZ3-CG 4.05Å; W579-W586 HydrophobicContact CZ3-CZ2 4.04Å; W579-W586 AromaticContact CZ3-NE1 3.47Å
580	D	83.2	Confident	88.3	Confident	41 Å²	41	55.5 Å²	55.5	22%	0.219	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	107.8	170.8	-170.5	-36.8	0	0	0	108.7	E582 M583 G584 K585	D580-E582 VanDerWaalsContact C-N 3.28Å; D580-E582 PolarHBondContact O-N 3.44Å; D580-E582 WeakPolarHBondContact OD1-CA 3.44Å; D580-E582 WeakPolarHBondContact OD1-CB 3.47Å; D580-E582 PolarHBondContact OD1-N 3.12Å; D580-M583 HydrophobicContact CB-CB 4.33Å; D580-M583 PolarHBondContact OD1-N 3.02Å; D580-G584 WeakPolarHBondContact O-CA 3.37Å; D580-G584 PolarHBondContact O-N 2.99Å; D580-K585 WeakPolarHBondContact CB-O 3.19Å; D580-K585 PolarHBondContact N-O 3.2Å; D580-K585 PolarHBondContact O-N 2.91Å
581	H	81.8	Confident	87.3	Confident	163 Å²	163	62.1 Å²	62.1	76%	0.755	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-25	-179.8	-73.3	-79.4	0	0	0	113.4	W579	W579-H581 AromaticContact CD1-CD2 3.94Å; W579-H581 AromaticContact CD1-CE1 3.52Å; W579-H581 AromaticContact CD1-CG 3.75Å; W579-H581 AromaticContact CD1-ND1 3.47Å; W579-H581 AromaticContact CD1-NE2 3.81Å; W579-H581 AromaticContact NE1-ND1 3.72Å; W579-H581 PolarHBondContact O-N 3.06Å
582	E	84.1	Confident	86	Confident	184 Å²	184	67.3 Å²	67.3	86%	0.86	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-41.8	-179.6	-60.5	-174.3	171.8	0	0	110.6	D580	D580-E582 VanDerWaalsContact C-N 3.28Å; D580-E582 PolarHBondContact O-N 3.44Å; D580-E582 WeakPolarHBondContact OD1-CA 3.44Å; D580-E582 WeakPolarHBondContact OD1-CB 3.47Å; D580-E582 PolarHBondContact OD1-N 3.12Å
583	M	81.2	Confident	85.2	Confident	139 Å²	139	69.7 Å²	69.7	69%	0.685	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-12.8	-179.4	-60.4	-163.5	-175.9	0	0	114	D580 K585	D580-M583 HydrophobicContact CB-CB 4.33Å; D580-M583 PolarHBondContact OD1-N 3.02Å; M583-K585 VanDerWaalsContact C-N 3.26Å; M583-K585 HydrophobicContact CB-CB 4.47Å; M583-K585 PolarHBondContact O-N 2.62Å
584	G	85.4	Confident	84.8	Confident	41 Å²	41	75.6 Å²	75.6	42%	0.423	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.2	34.9	-175.6	0	0	0	0	0	112.7	W579 D580	W579-G584 VanDerWaalsContact CH2-C 3.4Å; W579-G584 WeakPolarHBondContact CH2-O 3.49Å; W579-G584 VanDerWaalsContact CZ2-C 3.46Å; D580-G584 WeakPolarHBondContact O-CA 3.37Å; D580-G584 PolarHBondContact O-N 2.99Å
585	K	89.1	Confident	84.7	Confident	125 Å²	125	78.9 Å²	78.9	54%	0.543	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	157.8	-174.7	-73.5	-177	-178.1	179.8	0	111.1	D580 M583	D580-K585 WeakPolarHBondContact CB-O 3.19Å; D580-K585 PolarHBondContact N-O 3.2Å; D580-K585 PolarHBondContact O-N 2.91Å; M583-K585 VanDerWaalsContact C-N 3.26Å; M583-K585 HydrophobicContact CB-CB 4.47Å; M583-K585 PolarHBondContact O-N 2.62Å
586	W	89.5	Confident	84.7	Confident	66 Å²	66	77.2 Å²	77.2	25%	0.25	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	140.2	170.9	-61.1	102.2	0	0	0	110.9	H577 L578 W579 I683 N684 M693	H577-W586 AromaticContact CD2-CE3 3.63Å; H577-W586 AromaticContact CD2-CZ3 3.72Å; L578-W586 CarbonylContact O-C 3.58Å; L578-W586 WeakPolarHBondContact O-CA 3.5Å; W579-W586 HydrophobicContact CB-CE3 4Å; W579-W586 HydrophobicContact CB-CH2 4.21Å; W579-W586 HydrophobicContact CB-CZ3 3.66Å; W579-W586 AromaticContact CE3-CD2 3.43Å; W579-W586 HydrophobicContact CE3-CD2 3.43Å; W579-W586 VanDerWaalsContact CE3-CD2 3.43Å; W579-W586 AromaticContact CE3-CE2 3.35Å; W579-W586 AromaticContact CE3-CE3 3.77Å; W579-W586 HydrophobicContact CE3-CE3 3.77Å; W579-W586 AromaticContact CE3-CG 3.9Å; W579-W586 HydrophobicContact CE3-CG 3.9Å; W579-W586 AromaticContact CE3-CH2 3.96Å; W579-W586 HydrophobicContact CE3-CH2 3.96Å; W579-W586 AromaticContact CE3-CZ2 3.64Å; W579-W586 HydrophobicContact CE3-CZ2 3.64Å; W579-W586 HydrophobicContact CE3-CZ3 4.03Å; W579-W586 AromaticContact CE3-NE1 3.76Å; W579-W586 HydrophobicContact CG-CZ3 4.47Å; W579-W586 AromaticContact CZ3-CD1 3.76Å; W579-W586 AromaticContact CZ3-CD2 3.93Å; W579-W586 HydrophobicContact CZ3-CD2 3.93Å; W579-W586 AromaticContact CZ3-CE2 3.57Å; W579-W586 HydrophobicContact CZ3-CG 4.05Å; W579-W586 HydrophobicContact CZ3-CZ2 4.04Å; W579-W586 AromaticContact CZ3-NE1 3.47Å; W586-I683 HydrophobicContact CB-CB 4.41Å; W586-I683 HydrophobicContact CB-CG2 3.47Å; W586-I683 VanDerWaalsContact CB-CG2 3.47Å; W586-I683 HydrophobicContact CG-CG2 4.08Å; W586-N684 PolarHBondContact N-OD1 2.93Å; W586-N684 PolarHBondContact O-ND2 3.19Å; W586-M693 HydrophobicContact CB-CE 4.15Å; W586-M693 HydrophobicContact CD2-CE 3.38Å; W586-M693 VanDerWaalsContact CE2-CE 3.44Å; W586-M693 HydrophobicContact CE3-CE 4.12Å; W586-M693 HydrophobicContact CG-CE 3.36Å; W586-M693 HydrophobicContact CH2-CB 4.41Å; W586-M693 HydrophobicContact CH2-CG 4.2Å; W586-M693 HydrophobicContact CZ2-CB 3.81Å; W586-M693 HydrophobicContact CZ2-CE 4.22Å; W586-M693 HydrophobicContact CZ2-CG 3.97Å
587	K	89.9	Confident	84.7	Confident	87 Å²	87	77 Å²	77	38%	0.378	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	138.1	177.9	-177.2	-174.1	173.6	-151.2	0	109.8	H577 L578 E589	H577-K587 WeakPolarHBondContact CA-O 3.33Å; L578-K587 PolarHBondContact N-O 2.92Å; L578-K587 PolarHBondContact O-N 2.89Å; K587-E589 IonicContact NZ-OE2 3.03Å; K587-E589 PolarHBondContact NZ-OE2 2.97Å
588	Y	91.7	Very high	84.9	Confident	10 Å²	10	76.6 Å²	76.6	4%	0.039	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	126.5	168	177	-91.1	0	0	0	109.5	R575 M598 I635 M676 R679 S680 I683	R575-Y588 HydrophobicContact CB-CE2 4.07Å; R575-Y588 WeakPolarHBondContact CD-OH 3.29Å; R575-Y588 HydrophobicContact CG-CE2 4.17Å; R575-Y588 WeakPolarHBondContact CG-OH 3.37Å; R575-Y588 PolarHBondContact NE-OH 3.47Å; Y588-M598 HydrophobicContact CD2-CE 3.9Å; Y588-M598 HydrophobicContact CE2-CE 4.11Å; Y588-I635 HydrophobicContact CD2-CD1 3.94Å; Y588-I635 HydrophobicContact CE2-CD1 4.18Å; Y588-M676 HydrophobicContact CD1-SD 4.01Å; Y588-M676 HydrophobicContact CE1-SD 3.72Å; Y588-R679 HydrophobicContact CD1-CB 4.07Å; Y588-R679 HydrophobicContact CD2-CB 4.11Å; Y588-R679 HydrophobicContact CG-CB 3.81Å; Y588-R679 PolarHBondContact OH-NH1 3.36Å; Y588-S680 PolarHBondContact N-OG 2.86Å; Y588-I683 HydrophobicContact CD2-CD1 4.07Å; Y588-I683 HydrophobicContact CG-CD1 4.4Å
589	E	86.8	Confident	85.1	Confident	22 Å²	22	73.5 Å²	73.5	10%	0.103	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	130.1	178.9	-170.5	52.3	-96.2	0	0	111.2	L576 L578 K587 E591	L576-E589 HydrophobicContact CB-CB 4.26Å; L576-E589 PolarHBondContact N-O 3.36Å; L576-E589 PolarHBondContact O-N 3.3Å; L578-E589 HydrophobicContact CD1-CB 3.79Å; L578-E589 HydrophobicContact CD1-CG 3.83Å; L578-E589 HydrophobicContact CG-CB 4.15Å; K587-E589 IonicContact NZ-OE2 3.03Å; K587-E589 PolarHBondContact NZ-OE2 2.97Å; E589-E591 HydrophobicContact CG-CB 4.13Å; E589-E591 WeakPolarHBondContact OE1-CG 3.43Å; E589-E591 PolarHBondContact OE1-N 3.13Å
590	S	82.8	Confident	85.3	Confident	40 Å²	40	69.4 Å²	69.4	28%	0.28	34%	0.34	S	S	.	.			trans	-108.1	-8.5	-178.1	72.7	0	0	0	0	113.3
591	E	74.9	Confident	85.8	Confident	139 Å²	139	67.4 Å²	67.4	65%	0.65	33%	0.33	S	S	*	.	S	Bend	trans	-62.9	154.8	173.6	-74	-170.3	176	0	0	113.2	E589 T593	E589-E591 HydrophobicContact CG-CB 4.13Å; E589-E591 WeakPolarHBondContact OE1-CG 3.43Å; E589-E591 PolarHBondContact OE1-N 3.13Å; E591-T593 PolarHBondContact O-N 2.83Å
592	W	67.2	Low	86.3	Confident	109 Å²	109	60 Å²	60	41%	0.413	30%	0.297	S	S	.	.			trans	-89.2	90.1	-172.8	-47.6	98.5	0	0	0	110.5	K656 K657	W592-K656 HydrophobicContact CD2-CB 4.36Å; W592-K656 HydrophobicContact CE3-CB 4.03Å; W592-K656 HydrophobicContact CH2-CB 4.35Å; W592-K656 WeakPolarHBondContact CH2-O 3.47Å; W592-K656 HydrophobicContact CZ3-CB 4.01Å; W592-K656 WeakPolarHBondContact CZ3-O 3.43Å; W592-K657 HydrophobicContact CH2-CG 3.89Å; W592-K657 HydrophobicContact CZ2-CD 4.25Å; W592-K657 VanDerWaalsContact CZ2-CE 3.48Å; W592-K657 HydrophobicContact CZ2-CG 3.72Å
593	T	74.1	Confident	86.7	Confident	51 Å²	51	51.2 Å²	51.2	31%	0.313	26%	0.256	S	S	.	.			trans	-98	168.9	170.2	65.6	0	0	0	0	110.7	L576 E591 E595	L576-T593 HydrophobicContact CD2-CG2 4.43Å; E591-T593 PolarHBondContact O-N 2.83Å; T593-E595 PolarHBondContact O-N 2.76Å; T593-E595 PolarHBondContact OG1-N 3.01Å; T593-E595 PolarHBondContact OG1-O 3.36Å
594	N	80.5	Confident	87.4	Confident	137 Å²	137	44.6 Å²	44.6	73%	0.733	22%	0.224	S	C	*	.	S	Bend	trans	-71.6	-16.4	168.3	-68.7	-26.5	0	0	0	111.7
595	E	86.9	Confident	88	Confident	77 Å²	77	42.7 Å²	42.7	36%	0.36	20%	0.203	S	C	.	.			trans	-86.4	139.7	-179.4	-66.8	179	133.9	0	0	111.7	L576 T593 V697 V698 E699	L576-E595 HydrophobicContact CD1-CB 4.09Å; L576-E595 HydrophobicContact CD2-CB 4.13Å; T593-E595 PolarHBondContact O-N 2.76Å; T593-E595 PolarHBondContact OG1-N 3.01Å; T593-E595 PolarHBondContact OG1-O 3.36Å; E595-V697 HydrophobicContact CB-CG1 3.65Å; E595-V697 HydrophobicContact CG-CG1 3.87Å; E595-V698 CarbonylContact C-O 3.55Å; E595-V698 WeakPolarHBondContact CA-O 3.36Å; E595-E699 HydrophobicContact CG-CG 3.8Å
596	V	90.6	Very high	88.3	Confident	4 Å²	4	36.7 Å²	36.7	2%	0.024	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-137.1	136	176.6	-179.2	0	0	0	0	108.4	M598 V599 K651 V698	V596-M598 VanDerWaalsContact CG1-O 3.25Å; V596-M598 WeakPolarHBondContact CG1-O 3.38Å; V596-V599 HydrophobicContact CG1-CG2 4.43Å; V596-K651 HydrophobicContact CG2-CB 4.37Å; V596-K651 HydrophobicContact CG2-CD 3.76Å; V596-V698 PolarHBondContact N-O 2.94Å; V596-V698 WeakPolarHBondContact O-CG2 3.47Å; V596-V698 PolarHBondContact O-N 3.44Å
597	S	90.9	Very high	88.4	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.168	C	C	.	.	S	Bend	trans	-125.2	-12.6	169.7	66.5	0	0	0	0	113.4	R575 L576 H577 P649 K696	R575-S597 PolarHBondContact O-N 2.98Å; L576-S597 WeakPolarHBondContact CA-OG 3.47Å; H577-S597 PolarHBondContact N-OG 3.26Å; H577-S597 WeakPolarHBondContact ND1-CB 3.49Å; H577-S597 PolarHBondContact ND1-OG 3.03Å; S597-P649 WeakPolarHBondContact O-CD 3.32Å; S597-K696 WeakPolarHBondContact CA-O 3.42Å; S597-K696 WeakPolarHBondContact CB-O 3.21Å
598	M	94.8	Very high	88.5	Confident	1 Å²	1	33 Å²	33	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	147.7	180	-67	177.3	-77	0	0	110.4	G574 R575 H577 Y588 V596 I635 N638 I683 L695	G574-M598 CarbonylContact C-O 3.57Å; G574-M598 WeakPolarHBondContact CA-O 3.38Å; R575-M598 HydrophobicContact CB-CB 4.27Å; R575-M598 HydrophobicContact CB-CE 4.38Å; R575-M598 PolarHBondContact N-O 3.46Å; R575-M598 PolarHBondContact O-N 3.17Å; H577-M598 HydrophobicContact CB-CE 4.18Å; Y588-M598 HydrophobicContact CD2-CE 3.9Å; Y588-M598 HydrophobicContact CE2-CE 4.11Å; V596-M598 VanDerWaalsContact CG1-O 3.25Å; V596-M598 WeakPolarHBondContact CG1-O 3.38Å; M598-I635 HydrophobicContact SD-CB 4.48Å; M598-I635 HydrophobicContact SD-CG1 4.12Å; M598-I635 HydrophobicContact SD-CG2 4.14Å; M598-N638 VanDerWaalsContact CA-OD1 3.27Å; M598-N638 WeakPolarHBondContact CA-OD1 3.16Å; M598-N638 HydrophobicContact CB-CB 4.34Å; M598-N638 HydrophobicContact CG-CB 3.9Å; M598-I683 HydrophobicContact CE-CD1 4.09Å; M598-L695 HydrophobicContact CE-CD1 4.15Å; M598-L695 HydrophobicContact CG-CD1 3.67Å; M598-L695 HydrophobicContact CG-CD2 3.98Å; M598-L695 HydrophobicContact CG-CG 4.45Å; M598-L695 HydrophobicContact SD-CD1 3.59Å; M598-L695 VanDerWaalsContact SD-CD1 3.59Å
599	V	93.6	Very high	88.4	Confident	0 Å²	0	34 Å²	34	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	129.8	167.6	167.3	0	0	0	0	108.7	G571 P573 V596 T601 A604 N638 P649	G571-V599 VanDerWaalsContact CA-CG1 3.46Å; P573-V599 WeakPolarHBondContact O-CA 3.47Å; V596-V599 HydrophobicContact CG1-CG2 4.43Å; V599-T601 PolarHBondContact O-N 2.68Å; V599-A604 HydrophobicContact CG1-CB 3.95Å; V599-N638 PolarHBondContact N-OD1 2.98Å; V599-N638 PolarHBondContact O-ND2 3.05Å; V599-P649 HydrophobicContact CB-CB 4.18Å; V599-P649 HydrophobicContact CG2-CB 3.8Å; V599-P649 HydrophobicContact CG2-CG 4.19Å
600	L	93	Very high	88.7	Confident	21 Å²	21	33 Å²	33	11%	0.11	16%	0.162	C	C	.	.			trans	-71.1	130.1	-179.5	-54.6	-175.6	0	0	0	110.7	P573 R575 G602 A603 D634	P573-L600 HydrophobicContact CB-CB 4.1Å; P573-L600 HydrophobicContact CB-CD1 3.99Å; P573-L600 HydrophobicContact CB-CG 4.09Å; P573-L600 HydrophobicContact CG-CB 4.36Å; P573-L600 PolarHBondContact O-N 3.48Å; R575-L600 HydrophobicContact CG-CD1 4.09Å; R575-L600 HydrophobicContact CG-CD2 3.78Å; R575-L600 HydrophobicContact CG-CG 3.93Å; L600-G602 PolarHBondContact O-N 3.31Å; L600-A603 PolarHBondContact O-N 3.08Å; L600-D634 HydrophobicContact CD2-CB 4.43Å; L600-D634 VanDerWaalsContact CD2-OD2 3.24Å; L600-D634 WeakPolarHBondContact CD2-OD2 3.44Å
601	T	93.8	Very high	89.2	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-1.4	-176.4	41.2	0	0	0	0	113.7	R528 F529 A542 L569 V599 A603 D634 M637	R528-T601 PolarHBondContact NH2-OG1 2.95Å; F529-T601 HydrophobicContact CE1-CG2 4.33Å; F529-T601 HydrophobicContact CZ-CG2 4.18Å; F529-T601 WeakPolarHBondContact CZ-OG1 3.29Å; A542-T601 CarbonylContact C-O 3.48Å; A542-T601 WeakPolarHBondContact CB-O 3.39Å; A542-T601 VanDerWaalsContact O-O 3.05Å; L569-T601 HydrophobicContact CD2-CG2 3.72Å; V599-T601 PolarHBondContact O-N 2.68Å; T601-A603 PolarHBondContact O-N 2.7Å; T601-D634 VanDerWaalsContact OG1-CA 3.32Å; T601-D634 WeakPolarHBondContact OG1-CA 3.48Å; T601-D634 VanDerWaalsContact OG1-CB 3.23Å; T601-D634 WeakPolarHBondContact OG1-CB 3.48Å; T601-M637 HydrophobicContact CG2-CB 4.13Å; T601-M637 HydrophobicContact CG2-CG 3.98Å
602	G	90.8	Very high	90.1	Very high	7 Å²	7	28.6 Å²	28.6	7%	0.072	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-8	167.1	0	0	0	0	0	114.4	I543 D544 L600	I543-G602 CarbonylContact C-O 3.43Å; I543-G602 VanDerWaalsContact CA-O 3.22Å; I543-G602 WeakPolarHBondContact CA-O 3.33Å; D544-G602 PolarHBondContact N-O 3.01Å; D544-G602 WeakPolarHBondContact OD1-CA 3.41Å; D544-G602 VanDerWaalsContact OD2-CA 3.24Å; D544-G602 WeakPolarHBondContact OD2-CA 3.49Å; L600-G602 PolarHBondContact O-N 3.31Å
603	A	93.4	Very high	91.2	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	79.5	163.1	0	0	0	0	0	108.9	A542 I547 L550 G571 Y572 L600 T601 F658	A542-A603 WeakPolarHBondContact O-CA 3.42Å; I547-A603 HydrophobicContact CG2-CB 4.5Å; L550-A603 HydrophobicContact CD1-CB 3.93Å; G571-A603 WeakPolarHBondContact CA-O 3.41Å; Y572-A603 HydrophobicContact CD2-CB 3.75Å; Y572-A603 VanDerWaalsContact CD2-O 3.26Å; Y572-A603 WeakPolarHBondContact CD2-O 3.44Å; Y572-A603 HydrophobicContact CE2-CB 4.39Å; Y572-A603 PolarHBondContact N-O 3.42Å; L600-A603 PolarHBondContact O-N 3.08Å; T601-A603 PolarHBondContact O-N 2.7Å; A603-F658 HydrophobicContact CB-CE2 3.76Å; A603-F658 HydrophobicContact CB-CZ 4.27Å
604	A	95.9	Very high	92.2	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	145.8	-179.5	0	0	0	0	0	113.5	A542 L569 V570 V599	A542-A604 PolarHBondContact N-O 3.23Å; A542-A604 PolarHBondContact O-N 3.28Å; L569-A604 HydrophobicContact CD2-CB 4.22Å; V570-A604 CarbonylContact O-C 3.56Å; V570-A604 WeakPolarHBondContact O-CA 3.5Å; V599-A604 HydrophobicContact CG1-CB 3.95Å
605	F	96.8	Very high	92.9	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	137.2	167.9	-66.5	-86.8	0	0	0	111	F462 V540 L541 L555 Y559 W562 V570	F462-F605 HydrophobicContact CB-CE1 4.33Å; F462-F605 AromaticContact CD1-CE1 3.87Å; F462-F605 HydrophobicContact CD1-CE1 3.87Å; F462-F605 AromaticContact CD2-CE1 3.83Å; F462-F605 HydrophobicContact CD2-CE1 3.83Å; F462-F605 HydrophobicContact CE1-CE1 4.04Å; F462-F605 HydrophobicContact CE1-CZ 4.3Å; F462-F605 HydrophobicContact CE2-CE1 4.01Å; F462-F605 HydrophobicContact CE2-CZ 4.42Å; F462-F605 AromaticContact CG-CE1 3.76Å; F462-F605 HydrophobicContact CG-CE1 3.76Å; F462-F605 HydrophobicContact CZ-CE1 4.12Å; F462-F605 HydrophobicContact CZ-CZ 4.24Å; V540-F605 VanDerWaalsContact O-CA 3.28Å; V540-F605 WeakPolarHBondContact O-CA 3.33Å; L541-F605 HydrophobicContact CB-CD1 3.93Å; L541-F605 HydrophobicContact CB-CE1 3.66Å; L541-F605 HydrophobicContact CB-CZ 4.19Å; L541-F605 HydrophobicContact CD1-CD1 4.31Å; L541-F605 HydrophobicContact CD1-CD2 4.11Å; L541-F605 HydrophobicContact CD1-CE1 4.07Å; L541-F605 HydrophobicContact CD1-CE2 3.84Å; L541-F605 HydrophobicContact CD1-CG 4.33Å; L541-F605 HydrophobicContact CD1-CZ 3.83Å; L541-F605 HydrophobicContact CD2-CE1 4.36Å; L541-F605 HydrophobicContact CD2-CZ 4.12Å; L541-F605 HydrophobicContact CG-CE1 4.23Å; L541-F605 HydrophobicContact CG-CZ 4.26Å; L555-F605 WeakPolarHBondContact O-CZ 3.45Å; Y559-F605 HydrophobicContact CD2-CD1 4.37Å; Y559-F605 HydrophobicContact CD2-CE1 4.22Å; Y559-F605 HydrophobicContact CG-CE1 4.48Å; W562-F605 HydrophobicContact CB-CB 3.75Å; W562-F605 HydrophobicContact CB-CG 4.36Å; W562-F605 HydrophobicContact CG-CB 3.77Å; V570-F605 HydrophobicContact CB-CB 4.45Å; V570-F605 PolarHBondContact N-O 3.46Å; V570-F605 PolarHBondContact O-N 3.45Å
606	Y	95.4	Very high	93	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	167.2	172.5	60.6	-88.4	0	0	0	110.3	F529 V540 A542 L569 F610 N611	F529-Y606 HydrophobicContact CE1-CE1 4.36Å; V540-Y606 HydrophobicContact CB-CD2 4.38Å; V540-Y606 HydrophobicContact CB-CE1 4.36Å; V540-Y606 HydrophobicContact CB-CE2 3.88Å; V540-Y606 HydrophobicContact CG1-CE1 4.19Å; V540-Y606 HydrophobicContact CG1-CE2 4.12Å; V540-Y606 WeakPolarHBondContact CG1-OH 3.43Å; V540-Y606 HydrophobicContact CG2-CE2 4.41Å; V540-Y606 PolarHBondContact N-O 3.22Å; V540-Y606 PolarHBondContact O-N 2.97Å; A542-Y606 HydrophobicContact CB-CE1 3.64Å; L569-Y606 HydrophobicContact CD2-CD1 4.26Å; L569-Y606 HydrophobicContact CD2-CG 4.41Å; Y606-F610 HydrophobicContact CD2-CB 4.15Å; Y606-F610 HydrophobicContact CD2-CD2 4.49Å; Y606-N611 WeakPolarHBondContact CE2-OD1 3.49Å; Y606-N611 PolarHBondContact OH-OD1 3.14Å
607	H	92.7	Very high	93	Very high	12 Å²	12	24.1 Å²	24.1	6%	0.056	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	137.6	179.9	-162.3	-81.7	0	0	0	112.2	P449 L450 E538 W562 Y609 F610	P449-H607 WeakPolarHBondContact CG-CE1 3.02Å; L450-H607 HydrophobicContact CD2-CB 3.42Å; L450-H607 VanDerWaalsContact CD2-CB 3.42Å; L450-H607 VanDerWaalsContact CD2-CD2 3.46Å; L450-H607 WeakPolarHBondContact CD2-CD2 3.2Å; L450-H607 HydrophobicContact CG-CB 4.49Å; E538-H607 CarbonylContact O-C 3.35Å; E538-H607 WeakPolarHBondContact O-CA 3.45Å; E538-H607 IonicContact OE2-CE1 3.02Å; E538-H607 PolarHBondContact OE2-CE1 3.46Å; E538-H607 IonicContact OE2-ND1 2.74Å; E538-H607 IonicContact OE2-NE2 3.32Å; E538-H607 PolarHBondContact OE2-NE2 3.11Å; E538-H607 VanDerWaalsContact OE2-NE2 3.16Å; W562-H607 HydrophobicContact CZ2-CB 4.09Å; W562-H607 AromaticContact CZ2-CD2 3.82Å; H607-Y609 WeakPolarHBondContact ND1-CB 3.44Å; H607-Y609 PolarHBondContact ND1-N 3.37Å; H607-Y609 VanDerWaalsContact ND1-N 3.19Å; H607-Y609 PolarHBondContact O-N 3.48Å; H607-F610 HydrophobicContact CB-CD2 4.08Å; H607-F610 HydrophobicContact CB-CE2 4.26Å; H607-F610 WeakPolarHBondContact O-CB 3.45Å; H607-F610 PolarHBondContact O-N 3.02Å
608	K	91.3	Very high	93	Very high	62 Å²	62	25.2 Å²	25.2	27%	0.27	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-25	179.4	71.6	172.2	172.1	-152.9	0	113.9	I535 E536 T537 E538 V540 F610 N611	I535-K608 HydrophobicContact CG2-CB 4.08Å; E536-K608 PolarHBondContact O-NZ 2.76Å; T537-K608 WeakPolarHBondContact O-CD 3.36Å; E538-K608 VanDerWaalsContact CD-CE 3.45Å; E538-K608 PolarHBondContact O-N 2.66Å; E538-K608 WeakPolarHBondContact OE1-CE 3.28Å; E538-K608 IonicContact OE1-NZ 2.77Å; E538-K608 PolarHBondContact OE1-NZ 3.05Å; E538-K608 WeakPolarHBondContact OE2-CE 3.24Å; E538-K608 IonicContact OE2-NZ 3.47Å; V540-K608 HydrophobicContact CG2-CB 3.86Å; K608-F610 PolarHBondContact O-N 2.94Å; K608-N611 VanDerWaalsContact O-CB 3.25Å; K608-N611 WeakPolarHBondContact O-CB 3.32Å; K608-N611 PolarHBondContact O-N 3.16Å
609	Y	89.4	Confident	92.6	Very high	32 Å²	32	27.2 Å²	27.2	13%	0.125	12%	0.124	C	C	.	.	H	α-helix	trans	-56.4	-34	174.7	-179.1	-122.7	0	0	0	112.7	V446 S448 P449 L450 H607 N611 Y612 L613	V446-Y609 HydrophobicContact CB-CE2 4.49Å; V446-Y609 HydrophobicContact CG1-CE2 3.67Å; S448-Y609 VanDerWaalsContact CB-CE1 3.47Å; S448-Y609 VanDerWaalsContact OG-CE1 3.25Å; S448-Y609 WeakPolarHBondContact OG-CE1 3.41Å; P449-Y609 HydrophobicContact CG-CD1 4.36Å; P449-Y609 HydrophobicContact CG-CD2 4.34Å; P449-Y609 HydrophobicContact CG-CG 3.94Å; L450-Y609 HydrophobicContact CD1-CD1 3.83Å; L450-Y609 HydrophobicContact CG-CD1 4.11Å; H607-Y609 WeakPolarHBondContact ND1-CB 3.44Å; H607-Y609 PolarHBondContact ND1-N 3.37Å; H607-Y609 VanDerWaalsContact ND1-N 3.19Å; H607-Y609 PolarHBondContact O-N 3.48Å; Y609-N611 VanDerWaalsContact C-N 3.27Å; Y609-N611 PolarHBondContact O-N 3.09Å; Y609-Y612 HydrophobicContact CE2-CD1 4.43Å; Y609-Y612 WeakPolarHBondContact O-CB 3.42Å; Y609-Y612 PolarHBondContact O-N 3.26Å; Y609-L613 HydrophobicContact CD1-CD1 3.56Å; Y609-L613 HydrophobicContact CD1-CG 4.26Å; Y609-L613 HydrophobicContact CE1-CD1 3.22Å; Y609-L613 HydrophobicContact CE1-CD2 4.27Å; Y609-L613 HydrophobicContact CE1-CG 3.87Å; Y609-L613 HydrophobicContact CE2-CD1 4.39Å; Y609-L613 HydrophobicContact CE2-CD2 4.34Å; Y609-L613 HydrophobicContact CE2-CG 4.15Å; Y609-L613 HydrophobicContact CG-CD1 4.29Å; Y609-L613 PolarHBondContact O-N 3.49Å; Y609-L613 VanDerWaalsContact O-N 3.08Å
610	F	93.1	Very high	92.4	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-68.2	-24.2	176	-64.6	-57.5	0	0	0	113	L450 Y606 H607 K608 L613 Y614 M637 V641 T645	L450-F610 HydrophobicContact CD1-CD1 4.24Å; L450-F610 HydrophobicContact CD1-CD2 4.28Å; L450-F610 HydrophobicContact CD1-CE1 3.44Å; L450-F610 VanDerWaalsContact CD1-CE1 3.44Å; L450-F610 HydrophobicContact CD1-CE2 3.51Å; L450-F610 HydrophobicContact CD1-CZ 3.03Å; L450-F610 HydrophobicContact CD2-CE2 4.49Å; L450-F610 HydrophobicContact CG-CZ 4.42Å; Y606-F610 HydrophobicContact CD2-CB 4.15Å; Y606-F610 HydrophobicContact CD2-CD2 4.49Å; H607-F610 HydrophobicContact CB-CD2 4.08Å; H607-F610 HydrophobicContact CB-CE2 4.26Å; H607-F610 WeakPolarHBondContact O-CB 3.45Å; H607-F610 PolarHBondContact O-N 3.02Å; K608-F610 PolarHBondContact O-N 2.94Å; F610-L613 HydrophobicContact CD1-CD1 3.85Å; F610-L613 HydrophobicContact CE1-CD1 4.31Å; F610-L613 PolarHBondContact O-N 2.98Å; F610-Y614 WeakPolarHBondContact O-CB 3.49Å; F610-Y614 PolarHBondContact O-N 3.25Å; F610-M637 HydrophobicContact CB-CE 4.49Å; F610-M637 HydrophobicContact CB-SD 3.91Å; F610-V641 HydrophobicContact CD1-CG2 3.74Å; F610-V641 HydrophobicContact CD2-CG2 3.87Å; F610-V641 HydrophobicContact CE1-CB 4.19Å; F610-V641 HydrophobicContact CE1-CG1 4.31Å; F610-V641 HydrophobicContact CE1-CG2 3.68Å; F610-V641 HydrophobicContact CE2-CG1 4.1Å; F610-V641 HydrophobicContact CE2-CG2 3.79Å; F610-V641 HydrophobicContact CG-CG2 3.82Å; F610-V641 HydrophobicContact CZ-CB 4.08Å; F610-V641 HydrophobicContact CZ-CG1 3.71Å; F610-V641 HydrophobicContact CZ-CG2 3.67Å; F610-T645 HydrophobicContact CZ-CG2 4.11Å
611	N	94.8	Very high	92.4	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-63.2	-45.4	170.7	-72.2	-14.9	0	0	0	111.5	F529 P531 Y606 K608 Y609 Y614 T615	F529-N611 WeakPolarHBondContact CA-OD1 3.49Å; F529-N611 CarbonylContact O-C 3.6Å; F529-N611 VanDerWaalsContact O-CA 3.22Å; F529-N611 WeakPolarHBondContact O-CA 3.5Å; F529-N611 WeakPolarHBondContact O-CB 3.39Å; F529-N611 PolarHBondContact O-OD1 3.06Å; P531-N611 HydrophobicContact CB-CB 4.07Å; Y606-N611 WeakPolarHBondContact CE2-OD1 3.49Å; Y606-N611 PolarHBondContact OH-OD1 3.14Å; K608-N611 VanDerWaalsContact O-CB 3.25Å; K608-N611 WeakPolarHBondContact O-CB 3.32Å; K608-N611 PolarHBondContact O-N 3.16Å; Y609-N611 VanDerWaalsContact C-N 3.27Å; Y609-N611 PolarHBondContact O-N 3.09Å; N611-Y614 PolarHBondContact O-N 3.04Å; N611-T615 VanDerWaalsContact O-CB 3.27Å; N611-T615 WeakPolarHBondContact O-CB 3.42Å; N611-T615 PolarHBondContact O-N 3.2Å; N611-T615 PolarHBondContact O-OG1 2.74Å
612	Y	92.5	Very high	92.4	Very high	86 Å²	86	32.5 Å²	32.5	34%	0.337	17%	0.169	S	C	.	.	H	α-helix	trans	-62.1	-46.7	176.4	178.7	-91.2	0	0	0	111.2	V446 Y609 T615 Y616 K617	V446-Y612 HydrophobicContact CG2-CE1 4.31Å; Y609-Y612 HydrophobicContact CE2-CD1 4.43Å; Y609-Y612 WeakPolarHBondContact O-CB 3.42Å; Y609-Y612 PolarHBondContact O-N 3.26Å; Y612-T615 PolarHBondContact O-N 3.13Å; Y612-Y616 AromaticContact CD2-CD2 3.38Å; Y612-Y616 HydrophobicContact CD2-CD2 3.38Å; Y612-Y616 AromaticContact CD2-CE2 3.77Å; Y612-Y616 HydrophobicContact CD2-CE2 3.77Å; Y612-Y616 AromaticContact CE2-CD2 3.48Å; Y612-Y616 HydrophobicContact CE2-CD2 3.48Å; Y612-Y616 VanDerWaalsContact CE2-CD2 3.48Å; Y612-Y616 AromaticContact CE2-CE2 3.98Å; Y612-Y616 HydrophobicContact CE2-CE2 3.98Å; Y612-Y616 HydrophobicContact CE2-CG 4.31Å; Y612-Y616 AromaticContact CG-CD2 4Å; Y612-Y616 HydrophobicContact CG-CD2 4Å; Y612-Y616 WeakPolarHBondContact O-CB 3.25Å; Y612-Y616 WeakPolarHBondContact O-CD2 3.27Å; Y612-Y616 PolarHBondContact O-N 3.45Å; Y612-K617 HydrophobicContact CE1-CG 4.19Å
613	L	91.2	Very high	92.6	Very high	12 Å²	12	34.5 Å²	34.5	6%	0.063	18%	0.175	C	C	.	.	H	α-helix	trans	-65	-44.5	179.5	-70	170.6	0	0	0	112.2	Y609 F610 T615 K617 M618 L640 I644	Y609-L613 HydrophobicContact CD1-CD1 3.56Å; Y609-L613 HydrophobicContact CD1-CG 4.26Å; Y609-L613 HydrophobicContact CE1-CD1 3.22Å; Y609-L613 HydrophobicContact CE1-CD2 4.27Å; Y609-L613 HydrophobicContact CE1-CG 3.87Å; Y609-L613 HydrophobicContact CE2-CD1 4.39Å; Y609-L613 HydrophobicContact CE2-CD2 4.34Å; Y609-L613 HydrophobicContact CE2-CG 4.15Å; Y609-L613 HydrophobicContact CG-CD1 4.29Å; Y609-L613 PolarHBondContact O-N 3.49Å; Y609-L613 VanDerWaalsContact O-N 3.08Å; F610-L613 HydrophobicContact CD1-CD1 3.85Å; F610-L613 HydrophobicContact CE1-CD1 4.31Å; F610-L613 PolarHBondContact O-N 2.98Å; L613-T615 VanDerWaalsContact C-N 3.28Å; L613-T615 PolarHBondContact O-N 2.88Å; L613-K617 HydrophobicContact CD2-CB 3.85Å; L613-K617 HydrophobicContact CD2-CG 4.01Å; L613-K617 CarbonylContact O-C 3.4Å; L613-K617 VanDerWaalsContact O-C 3.23Å; L613-K617 VanDerWaalsContact O-CA 3.29Å; L613-K617 WeakPolarHBondContact O-CA 3.27Å; L613-K617 PolarHBondContact O-N 3.08Å; L613-M618 PolarHBondContact O-N 3.11Å; L613-L640 HydrophobicContact CB-CD1 4.37Å; L613-L640 HydrophobicContact CB-CD2 3.9Å; L613-L640 HydrophobicContact CB-CG 4.49Å; L613-I644 HydrophobicContact CD1-CD1 3.34Å; L613-I644 HydrophobicContact CD2-CD1 4.44Å; L613-I644 HydrophobicContact CG-CD1 4.34Å
614	Y	95.5	Very high	92.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-61.2	-40.9	178.5	-168.3	-74	0	0	0	111.1	F529 F610 N611 M618 K623 E633 A636 M637 L640	F529-Y614 HydrophobicContact CB-CD1 3.9Å; F529-Y614 HydrophobicContact CB-CE1 4.41Å; F529-Y614 HydrophobicContact CB-CG 4.05Å; F529-Y614 HydrophobicContact CD2-CD1 4.02Å; F529-Y614 HydrophobicContact CD2-CD2 4.07Å; F529-Y614 AromaticContact CD2-CE1 3.77Å; F529-Y614 HydrophobicContact CD2-CE1 3.77Å; F529-Y614 AromaticContact CD2-CE2 3.79Å; F529-Y614 HydrophobicContact CD2-CE2 3.79Å; F529-Y614 HydrophobicContact CD2-CG 4.18Å; F529-Y614 AromaticContact CD2-CZ 3.64Å; F529-Y614 AromaticContact CE2-CE2 3.99Å; F529-Y614 HydrophobicContact CE2-CE2 3.99Å; F529-Y614 HydrophobicContact CG-CD1 4.36Å; F529-Y614 HydrophobicContact CG-CD2 4.48Å; F529-Y614 HydrophobicContact CG-CG 4.35Å; F610-Y614 WeakPolarHBondContact O-CB 3.49Å; F610-Y614 PolarHBondContact O-N 3.25Å; N611-Y614 PolarHBondContact O-N 3.04Å; Y614-M618 HydrophobicContact CD1-CE 4.17Å; Y614-M618 HydrophobicContact CD2-CE 3.19Å; Y614-M618 HydrophobicContact CE1-CE 4.28Å; Y614-M618 HydrophobicContact CE2-CE 3.38Å; Y614-M618 HydrophobicContact CG-CE 3.63Å; Y614-M618 WeakPolarHBondContact O-CB 3.44Å; Y614-K623 HydrophobicContact CE1-CG 4.35Å; Y614-E633 WeakPolarHBondContact OH-CA 3.13Å; Y614-E633 PolarHBondContact OH-O 2.9Å; Y614-A636 HydrophobicContact CE2-CB 3.87Å; Y614-M637 HydrophobicContact CD2-CB 4.25Å; Y614-M637 HydrophobicContact CD2-CE 3.48Å; Y614-M637 VanDerWaalsContact CD2-CE 3.48Å; Y614-M637 HydrophobicContact CD2-SD 3.84Å; Y614-M637 HydrophobicContact CE2-CB 4.14Å; Y614-M637 HydrophobicContact CE2-CE 4.25Å; Y614-M637 HydrophobicContact CG-CE 3.94Å; Y614-L640 HydrophobicContact CD2-CD2 4.22Å
615	T	93.9	Very high	92.5	Very high	24 Å²	24	42.8 Å²	42.8	15%	0.147	22%	0.215	C	C	.	.	H	α-helix	trans	-78.3	-42.6	-176.1	-60.6	0	0	0	0	112.7	F529 F530 P531 N611 Y612 L613	F529-T615 PolarHBondContact O-OG1 3.34Å; F530-T615 HydrophobicContact CD2-CG2 3.84Å; F530-T615 HydrophobicContact CE2-CG2 4.07Å; P531-T615 WeakPolarHBondContact CD-OG1 3.48Å; N611-T615 VanDerWaalsContact O-CB 3.27Å; N611-T615 WeakPolarHBondContact O-CB 3.42Å; N611-T615 PolarHBondContact O-N 3.2Å; N611-T615 PolarHBondContact O-OG1 2.74Å; Y612-T615 PolarHBondContact O-N 3.13Å; L613-T615 VanDerWaalsContact C-N 3.28Å; L613-T615 PolarHBondContact O-N 2.88Å
616	Y	90.7	Very high	92.4	Very high	123 Å²	123	42.8 Å²	42.8	48%	0.482	22%	0.215	S	C	.	.	H	α-helix	trans	-116.4	-13.4	-167.3	-56.7	-64.3	0	0	0	115.2	P531 Y612	P531-Y616 HydrophobicContact CG-CD2 4.35Å; P531-Y616 HydrophobicContact CG-CE2 3.49Å; P531-Y616 VanDerWaalsContact CG-CE2 3.49Å; Y612-Y616 AromaticContact CD2-CD2 3.38Å; Y612-Y616 HydrophobicContact CD2-CD2 3.38Å; Y612-Y616 AromaticContact CD2-CE2 3.77Å; Y612-Y616 HydrophobicContact CD2-CE2 3.77Å; Y612-Y616 AromaticContact CE2-CD2 3.48Å; Y612-Y616 HydrophobicContact CE2-CD2 3.48Å; Y612-Y616 VanDerWaalsContact CE2-CD2 3.48Å; Y612-Y616 AromaticContact CE2-CE2 3.98Å; Y612-Y616 HydrophobicContact CE2-CE2 3.98Å; Y612-Y616 HydrophobicContact CE2-CG 4.31Å; Y612-Y616 AromaticContact CG-CD2 4Å; Y612-Y616 HydrophobicContact CG-CD2 4Å; Y612-Y616 WeakPolarHBondContact O-CB 3.25Å; Y612-Y616 WeakPolarHBondContact O-CD2 3.27Å; Y612-Y616 PolarHBondContact O-N 3.45Å
617	K	88.7	Confident	92.4	Very high	125 Å²	125	43.7 Å²	43.7	54%	0.543	22%	0.22	S	C	.	.	S	Bend	trans	-129.1	7.3	-174.1	-60.7	-66	-177.3	-176.2	0	113.8	Y612 L613 P619	Y612-K617 HydrophobicContact CE1-CG 4.19Å; L613-K617 HydrophobicContact CD2-CB 3.85Å; L613-K617 HydrophobicContact CD2-CG 4.01Å; L613-K617 CarbonylContact O-C 3.4Å; L613-K617 VanDerWaalsContact O-C 3.23Å; L613-K617 VanDerWaalsContact O-CA 3.29Å; L613-K617 WeakPolarHBondContact O-CA 3.27Å; L613-K617 PolarHBondContact O-N 3.08Å; K617-P619 WeakPolarHBondContact O-CD 3.35Å
618	M	92.1	Very high	92.3	Very high	23 Å²	23	46.9 Å²	46.9	11%	0.113	25%	0.249	C	C	.	.			trans	-60.3	127.4	176.5	-171.7	67.8	79.7	0	0	109.8	L613 Y614 I622 K623 A636 L640 F690	L613-M618 PolarHBondContact O-N 3.11Å; Y614-M618 HydrophobicContact CD1-CE 4.17Å; Y614-M618 HydrophobicContact CD2-CE 3.19Å; Y614-M618 HydrophobicContact CE1-CE 4.28Å; Y614-M618 HydrophobicContact CE2-CE 3.38Å; Y614-M618 HydrophobicContact CG-CE 3.63Å; Y614-M618 WeakPolarHBondContact O-CB 3.44Å; M618-I622 HydrophobicContact CE-CG2 4.44Å; M618-I622 HydrophobicContact CG-CB 3.77Å; M618-I622 HydrophobicContact CG-CG2 3.85Å; M618-I622 HydrophobicContact SD-CB 4.38Å; M618-I622 HydrophobicContact SD-CG2 3.96Å; M618-K623 HydrophobicContact CB-CB 4.47Å; M618-K623 HydrophobicContact CG-CB 4.46Å; M618-A636 HydrophobicContact CE-CB 4.17Å; M618-L640 HydrophobicContact CE-CB 4.25Å; M618-L640 HydrophobicContact CE-CD2 4Å; M618-L640 HydrophobicContact SD-CB 4.32Å; M618-L640 HydrophobicContact SD-CD1 4.22Å; M618-F690 HydrophobicContact SD-CZ 4.48Å
619	P	85.9	Confident	92.2	Very high	43 Å²	43	47.6 Å²	47.6	28%	0.279	25%	0.253	S	S	.	.			trans	-64.6	146.2	-178.8	-26.2	37.3	0	0	0	113.8	K617 I622 V689 F690	K617-P619 WeakPolarHBondContact O-CD 3.35Å; P619-I622 WeakPolarHBondContact O-CG1 3.36Å; P619-V689 HydrophobicContact CB-CG1 4.07Å; P619-F690 HydrophobicContact CG-CD1 4.26Å; P619-F690 HydrophobicContact CG-CE1 3.65Å; P619-F690 HydrophobicContact CG-CZ 3.84Å
620	G	89.2	Confident	92.3	Very high	69 Å²	69	48.5 Å²	48.5	71%	0.711	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.2	-137.9	172.8	0	0	0	0	0	113.8
621	D	92.5	Very high	92.2	Very high	63 Å²	63	48.8 Å²	48.8	34%	0.337	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	12.8	-179.1	63.3	-24	0	0	0	113.2	K623 N624 W625 K685	D621-K623 PolarHBondContact O-N 3.42Å; D621-N624 WeakPolarHBondContact O-CB 3.35Å; D621-N624 PolarHBondContact O-N 3.47Å; D621-N624 VanDerWaalsContact O-N 3.08Å; D621-W625 PolarHBondContact O-N 2.86Å; D621-K685 VanDerWaalsContact CG-NZ 3.35Å; D621-K685 WeakPolarHBondContact OD1-CE 3.47Å; D621-K685 IonicContact OD1-NZ 3.97Å; D621-K685 PolarHBondContact OD1-NZ 3.26Å; D621-K685 WeakPolarHBondContact OD2-CE 3.2Å; D621-K685 IonicContact OD2-NZ 2.88Å; D621-K685 PolarHBondContact OD2-NZ 3.28Å
622	I	95	Very high	92.1	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-55.5	-47.5	-173.1	-67.9	178.3	0	0	0	112.2	M618 P619 N624 W625 V626 A636 F686 V689 F690	M618-I622 HydrophobicContact CE-CG2 4.44Å; M618-I622 HydrophobicContact CG-CB 3.77Å; M618-I622 HydrophobicContact CG-CG2 3.85Å; M618-I622 HydrophobicContact SD-CB 4.38Å; M618-I622 HydrophobicContact SD-CG2 3.96Å; P619-I622 WeakPolarHBondContact O-CG1 3.36Å; I622-N624 VanDerWaalsContact C-N 3.32Å; I622-N624 PolarHBondContact O-N 2.81Å; I622-W625 WeakPolarHBondContact O-CB 3.5Å; I622-W625 PolarHBondContact O-N 2.79Å; I622-V626 WeakPolarHBondContact O-CG2 3.48Å; I622-V626 PolarHBondContact O-N 2.7Å; I622-A636 HydrophobicContact CG2-CB 3.83Å; I622-F686 HydrophobicContact CB-CD1 4.29Å; I622-F686 HydrophobicContact CB-CE1 4.31Å; I622-F686 HydrophobicContact CD1-CB 4.23Å; I622-F686 HydrophobicContact CD1-CD1 4.08Å; I622-F686 HydrophobicContact CD1-CG 4.25Å; I622-F686 HydrophobicContact CG1-CD1 3.76Å; I622-F686 HydrophobicContact CG1-CE1 4.25Å; I622-F686 HydrophobicContact CG1-CG 4.42Å; I622-F686 HydrophobicContact CG2-CD1 3.86Å; I622-F686 HydrophobicContact CG2-CE1 3.69Å; I622-F686 HydrophobicContact CG2-CE2 4.46Å; I622-F686 HydrophobicContact CG2-CG 4.35Å; I622-F686 HydrophobicContact CG2-CZ 4.01Å; I622-V689 HydrophobicContact CD1-CB 4.01Å; I622-V689 HydrophobicContact CD1-CG1 3.81Å; I622-V689 HydrophobicContact CG1-CB 4.15Å; I622-V689 HydrophobicContact CG1-CG1 3.96Å; I622-V689 HydrophobicContact CG1-CG2 4.29Å; I622-F690 HydrophobicContact CD1-CD2 3.73Å; I622-F690 HydrophobicContact CD1-CE2 3.34Å; I622-F690 HydrophobicContact CD1-CZ 4.28Å
623	K	94.1	Very high	92.2	Very high	49 Å²	49	45.2 Å²	45.2	21%	0.213	25%	0.247	C	C	.	.	H	α-helix	trans	-62.2	-42.4	179.4	-174	-173.5	-178.1	-59.3	0	111.4	S526 Y614 M618 D621 W625 V626 D627	S526-K623 PolarHBondContact OG-NZ 3.07Å; Y614-K623 HydrophobicContact CE1-CG 4.35Å; M618-K623 HydrophobicContact CB-CB 4.47Å; M618-K623 HydrophobicContact CG-CB 4.46Å; D621-K623 PolarHBondContact O-N 3.42Å; K623-W625 VanDerWaalsContact C-N 3.31Å; K623-W625 PolarHBondContact O-N 3.11Å; K623-V626 PolarHBondContact O-N 3.49Å; K623-D627 IonicContact NZ-OD1 3.27Å; K623-D627 IonicContact NZ-OD2 2.66Å; K623-D627 PolarHBondContact NZ-OD2 2.93Å; K623-D627 WeakPolarHBondContact O-CB 3.48Å; K623-D627 VanDerWaalsContact O-CG 3.31Å; K623-D627 PolarHBondContact O-N 3.47Å
624	N	94	Very high	92.4	Very high	111 Å²	111	44.9 Å²	44.9	59%	0.594	25%	0.245	S	C	*	.	H	α-helix	trans	-66.1	-37.1	178.4	-64.1	-21.8	0	0	0	111.1	D621 I622 D627 A628	D621-N624 WeakPolarHBondContact O-CB 3.35Å; D621-N624 PolarHBondContact O-N 3.47Å; D621-N624 VanDerWaalsContact O-N 3.08Å; I622-N624 VanDerWaalsContact C-N 3.32Å; I622-N624 PolarHBondContact O-N 2.81Å; N624-D627 PolarHBondContact O-N 2.86Å; N624-A628 VanDerWaalsContact O-CB 3.27Å; N624-A628 WeakPolarHBondContact O-CB 3.24Å; N624-A628 PolarHBondContact O-N 2.73Å
625	W	94.4	Very high	92.5	Very high	63 Å²	63	44.9 Å²	44.9	24%	0.239	25%	0.245	C	C	.	.	H	α-helix	trans	-60.2	-50	173.6	-177.1	-79.7	0	0	0	111.4	D621 I622 K623 D627 A628 H629 K685 F686	D621-W625 PolarHBondContact O-N 2.86Å; I622-W625 WeakPolarHBondContact O-CB 3.5Å; I622-W625 PolarHBondContact O-N 2.79Å; K623-W625 VanDerWaalsContact C-N 3.31Å; K623-W625 PolarHBondContact O-N 3.11Å; W625-D627 VanDerWaalsContact C-N 3.34Å; W625-D627 PolarHBondContact O-N 2.88Å; W625-A628 PolarHBondContact O-N 3.37Å; W625-H629 AromaticContact CD1-ND1 3.74Å; W625-H629 AromaticContact CD2-CE1 3.47Å; W625-H629 VanDerWaalsContact CD2-CE1 3.47Å; W625-H629 AromaticContact CD2-ND1 3.7Å; W625-H629 AromaticContact CE2-CE1 3.37Å; W625-H629 AromaticContact CE2-ND1 3.62Å; W625-H629 AromaticContact CE2-NE2 3.86Å; W625-H629 AromaticContact CE3-CE1 3.72Å; W625-H629 AromaticContact CG-ND1 3.79Å; W625-H629 AromaticContact CH2-CE1 3.79Å; W625-H629 AromaticContact CH2-NE2 3.92Å; W625-H629 AromaticContact CZ2-CE1 3.55Å; W625-H629 AromaticContact CZ2-NE2 3.63Å; W625-H629 AromaticContact CZ3-CE1 3.87Å; W625-H629 AromaticContact NE1-CE1 3.86Å; W625-H629 AromaticContact NE1-CG 4Å; W625-H629 AromaticContact NE1-ND1 3.62Å; W625-H629 PolarHBondContact O-N 3.12Å; W625-H629 PolarHBondContact O-ND1 3.19Å; W625-K685 HydrophobicContact CD2-CG 4.18Å; W625-K685 HydrophobicContact CE3-CD 4.39Å; W625-K685 HydrophobicContact CE3-CG 4.31Å; W625-F686 AromaticContact CD1-CE1 3.97Å; W625-F686 HydrophobicContact CG-CE1 4.41Å
626	V	94.9	Very high	92.7	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-58	-46.5	176.3	168	0	0	0	0	111.2	I622 K623 A628 H629 M630 E633 A636 F686	I622-V626 WeakPolarHBondContact O-CG2 3.48Å; I622-V626 PolarHBondContact O-N 2.7Å; K623-V626 PolarHBondContact O-N 3.49Å; V626-A628 VanDerWaalsContact C-N 3.32Å; V626-A628 PolarHBondContact O-N 2.89Å; V626-H629 PolarHBondContact O-N 2.99Å; V626-M630 PolarHBondContact O-N 3.47Å; V626-E633 HydrophobicContact CG1-CB 3.53Å; V626-A636 HydrophobicContact CG2-CB 4Å; V626-F686 HydrophobicContact CG2-CZ 3.89Å
627	D	93.7	Very high	93	Very high	20 Å²	20	37.9 Å²	37.9	11%	0.107	22%	0.215	C	C	.	.	H	α-helix	trans	-66.2	-33.1	-179.5	-72	-19.7	0	0	0	112.8	K524 S526 K623 N624 W625	K524-D627 HydrophobicContact CD-CB 4.13Å; K524-D627 HydrophobicContact CG-CB 4.49Å; S526-D627 WeakPolarHBondContact CB-OD1 3.44Å; S526-D627 PolarHBondContact OG-OD1 3.34Å; K623-D627 IonicContact NZ-OD1 3.27Å; K623-D627 IonicContact NZ-OD2 2.66Å; K623-D627 PolarHBondContact NZ-OD2 2.93Å; K623-D627 WeakPolarHBondContact O-CB 3.48Å; K623-D627 VanDerWaalsContact O-CG 3.31Å; K623-D627 PolarHBondContact O-N 3.47Å; N624-D627 PolarHBondContact O-N 2.86Å; W625-D627 VanDerWaalsContact C-N 3.34Å; W625-D627 PolarHBondContact O-N 2.88Å
628	A	92.1	Very high	93.4	Very high	79 Å²	79	32.1 Å²	32.1	65%	0.653	19%	0.19	S	C	*	.	H	α-helix	trans	-78.3	-34.8	179.7	0	0	0	0	0	113.2	N624 W625 V626	N624-A628 VanDerWaalsContact O-CB 3.27Å; N624-A628 WeakPolarHBondContact O-CB 3.24Å; N624-A628 PolarHBondContact O-N 2.73Å; W625-A628 PolarHBondContact O-N 3.37Å; V626-A628 VanDerWaalsContact C-N 3.32Å; V626-A628 PolarHBondContact O-N 2.89Å
629	H	89.7	Confident	93.6	Very high	77 Å²	77	31 Å²	31	36%	0.356	18%	0.184	S	C	.	.	H	α-helix	trans	-94.1	-10.2	-177.4	-65	80.4	0	0	0	113.2	W625 V626 N631	W625-H629 AromaticContact CD1-ND1 3.74Å; W625-H629 AromaticContact CD2-CE1 3.47Å; W625-H629 VanDerWaalsContact CD2-CE1 3.47Å; W625-H629 AromaticContact CD2-ND1 3.7Å; W625-H629 AromaticContact CE2-CE1 3.37Å; W625-H629 AromaticContact CE2-ND1 3.62Å; W625-H629 AromaticContact CE2-NE2 3.86Å; W625-H629 AromaticContact CE3-CE1 3.72Å; W625-H629 AromaticContact CG-ND1 3.79Å; W625-H629 AromaticContact CH2-CE1 3.79Å; W625-H629 AromaticContact CH2-NE2 3.92Å; W625-H629 AromaticContact CZ2-CE1 3.55Å; W625-H629 AromaticContact CZ2-NE2 3.63Å; W625-H629 AromaticContact CZ3-CE1 3.87Å; W625-H629 AromaticContact NE1-CE1 3.86Å; W625-H629 AromaticContact NE1-CG 4Å; W625-H629 AromaticContact NE1-ND1 3.62Å; W625-H629 PolarHBondContact O-N 3.12Å; W625-H629 PolarHBondContact O-ND1 3.19Å; V626-H629 PolarHBondContact O-N 2.99Å; H629-N631 PolarHBondContact O-N 2.91Å
630	M	89.7	Confident	94	Very high	51 Å²	51	29.1 Å²	29.1	25%	0.251	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	52	40.7	-176.5	-67.6	-67.6	-72.3	0	0	112.4	L525 V626	L525-M630 WeakPolarHBondContact CD1-O 3.35Å; L525-M630 HydrophobicContact CD2-CE 4.21Å; L525-M630 HydrophobicContact CG-CE 4.05Å; L525-M630 HydrophobicContact CG-SD 4.36Å; V626-M630 PolarHBondContact O-N 3.47Å
631	N	90.9	Very high	94.1	Very high	6 Å²	6	26.1 Å²	26.1	3%	0.032	14%	0.14	C	C	.	.			trans	-155	167.9	-178.3	-156.3	-13	0	0	0	110.4	H629 E633 H675 E678 R679	H629-N631 PolarHBondContact O-N 2.91Å; N631-E633 VanDerWaalsContact C-N 3.29Å; N631-E633 PolarHBondContact O-N 2.63Å; N631-H675 PolarHBondContact ND2-CE1 3.39Å; N631-H675 PolarHBondContact ND2-ND1 3.29Å; N631-H675 PolarHBondContact OD1-CE1 3.05Å; N631-E678 PolarHBondContact ND2-OE2 2.67Å; N631-R679 PolarHBondContact OD1-NE 2.92Å
632	C	93.6	Very high	94	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.126	C	C	.	.			trans	65.1	17.4	170.3	-46.8	0	0	0	0	116.9	D634 I635 A636 C682 F686	C632-D634 PolarHBondContact O-N 2.98Å; C632-I635 HydrophobicContact CB-CB 4.35Å; C632-I635 HydrophobicContact CB-CD1 4.25Å; C632-I635 PolarHBondContact O-N 3.04Å; C632-A636 WeakPolarHBondContact O-CB 3.35Å; C632-A636 PolarHBondContact O-N 2.66Å; C632-C682 HydrophobicContact CB-CB 3.47Å; C632-C682 VanDerWaalsContact CB-CB 3.47Å; C632-C682 WeakPolarHBondContact CB-SG 3.38Å; C632-C682 WeakPolarHBondContact SG-CB 3.37Å; C632-C682 CovalentContact SG-SG 2.02Å; C632-C682 PolarHBondContact SG-SG 3.35Å; C632-F686 HydrophobicContact CB-CE2 4.1Å; C632-F686 HydrophobicContact CB-CZ 4.02Å
633	E	95.2	Very high	93.5	Very high	12 Å²	12	26.9 Å²	26.9	6%	0.056	15%	0.145	C	C	.	.	H	α-helix	trans	-63.2	-34.5	176.1	81.4	-63.4	158.6	0	0	111.7	L525 R528 F529 Y614 V626 N631 M637	L525-E633 HydrophobicContact CB-CB 4.22Å; L525-E633 HydrophobicContact CB-CG 4.06Å; L525-E633 WeakPolarHBondContact CD1-OE2 3.35Å; R528-E633 IonicContact CZ-OE1 2.73Å; R528-E633 IonicContact NH1-OE1 3.88Å; R528-E633 IonicContact NH2-OE1 2.82Å; R528-E633 PolarHBondContact NH2-OE1 2.89Å; F529-E633 HydrophobicContact CE2-CB 3.87Å; F529-E633 HydrophobicContact CE2-CG 3.72Å; F529-E633 HydrophobicContact CZ-CG 4.26Å; Y614-E633 WeakPolarHBondContact OH-CA 3.13Å; Y614-E633 PolarHBondContact OH-O 2.9Å; V626-E633 HydrophobicContact CG1-CB 3.53Å; N631-E633 VanDerWaalsContact C-N 3.29Å; N631-E633 PolarHBondContact O-N 2.63Å; E633-M637 PolarHBondContact O-N 2.77Å; E633-M637 VanDerWaalsContact O-N 3.11Å
634	D	95.5	Very high	92.9	Very high	4 Å²	4	26.9 Å²	26.9	2%	0.021	15%	0.146	C	C	.	.	H	α-helix	trans	-69.3	-44.7	174.9	53.2	4.2	0	0	0	112.7	L600 T601 C632 M637 N638 R679	L600-D634 HydrophobicContact CD2-CB 4.43Å; L600-D634 VanDerWaalsContact CD2-OD2 3.24Å; L600-D634 WeakPolarHBondContact CD2-OD2 3.44Å; T601-D634 VanDerWaalsContact OG1-CA 3.32Å; T601-D634 WeakPolarHBondContact OG1-CA 3.48Å; T601-D634 VanDerWaalsContact OG1-CB 3.23Å; T601-D634 WeakPolarHBondContact OG1-CB 3.48Å; C632-D634 PolarHBondContact O-N 2.98Å; D634-M637 PolarHBondContact O-N 3.24Å; D634-N638 PolarHBondContact O-N 3.48Å; D634-N638 PolarHBondContact O-ND2 3.36Å; D634-R679 IonicContact OD1-CZ 2.93Å; D634-R679 IonicContact OD1-NH1 2.66Å; D634-R679 IonicContact OD1-NH2 3.85Å; D634-R679 PolarHBondContact OD1-NH2 3.27Å; D634-R679 IonicContact OD2-CZ 3.34Å; D634-R679 VanDerWaalsContact OD2-CZ 3.26Å; D634-R679 IonicContact OD2-NH1 3.77Å; D634-R679 PolarHBondContact OD2-NH1 2.72Å; D634-R679 IonicContact OD2-NH2 3.28Å; D634-R679 PolarHBondContact OD2-NH2 3.37Å
635	I	96.8	Very high	92.2	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.005	12%	0.123	C	C	.	.	H	α-helix	trans	-61.9	-46.1	175	-60.5	174.9	0	0	0	109.3	Y588 M598 C632 M637 N638 F639 R679 C682 I683 F686	Y588-I635 HydrophobicContact CD2-CD1 3.94Å; Y588-I635 HydrophobicContact CE2-CD1 4.18Å; M598-I635 HydrophobicContact SD-CB 4.48Å; M598-I635 HydrophobicContact SD-CG1 4.12Å; M598-I635 HydrophobicContact SD-CG2 4.14Å; C632-I635 HydrophobicContact CB-CB 4.35Å; C632-I635 HydrophobicContact CB-CD1 4.25Å; C632-I635 PolarHBondContact O-N 3.04Å; I635-M637 VanDerWaalsContact C-N 3.29Å; I635-M637 PolarHBondContact O-N 3.48Å; I635-N638 PolarHBondContact O-N 2.88Å; I635-N638 VanDerWaalsContact O-N 3.14Å; I635-F639 HydrophobicContact CG2-CD2 3.79Å; I635-F639 HydrophobicContact CG2-CE2 3.75Å; I635-F639 WeakPolarHBondContact O-CD2 3.44Å; I635-F639 PolarHBondContact O-N 3.32Å; I635-R679 HydrophobicContact CD1-CB 3.84Å; I635-R679 HydrophobicContact CD1-CG 3.87Å; I635-C682 HydrophobicContact CD1-CB 4.44Å; I635-I683 HydrophobicContact CD1-CG1 4.29Å; I635-I683 HydrophobicContact CG2-CG1 3.91Å; I635-F686 HydrophobicContact CB-CE2 4.14Å; I635-F686 HydrophobicContact CG2-CD2 3.83Å; I635-F686 HydrophobicContact CG2-CE2 3.93Å
636	A	97.3	Very high	91.4	Very high	0 Å²	0	21 Å²	21	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-59.2	-40.2	177.5	0	0	0	0	0	111.9	Y614 M618 I622 V626 C632 F639 L640 F686	Y614-A636 HydrophobicContact CE2-CB 3.87Å; M618-A636 HydrophobicContact CE-CB 4.17Å; I622-A636 HydrophobicContact CG2-CB 3.83Å; V626-A636 HydrophobicContact CG2-CB 4Å; C632-A636 WeakPolarHBondContact O-CB 3.35Å; C632-A636 PolarHBondContact O-N 2.66Å; A636-F639 PolarHBondContact O-N 3.4Å; A636-L640 WeakPolarHBondContact O-CB 3.27Å; A636-L640 PolarHBondContact O-N 3.35Å; A636-F686 HydrophobicContact CB-CD2 4.35Å; A636-F686 HydrophobicContact CB-CE2 3.74Å; A636-F686 HydrophobicContact CB-CZ 4.14Å
637	M	97.3	Very high	90.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-65.6	-42.9	175.4	-171.9	62.6	83.6	0	0	111.8	F529 L569 T601 F610 Y614 E633 D634 I635 F639 L640 V641	F529-M637 HydrophobicContact CB-CE 4.07Å; F529-M637 HydrophobicContact CD1-CE 3.31Å; F529-M637 HydrophobicContact CD2-CE 4.01Å; F529-M637 HydrophobicContact CE1-CE 3.59Å; F529-M637 HydrophobicContact CE2-CE 4.23Å; F529-M637 HydrophobicContact CG-CE 3.54Å; F529-M637 HydrophobicContact CZ-CB 4.39Å; F529-M637 HydrophobicContact CZ-CE 4.03Å; L569-M637 HydrophobicContact CD1-CG 4.17Å; L569-M637 HydrophobicContact CD2-CG 4.39Å; T601-M637 HydrophobicContact CG2-CB 4.13Å; T601-M637 HydrophobicContact CG2-CG 3.98Å; F610-M637 HydrophobicContact CB-CE 4.49Å; F610-M637 HydrophobicContact CB-SD 3.91Å; Y614-M637 HydrophobicContact CD2-CB 4.25Å; Y614-M637 HydrophobicContact CD2-CE 3.48Å; Y614-M637 VanDerWaalsContact CD2-CE 3.48Å; Y614-M637 HydrophobicContact CD2-SD 3.84Å; Y614-M637 HydrophobicContact CE2-CB 4.14Å; Y614-M637 HydrophobicContact CE2-CE 4.25Å; Y614-M637 HydrophobicContact CG-CE 3.94Å; E633-M637 PolarHBondContact O-N 2.77Å; E633-M637 VanDerWaalsContact O-N 3.11Å; D634-M637 PolarHBondContact O-N 3.24Å; I635-M637 VanDerWaalsContact C-N 3.29Å; I635-M637 PolarHBondContact O-N 3.48Å; M637-F639 PolarHBondContact O-N 2.84Å; M637-L640 PolarHBondContact O-N 3.28Å; M637-L640 HydrophobicContact SD-CD2 4.22Å; M637-V641 HydrophobicContact CG-CG2 4.35Å; M637-V641 WeakPolarHBondContact O-CB 3.45Å; M637-V641 VanDerWaalsContact O-CG2 3.24Å; M637-V641 WeakPolarHBondContact O-CG2 3.08Å; M637-V641 PolarHBondContact O-N 3.02Å; M637-V641 HydrophobicContact SD-CG2 4.24Å
638	N	97.5	Very high	90.6	Very high	3 Å²	3	24.2 Å²	24.2	2%	0.016	14%	0.143	C	C	.	.	H	α-helix	trans	-62.3	-43.1	176.2	-79.9	-91.3	0	0	0	112	L569 M598 V599 D634 I635 V641 A642 L695	L569-N638 HydrophobicContact CD1-CB 4.36Å; M598-N638 VanDerWaalsContact CA-OD1 3.27Å; M598-N638 WeakPolarHBondContact CA-OD1 3.16Å; M598-N638 HydrophobicContact CB-CB 4.34Å; M598-N638 HydrophobicContact CG-CB 3.9Å; V599-N638 PolarHBondContact N-OD1 2.98Å; V599-N638 PolarHBondContact O-ND2 3.05Å; D634-N638 PolarHBondContact O-N 3.48Å; D634-N638 PolarHBondContact O-ND2 3.36Å; I635-N638 PolarHBondContact O-N 2.88Å; I635-N638 VanDerWaalsContact O-N 3.14Å; N638-V641 PolarHBondContact O-N 2.56Å; N638-A642 WeakPolarHBondContact O-CB 3.43Å; N638-A642 PolarHBondContact O-N 3.26Å; N638-L695 HydrophobicContact CB-CD2 3.93Å
639	F	96.1	Very high	90.6	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-59.4	-47.4	174.6	-93.8	-110.5	0	0	0	111.7	I635 A636 M637 N643 I683 F686 A687 F690 M693 P694 L695	I635-F639 HydrophobicContact CG2-CD2 3.79Å; I635-F639 HydrophobicContact CG2-CE2 3.75Å; I635-F639 WeakPolarHBondContact O-CD2 3.44Å; I635-F639 PolarHBondContact O-N 3.32Å; A636-F639 PolarHBondContact O-N 3.4Å; M637-F639 PolarHBondContact O-N 2.84Å; F639-N643 WeakPolarHBondContact O-CB 3.46Å; F639-N643 PolarHBondContact O-N 3.37Å; F639-I683 HydrophobicContact CE2-CG1 4.44Å; F639-I683 HydrophobicContact CE2-CG2 4.32Å; F639-I683 HydrophobicContact CZ-CG2 3.98Å; F639-F686 HydrophobicContact CD1-CB 3.7Å; F639-F686 HydrophobicContact CD2-CB 4.47Å; F639-F686 HydrophobicContact CD2-CD2 4.34Å; F639-F686 HydrophobicContact CE1-CB 3.69Å; F639-F686 HydrophobicContact CE2-CB 4.43Å; F639-F686 HydrophobicContact CG-CB 4.11Å; F639-F686 HydrophobicContact CG-CD2 4.47Å; F639-F686 HydrophobicContact CZ-CB 4.07Å; F639-A687 HydrophobicContact CE1-CB 4.12Å; F639-A687 HydrophobicContact CZ-CB 4.45Å; F639-F690 HydrophobicContact CB-CD2 4.4Å; F639-F690 HydrophobicContact CB-CE2 3.87Å; F639-F690 HydrophobicContact CB-CZ 4.38Å; F639-F690 AromaticContact CD1-CD2 3.78Å; F639-F690 HydrophobicContact CD1-CD2 3.78Å; F639-F690 HydrophobicContact CD1-CE2 4.11Å; F639-F690 HydrophobicContact CG-CE2 4.47Å; F639-M693 HydrophobicContact CE1-CE 4.48Å; F639-M693 HydrophobicContact CE1-SD 4.03Å; F639-M693 HydrophobicContact CE2-SD 4.44Å; F639-M693 HydrophobicContact CZ-CE 3.94Å; F639-M693 HydrophobicContact CZ-SD 3.63Å; F639-P694 HydrophobicContact CB-CG 4.24Å; F639-P694 HydrophobicContact CD1-CG 3.3Å; F639-P694 VanDerWaalsContact CE1-CD 3.48Å; F639-P694 HydrophobicContact CE1-CG 3.77Å; F639-P694 HydrophobicContact CG-CG 3.88Å; F639-L695 HydrophobicContact CD2-CD1 3.91Å; F639-L695 HydrophobicContact CD2-CD2 3.85Å; F639-L695 HydrophobicContact CD2-CG 3.83Å; F639-L695 HydrophobicContact CE2-CD1 3.39Å; F639-L695 HydrophobicContact CE2-CD2 4.18Å; F639-L695 HydrophobicContact CE2-CG 3.64Å; F639-L695 HydrophobicContact CG-CD2 4.47Å; F639-L695 HydrophobicContact CZ-CD1 4.1Å; F639-L695 HydrophobicContact CZ-CG 4.16Å
640	L	94.2	Very high	90.8	Very high	4 Å²	4	17.2 Å²	17.2	2%	0.021	10%	0.097	C	C	.	.	H	α-helix	trans	-59.3	-50.5	179.1	179.8	67	0	0	0	111.6	L613 Y614 M618 A636 M637 I644	L613-L640 HydrophobicContact CB-CD1 4.37Å; L613-L640 HydrophobicContact CB-CD2 3.9Å; L613-L640 HydrophobicContact CB-CG 4.49Å; Y614-L640 HydrophobicContact CD2-CD2 4.22Å; M618-L640 HydrophobicContact CE-CB 4.25Å; M618-L640 HydrophobicContact CE-CD2 4Å; M618-L640 HydrophobicContact SD-CB 4.32Å; M618-L640 HydrophobicContact SD-CD1 4.22Å; A636-L640 WeakPolarHBondContact O-CB 3.27Å; A636-L640 PolarHBondContact O-N 3.35Å; M637-L640 PolarHBondContact O-N 3.28Å; M637-L640 HydrophobicContact SD-CD2 4.22Å; L640-I644 HydrophobicContact CD1-CD1 3.73Å; L640-I644 HydrophobicContact CG-CD1 4.08Å; L640-I644 WeakPolarHBondContact O-CB 3.49Å; L640-I644 VanDerWaalsContact O-CG1 3.25Å; L640-I644 WeakPolarHBondContact O-CG1 3.39Å; L640-I644 PolarHBondContact O-N 3.33Å; L640-I644 VanDerWaalsContact O-N 3.14Å
641	V	92.5	Very high	91	Very high	5 Å²	5	16.1 Å²	16.1	3%	0.03	9%	0.091	C	C	.	.	H	α-helix	trans	-64.7	-47.8	-178.9	173.3	0	0	0	0	110.9	L569 F610 M637 N638 N643 I644 T645	L569-V641 HydrophobicContact CD1-CB 3.83Å; L569-V641 HydrophobicContact CD1-CG1 4.16Å; L569-V641 HydrophobicContact CD1-CG2 3.65Å; L569-V641 HydrophobicContact CG-CB 4.44Å; L569-V641 HydrophobicContact CG-CG1 4.34Å; L569-V641 HydrophobicContact CG-CG2 4.03Å; F610-V641 HydrophobicContact CD1-CG2 3.74Å; F610-V641 HydrophobicContact CD2-CG2 3.87Å; F610-V641 HydrophobicContact CE1-CB 4.19Å; F610-V641 HydrophobicContact CE1-CG1 4.31Å; F610-V641 HydrophobicContact CE1-CG2 3.68Å; F610-V641 HydrophobicContact CE2-CG1 4.1Å; F610-V641 HydrophobicContact CE2-CG2 3.79Å; F610-V641 HydrophobicContact CG-CG2 3.82Å; F610-V641 HydrophobicContact CZ-CB 4.08Å; F610-V641 HydrophobicContact CZ-CG1 3.71Å; F610-V641 HydrophobicContact CZ-CG2 3.67Å; M637-V641 HydrophobicContact CG-CG2 4.35Å; M637-V641 WeakPolarHBondContact O-CB 3.45Å; M637-V641 VanDerWaalsContact O-CG2 3.24Å; M637-V641 WeakPolarHBondContact O-CG2 3.08Å; M637-V641 PolarHBondContact O-N 3.02Å; M637-V641 HydrophobicContact SD-CG2 4.24Å; N638-V641 PolarHBondContact O-N 2.56Å; V641-N643 PolarHBondContact O-N 2.86Å; V641-I644 PolarHBondContact O-N 3Å; V641-T645 HydrophobicContact CG1-CG2 4.35Å; V641-T645 WeakPolarHBondContact O-CB 3.38Å; V641-T645 VanDerWaalsContact O-CG2 3.25Å; V641-T645 WeakPolarHBondContact O-CG2 3.4Å; V641-T645 PolarHBondContact O-N 3.11Å; V641-T645 PolarHBondContact O-OG1 3.42Å
642	A	88.6	Confident	91	Very high	6 Å²	6	15.9 Å²	15.9	5%	0.05	9%	0.09	C	C	.	.	H	α-helix	trans	-65.4	-39.1	-178.5	0	0	0	0	0	112.3	N638 G646 P694 L695	N638-A642 WeakPolarHBondContact O-CB 3.43Å; N638-A642 PolarHBondContact O-N 3.26Å; A642-G646 WeakPolarHBondContact O-CA 3.35Å; A642-G646 PolarHBondContact O-N 3.45Å; A642-P694 HydrophobicContact CB-CB 4.36Å; A642-P694 WeakPolarHBondContact CB-O 3.48Å; A642-L695 HydrophobicContact CB-CD2 4.31Å
643	N	85.6	Confident	90.4	Very high	74 Å²	74	15.9 Å²	15.9	40%	0.396	9%	0.09	S	C	.	.	H	α-helix	trans	-66.3	-40.5	177.9	-175.9	69.7	0	0	0	112.3	F639 V641 F690 P694	F639-N643 WeakPolarHBondContact O-CB 3.46Å; F639-N643 PolarHBondContact O-N 3.37Å; V641-N643 PolarHBondContact O-N 2.86Å; N643-F690 HydrophobicContact CB-CD1 3.97Å; N643-F690 HydrophobicContact CB-CE1 3.78Å; N643-P694 HydrophobicContact CB-CB 3.75Å; N643-P694 HydrophobicContact CB-CG 4.35Å
644	I	82.1	Confident	89.2	Confident	48 Å²	48	16.9 Å²	16.9	25%	0.246	10%	0.097	C	C	.	.	H	α-helix	trans	-73.2	-43.9	-179	-69.3	173.8	0	0	0	111	F451 L613 L640 V641	F451-I644 HydrophobicContact CE2-CG2 4.33Å; F451-I644 HydrophobicContact CZ-CG2 3.97Å; F451-I644 WeakPolarHBondContact CZ-O 3.3Å; L613-I644 HydrophobicContact CD1-CD1 3.34Å; L613-I644 HydrophobicContact CD2-CD1 4.44Å; L613-I644 HydrophobicContact CG-CD1 4.34Å; L640-I644 HydrophobicContact CD1-CD1 3.73Å; L640-I644 HydrophobicContact CG-CD1 4.08Å; L640-I644 WeakPolarHBondContact O-CB 3.49Å; L640-I644 VanDerWaalsContact O-CG1 3.25Å; L640-I644 WeakPolarHBondContact O-CG1 3.39Å; L640-I644 PolarHBondContact O-N 3.33Å; L640-I644 VanDerWaalsContact O-N 3.14Å; V641-I644 PolarHBondContact O-N 3Å
645	T	79.3	Confident	88.1	Confident	16 Å²	16	17.9 Å²	17.9	10%	0.098	10%	0.101	C	C	.	.	H	α-helix	trans	-91.8	-20.2	-170.2	64.2	0	0	0	0	112.9	D567 F610 V641 K647	D567-T645 HydrophobicContact CB-CG2 4.36Å; D567-T645 WeakPolarHBondContact O-CG2 3.4Å; F610-T645 HydrophobicContact CZ-CG2 4.11Å; V641-T645 HydrophobicContact CG1-CG2 4.35Å; V641-T645 WeakPolarHBondContact O-CB 3.38Å; V641-T645 VanDerWaalsContact O-CG2 3.25Å; V641-T645 WeakPolarHBondContact O-CG2 3.4Å; V641-T645 PolarHBondContact O-N 3.11Å; V641-T645 PolarHBondContact O-OG1 3.42Å; T645-K647 PolarHBondContact O-N 2.86Å; T645-K647 PolarHBondContact OG1-N 3.15Å; T645-K647 VanDerWaalsContact OG1-N 3.17Å
646	G	77.5	Confident	86.4	Confident	36 Å²	36	24.2 Å²	24.2	37%	0.371	13%	0.128	S	C	.	.			trans	64.1	17.6	-169.5	0	0	0	0	0	113.3	A642 K696	A642-G646 WeakPolarHBondContact O-CA 3.35Å; A642-G646 PolarHBondContact O-N 3.45Å; G646-K696 VanDerWaalsContact O-CE 3.28Å; G646-K696 WeakPolarHBondContact O-CE 3.34Å; G646-K696 PolarHBondContact O-NZ 3.4Å
647	K	82.4	Confident	84.8	Confident	81 Å²	81	30.1 Å²	30.1	35%	0.352	15%	0.154	S	C	.	.			trans	-121.4	150.7	-173.1	-70.6	166.3	179.5	-176.5	0	111.5	D567 R568 T645	D567-K647 IonicContact OD1-NZ 3.58Å; D567-K647 WeakPolarHBondContact OD2-CD 3.38Å; D567-K647 WeakPolarHBondContact OD2-CE 3.36Å; D567-K647 IonicContact OD2-NZ 3.26Å; D567-K647 PolarHBondContact OD2-NZ 3.3Å; R568-K647 HydrophobicContact CG-CB 4.19Å; R568-K647 HydrophobicContact CG-CD 4.42Å; T645-K647 PolarHBondContact O-N 2.86Å; T645-K647 PolarHBondContact OG1-N 3.15Å; T645-K647 VanDerWaalsContact OG1-N 3.17Å
648	A	88.4	Confident	83.3	Confident	5 Å²	5	32 Å²	32	4%	0.041	16%	0.163	C	C	.	.			trans	-79.6	154.4	173.2	0	0	0	0	0	111.4	R568 K696 V698	R568-A648 WeakPolarHBondContact CD-O 3.3Å; R568-A648 PolarHBondContact NH1-O 3.29Å; A648-K696 HydrophobicContact CB-CB 4.02Å; A648-V698 HydrophobicContact CB-CB 4.15Å; A648-V698 HydrophobicContact CB-CG1 3.36Å; A648-V698 HydrophobicContact CB-CG2 3.65Å
649	P	93.4	Very high	81.4	Confident	8 Å²	8	38.8 Å²	38.8	5%	0.052	19%	0.192	C	C	.	.			trans	-65.2	166.7	173.4	30.9	-37.1	0	0	0	111.9	L569 S597 V599	L569-P649 HydrophobicContact CB-CB 4.01Å; L569-P649 CarbonylContact O-C 3.56Å; L569-P649 WeakPolarHBondContact O-CA 3.41Å; L569-P649 WeakPolarHBondContact O-CB 3.42Å; S597-P649 WeakPolarHBondContact O-CD 3.32Å; V599-P649 HydrophobicContact CB-CB 4.18Å; V599-P649 HydrophobicContact CG2-CB 3.8Å; V599-P649 HydrophobicContact CG2-CG 4.19Å
650	I	93.8	Very high	79.6	Confident	1 Å²	1	40.1 Å²	40.1	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	121.7	176.1	-63.3	174.3	0	0	0	109.2	V561 F565 L569 V570 G571 V652 A702	V561-I650 HydrophobicContact CG1-CG2 3.91Å; F565-I650 HydrophobicContact CB-CD1 3.52Å; F565-I650 HydrophobicContact CD1-CD1 3.8Å; F565-I650 HydrophobicContact CD2-CD1 3.3Å; F565-I650 HydrophobicContact CE1-CD1 4.34Å; F565-I650 HydrophobicContact CE2-CD1 3.93Å; F565-I650 HydrophobicContact CG-CD1 3.23Å; F565-I650 HydrophobicContact CZ-CD1 4.4Å; L569-I650 PolarHBondContact O-N 2.85Å; V570-I650 WeakPolarHBondContact CA-O 3.34Å; V570-I650 HydrophobicContact CG2-CB 4.21Å; G571-I650 PolarHBondContact N-O 3.31Å; I650-V652 HydrophobicContact CG2-CG1 4.49Å; I650-A702 HydrophobicContact CG2-CB 4.07Å
651	K	92.4	Very high	77.8	Confident	29 Å²	29	44.9 Å²	44.9	13%	0.126	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	132.8	169.5	-179.2	173.4	174.1	-178.6	0	109.8	G571 V596 R701 A702	G571-K651 CarbonylContact O-C 3.54Å; G571-K651 WeakPolarHBondContact O-CA 3.43Å; V596-K651 HydrophobicContact CG2-CB 4.37Å; V596-K651 HydrophobicContact CG2-CD 3.76Å; K651-R701 HydrophobicContact CG-CG 4.44Å; K651-R701 CarbonylContact O-C 3.52Å; K651-R701 VanDerWaalsContact O-CA 3.3Å; K651-R701 WeakPolarHBondContact O-CA 3.42Å; K651-A702 PolarHBondContact O-N 2.72Å
652	V	90.9	Very high	75.9	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	140.8	173.9	-68.8	0	0	0	0	110.6	F557 V561 V570 G571 Y572 I650 A702	F557-V652 HydrophobicContact CE1-CB 4.32Å; F557-V652 HydrophobicContact CE1-CG1 4.33Å; V561-V652 HydrophobicContact CB-CG1 3.98Å; V561-V652 HydrophobicContact CG1-CG1 3.89Å; V561-V652 HydrophobicContact CG2-CG1 3.99Å; V570-V652 HydrophobicContact CG1-CG1 3.54Å; G571-V652 WeakPolarHBondContact O-CG2 3.2Å; G571-V652 PolarHBondContact O-N 2.68Å; Y572-V652 HydrophobicContact CD1-CG2 3.56Å; Y572-V652 HydrophobicContact CD2-CG2 4.45Å; Y572-V652 HydrophobicContact CE1-CG2 3.52Å; Y572-V652 HydrophobicContact CE2-CG2 4.41Å; Y572-V652 HydrophobicContact CG-CG2 4.02Å; I650-V652 HydrophobicContact CG2-CG1 4.49Å; V652-A702 HydrophobicContact CG1-CB 4.22Å
653	T	82.6	Confident	74.4	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.265	C	S	.	.	S	Bend	trans	62.5	161.4	174.4	81.3	0	0	0	0	114.2	E554 F557 Y572 R655 R701 A702 I721	E554-T653 HydrophobicContact CG-CG2 4.4Å; F557-T653 HydrophobicContact CD1-CG2 4.11Å; F557-T653 HydrophobicContact CE1-CG2 4.48Å; Y572-T653 HydrophobicContact CD1-CG2 4.41Å; Y572-T653 HydrophobicContact CE1-CG2 4.31Å; T653-R655 PolarHBondContact O-N 2.79Å; T653-R701 WeakPolarHBondContact O-CD 3.47Å; T653-A702 PolarHBondContact N-O 3.38Å; T653-A702 VanDerWaalsContact N-O 3.14Å; T653-I721 HydrophobicContact CG2-CG2 4.24Å
654	P	70	Confident	72.6	Confident	33 Å²	33	52.9 Å²	52.9	21%	0.214	28%	0.277	C	S	.	.	S	Bend	trans	-76.2	-0.7	179.6	37.5	-45.1	0	0	0	113.6	K656 Y707	P654-K656 WeakPolarHBondContact O-CG 3.31Å; P654-K656 PolarHBondContact O-N 3.46Å; P654-K656 VanDerWaalsContact O-N 3.17Å; P654-Y707 WeakPolarHBondContact CD-OH 3.45Å; P654-Y707 WeakPolarHBondContact CG-OH 3.29Å
655	R	71.1	Confident	70.9	Confident	26 Å²	26	54.8 Å²	54.8	10%	0.098	30%	0.3	C	S	.	.			trans	-61.8	119.9	-165.3	-155.5	139.9	-168.6	143.7	1.5	110.7	M549 E554 T653 F658 S723	M549-R655 PolarHBondContact O-NE 3.32Å; M549-R655 PolarHBondContact O-NH1 2.83Å; M549-R655 PolarHBondContact O-NH2 2.99Å; E554-R655 WeakPolarHBondContact OE1-CD 3.42Å; E554-R655 IonicContact OE1-CZ 3.52Å; E554-R655 IonicContact OE1-NH1 2.66Å; E554-R655 PolarHBondContact OE1-NH1 2.92Å; E554-R655 IonicContact OE2-CZ 2.74Å; E554-R655 IonicContact OE2-NE 2.76Å; E554-R655 IonicContact OE2-NH1 2.76Å; E554-R655 PolarHBondContact OE2-NH1 3.06Å; E554-R655 VanDerWaalsContact OE2-NH1 3.08Å; T653-R655 PolarHBondContact O-N 2.79Å; R655-F658 HydrophobicContact CG-CD1 4.46Å; R655-F658 HydrophobicContact CG-CE1 3.85Å; R655-F658 HydrophobicContact CG-CZ 4.5Å; R655-S723 PolarHBondContact NH1-O 2.72Å
656	K	62.4	Low	69.3	Low	133 Å²	133	60.3 Å²	60.3	58%	0.578	33%	0.328	S	S	*	.			trans	-95.3	-43.2	-170	-54.6	-171.4	-178.7	-179.5	0	111.8	W592 P654	W592-K656 HydrophobicContact CD2-CB 4.36Å; W592-K656 HydrophobicContact CE3-CB 4.03Å; W592-K656 HydrophobicContact CH2-CB 4.35Å; W592-K656 WeakPolarHBondContact CH2-O 3.47Å; W592-K656 HydrophobicContact CZ3-CB 4.01Å; W592-K656 WeakPolarHBondContact CZ3-O 3.43Å; P654-K656 WeakPolarHBondContact O-CG 3.31Å; P654-K656 PolarHBondContact O-N 3.46Å; P654-K656 VanDerWaalsContact O-N 3.17Å
657	K	63.3	Low	68	Low	124 Å²	124	64.7 Å²	64.7	54%	0.539	34%	0.343	S	S	.	.			trans	-134.2	150.1	-179.6	-69.6	-173	176.8	-174.5	0	111.3	W592	W592-K657 HydrophobicContact CH2-CG 3.89Å; W592-K657 HydrophobicContact CZ2-CD 4.25Å; W592-K657 VanDerWaalsContact CZ2-CE 3.48Å; W592-K657 HydrophobicContact CZ2-CG 3.72Å
658	F	65.7	Low	66.9	Low	41 Å²	41	61.8 Å²	61.8	18%	0.18	34%	0.336	C	S	.	.			trans	-106.2	108.6	160.3	-56.4	-59.2	0	0	0	106.3	I547 M549 L550 Y572 P573 A603 R655	I547-F658 HydrophobicContact CD1-CB 3.55Å; I547-F658 HydrophobicContact CD1-CD2 3.75Å; I547-F658 HydrophobicContact CD1-CG 3.89Å; I547-F658 HydrophobicContact CG2-CB 4.18Å; I547-F658 HydrophobicContact CG2-CD1 3.9Å; I547-F658 HydrophobicContact CG2-CD2 3.86Å; I547-F658 HydrophobicContact CG2-CE1 4.21Å; I547-F658 HydrophobicContact CG2-CE2 4.12Å; I547-F658 HydrophobicContact CG2-CG 3.71Å; I547-F658 HydrophobicContact CG2-CZ 4.31Å; M549-F658 HydrophobicContact CB-CD1 4.05Å; L550-F658 HydrophobicContact CD1-CE1 4.06Å; L550-F658 HydrophobicContact CD1-CE2 4.49Å; L550-F658 HydrophobicContact CD1-CZ 3.8Å; L550-F658 HydrophobicContact CD2-CE1 3.43Å; L550-F658 VanDerWaalsContact CD2-CE1 3.43Å; L550-F658 HydrophobicContact CD2-CZ 3.57Å; L550-F658 HydrophobicContact CG-CD1 4.28Å; L550-F658 HydrophobicContact CG-CE1 3.42Å; L550-F658 VanDerWaalsContact CG-CE1 3.42Å; L550-F658 HydrophobicContact CG-CZ 3.66Å; Y572-F658 HydrophobicContact CD2-CZ 4.34Å; Y572-F658 AromaticContact CG-CZ 3.99Å; Y572-F658 HydrophobicContact CG-CZ 3.99Å; P573-F658 HydrophobicContact CG-CD2 3.94Å; P573-F658 HydrophobicContact CG-CE2 3.45Å; P573-F658 VanDerWaalsContact CG-CE2 3.45Å; P573-F658 HydrophobicContact CG-CZ 4.5Å; A603-F658 HydrophobicContact CB-CE2 3.76Å; A603-F658 HydrophobicContact CB-CZ 4.27Å; R655-F658 HydrophobicContact CG-CD1 4.46Å; R655-F658 HydrophobicContact CG-CE1 3.85Å; R655-F658 HydrophobicContact CG-CZ 4.5Å
659	K	57.8	Low	65.5	Low	144 Å²	144	66.8 Å²	66.8	63%	0.626	36%	0.361	S	S	*	.			trans	-96.7	127.9	171.3	-71.7	-173.3	176.6	-175.7	0	107.1	M549 P661	M549-K659 WeakPolarHBondContact CG-O 3.41Å; M549-K659 HydrophobicContact SD-CB 4.02Å; M549-K659 PolarHBondContact SD-N 3.36Å; K659-P661 WeakPolarHBondContact O-CD 3.42Å
660	C	58.4	Low	63.8	Low	28 Å²	28	70.1 Å²	70.1	19%	0.189	39%	0.385	C	S	.	.			trans	-88.9	104.5	165.9	178	0	0	0	0	108.1	D546 E662 C663	D546-C660 HydrophobicContact CB-CB 4.23Å; C660-E662 PolarHBondContact O-N 3.18Å; C660-C663 HydrophobicContact CB-CB 3.6Å; C660-C663 WeakPolarHBondContact CB-SG 3.48Å; C660-C663 WeakPolarHBondContact SG-CB 3.19Å; C660-C663 PolarHBondContact SG-N 3.14Å; C660-C663 CovalentContact SG-SG 2.04Å; C660-C663 PolarHBondContact SG-SG 2.92Å
661	P	54.8	Low	62.1	Low	105 Å²	105	75.5 Å²	75.5	68%	0.682	41%	0.413	S	S	*	.	S	Bend	trans	-63.9	-20.4	-179.2	20.7	-32.3	0	0	0	114.5	I548 K659	I548-P661 HydrophobicContact CD1-CG 4.1Å; K659-P661 WeakPolarHBondContact O-CD 3.42Å
662	E	54.6	Low	60.5	Low	102 Å²	102	78.5 Å²	78.5	48%	0.477	43%	0.431	S	S	.	.	S	Bend	trans	-109.9	-7.1	-174.8	-65.9	176.2	-175.8	0	0	113.9	R477 C660 T664	R477-E662 IonicContact CZ-OE1 3.1Å; R477-E662 IonicContact CZ-OE2 2.8Å; R477-E662 IonicContact NE-OE2 3.48Å; R477-E662 PolarHBondContact NE-OE2 3.05Å; R477-E662 IonicContact NH1-OE1 2.69Å; R477-E662 PolarHBondContact NH1-OE1 2.8Å; R477-E662 IonicContact NH1-OE2 2.93Å; R477-E662 PolarHBondContact NH1-OE2 3.42Å; R477-E662 IonicContact NH2-OE1 2.79Å; R477-E662 PolarHBondContact NH2-OE1 2.95Å; R477-E662 IonicContact NH2-OE2 2.77Å; R477-E662 PolarHBondContact NH2-OE2 2.83Å; C660-E662 PolarHBondContact O-N 3.18Å; E662-T664 PolarHBondContact O-N 3.31Å; E662-T664 VanDerWaalsContact O-N 3.11Å
663	C	56.2	Low	59.1	Low	44 Å²	44	87.4 Å²	87.4	30%	0.297	47%	0.472	S	S	.	.	S	Bend	trans	-73.1	108.1	174.1	-62.8	0	0	0	0	107.5	C660 A665	C660-C663 HydrophobicContact CB-CB 3.6Å; C660-C663 WeakPolarHBondContact CB-SG 3.48Å; C660-C663 WeakPolarHBondContact SG-CB 3.19Å; C660-C663 PolarHBondContact SG-N 3.14Å; C660-C663 CovalentContact SG-SG 2.04Å; C660-C663 PolarHBondContact SG-SG 2.92Å; C663-A665 PolarHBondContact O-N 2.71Å
664	T	47.5	Very low	58.5	Low	106 Å²	106	90.5 Å²	90.5	65%	0.65	49%	0.491	S	S	*	.			trans	-49.8	129.8	172	39.8	0	0	0	0	109	E662 I666	E662-T664 PolarHBondContact O-N 3.31Å; E662-T664 VanDerWaalsContact O-N 3.11Å; T664-I666 PolarHBondContact O-N 3.17Å
665	A	45.8	Very low	58.8	Low	88 Å²	88	89.7 Å²	89.7	73%	0.727	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	25.3	-171.9	0	0	0	0	0	115.5	C663	C663-A665 PolarHBondContact O-N 2.71Å
666	I	46.1	Very low	59.3	Low	132 Å²	132	92 Å²	92	68%	0.677	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.2	-25.8	-165.2	-50	178.3	0	0	0	111.9	T664	T664-I666 PolarHBondContact O-N 3.17Å
667	D	51.3	Low	60.4	Low	128 Å²	128	89.9 Å²	89.9	68%	0.684	50%	0.495	S	S	*	.			trans	-137	41.5	-168.6	-68.7	-45.7	0	0	0	115.5	R471	R471-D667 PolarHBondContact NH2-O 3.15Å
668	G	59.4	Low	61.6	Low	21 Å²	21	86.8 Å²	86.8	22%	0.216	48%	0.483	C	S	.	.			trans	-96.2	123.6	173	0	0	0	0	0	111.8	S670 L671	G668-S670 PolarHBondContact O-N 2.89Å; G668-L671 WeakPolarHBondContact O-CB 3.47Å; G668-L671 PolarHBondContact O-N 2.77Å
669	L	59	Low	62.9	Low	109 Å²	109	85.7 Å²	85.7	57%	0.571	48%	0.478	S	S	*	.	G	3₁₀ helix	trans	-54.7	-27.8	177.2	-71.5	170.1	0	0	0	113.5	L671 H675	L669-L671 VanDerWaalsContact C-N 3.33Å; L669-H675 PolarHBondContact O-ND1 3.17Å
670	S	57.4	Low	64.5	Low	78 Å²	78	79.9 Å²	79.9	55%	0.545	46%	0.455	S	S	.	.	G	3₁₀ helix	trans	-82.1	-5.7	178.9	59.1	0	0	0	0	114.9	G668	G668-S670 PolarHBondContact O-N 2.89Å
671	L	57.1	Low	66.2	Low	114 Å²	114	83.7 Å²	83.7	60%	0.597	47%	0.47	S	S	*	.	G	3₁₀ helix	trans	-87	-11.9	176.5	-64.1	169.8	0	0	0	112.5	G668 L669	G668-L671 WeakPolarHBondContact O-CB 3.47Å; G668-L671 PolarHBondContact O-N 2.77Å; L669-L671 VanDerWaalsContact C-N 3.33Å
672	D	59.8	Low	68.1	Low	93 Å²	93	78.8 Å²	78.8	50%	0.497	44%	0.438	S	S	.	.	S	Bend	trans	-71.2	132	173.8	-165.1	-8.8	0	0	0	110.7	T674 H675	D672-T674 PolarHBondContact O-N 2.68Å; D672-T674 PolarHBondContact OD1-N 2.84Å; D672-T674 PolarHBondContact OD1-OG1 3.19Å; D672-T674 PolarHBondContact OD2-OG1 2.93Å; D672-T674 VanDerWaalsContact OD2-OG1 3.09Å; D672-H675 HydrophobicContact CB-CB 4.33Å; D672-H675 WeakPolarHBondContact O-CB 3.35Å; D672-H675 PolarHBondContact O-N 3.4Å; D672-H675 VanDerWaalsContact O-N 3.17Å
673	Q	60.8	Low	70.1	Confident	187 Å²	187	73.9 Å²	73.9	87%	0.874	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-25.5	-178.7	-70.3	-179.1	-1.8	0	0	112.2	H675	Q673-H675 VanDerWaalsContact C-N 3.32Å
674	T	71	Confident	71.9	Confident	64 Å²	64	73.9 Å²	73.9	39%	0.393	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-18.8	176.3	57.6	0	0	0	0	112.8	D672 M676 V677 E678	D672-T674 PolarHBondContact O-N 2.68Å; D672-T674 PolarHBondContact OD1-N 2.84Å; D672-T674 PolarHBondContact OD1-OG1 3.19Å; D672-T674 PolarHBondContact OD2-OG1 2.93Å; D672-T674 VanDerWaalsContact OD2-OG1 3.09Å; T674-M676 VanDerWaalsContact C-N 3.3Å; T674-M676 PolarHBondContact O-N 3.32Å; T674-V677 WeakPolarHBondContact O-CB 3.41Å; T674-V677 PolarHBondContact O-N 2.83Å; T674-E678 PolarHBondContact O-N 3.25Å
675	H	76.1	Confident	74.1	Confident	16 Å²	16	71.7 Å²	71.7	7%	0.074	39%	0.394	C	S	.	.	H	α-helix	trans	-56.8	-39.5	-171.9	-174.3	76.5	0	0	0	113.6	N631 L669 D672 Q673 R679	N631-H675 PolarHBondContact ND2-CE1 3.39Å; N631-H675 PolarHBondContact ND2-ND1 3.29Å; N631-H675 PolarHBondContact OD1-CE1 3.05Å; L669-H675 PolarHBondContact O-ND1 3.17Å; D672-H675 HydrophobicContact CB-CB 4.33Å; D672-H675 WeakPolarHBondContact O-CB 3.35Å; D672-H675 PolarHBondContact O-N 3.4Å; D672-H675 VanDerWaalsContact O-N 3.17Å; Q673-H675 VanDerWaalsContact C-N 3.32Å; H675-R679 PolarHBondContact NE2-NE 3.41Å; H675-R679 WeakPolarHBondContact O-CG 3.38Å; H675-R679 PolarHBondContact O-N 3.03Å
676	M	80.8	Confident	76.5	Confident	75 Å²	75	67.5 Å²	67.5	37%	0.369	36%	0.359	S	S	.	.	H	α-helix	trans	-75.2	-30.4	179.8	-62.2	-61.4	173.6	0	0	112.6	Y588 T674 S680	Y588-M676 HydrophobicContact CD1-SD 4.01Å; Y588-M676 HydrophobicContact CE1-SD 3.72Å; T674-M676 VanDerWaalsContact C-N 3.3Å; T674-M676 PolarHBondContact O-N 3.32Å; M676-S680 PolarHBondContact O-N 3.42Å; M676-S680 PolarHBondContact O-OG 2.78Å; M676-S680 VanDerWaalsContact O-OG 3.12Å
677	V	85.4	Confident	78.5	Confident	88 Å²	88	61.7 Å²	61.7	53%	0.533	33%	0.331	S	S	.	.	H	α-helix	trans	-70	-49.2	176.3	-179.2	0	0	0	0	109.3	T674 R679 S680 E681	T674-V677 WeakPolarHBondContact O-CB 3.41Å; T674-V677 PolarHBondContact O-N 2.83Å; V677-R679 VanDerWaalsContact C-N 3.29Å; V677-R679 PolarHBondContact O-N 2.67Å; V677-S680 WeakPolarHBondContact O-CA 3.21Å; V677-S680 WeakPolarHBondContact O-CB 3.41Å; V677-S680 PolarHBondContact O-N 2.61Å; V677-E681 PolarHBondContact O-N 2.92Å
678	E	87.8	Confident	80.3	Confident	59 Å²	59	60 Å²	60	28%	0.276	33%	0.329	S	S	.	.	H	α-helix	trans	-56.6	-41.9	176	-70.7	177.3	-179.2	0	0	112.1	N631 T674 S680 E681 C682	N631-E678 PolarHBondContact ND2-OE2 2.67Å; T674-E678 PolarHBondContact O-N 3.25Å; E678-S680 VanDerWaalsContact C-N 3.31Å; E678-S680 PolarHBondContact O-N 2.69Å; E678-E681 WeakPolarHBondContact O-CB 3.42Å; E678-E681 PolarHBondContact O-N 3Å; E678-E681 VanDerWaalsContact O-N 3.13Å; E678-C682 PolarHBondContact O-N 2.91Å; E678-C682 PolarHBondContact O-SG 3.33Å
679	R	92.9	Very high	81.7	Confident	19 Å²	19	61.1 Å²	61.1	7%	0.072	33%	0.332	C	S	.	.	H	α-helix	trans	-62.6	-36.8	175.9	-78	-173	171.6	-136.6	-8.3	113	Y588 N631 D634 I635 H675 V677 C682 I683	Y588-R679 HydrophobicContact CD1-CB 4.07Å; Y588-R679 HydrophobicContact CD2-CB 4.11Å; Y588-R679 HydrophobicContact CG-CB 3.81Å; Y588-R679 PolarHBondContact OH-NH1 3.36Å; N631-R679 PolarHBondContact OD1-NE 2.92Å; D634-R679 IonicContact OD1-CZ 2.93Å; D634-R679 IonicContact OD1-NH1 2.66Å; D634-R679 IonicContact OD1-NH2 3.85Å; D634-R679 PolarHBondContact OD1-NH2 3.27Å; D634-R679 IonicContact OD2-CZ 3.34Å; D634-R679 VanDerWaalsContact OD2-CZ 3.26Å; D634-R679 IonicContact OD2-NH1 3.77Å; D634-R679 PolarHBondContact OD2-NH1 2.72Å; D634-R679 IonicContact OD2-NH2 3.28Å; D634-R679 PolarHBondContact OD2-NH2 3.37Å; I635-R679 HydrophobicContact CD1-CB 3.84Å; I635-R679 HydrophobicContact CD1-CG 3.87Å; H675-R679 PolarHBondContact NE2-NE 3.41Å; H675-R679 WeakPolarHBondContact O-CG 3.38Å; H675-R679 PolarHBondContact O-N 3.03Å; V677-R679 VanDerWaalsContact C-N 3.29Å; V677-R679 PolarHBondContact O-N 2.67Å; R679-C682 WeakPolarHBondContact O-CB 3.23Å; R679-C682 PolarHBondContact O-N 2.57Å; R679-I683 WeakPolarHBondContact O-CG1 3.28Å; R679-I683 PolarHBondContact O-N 2.84Å
680	S	92.7	Very high	82.7	Confident	22 Å²	22	57.2 Å²	57.2	15%	0.154	31%	0.31	C	S	.	.	H	α-helix	trans	-66.5	-39.7	173.2	-59.4	0	0	0	0	111.2	Y588 M676 V677 E678 I683 N684	Y588-S680 PolarHBondContact N-OG 2.86Å; M676-S680 PolarHBondContact O-N 3.42Å; M676-S680 PolarHBondContact O-OG 2.78Å; M676-S680 VanDerWaalsContact O-OG 3.12Å; V677-S680 WeakPolarHBondContact O-CA 3.21Å; V677-S680 WeakPolarHBondContact O-CB 3.41Å; V677-S680 PolarHBondContact O-N 2.61Å; E678-S680 VanDerWaalsContact C-N 3.31Å; E678-S680 PolarHBondContact O-N 2.69Å; S680-I683 PolarHBondContact O-N 3.44Å; S680-N684 PolarHBondContact O-N 2.8Å; S680-N684 PolarHBondContact O-ND2 3.1Å
681	E	93.4	Very high	83.7	Confident	107 Å²	107	56.5 Å²	56.5	50%	0.5	32%	0.315	S	S	.	.	H	α-helix	trans	-63	-41.5	174.4	-67.1	-176.4	168.6	0	0	112.2	V677 E678 I683 N684 K685	V677-E681 PolarHBondContact O-N 2.92Å; E678-E681 WeakPolarHBondContact O-CB 3.42Å; E678-E681 PolarHBondContact O-N 3Å; E678-E681 VanDerWaalsContact O-N 3.13Å; E681-I683 PolarHBondContact O-N 3.42Å; E681-N684 PolarHBondContact O-N 3.27Å; E681-K685 WeakPolarHBondContact O-CB 3.3Å; E681-K685 PolarHBondContact O-N 2.76Å
682	C	95.5	Very high	84.8	Confident	2 Å²	2	55.2 Å²	55.2	1%	0.014	31%	0.312	C	S	.	.	H	α-helix	trans	-57.3	-46.3	174.6	-68.3	0	0	0	0	112.2	C632 I635 E678 R679 N684 K685 F686	C632-C682 HydrophobicContact CB-CB 3.47Å; C632-C682 VanDerWaalsContact CB-CB 3.47Å; C632-C682 WeakPolarHBondContact CB-SG 3.38Å; C632-C682 WeakPolarHBondContact SG-CB 3.37Å; C632-C682 CovalentContact SG-SG 2.02Å; C632-C682 PolarHBondContact SG-SG 3.35Å; I635-C682 HydrophobicContact CD1-CB 4.44Å; E678-C682 PolarHBondContact O-N 2.91Å; E678-C682 PolarHBondContact O-SG 3.33Å; R679-C682 WeakPolarHBondContact O-CB 3.23Å; R679-C682 PolarHBondContact O-N 2.57Å; C682-N684 VanDerWaalsContact C-N 3.32Å; C682-N684 PolarHBondContact O-N 2.78Å; C682-K685 PolarHBondContact O-N 3Å; C682-F686 HydrophobicContact CB-CD2 4.49Å; C682-F686 HydrophobicContact CB-CE1 4.43Å; C682-F686 HydrophobicContact CB-CE2 3.92Å; C682-F686 HydrophobicContact CB-CZ 3.89Å; C682-F686 WeakPolarHBondContact O-CB 3.22Å; C682-F686 VanDerWaalsContact O-CD1 3.32Å; C682-F686 WeakPolarHBondContact O-CD1 3.11Å; C682-F686 WeakPolarHBondContact O-CD2 3Å; C682-F686 WeakPolarHBondContact O-CG 3.5Å; C682-F686 PolarHBondContact O-N 3.24Å
683	I	95.4	Very high	86.1	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-58.1	-46.1	177.5	-66.7	175.4	0	0	0	110.7	H577 W586 Y588 M598 I635 F639 R679 S680 E681 F686 A687 M693	H577-I683 HydrophobicContact CB-CD1 4.03Å; W586-I683 HydrophobicContact CB-CB 4.41Å; W586-I683 HydrophobicContact CB-CG2 3.47Å; W586-I683 VanDerWaalsContact CB-CG2 3.47Å; W586-I683 HydrophobicContact CG-CG2 4.08Å; Y588-I683 HydrophobicContact CD2-CD1 4.07Å; Y588-I683 HydrophobicContact CG-CD1 4.4Å; M598-I683 HydrophobicContact CE-CD1 4.09Å; I635-I683 HydrophobicContact CD1-CG1 4.29Å; I635-I683 HydrophobicContact CG2-CG1 3.91Å; F639-I683 HydrophobicContact CE2-CG1 4.44Å; F639-I683 HydrophobicContact CE2-CG2 4.32Å; F639-I683 HydrophobicContact CZ-CG2 3.98Å; R679-I683 WeakPolarHBondContact O-CG1 3.28Å; R679-I683 PolarHBondContact O-N 2.84Å; S680-I683 PolarHBondContact O-N 3.44Å; E681-I683 PolarHBondContact O-N 3.42Å; I683-F686 PolarHBondContact O-N 2.8Å; I683-A687 VanDerWaalsContact O-CB 3.25Å; I683-A687 WeakPolarHBondContact O-CB 3.41Å; I683-A687 PolarHBondContact O-N 3.33Å; I683-M693 HydrophobicContact CG2-CE 3.56Å
684	N	93.7	Very high	87.1	Confident	43 Å²	43	44.4 Å²	44.4	23%	0.23	26%	0.26	C	S	.	.	H	α-helix	trans	-65.9	-45.2	-180	-73.1	-74.1	0	0	0	112.1	W586 S680 E681 C682 A687 S688	W586-N684 PolarHBondContact N-OD1 2.93Å; W586-N684 PolarHBondContact O-ND2 3.19Å; S680-N684 PolarHBondContact O-N 2.8Å; S680-N684 PolarHBondContact O-ND2 3.1Å; E681-N684 PolarHBondContact O-N 3.27Å; C682-N684 VanDerWaalsContact C-N 3.32Å; C682-N684 PolarHBondContact O-N 2.78Å; N684-A687 PolarHBondContact O-N 3.45Å; N684-S688 WeakPolarHBondContact O-CB 3.36Å; N684-S688 PolarHBondContact O-N 2.88Å
685	K	94.4	Very high	87.9	Confident	60 Å²	60	41.8 Å²	41.8	26%	0.261	24%	0.243	S	C	.	.	H	α-helix	trans	-60.3	-46.8	176.7	173	64.2	176.2	-175.7	0	111	D621 W625 E681 C682 S688 V689	D621-K685 VanDerWaalsContact CG-NZ 3.35Å; D621-K685 WeakPolarHBondContact OD1-CE 3.47Å; D621-K685 IonicContact OD1-NZ 3.97Å; D621-K685 PolarHBondContact OD1-NZ 3.26Å; D621-K685 WeakPolarHBondContact OD2-CE 3.2Å; D621-K685 IonicContact OD2-NZ 2.88Å; D621-K685 PolarHBondContact OD2-NZ 3.28Å; W625-K685 HydrophobicContact CD2-CG 4.18Å; W625-K685 HydrophobicContact CE3-CD 4.39Å; W625-K685 HydrophobicContact CE3-CG 4.31Å; E681-K685 WeakPolarHBondContact O-CB 3.3Å; E681-K685 PolarHBondContact O-N 2.76Å; C682-K685 PolarHBondContact O-N 3Å; K685-S688 WeakPolarHBondContact O-CB 3.47Å; K685-S688 PolarHBondContact O-N 3Å; K685-V689 HydrophobicContact CD-CG2 4.39Å; K685-V689 WeakPolarHBondContact O-CG2 3.44Å; K685-V689 PolarHBondContact O-N 2.99Å
686	F	95.4	Very high	88.4	Confident	0 Å²	0	46 Å²	46	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-67.8	-43.2	-178.5	-58.6	-11.2	0	0	0	110.8	I622 W625 V626 C632 I635 A636 F639 C682 I683 S688 V689 F690	I622-F686 HydrophobicContact CB-CD1 4.29Å; I622-F686 HydrophobicContact CB-CE1 4.31Å; I622-F686 HydrophobicContact CD1-CB 4.23Å; I622-F686 HydrophobicContact CD1-CD1 4.08Å; I622-F686 HydrophobicContact CD1-CG 4.25Å; I622-F686 HydrophobicContact CG1-CD1 3.76Å; I622-F686 HydrophobicContact CG1-CE1 4.25Å; I622-F686 HydrophobicContact CG1-CG 4.42Å; I622-F686 HydrophobicContact CG2-CD1 3.86Å; I622-F686 HydrophobicContact CG2-CE1 3.69Å; I622-F686 HydrophobicContact CG2-CE2 4.46Å; I622-F686 HydrophobicContact CG2-CG 4.35Å; I622-F686 HydrophobicContact CG2-CZ 4.01Å; W625-F686 AromaticContact CD1-CE1 3.97Å; W625-F686 HydrophobicContact CG-CE1 4.41Å; V626-F686 HydrophobicContact CG2-CZ 3.89Å; C632-F686 HydrophobicContact CB-CE2 4.1Å; C632-F686 HydrophobicContact CB-CZ 4.02Å; I635-F686 HydrophobicContact CB-CE2 4.14Å; I635-F686 HydrophobicContact CG2-CD2 3.83Å; I635-F686 HydrophobicContact CG2-CE2 3.93Å; A636-F686 HydrophobicContact CB-CD2 4.35Å; A636-F686 HydrophobicContact CB-CE2 3.74Å; A636-F686 HydrophobicContact CB-CZ 4.14Å; F639-F686 HydrophobicContact CD1-CB 3.7Å; F639-F686 HydrophobicContact CD2-CB 4.47Å; F639-F686 HydrophobicContact CD2-CD2 4.34Å; F639-F686 HydrophobicContact CE1-CB 3.69Å; F639-F686 HydrophobicContact CE2-CB 4.43Å; F639-F686 HydrophobicContact CG-CB 4.11Å; F639-F686 HydrophobicContact CG-CD2 4.47Å; F639-F686 HydrophobicContact CZ-CB 4.07Å; C682-F686 HydrophobicContact CB-CD2 4.49Å; C682-F686 HydrophobicContact CB-CE1 4.43Å; C682-F686 HydrophobicContact CB-CE2 3.92Å; C682-F686 HydrophobicContact CB-CZ 3.89Å; C682-F686 WeakPolarHBondContact O-CB 3.22Å; C682-F686 VanDerWaalsContact O-CD1 3.32Å; C682-F686 WeakPolarHBondContact O-CD1 3.11Å; C682-F686 WeakPolarHBondContact O-CD2 3Å; C682-F686 WeakPolarHBondContact O-CG 3.5Å; C682-F686 PolarHBondContact O-N 3.24Å; I683-F686 PolarHBondContact O-N 2.8Å; F686-S688 VanDerWaalsContact C-N 3.26Å; F686-S688 PolarHBondContact O-N 2.97Å; F686-V689 PolarHBondContact O-N 3.11Å; F686-V689 VanDerWaalsContact O-N 3.11Å; F686-F690 VanDerWaalsContact O-CD2 3.31Å; F686-F690 WeakPolarHBondContact O-CD2 3.25Å; F686-F690 PolarHBondContact O-N 3.47Å
687	A	89.1	Confident	88.7	Confident	10 Å²	10	45.4 Å²	45.4	8%	0.083	26%	0.262	C	S	.	.	H	α-helix	trans	-58.6	-38.4	174.7	0	0	0	0	0	112.3	F639 I683 N684 G691 T692 M693	F639-A687 HydrophobicContact CE1-CB 4.12Å; F639-A687 HydrophobicContact CZ-CB 4.45Å; I683-A687 VanDerWaalsContact O-CB 3.25Å; I683-A687 WeakPolarHBondContact O-CB 3.41Å; I683-A687 PolarHBondContact O-N 3.33Å; N684-A687 PolarHBondContact O-N 3.45Å; A687-G691 PolarHBondContact O-N 3.42Å; A687-T692 PolarHBondContact O-N 3.11Å; A687-M693 HydrophobicContact CB-CE 3.67Å
688	S	88.9	Confident	88.7	Confident	93 Å²	93	43.1 Å²	43.1	65%	0.65	25%	0.248	S	C	*	.	H	α-helix	trans	-63.8	-44.3	173.9	175.4	0	0	0	0	112.4	N684 K685 F686 G691	N684-S688 WeakPolarHBondContact O-CB 3.36Å; N684-S688 PolarHBondContact O-N 2.88Å; K685-S688 WeakPolarHBondContact O-CB 3.47Å; K685-S688 PolarHBondContact O-N 3Å; F686-S688 VanDerWaalsContact C-N 3.26Å; F686-S688 PolarHBondContact O-N 2.97Å; S688-G691 PolarHBondContact O-N 2.92Å
689	V	88.3	Confident	88.7	Confident	45 Å²	45	47 Å²	47	27%	0.273	27%	0.266	S	S	.	.	H	α-helix	trans	-68.8	-38.6	179.6	173.5	0	0	0	0	112.1	P619 I622 K685 F686 G691	P619-V689 HydrophobicContact CB-CG1 4.07Å; I622-V689 HydrophobicContact CD1-CB 4.01Å; I622-V689 HydrophobicContact CD1-CG1 3.81Å; I622-V689 HydrophobicContact CG1-CB 4.15Å; I622-V689 HydrophobicContact CG1-CG1 3.96Å; I622-V689 HydrophobicContact CG1-CG2 4.29Å; K685-V689 HydrophobicContact CD-CG2 4.39Å; K685-V689 WeakPolarHBondContact O-CG2 3.44Å; K685-V689 PolarHBondContact O-N 2.99Å; F686-V689 PolarHBondContact O-N 3.11Å; F686-V689 VanDerWaalsContact O-N 3.11Å; V689-G691 VanDerWaalsContact C-N 3.26Å; V689-G691 PolarHBondContact O-N 2.03Å
690	F	80.2	Confident	88.2	Confident	27 Å²	27	50.5 Å²	50.5	12%	0.118	28%	0.283	C	S	.	.	H	α-helix	trans	-76.2	-12.5	175.4	-82	-83.7	0	0	0	113.2	M618 P619 I622 F639 N643 F686 T692	M618-F690 HydrophobicContact SD-CZ 4.48Å; P619-F690 HydrophobicContact CG-CD1 4.26Å; P619-F690 HydrophobicContact CG-CE1 3.65Å; P619-F690 HydrophobicContact CG-CZ 3.84Å; I622-F690 HydrophobicContact CD1-CD2 3.73Å; I622-F690 HydrophobicContact CD1-CE2 3.34Å; I622-F690 HydrophobicContact CD1-CZ 4.28Å; F639-F690 HydrophobicContact CB-CD2 4.4Å; F639-F690 HydrophobicContact CB-CE2 3.87Å; F639-F690 HydrophobicContact CB-CZ 4.38Å; F639-F690 AromaticContact CD1-CD2 3.78Å; F639-F690 HydrophobicContact CD1-CD2 3.78Å; F639-F690 HydrophobicContact CD1-CE2 4.11Å; F639-F690 HydrophobicContact CG-CE2 4.47Å; N643-F690 HydrophobicContact CB-CD1 3.97Å; N643-F690 HydrophobicContact CB-CE1 3.78Å; F686-F690 VanDerWaalsContact O-CD2 3.31Å; F686-F690 WeakPolarHBondContact O-CD2 3.25Å; F686-F690 PolarHBondContact O-N 3.47Å; F690-T692 PolarHBondContact O-N 2.81Å
691	G	79.6	Confident	88	Confident	62 Å²	62	54.6 Å²	54.6	64%	0.639	30%	0.295	S	S	*	.	S	Bend	trans	73.3	-3.9	-179.1	0	0	0	0	0	115	A687 S688 V689	A687-G691 PolarHBondContact O-N 3.42Å; S688-G691 PolarHBondContact O-N 2.92Å; V689-G691 VanDerWaalsContact C-N 3.26Å; V689-G691 PolarHBondContact O-N 2.03Å
692	T	80.2	Confident	87.8	Confident	87 Å²	87	50.2 Å²	50.2	53%	0.534	28%	0.277	S	S	.	.	S	Bend	trans	-151.4	169.4	178.5	60	0	0	0	0	109.8	A687 F690 P694	A687-T692 PolarHBondContact O-N 3.11Å; F690-T692 PolarHBondContact O-N 2.81Å; T692-P694 WeakPolarHBondContact O-CD 3.45Å
693	M	87.3	Confident	87.5	Confident	42 Å²	42	52.4 Å²	52.4	21%	0.207	29%	0.289	C	S	.	.			trans	-89.5	103.8	167.8	-179.1	51.4	70.9	0	0	109.4	W586 F639 I683 A687 L695	W586-M693 HydrophobicContact CB-CE 4.15Å; W586-M693 HydrophobicContact CD2-CE 3.38Å; W586-M693 VanDerWaalsContact CE2-CE 3.44Å; W586-M693 HydrophobicContact CE3-CE 4.12Å; W586-M693 HydrophobicContact CG-CE 3.36Å; W586-M693 HydrophobicContact CH2-CB 4.41Å; W586-M693 HydrophobicContact CH2-CG 4.2Å; W586-M693 HydrophobicContact CZ2-CB 3.81Å; W586-M693 HydrophobicContact CZ2-CE 4.22Å; W586-M693 HydrophobicContact CZ2-CG 3.97Å; F639-M693 HydrophobicContact CE1-CE 4.48Å; F639-M693 HydrophobicContact CE1-SD 4.03Å; F639-M693 HydrophobicContact CE2-SD 4.44Å; F639-M693 HydrophobicContact CZ-CE 3.94Å; F639-M693 HydrophobicContact CZ-SD 3.63Å; I683-M693 HydrophobicContact CG2-CE 3.56Å; A687-M693 HydrophobicContact CB-CE 3.67Å; M693-L695 HydrophobicContact CG-CB 4.49Å; M693-L695 HydrophobicContact SD-CB 3.92Å; M693-L695 HydrophobicContact SD-CD1 4.23Å; M693-L695 HydrophobicContact SD-CG 4.01Å
694	P	81.2	Confident	87.1	Confident	11 Å²	11	53.5 Å²	53.5	7%	0.071	30%	0.296	C	S	.	.			trans	-79.4	-21.4	-178	31.9	-36.2	0	0	0	113.1	F639 A642 N643 T692	F639-P694 HydrophobicContact CB-CG 4.24Å; F639-P694 HydrophobicContact CD1-CG 3.3Å; F639-P694 VanDerWaalsContact CE1-CD 3.48Å; F639-P694 HydrophobicContact CE1-CG 3.77Å; F639-P694 HydrophobicContact CG-CG 3.88Å; A642-P694 HydrophobicContact CB-CB 4.36Å; A642-P694 WeakPolarHBondContact CB-O 3.48Å; N643-P694 HydrophobicContact CB-CB 3.75Å; N643-P694 HydrophobicContact CB-CG 4.35Å; T692-P694 WeakPolarHBondContact O-CD 3.45Å
695	L	88.8	Confident	86.6	Confident	9 Å²	9	58.2 Å²	58.2	5%	0.047	33%	0.326	C	S	.	.			trans	-65	140.4	-179.1	-61.4	-176.6	0	0	0	110.7	H577 M598 N638 F639 A642 M693	H577-L695 HydrophobicContact CB-CD1 4.08Å; H577-L695 VanDerWaalsContact CE1-CB 3.41Å; H577-L695 WeakPolarHBondContact CE1-CB 3.28Å; M598-L695 HydrophobicContact CE-CD1 4.15Å; M598-L695 HydrophobicContact CG-CD1 3.67Å; M598-L695 HydrophobicContact CG-CD2 3.98Å; M598-L695 HydrophobicContact CG-CG 4.45Å; M598-L695 HydrophobicContact SD-CD1 3.59Å; M598-L695 VanDerWaalsContact SD-CD1 3.59Å; N638-L695 HydrophobicContact CB-CD2 3.93Å; F639-L695 HydrophobicContact CD2-CD1 3.91Å; F639-L695 HydrophobicContact CD2-CD2 3.85Å; F639-L695 HydrophobicContact CD2-CG 3.83Å; F639-L695 HydrophobicContact CE2-CD1 3.39Å; F639-L695 HydrophobicContact CE2-CD2 4.18Å; F639-L695 HydrophobicContact CE2-CG 3.64Å; F639-L695 HydrophobicContact CG-CD2 4.47Å; F639-L695 HydrophobicContact CZ-CD1 4.1Å; F639-L695 HydrophobicContact CZ-CG 4.16Å; A642-L695 HydrophobicContact CB-CD2 4.31Å; M693-L695 HydrophobicContact CG-CB 4.49Å; M693-L695 HydrophobicContact SD-CB 3.92Å; M693-L695 HydrophobicContact SD-CD1 4.23Å; M693-L695 HydrophobicContact SD-CG 4.01Å
696	K	84.7	Confident	85.9	Confident	105 Å²	105	57.9 Å²	57.9	46%	0.457	33%	0.327	S	S	.	.			trans	-123.4	129.4	179.7	-66.4	-174.3	179.2	-171.4	0	109.7	S597 G646 A648	S597-K696 WeakPolarHBondContact CA-O 3.42Å; S597-K696 WeakPolarHBondContact CB-O 3.21Å; G646-K696 VanDerWaalsContact O-CE 3.28Å; G646-K696 WeakPolarHBondContact O-CE 3.34Å; G646-K696 PolarHBondContact O-NZ 3.4Å; A648-K696 HydrophobicContact CB-CB 4.02Å
697	V	87.4	Confident	85.2	Confident	63 Å²	63	60.1 Å²	60.1	38%	0.382	34%	0.336	S	S	.	.			trans	-77.5	132.6	174.7	-175	0	0	0	0	109.2	L576 E595	L576-V697 HydrophobicContact CD1-CB 4.44Å; L576-V697 HydrophobicContact CD1-CG1 3.85Å; L576-V697 HydrophobicContact CD1-CG2 3.85Å; E595-V697 HydrophobicContact CB-CG1 3.65Å; E595-V697 HydrophobicContact CG-CG1 3.87Å
698	V	86.2	Confident	84.7	Confident	39 Å²	39	67.6 Å²	67.6	24%	0.236	37%	0.366	C	S	.	.	B	Isolated β-bridge	trans	-139.4	149.5	175.2	-67.2	0	0	0	0	111.3	E595 V596 A648 H700	E595-V698 CarbonylContact C-O 3.55Å; E595-V698 WeakPolarHBondContact CA-O 3.36Å; V596-V698 PolarHBondContact N-O 2.94Å; V596-V698 WeakPolarHBondContact O-CG2 3.47Å; V596-V698 PolarHBondContact O-N 3.44Å; A648-V698 HydrophobicContact CB-CB 4.15Å; A648-V698 HydrophobicContact CB-CG1 3.36Å; A648-V698 HydrophobicContact CB-CG2 3.65Å; V698-H700 HydrophobicContact CB-CB 4.47Å; V698-H700 HydrophobicContact CG2-CB 4.44Å
699	E	87.1	Confident	84.3	Confident	142 Å²	142	66.9 Å²	66.9	66%	0.664	36%	0.355	S	S	*	.			trans	-105	58.8	170.7	-62.9	-169.3	136.8	0	0	110	E595	E595-E699 HydrophobicContact CG-CG 3.8Å
700	H	82.4	Confident	83.9	Confident	91 Å²	91	72.9 Å²	72.9	42%	0.421	39%	0.386	S	S	.	.			trans	-124.7	125.7	-176.1	-176	-92.9	0	0	0	111.7	V698	V698-H700 HydrophobicContact CB-CB 4.47Å; V698-H700 HydrophobicContact CG2-CB 4.44Å
701	R	88.5	Confident	83.9	Confident	108 Å²	108	76.3 Å²	76.3	41%	0.408	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	132.2	171.6	-175.9	-179.8	79.9	-151.4	-4	109.6	K651 T653 D703	K651-R701 HydrophobicContact CG-CG 4.44Å; K651-R701 CarbonylContact O-C 3.52Å; K651-R701 VanDerWaalsContact O-CA 3.3Å; K651-R701 WeakPolarHBondContact O-CA 3.42Å; T653-R701 WeakPolarHBondContact O-CD 3.47Å; R701-D703 IonicContact CZ-OD1 2.73Å; R701-D703 IonicContact CZ-OD2 3.42Å; R701-D703 VanDerWaalsContact NE-CG 3.33Å; R701-D703 IonicContact NE-OD1 2.76Å; R701-D703 PolarHBondContact NE-OD1 3.19Å; R701-D703 VanDerWaalsContact NE-OD1 3.12Å; R701-D703 IonicContact NE-OD2 3.23Å; R701-D703 PolarHBondContact NE-OD2 3.42Å; R701-D703 IonicContact NH2-OD1 3.82Å; R701-D703 IonicContact NH2-OD2 3.41Å; R701-D703 PolarHBondContact NH2-OD2 2.71Å
702	A	90.3	Very high	84.1	Confident	16 Å²	16	77.2 Å²	77.2	13%	0.132	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	128.5	170.5	0	0	0	0	0	110.3	F557 V561 I650 K651 V652 T653	F557-A702 WeakPolarHBondContact CE1-O 3.21Å; F557-A702 HydrophobicContact CZ-CB 4.37Å; V561-A702 HydrophobicContact CG1-CB 3.95Å; V561-A702 HydrophobicContact CG2-CB 3.93Å; I650-A702 HydrophobicContact CG2-CB 4.07Å; K651-A702 PolarHBondContact O-N 2.72Å; V652-A702 HydrophobicContact CG1-CB 4.22Å; T653-A702 PolarHBondContact N-O 3.38Å; T653-A702 VanDerWaalsContact N-O 3.14Å
703	D	88.6	Confident	84.1	Confident	48 Å²	48	80 Å²	80	26%	0.257	40%	0.402	S	S	.	.			trans	-128.7	153.5	172.3	-66.2	-49.9	0	0	0	109	R701 Y707	R701-D703 IonicContact CZ-OD1 2.73Å; R701-D703 IonicContact CZ-OD2 3.42Å; R701-D703 VanDerWaalsContact NE-CG 3.33Å; R701-D703 IonicContact NE-OD1 2.76Å; R701-D703 PolarHBondContact NE-OD1 3.19Å; R701-D703 VanDerWaalsContact NE-OD1 3.12Å; R701-D703 IonicContact NE-OD2 3.23Å; R701-D703 PolarHBondContact NE-OD2 3.42Å; R701-D703 IonicContact NH2-OD1 3.82Å; R701-D703 IonicContact NH2-OD2 3.41Å; R701-D703 PolarHBondContact NH2-OD2 2.71Å; D703-Y707 HydrophobicContact CB-CD1 3.62Å; D703-Y707 HydrophobicContact CB-CE1 4.36Å; D703-Y707 HydrophobicContact CB-CG 3.95Å
704	P	86.6	Confident	83.7	Confident	22 Å²	22	87.8 Å²	87.8	14%	0.143	44%	0.435	C	S	.	.			trans	-58.7	151.9	171.7	-18	25	0	0	0	112.3	F557 L706 Y707 F718 I721	F557-P704 HydrophobicContact CD1-CG 4.49Å; F557-P704 HydrophobicContact CD2-CG 3.97Å; F557-P704 HydrophobicContact CE1-CG 4.41Å; F557-P704 HydrophobicContact CE2-CB 4.23Å; F557-P704 HydrophobicContact CE2-CG 3.88Å; F557-P704 HydrophobicContact CG-CG 4.28Å; F557-P704 HydrophobicContact CZ-CG 4.12Å; P704-L706 VanDerWaalsContact C-N 3.28Å; P704-L706 PolarHBondContact O-N 3.13Å; P704-Y707 WeakPolarHBondContact O-CB 3.38Å; P704-Y707 PolarHBondContact O-N 3.38Å; P704-F718 HydrophobicContact CB-CD2 4.21Å; P704-F718 HydrophobicContact CG-CB 4.43Å; P704-F718 HydrophobicContact CG-CD2 4.18Å; P704-I721 HydrophobicContact CG-CD1 3.26Å
705	V	83.4	Confident	83.6	Confident	142 Å²	142	92.2 Å²	92.2	86%	0.861	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-41.3	-177.3	177.5	0	0	0	0	113.4	Y707	V705-Y707 VanDerWaalsContact C-N 3.35Å
706	L	80.4	Confident	83.4	Confident	53 Å²	53	94.4 Å²	94.4	28%	0.277	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	23.2	-178.7	-60.3	178.2	0	0	0	113.2	P704 K708 D709 F711 K716	P704-L706 VanDerWaalsContact C-N 3.28Å; P704-L706 PolarHBondContact O-N 3.13Å; L706-K708 PolarHBondContact O-N 3.48Å; L706-D709 PolarHBondContact O-N 2.84Å; L706-F711 HydrophobicContact CD1-CD1 4.05Å; L706-K716 HydrophobicContact CB-CG 4.21Å; L706-K716 HydrophobicContact CD1-CG 4.31Å
707	Y	80.3	Confident	83.2	Confident	48 Å²	48	94.4 Å²	94.4	19%	0.188	48%	0.48	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	125.1	-178.4	176.8	-112.6	0	0	0	111	P654 D703 P704 V705 D709 I721	P654-Y707 WeakPolarHBondContact CD-OH 3.45Å; P654-Y707 WeakPolarHBondContact CG-OH 3.29Å; D703-Y707 HydrophobicContact CB-CD1 3.62Å; D703-Y707 HydrophobicContact CB-CE1 4.36Å; D703-Y707 HydrophobicContact CB-CG 3.95Å; P704-Y707 WeakPolarHBondContact O-CB 3.38Å; P704-Y707 PolarHBondContact O-N 3.38Å; V705-Y707 VanDerWaalsContact C-N 3.35Å; Y707-D709 PolarHBondContact O-N 2.87Å; Y707-I721 HydrophobicContact CD2-CG2 4Å; Y707-I721 HydrophobicContact CE2-CG2 3.95Å
708	K	77.9	Confident	83.1	Confident	167 Å²	167	93.6 Å²	93.6	73%	0.726	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.1	2.6	-172.1	-62.2	-176.2	170.2	-170.5	0	116.2	L706	L706-K708 PolarHBondContact O-N 3.48Å
709	D	80.3	Confident	82.9	Confident	78 Å²	78	94.5 Å²	94.5	42%	0.417	48%	0.478	S	S	.	.			trans	-71.9	140.1	171.8	-70.7	-13.9	0	0	0	110.9	L706 Y707 F711 K716	L706-D709 PolarHBondContact O-N 2.84Å; Y707-D709 PolarHBondContact O-N 2.87Å; D709-F711 VanDerWaalsContact C-N 3.27Å; D709-F711 PolarHBondContact O-N 3.23Å; D709-K716 WeakPolarHBondContact O-CE 3.5Å; D709-K716 PolarHBondContact O-NZ 2.92Å
710	D	80.1	Confident	82.6	Confident	171 Å²	171	91.4 Å²	91.4	91%	0.914	47%	0.466	S	S	*	.			trans	-77.1	79.4	174.3	-169.6	17.4	0	0	0	109.6
711	F	80.6	Confident	82.5	Confident	99 Å²	99	87.9 Å²	87.9	43%	0.434	45%	0.45	S	S	.	.			trans	-134.6	145	-175.5	-135.4	-109.8	0	0	0	110.2	L706 D709 E713 L715 K716	L706-F711 HydrophobicContact CD1-CD1 4.05Å; D709-F711 VanDerWaalsContact C-N 3.27Å; D709-F711 PolarHBondContact O-N 3.23Å; F711-E713 PolarHBondContact O-N 3.43Å; F711-L715 HydrophobicContact CD1-CB 3.84Å; F711-L715 HydrophobicContact CD1-CD1 3.89Å; F711-L715 HydrophobicContact CE1-CB 4Å; F711-L715 HydrophobicContact CE1-CD1 3.46Å; F711-L715 VanDerWaalsContact CE1-CD1 3.46Å; F711-L715 HydrophobicContact CE1-CG 4.37Å; F711-L715 HydrophobicContact CZ-CD1 4.4Å; F711-K716 VanDerWaalsContact O-CE 3.29Å; F711-K716 WeakPolarHBondContact O-CE 3.21Å; F711-K716 PolarHBondContact O-NZ 3.21Å
712	P	83.3	Confident	81.6	Confident	80 Å²	80	84.8 Å²	84.8	52%	0.519	45%	0.452	S	S	.	.			trans	-54.4	132.1	179.9	-25.9	33.7	0	0	0	112.5	K714 L715	P712-K714 PolarHBondContact O-N 3.2Å; P712-K714 VanDerWaalsContact O-N 3.1Å; P712-L715 HydrophobicContact CB-CD1 4.39Å; P712-L715 HydrophobicContact CB-CG 4.49Å; P712-L715 HydrophobicContact CG-CD1 4.29Å; P712-L715 PolarHBondContact O-N 3.48Å
713	E	80	Confident	80.4	Confident	147 Å²	147	86.1 Å²	86.1	69%	0.687	46%	0.46	S	S	*	.	G	3₁₀ helix	trans	-54.6	-35.1	-176.4	-69.8	-179.1	171.8	0	0	113.3	F711 L715 K716	F711-E713 PolarHBondContact O-N 3.43Å; E713-L715 PolarHBondContact O-N 3.5Å; E713-L715 VanDerWaalsContact O-N 3.08Å; E713-K716 PolarHBondContact O-N 3.37Å
714	K	79.8	Confident	78.7	Confident	205 Å²	205	93.3 Å²	93.3	89%	0.891	50%	0.497	S	S	*	.	G	3₁₀ helix	trans	-60	-20.1	177.6	-65.8	-175.4	-180	-179.7	0	114.2	P712	P712-K714 PolarHBondContact O-N 3.2Å; P712-K714 VanDerWaalsContact O-N 3.1Å
715	L	79.7	Confident	78.3	Confident	104 Å²	104	96.9 Å²	96.9	55%	0.545	52%	0.515	S	S	.	.	G	3₁₀ helix	trans	-99.2	-7.4	179.6	-60.1	177.7	0	0	0	112.2	F711 P712 E713	F711-L715 HydrophobicContact CD1-CB 3.84Å; F711-L715 HydrophobicContact CD1-CD1 3.89Å; F711-L715 HydrophobicContact CE1-CB 4Å; F711-L715 HydrophobicContact CE1-CD1 3.46Å; F711-L715 VanDerWaalsContact CE1-CD1 3.46Å; F711-L715 HydrophobicContact CE1-CG 4.37Å; F711-L715 HydrophobicContact CZ-CD1 4.4Å; P712-L715 HydrophobicContact CB-CD1 4.39Å; P712-L715 HydrophobicContact CB-CG 4.49Å; P712-L715 HydrophobicContact CG-CD1 4.29Å; P712-L715 PolarHBondContact O-N 3.48Å; E713-L715 PolarHBondContact O-N 3.5Å; E713-L715 VanDerWaalsContact O-N 3.08Å
716	K	83.1	Confident	78.1	Confident	54 Å²	54	94.5 Å²	94.5	24%	0.235	50%	0.497	C	S	.	.			trans	-87.4	124.7	175.3	-65.5	-179.5	174.1	172.7	0	109	L706 D709 F711 E713 F718	L706-K716 HydrophobicContact CB-CG 4.21Å; L706-K716 HydrophobicContact CD1-CG 4.31Å; D709-K716 WeakPolarHBondContact O-CE 3.5Å; D709-K716 PolarHBondContact O-NZ 2.92Å; F711-K716 VanDerWaalsContact O-CE 3.29Å; F711-K716 WeakPolarHBondContact O-CE 3.21Å; F711-K716 PolarHBondContact O-NZ 3.21Å; E713-K716 PolarHBondContact O-N 3.37Å; K716-F718 PolarHBondContact O-N 3.36Å
717	S	80.7	Confident	77.9	Confident	105 Å²	105	96.8 Å²	96.8	73%	0.734	51%	0.509	S	S	*	.	S	Bend	trans	-66.3	-23.3	177.4	-52.9	0	0	0	0	113.7
718	F	86.4	Confident	77.8	Confident	47 Å²	47	99.6 Å²	99.6	21%	0.206	53%	0.528	C	S	.	.			trans	-135.6	71.6	-177.9	-57.9	-68.6	0	0	0	110.4	D553 Q556 F557 E560 P704 K716 N720 I721	D553-F718 HydrophobicContact CB-CB 4.23Å; D553-F718 HydrophobicContact CB-CD1 4.25Å; Q556-F718 HydrophobicContact CB-CE1 4.06Å; Q556-F718 HydrophobicContact CG-CE1 3.69Å; Q556-F718 HydrophobicContact CG-CZ 4.41Å; F557-F718 HydrophobicContact CB-CD1 4.22Å; F557-F718 HydrophobicContact CB-CD2 4.32Å; F557-F718 HydrophobicContact CB-CE1 4.21Å; F557-F718 HydrophobicContact CB-CE2 4.3Å; F557-F718 HydrophobicContact CB-CG 4.29Å; F557-F718 HydrophobicContact CB-CZ 4.24Å; F557-F718 AromaticContact CD2-CD2 3.91Å; F557-F718 HydrophobicContact CD2-CD2 3.91Å; F557-F718 AromaticContact CD2-CE2 3.7Å; F557-F718 HydrophobicContact CD2-CE2 3.7Å; F557-F718 HydrophobicContact CD2-CZ 4.3Å; F557-F718 HydrophobicContact CG-CD2 4.47Å; F557-F718 HydrophobicContact CG-CE2 4.47Å; E560-F718 HydrophobicContact CG-CZ 4.27Å; P704-F718 HydrophobicContact CB-CD2 4.21Å; P704-F718 HydrophobicContact CG-CB 4.43Å; P704-F718 HydrophobicContact CG-CD2 4.18Å; K716-F718 PolarHBondContact O-N 3.36Å; F718-N720 VanDerWaalsContact C-N 3.27Å; F718-N720 PolarHBondContact O-N 3.14Å; F718-I721 HydrophobicContact CB-CD1 3.39Å; F718-I721 HydrophobicContact CB-CG1 3.9Å; F718-I721 HydrophobicContact CD2-CD1 4.38Å; F718-I721 HydrophobicContact CG-CD1 3.93Å
719	P	81.5	Confident	77.8	Confident	57 Å²	57	95.4 Å²	95.4	37%	0.37	52%	0.515	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-25.5	-172.3	26.7	-34.6	0	0	0	113.6	D553	D553-P719 WeakPolarHBondContact OD2-CD 3.35Å
720	N	80.3	Confident	77.6	Confident	78 Å²	78	96.6 Å²	96.6	42%	0.417	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	12.2	-174	-54.8	-63.1	0	0	0	114.3	T551 D553 F718 G722 S723	T551-N720 PolarHBondContact OG1-O 3.22Å; D553-N720 HydrophobicContact CB-CB 4.19Å; D553-N720 WeakPolarHBondContact OD2-CB 3.3Å; D553-N720 PolarHBondContact OD2-N 3.03Å; D553-N720 PolarHBondContact OD2-ND2 2.89Å; F718-N720 VanDerWaalsContact C-N 3.27Å; F718-N720 PolarHBondContact O-N 3.14Å; N720-G722 PolarHBondContact O-N 2.83Å; N720-S723 WeakPolarHBondContact CA-OG 3.37Å; N720-S723 WeakPolarHBondContact CB-OG 3.49Å; N720-S723 WeakPolarHBondContact O-CB 3.4Å; N720-S723 PolarHBondContact O-N 2.92Å; N720-S723 PolarHBondContact O-OG 3.03Å
721	I	81.6	Confident	77.4	Confident	17 Å²	17	91.3 Å²	91.3	9%	0.087	49%	0.494	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	124.1	178	-79.7	176.1	0	0	0	110.9	D553 E554 F557 T653 P704 Y707 F718 S723	D553-I721 HydrophobicContact CB-CG1 4.23Å; E554-I721 HydrophobicContact CG-CG1 4.02Å; F557-I721 HydrophobicContact CB-CD1 3.72Å; F557-I721 HydrophobicContact CD1-CD1 4.04Å; F557-I721 HydrophobicContact CD2-CD1 4.45Å; F557-I721 HydrophobicContact CG-CD1 3.81Å; T653-I721 HydrophobicContact CG2-CG2 4.24Å; P704-I721 HydrophobicContact CG-CD1 3.26Å; Y707-I721 HydrophobicContact CD2-CG2 4Å; Y707-I721 HydrophobicContact CE2-CG2 3.95Å; F718-I721 HydrophobicContact CB-CD1 3.39Å; F718-I721 HydrophobicContact CB-CG1 3.9Å; F718-I721 HydrophobicContact CD2-CD1 4.38Å; F718-I721 HydrophobicContact CG-CD1 3.93Å; I721-S723 PolarHBondContact O-N 2.79Å
722	G	67.9	Low	77.2	Confident	43 Å²	43	90.7 Å²	90.7	44%	0.443	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.4	7.1	-176.7	0	0	0	0	0	114.7	E554 N720	E554-G722 PolarHBondContact OE1-N 3.49Å; E554-G722 VanDerWaalsContact OE1-N 3.15Å; N720-G722 PolarHBondContact O-N 2.83Å
723	S	66.2	Low	76.7	Confident	43 Å²	43	91.6 Å²	91.6	30%	0.301	50%	0.497	S	S	.	.			trans	-74.8	153.4	169.7	67.6	0	0	0	0	111.2	R655 N720 I721	R655-S723 PolarHBondContact NH1-O 2.72Å; N720-S723 WeakPolarHBondContact CA-OG 3.37Å; N720-S723 WeakPolarHBondContact CB-OG 3.49Å; N720-S723 WeakPolarHBondContact O-CB 3.4Å; N720-S723 PolarHBondContact O-N 2.92Å; N720-S723 PolarHBondContact O-OG 3.03Å; I721-S723 PolarHBondContact O-N 2.79Å
724	L	53	Low	76.4	Confident	199 Å²	199	86.5 Å²	86.5	100%	1.042	48%	0.479	S	S	*	.			trans	-122.2	0	170.4	-87.2	168.3	0	0	0	109.1	M549	M549-L724 HydrophobicContact CE-CD2 3.39Å

Retrieved 724 of 724 residues in 376.6 ms (Link to these results)

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