A0A087XI94_POEFO Loading...

Peptidase M20 domain containing 1, tandem duplicate 1

Secreted enzyme that regulates the endogenous N-fatty acyl amino acid (NAAs) tissue and circulating levels by functioning as a bidirectional NAA synthase/hydrolase. It condenses free fatty acids and free amino acids to generate NAAs and bidirectionally catalyzes the reverse hydrolysis reaction. Some of these NAAs stimulate oxidative metabolism via mitochondrial uncoupling, increasing energy expenditure in a UPC1-independent manner. Thereby, this secreted protein may indirectly regulate whole body energy expenditure. PM20D1 circulates in tight association with both low- and high-density (LDL and HDL,respectively) lipoprotein particles.

AlphaFold DB , UniProt , Accession A0A087XI94, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 566 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	M	36.8	Very low	29.1	Very low	245 Å²	245	147.9 Å²	147.9	100%	1.207	75%	0.75	S	S	*	*				0	112	0	-177.5	174.6	179.2	0	0	105.9
2	G	34.9	Very low	28.8	Very low	57 Å²	57	148.6 Å²	148.6	59%	0.588	76%	0.755	S	S	*	*			trans	72.2	121.5	-156.9	0	0	0	0	0	110.8
3	L	28.9	Very low	28.5	Very low	154 Å²	154	154.8 Å²	154.8	81%	0.806	76%	0.764	S	S	*	*				63.3	131.2	52.3	-69	88.9	0	0	0	114.1
4	K	28.3	Very low	29.3	Very low	173 Å²	173	151.9 Å²	151.9	75%	0.752	76%	0.763	S	S	*	*			cis	-160	145.2	-15.2	-104	-172.1	-177	-178.2	0	106.3
5	M	27.4	Very low	29.3	Very low	144 Å²	144	146.3 Å²	146.3	71%	0.709	75%	0.749	S	S	*	*				48.5	133.1	82.9	-75.8	177.6	71.9	0	0	114.5
6	Q	29	Very low	29.2	Very low	152 Å²	152	148.3 Å²	148.3	71%	0.71	76%	0.762	S	S	*	*			cis	-143.4	153.4	9.6	-95	146.2	-75.3	0	0	108.9
7	L	26.2	Very low	29	Very low	141 Å²	141	143 Å²	143	74%	0.738	75%	0.753	S	S	*	*				74.4	117.7	55.7	-84.9	168.7	0	0	0	116.3
8	T	27.1	Very low	29.1	Very low	110 Å²	110	143.3 Å²	143.3	68%	0.675	76%	0.761	S	S	*	*			trans	55.5	147.7	149.2	53.7	0	0	0	0	119.1
9	E	28.5	Very low	28.9	Very low	150 Å²	150	142.1 Å²	142.1	70%	0.701	77%	0.765	S	S	*	*			cis	-169.9	180	-4.7	-111.5	163.7	-158.2	0	0	105.7
10	F	27.5	Very low	29.5	Very low	158 Å²	158	141.3 Å²	141.3	69%	0.693	77%	0.766	S	S	*	*			cis	-162.9	-175.5	3.9	-128.7	-30.8	0	0	0	106.4
11	Q	25.7	Very low	29.4	Very low	143 Å²	143	142.2 Å²	142.2	67%	0.668	77%	0.77	S	S	*	*			cis	-162.6	-169.4	-5.9	-157.8	178.2	46.4	0	0	108.1
12	L	26	Very low	29.7	Very low	156 Å²	156	138.4 Å²	138.4	82%	0.817	75%	0.753	S	S	*	*			trans	82.7	108.7	160.9	-62.2	176.9	0	0	0	120.8
13	W	24.2	Very low	29.9	Very low	230 Å²	230	138.2 Å²	138.2	87%	0.871	75%	0.751	S	S	*	*			trans	-80.1	172.3	153.4	-149.1	-102.7	0	0	0	108.5
14	P	40.5	Very low	30.3	Very low	114 Å²	114	139 Å²	139	74%	0.74	76%	0.756	S	S	*	*			cis	-107.1	160.2	6.3	5.1	20.9	0	0	0	113.8
15	A	28.8	Very low	30.7	Very low	68 Å²	68	138.5 Å²	138.5	56%	0.562	76%	0.755	S	S	*	*				69.3	112.8	61.2	0	0	0	0	0	114.9
16	D	27.6	Very low	31	Very low	177 Å²	177	134.4 Å²	134.4	95%	0.947	75%	0.75	S	S	*	*				-166.8	155.7	124.7	-104.5	-17.3	0	0	0	111.3
17	G	26.5	Very low	31.3	Very low	59 Å²	59	135.5 Å²	135.5	61%	0.608	75%	0.753	S	S	*	*			trans	-137.2	135.5	-176	0	0	0	0	0	112.6
18	T	29.9	Very low	31.9	Very low	148 Å²	148	131.8 Å²	131.8	91%	0.908	74%	0.739	S	S	*	*			trans	60.1	98.5	175.2	57.7	0	0	0	0	117.2
19	S	26.5	Very low	32.5	Very low	120 Å²	120	131 Å²	131	84%	0.839	73%	0.733	S	S	*	*				-150.1	159.1	108.7	63.9	0	0	0	0	111.6
20	T	39.4	Very low	32.9	Very low	126 Å²	126	133.6 Å²	133.6	77%	0.773	74%	0.737	S	S	*	*			trans	-56.6	142	-175.8	46.2	0	0	0	0	114.5
21	N	28.2	Very low	33.8	Very low	162 Å²	162	130.7 Å²	130.7	87%	0.866	73%	0.728	S	S	*	*			trans	-142	122.8	148.2	-143.5	-29.1	0	0	0	111.6
22	I	43.6	Very low	34.6	Very low	164 Å²	164	127.6 Å²	127.6	84%	0.841	72%	0.721	S	S	*	*			trans	-102.7	113.8	-178.4	-64.7	172.5	0	0	0	107.6
23	G	39.3	Very low	35.4	Very low	53 Å²	53	125 Å²	125	55%	0.546	71%	0.712	S	S	.	*			trans	-177.2	145.9	176.7	0	0	0	0	0	116.7	H25	G23-H25 VanDerWaalsContact C-N 3.31Å; G23-H25 PolarHBondContact O-N 3.22Å
24	L	37.2	Very low	36.3	Very low	172 Å²	172	120.3 Å²	120.3	90%	0.901	70%	0.703	S	S	*	*	S	Bend	trans	65.5	-26.6	155.4	-60.9	169.9	0	0	0	120.4
25	H	35.5	Very low	36.4	Very low	162 Å²	162	119.1 Å²	119.1	75%	0.75	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	-13.9	-178.6	-88.4	-70.2	0	0	0	116.2	G23 S28	G23-H25 VanDerWaalsContact C-N 3.31Å; G23-H25 PolarHBondContact O-N 3.22Å; H25-S28 PolarHBondContact O-OG 2.92Å
26	G	34.3	Very low	37.3	Very low	58 Å²	58	122.7 Å²	122.7	60%	0.598	70%	0.697	S	S	*	*	H	α-helix	trans	-74	-24.5	178.3	0	0	0	0	0	115.3
27	F	36	Very low	38.3	Very low	175 Å²	175	121.9 Å²	121.9	77%	0.768	69%	0.691	S	S	*	*	H	α-helix	trans	-87.1	-21.6	-170.6	-110.1	-89.1	0	0	0	114.7
28	S	37.6	Very low	39.1	Very low	63 Å²	63	124 Å²	124	44%	0.441	69%	0.689	S	S	.	*	H	α-helix	trans	-75.2	-31.5	-178.1	55.6	0	0	0	0	113.2	H25 I31 S32	H25-S28 PolarHBondContact O-OG 2.92Å; S28-I31 PolarHBondContact O-N 3.31Å; S28-S32 PolarHBondContact O-N 3.24Å; S28-S32 PolarHBondContact O-OG 2.77Å
29	V	40.9	Very low	39.8	Very low	92 Å²	92	121.2 Å²	121.2	56%	0.558	67%	0.673	S	S	*	*	H	α-helix	trans	-69.1	-42.4	-173.7	-175.5	0	0	0	0	112.1	I31 S32	V29-I31 VanDerWaalsContact C-N 3.3Å; V29-I31 PolarHBondContact O-N 3.05Å; V29-S32 PolarHBondContact O-N 2.8Å
30	W	36.6	Very low	41.1	Very low	206 Å²	206	121.3 Å²	121.3	78%	0.78	67%	0.668	S	S	*	*	H	α-helix	trans	-64	-33	178.5	-84.5	87.2	0	0	0	113.4
31	I	46.4	Very low	41.4	Very low	97 Å²	97	122 Å²	122	50%	0.497	67%	0.667	S	S	.	*	H	α-helix	trans	-70.2	-36.5	178.8	-65.6	173	0	0	0	111	S28 V29 Q35	S28-I31 PolarHBondContact O-N 3.31Å; V29-I31 VanDerWaalsContact C-N 3.3Å; V29-I31 PolarHBondContact O-N 3.05Å; I31-Q35 WeakPolarHBondContact O-CG 3.33Å; I31-Q35 PolarHBondContact O-N 2.96Å
32	S	42.1	Very low	42.4	Very low	77 Å²	77	121 Å²	121	54%	0.538	65%	0.652	S	S	.	*	H	α-helix	trans	-66.4	-38.3	-179.2	-62.6	0	0	0	0	113.5	S28 V29	S28-S32 PolarHBondContact O-N 3.24Å; S28-S32 PolarHBondContact O-OG 2.77Å; V29-S32 PolarHBondContact O-N 2.8Å
33	V	43.4	Very low	42.6	Very low	101 Å²	101	118.4 Å²	118.4	61%	0.612	63%	0.631	S	S	*	*	H	α-helix	trans	-70	-43.4	179.6	-178.8	0	0	0	0	111.1	Q35 L36	V33-Q35 PolarHBondContact O-N 3.15Å; V33-L36 PolarHBondContact O-N 3.27Å
34	L	41.4	Very low	43	Very low	133 Å²	133	123 Å²	123	70%	0.696	64%	0.638	S	S	*	*	H	α-helix	trans	-67.1	-22.3	-177.4	-140.5	79.8	0	0	0	113.5	L36	L34-L36 VanDerWaalsContact C-N 3.32Å; L34-L36 PolarHBondContact O-N 3.08Å
35	Q	44	Very low	43.6	Very low	89 Å²	89	120.4 Å²	120.4	42%	0.416	62%	0.623	S	S	.	*	G	3₁₀ helix	trans	-71.5	-21	-179.7	-80.4	-174.7	28.9	0	0	114.3	I31 V33 L37 R43	I31-Q35 WeakPolarHBondContact O-CG 3.33Å; I31-Q35 PolarHBondContact O-N 2.96Å; V33-Q35 PolarHBondContact O-N 3.15Å; Q35-L37 VanDerWaalsContact C-N 3.35Å; Q35-L37 PolarHBondContact O-N 2.85Å; Q35-R43 PolarHBondContact O-NE 2.86Å; Q35-R43 PolarHBondContact O-NH2 3.43Å
36	L	46.3	Very low	44.2	Very low	142 Å²	142	115.2 Å²	115.2	74%	0.743	61%	0.608	S	S	*	*	G	3₁₀ helix	trans	-80	-8.4	-172.4	-89.1	160.7	0	0	0	115.1	V33 L34	V33-L36 PolarHBondContact O-N 3.27Å; L34-L36 VanDerWaalsContact C-N 3.32Å; L34-L36 PolarHBondContact O-N 3.08Å
37	L	48.8	Very low	44.9	Very low	160 Å²	160	117.7 Å²	117.7	84%	0.838	61%	0.606	S	S	*	*	G	3₁₀ helix	trans	-114.5	13.7	-173.5	-69.4	173.5	0	0	0	115.2	Q35	Q35-L37 VanDerWaalsContact C-N 3.35Å; Q35-L37 PolarHBondContact O-N 2.85Å
38	L	44.6	Very low	45.7	Very low	105 Å²	105	116.6 Å²	116.6	55%	0.55	60%	0.601	S	S	.	*	S	Bend	trans	-124.8	138.6	-179.8	-70.7	174.8	0	0	0	113.1
39	P	44.7	Very low	46.5	Very low	88 Å²	88	118.6 Å²	118.6	57%	0.571	60%	0.603	S	S	*	*			trans	-58.1	149.2	-179.8	-25.5	34.5	0	0	0	113.8	N41 Y42	P39-N41 PolarHBondContact O-N 3.48Å; P39-N41 VanDerWaalsContact O-N 3.09Å; P39-Y42 PolarHBondContact O-N 2.95Å
40	V	53.5	Low	47.3	Very low	122 Å²	122	117.9 Å²	117.9	74%	0.739	60%	0.599	S	S	*	*	H	α-helix	trans	-52.2	-39.2	-173.7	180	0	0	0	0	113	Y42 R43	V40-Y42 VanDerWaalsContact C-N 3.28Å; V40-Y42 PolarHBondContact O-N 2.73Å; V40-R43 PolarHBondContact O-N 3.09Å
41	N	46.1	Very low	48.2	Very low	141 Å²	141	115.2 Å²	115.2	75%	0.754	59%	0.593	S	S	*	*	H	α-helix	trans	-61.3	-30.5	178.3	-75.1	-9.3	0	0	0	113.8	P39	P39-N41 PolarHBondContact O-N 3.48Å; P39-N41 VanDerWaalsContact O-N 3.09Å
42	Y	47.8	Very low	49.1	Very low	141 Å²	141	114.5 Å²	114.5	55%	0.553	59%	0.589	S	S	*	*	H	α-helix	trans	-74.8	-29.8	179.3	-98.7	-87.8	0	0	0	113.2	P39 V40 H44 M45 A46	P39-Y42 PolarHBondContact O-N 2.95Å; V40-Y42 VanDerWaalsContact C-N 3.28Å; V40-Y42 PolarHBondContact O-N 2.73Å; Y42-H44 VanDerWaalsContact C-N 3.33Å; Y42-H44 PolarHBondContact O-N 2.75Å; Y42-M45 HydrophobicContact CE1-CE 4.45Å; Y42-M45 PolarHBondContact O-N 2.84Å; Y42-A46 WeakPolarHBondContact O-CB 3.25Å; Y42-A46 PolarHBondContact O-N 2.73Å
43	R	47.8	Very low	50.5	Low	109 Å²	109	116.7 Å²	116.7	41%	0.411	59%	0.589	S	S	.	*	H	α-helix	trans	-61.7	-39	178.4	-69.6	-168	179.4	-163.3	9.5	112.2	Q35 V40 M47	Q35-R43 PolarHBondContact O-NE 2.86Å; Q35-R43 PolarHBondContact O-NH2 3.43Å; V40-R43 PolarHBondContact O-N 3.09Å; R43-M47 PolarHBondContact O-N 2.95Å
44	H	48.9	Very low	51.9	Low	149 Å²	149	117 Å²	117	69%	0.69	59%	0.586	S	S	*	*	H	α-helix	trans	-71.3	-38.8	174.9	-92.7	-5.4	0	0	0	112.8	Y42 K48	Y42-H44 VanDerWaalsContact C-N 3.33Å; Y42-H44 PolarHBondContact O-N 2.75Å; H44-K48 WeakPolarHBondContact O-CB 3.2Å; H44-K48 PolarHBondContact O-N 2.76Å; H44-K48 VanDerWaalsContact O-N 3.07Å
45	M	48.2	Very low	53.6	Low	118 Å²	118	117.9 Å²	117.9	58%	0.581	58%	0.58	S	S	*	*	H	α-helix	trans	-66.2	-46.6	178.6	-124.5	172.5	72.8	0	0	112.1	Y42 M47 K48 E49	Y42-M45 HydrophobicContact CE1-CE 4.45Å; Y42-M45 PolarHBondContact O-N 2.84Å; M45-M47 PolarHBondContact O-N 2.96Å; M45-K48 PolarHBondContact O-N 3.07Å; M45-K48 VanDerWaalsContact O-N 3.14Å; M45-E49 PolarHBondContact O-N 3.12Å
46	A	48.1	Very low	55.2	Low	53 Å²	53	120 Å²	120	44%	0.438	59%	0.588	S	S	.	*	H	α-helix	trans	-64	-40	179.4	0	0	0	0	0	113.1	Y42 K48 T50	Y42-A46 WeakPolarHBondContact O-CB 3.25Å; Y42-A46 PolarHBondContact O-N 2.73Å; A46-K48 VanDerWaalsContact C-N 3.33Å; A46-T50 WeakPolarHBondContact O-CB 3.27Å; A46-T50 PolarHBondContact O-N 3.08Å; A46-T50 PolarHBondContact O-OG1 3.09Å
47	M	50	Low	56.8	Low	111 Å²	111	120 Å²	120	55%	0.547	58%	0.582	S	S	.	*	H	α-helix	trans	-67.1	-33.6	173.1	-76.4	-153.1	-66.1	0	0	112.7	R43 M45 K51	R43-M47 PolarHBondContact O-N 2.95Å; M45-M47 PolarHBondContact O-N 2.96Å; M47-K51 WeakPolarHBondContact O-CB 3.48Å; M47-K51 WeakPolarHBondContact O-CG 3.47Å; M47-K51 PolarHBondContact O-N 3.35Å
48	K	52	Low	58.6	Low	151 Å²	151	118.3 Å²	118.3	66%	0.657	57%	0.568	S	S	*	*	H	α-helix	trans	-69.7	-45	177.5	-158.9	173.4	-173	179.6	0	111	H44 M45 A46 K51 I52	H44-K48 WeakPolarHBondContact O-CB 3.2Å; H44-K48 PolarHBondContact O-N 2.76Å; H44-K48 VanDerWaalsContact O-N 3.07Å; M45-K48 PolarHBondContact O-N 3.07Å; M45-K48 VanDerWaalsContact O-N 3.14Å; A46-K48 VanDerWaalsContact C-N 3.33Å; K48-K51 PolarHBondContact O-N 3.46Å; K48-I52 HydrophobicContact CG-CD1 4.31Å; K48-I52 WeakPolarHBondContact O-CB 3.18Å; K48-I52 WeakPolarHBondContact O-CD1 3.42Å; K48-I52 VanDerWaalsContact O-CG1 3.23Å; K48-I52 WeakPolarHBondContact O-CG1 3.29Å; K48-I52 PolarHBondContact O-N 2.7Å
49	E	55.6	Low	60.6	Low	106 Å²	106	118.2 Å²	118.2	50%	0.495	56%	0.564	S	S	.	*	H	α-helix	trans	-55.2	-49.8	170	-85.7	-126.5	141.8	0	0	112.5	M45 K51 I52 K53	M45-E49 PolarHBondContact O-N 3.12Å; E49-K51 PolarHBondContact O-N 3Å; E49-I52 CarbonylContact O-C 3.56Å; E49-I52 WeakPolarHBondContact O-CB 3.11Å; E49-I52 PolarHBondContact O-N 3.3Å; E49-I52 VanDerWaalsContact O-N 3.12Å; E49-K53 WeakPolarHBondContact O-CG 3.15Å; E49-K53 PolarHBondContact O-N 3.45Å; E49-K53 IonicContact OE2-NZ 2.74Å; E49-K53 PolarHBondContact OE2-NZ 2.87Å
50	T	56.7	Low	62.7	Low	76 Å²	76	118.8 Å²	118.8	47%	0.466	57%	0.565	S	S	.	*	H	α-helix	trans	-65.3	-41	-176.4	-56.6	0	0	0	0	110.9	A46 I52 K53 I54	A46-T50 WeakPolarHBondContact O-CB 3.27Å; A46-T50 PolarHBondContact O-N 3.08Å; A46-T50 PolarHBondContact O-OG1 3.09Å; T50-I52 PolarHBondContact O-N 3.36Å; T50-K53 PolarHBondContact O-N 2.88Å; T50-I54 HydrophobicContact CG2-CD1 3.98Å; T50-I54 WeakPolarHBondContact O-CB 3.42Å; T50-I54 VanDerWaalsContact O-CG1 3.29Å; T50-I54 WeakPolarHBondContact O-CG1 3.47Å; T50-I54 PolarHBondContact O-N 2.92Å
51	K	56.8	Low	64.4	Low	150 Å²	150	117 Å²	117	65%	0.652	55%	0.551	S	S	*	*	H	α-helix	trans	-61.6	-39.3	170.9	-77.4	-178.8	175.5	-173.9	0	112.6	M47 K48 E49 W55	M47-K51 WeakPolarHBondContact O-CB 3.48Å; M47-K51 WeakPolarHBondContact O-CG 3.47Å; M47-K51 PolarHBondContact O-N 3.35Å; K48-K51 PolarHBondContact O-N 3.46Å; E49-K51 PolarHBondContact O-N 3Å; K51-W55 VanDerWaalsContact O-CB 3.28Å; K51-W55 WeakPolarHBondContact O-CB 3.4Å; K51-W55 PolarHBondContact O-N 3.23Å
52	I	65.2	Low	66.5	Low	82 Å²	82	113 Å²	113	42%	0.421	53%	0.531	S	S	.	.	H	α-helix	trans	-66.3	-40.6	175.5	-70.8	163	0	0	0	111.4	K48 E49 T50 W55 K56	K48-I52 HydrophobicContact CG-CD1 4.31Å; K48-I52 WeakPolarHBondContact O-CB 3.18Å; K48-I52 WeakPolarHBondContact O-CD1 3.42Å; K48-I52 VanDerWaalsContact O-CG1 3.23Å; K48-I52 WeakPolarHBondContact O-CG1 3.29Å; K48-I52 PolarHBondContact O-N 2.7Å; E49-I52 CarbonylContact O-C 3.56Å; E49-I52 WeakPolarHBondContact O-CB 3.11Å; E49-I52 PolarHBondContact O-N 3.3Å; E49-I52 VanDerWaalsContact O-N 3.12Å; T50-I52 PolarHBondContact O-N 3.36Å; I52-W55 PolarHBondContact O-N 3.28Å; I52-K56 HydrophobicContact CG2-CD 4.35Å; I52-K56 WeakPolarHBondContact O-CB 3.26Å; I52-K56 WeakPolarHBondContact O-CG 3.49Å; I52-K56 PolarHBondContact O-N 3.38Å
53	K	70.7	Confident	68.5	Low	123 Å²	123	109.3 Å²	109.3	54%	0.535	53%	0.526	S	S	.	.	H	α-helix	trans	-64.4	-46.3	175.8	-75.1	164.2	175	161.4	0	111.2	E49 T50 W55 K56 F57	E49-K53 WeakPolarHBondContact O-CG 3.15Å; E49-K53 PolarHBondContact O-N 3.45Å; E49-K53 IonicContact OE2-NZ 2.74Å; E49-K53 PolarHBondContact OE2-NZ 2.87Å; T50-K53 PolarHBondContact O-N 2.88Å; K53-W55 PolarHBondContact O-N 2.79Å; K53-K56 PolarHBondContact O-N 3.26Å; K53-F57 WeakPolarHBondContact O-CB 3.24Å; K53-F57 PolarHBondContact O-N 3.4Å
54	I	73.8	Confident	70.5	Confident	107 Å²	107	107.2 Å²	107.2	55%	0.549	53%	0.528	S	S	.	.	H	α-helix	trans	-60.7	-43.9	174.1	-68.5	165.3	0	0	0	111.4	T50 F57 F58	T50-I54 HydrophobicContact CG2-CD1 3.98Å; T50-I54 WeakPolarHBondContact O-CB 3.42Å; T50-I54 VanDerWaalsContact O-CG1 3.29Å; T50-I54 WeakPolarHBondContact O-CG1 3.47Å; T50-I54 PolarHBondContact O-N 2.92Å; I54-F57 PolarHBondContact O-N 3.39Å; I54-F58 WeakPolarHBondContact O-CB 3.4Å; I54-F58 PolarHBondContact O-N 3.12Å
55	W	75.9	Confident	72.6	Confident	153 Å²	153	105.6 Å²	105.6	58%	0.58	52%	0.524	S	S	*	.	H	α-helix	trans	-68.8	-35.3	179.4	-171.1	73.9	0	0	0	112.9	K51 I52 K53 K59	K51-W55 VanDerWaalsContact O-CB 3.28Å; K51-W55 WeakPolarHBondContact O-CB 3.4Å; K51-W55 PolarHBondContact O-N 3.23Å; I52-W55 PolarHBondContact O-N 3.28Å; K53-W55 PolarHBondContact O-N 2.79Å; W55-K59 HydrophobicContact CD2-CD 4.31Å; W55-K59 HydrophobicContact CE3-CD 4.15Å; W55-K59 HydrophobicContact CH2-CD 4.26Å; W55-K59 VanDerWaalsContact CH2-CE 3.48Å; W55-K59 HydrophobicContact CZ2-CD 4.34Å; W55-K59 VanDerWaalsContact CZ2-CE 3.44Å; W55-K59 HydrophobicContact CZ3-CD 4.12Å; W55-K59 WeakPolarHBondContact O-CB 3.38Å; W55-K59 WeakPolarHBondContact O-CG 3.49Å; W55-K59 PolarHBondContact O-N 3.49Å
56	K	78.1	Confident	74.7	Confident	133 Å²	133	105.3 Å²	105.3	58%	0.578	52%	0.524	S	S	*	.	H	α-helix	trans	-63.9	-44.5	169.9	-77.3	-179.3	176.3	-173	0	111.5	I52 K53 K59 V60	I52-K56 HydrophobicContact CG2-CD 4.35Å; I52-K56 WeakPolarHBondContact O-CB 3.26Å; I52-K56 WeakPolarHBondContact O-CG 3.49Å; I52-K56 PolarHBondContact O-N 3.38Å; K53-K56 PolarHBondContact O-N 3.26Å; K56-K59 WeakPolarHBondContact O-CB 3.32Å; K56-K59 PolarHBondContact O-N 3.42Å; K56-V60 WeakPolarHBondContact O-CG2 3.42Å; K56-V60 PolarHBondContact O-N 2.92Å
57	F	80.4	Confident	76.8	Confident	142 Å²	142	108 Å²	108	62%	0.623	53%	0.53	S	S	*	.	H	α-helix	trans	-62.9	-46.5	177	-177.2	-110	0	0	0	112	K53 I54 K59 V60 I61	K53-F57 WeakPolarHBondContact O-CB 3.24Å; K53-F57 PolarHBondContact O-N 3.4Å; I54-F57 PolarHBondContact O-N 3.39Å; F57-K59 VanDerWaalsContact C-N 3.33Å; F57-K59 PolarHBondContact O-N 3.47Å; F57-V60 PolarHBondContact O-N 3.22Å; F57-V60 VanDerWaalsContact O-N 3.14Å; F57-I61 HydrophobicContact CD1-CD1 3.88Å; F57-I61 HydrophobicContact CE1-CD1 3.49Å; F57-I61 VanDerWaalsContact CE1-CD1 3.49Å; F57-I61 HydrophobicContact CE2-CD1 4.5Å; F57-I61 HydrophobicContact CZ-CD1 3.84Å; F57-I61 PolarHBondContact O-N 2.89Å
58	F	86.8	Confident	78.8	Confident	125 Å²	125	106 Å²	106	55%	0.548	52%	0.524	S	S	.	.	H	α-helix	trans	-60.3	-40.7	174.1	-174	-99.6	0	0	0	112.1	I54 I61 V62	I54-F58 WeakPolarHBondContact O-CB 3.4Å; I54-F58 PolarHBondContact O-N 3.12Å; F58-I61 PolarHBondContact O-N 3.06Å; F58-V62 HydrophobicContact CD1-CG2 4.06Å; F58-V62 HydrophobicContact CE1-CG2 3.67Å; F58-V62 HydrophobicContact CE2-CG2 4.37Å; F58-V62 HydrophobicContact CZ-CG2 3.84Å; F58-V62 WeakPolarHBondContact O-CG2 3.45Å; F58-V62 PolarHBondContact O-N 2.87Å
59	K	85.6	Confident	80.6	Confident	103 Å²	103	102.6 Å²	102.6	45%	0.448	52%	0.516	S	S	.	.	H	α-helix	trans	-60.1	-44	171.9	-86.7	-173.4	162.3	-171	0	112.8	W55 K56 F57 I61 V62 S63	W55-K59 HydrophobicContact CD2-CD 4.31Å; W55-K59 HydrophobicContact CE3-CD 4.15Å; W55-K59 HydrophobicContact CH2-CD 4.26Å; W55-K59 VanDerWaalsContact CH2-CE 3.48Å; W55-K59 HydrophobicContact CZ2-CD 4.34Å; W55-K59 VanDerWaalsContact CZ2-CE 3.44Å; W55-K59 HydrophobicContact CZ3-CD 4.12Å; W55-K59 WeakPolarHBondContact O-CB 3.38Å; W55-K59 WeakPolarHBondContact O-CG 3.49Å; W55-K59 PolarHBondContact O-N 3.49Å; K56-K59 WeakPolarHBondContact O-CB 3.32Å; K56-K59 PolarHBondContact O-N 3.42Å; F57-K59 VanDerWaalsContact C-N 3.33Å; F57-K59 PolarHBondContact O-N 3.47Å; K59-I61 VanDerWaalsContact C-N 3.33Å; K59-I61 PolarHBondContact O-N 2.72Å; K59-V62 PolarHBondContact O-N 3.42Å; K59-S63 WeakPolarHBondContact O-CB 3.17Å; K59-S63 PolarHBondContact O-N 2.82Å; K59-S63 PolarHBondContact O-OG 3.05Å
60	V	88.6	Confident	82.4	Confident	100 Å²	100	102.8 Å²	102.8	61%	0.606	52%	0.52	S	S	*	.	H	α-helix	trans	-61.8	-41.9	176.5	170.5	0	0	0	0	111	K56 F57 S64	K56-V60 WeakPolarHBondContact O-CG2 3.42Å; K56-V60 PolarHBondContact O-N 2.92Å; F57-V60 PolarHBondContact O-N 3.22Å; F57-V60 VanDerWaalsContact O-N 3.14Å; V60-S64 VanDerWaalsContact O-CB 3.24Å; V60-S64 WeakPolarHBondContact O-CB 3.36Å; V60-S64 PolarHBondContact O-N 2.79Å
61	I	90.1	Very high	84.1	Confident	84 Å²	84	103.6 Å²	103.6	43%	0.431	52%	0.524	S	S	.	.	H	α-helix	trans	-61.8	-49.8	174.7	-68.9	170.4	0	0	0	111.3	F57 F58 K59 S64 L65	F57-I61 HydrophobicContact CD1-CD1 3.88Å; F57-I61 HydrophobicContact CE1-CD1 3.49Å; F57-I61 VanDerWaalsContact CE1-CD1 3.49Å; F57-I61 HydrophobicContact CE2-CD1 4.5Å; F57-I61 HydrophobicContact CZ-CD1 3.84Å; F57-I61 PolarHBondContact O-N 2.89Å; F58-I61 PolarHBondContact O-N 3.06Å; K59-I61 VanDerWaalsContact C-N 3.33Å; K59-I61 PolarHBondContact O-N 2.72Å; I61-S64 PolarHBondContact O-N 2.91Å; I61-L65 WeakPolarHBondContact O-CB 3.45Å; I61-L65 PolarHBondContact O-N 2.95Å
62	V	90.4	Very high	85.7	Confident	56 Å²	56	99.5 Å²	99.5	34%	0.339	51%	0.51	S	S	.	.	H	α-helix	trans	-64.5	-42.3	-179.4	171.4	0	0	0	0	111.7	F58 K59 L65 L66	F58-V62 HydrophobicContact CD1-CG2 4.06Å; F58-V62 HydrophobicContact CE1-CG2 3.67Å; F58-V62 HydrophobicContact CE2-CG2 4.37Å; F58-V62 HydrophobicContact CZ-CG2 3.84Å; F58-V62 WeakPolarHBondContact O-CG2 3.45Å; F58-V62 PolarHBondContact O-N 2.87Å; K59-V62 PolarHBondContact O-N 3.42Å; V62-L65 PolarHBondContact O-N 2.71Å; V62-L66 HydrophobicContact CG1-CD1 3.96Å; V62-L66 WeakPolarHBondContact O-CB 3.5Å; V62-L66 VanDerWaalsContact O-CG 3.28Å; V62-L66 WeakPolarHBondContact O-CG 3.48Å; V62-L66 PolarHBondContact O-N 2.89Å
63	S	88.1	Confident	87	Confident	64 Å²	64	101.3 Å²	101.3	45%	0.448	51%	0.514	S	S	.	.	H	α-helix	trans	-64.8	-41.1	174.5	-70.6	0	0	0	0	112.1	K59 L66 I67	K59-S63 WeakPolarHBondContact O-CB 3.17Å; K59-S63 PolarHBondContact O-N 2.82Å; K59-S63 PolarHBondContact O-OG 3.05Å; S63-L66 PolarHBondContact O-N 3.13Å; S63-I67 WeakPolarHBondContact O-CB 3.33Å; S63-I67 WeakPolarHBondContact O-CD1 3.32Å; S63-I67 VanDerWaalsContact O-CG1 3.24Å; S63-I67 WeakPolarHBondContact O-CG1 3.37Å; S63-I67 PolarHBondContact O-N 3.33Å
64	S	90.6	Very high	88	Confident	65 Å²	65	98.6 Å²	98.6	46%	0.455	51%	0.508	S	S	.	.	H	α-helix	trans	-62.3	-45.9	174.4	-170.3	0	0	0	0	111.1	V60 I61 L66 I67 T68	V60-S64 VanDerWaalsContact O-CB 3.24Å; V60-S64 WeakPolarHBondContact O-CB 3.36Å; V60-S64 PolarHBondContact O-N 2.79Å; I61-S64 PolarHBondContact O-N 2.91Å; S64-L66 VanDerWaalsContact C-N 3.33Å; S64-L66 PolarHBondContact O-N 3.02Å; S64-I67 PolarHBondContact O-N 3.06Å; S64-T68 WeakPolarHBondContact O-CB 3.47Å; S64-T68 PolarHBondContact O-N 3.46Å; S64-T68 PolarHBondContact O-OG1 3.43Å
65	L	92.1	Very high	88.8	Confident	115 Å²	115	95.9 Å²	95.9	60%	0.602	50%	0.502	S	S	*	.	H	α-helix	trans	-60.7	-43.1	178.1	-171.6	72.1	0	0	0	111.2	I61 V62 T68 T69	I61-L65 WeakPolarHBondContact O-CB 3.45Å; I61-L65 PolarHBondContact O-N 2.95Å; V62-L65 PolarHBondContact O-N 2.71Å; L65-T68 PolarHBondContact O-N 2.95Å; L65-T69 VanDerWaalsContact O-CB 3.3Å; L65-T69 WeakPolarHBondContact O-CB 3.28Å; L65-T69 PolarHBondContact O-N 3.45Å; L65-T69 PolarHBondContact O-OG1 3.43Å
66	L	92.2	Very high	89.5	Confident	113 Å²	113	88.7 Å²	88.7	59%	0.592	48%	0.475	S	S	*	.	H	α-helix	trans	-64	-43.6	176.6	-76.2	167	0	0	0	112.2	V62 S63 S64 T69 L70	V62-L66 HydrophobicContact CG1-CD1 3.96Å; V62-L66 WeakPolarHBondContact O-CB 3.5Å; V62-L66 VanDerWaalsContact O-CG 3.28Å; V62-L66 WeakPolarHBondContact O-CG 3.48Å; V62-L66 PolarHBondContact O-N 2.89Å; S63-L66 PolarHBondContact O-N 3.13Å; S64-L66 VanDerWaalsContact C-N 3.33Å; S64-L66 PolarHBondContact O-N 3.02Å; L66-T69 PolarHBondContact O-N 2.84Å; L66-L70 WeakPolarHBondContact O-CB 3.33Å; L66-L70 PolarHBondContact O-N 3.43Å
67	I	92.7	Very high	90	Very high	108 Å²	108	84.4 Å²	84.4	55%	0.554	46%	0.46	S	S	*	.	H	α-helix	trans	-63.8	-47.6	176.3	-69.4	163.5	0	0	0	110.4	S63 S64 T69 L70 V71	S63-I67 WeakPolarHBondContact O-CB 3.33Å; S63-I67 WeakPolarHBondContact O-CD1 3.32Å; S63-I67 VanDerWaalsContact O-CG1 3.24Å; S63-I67 WeakPolarHBondContact O-CG1 3.37Å; S63-I67 PolarHBondContact O-N 3.33Å; S64-I67 PolarHBondContact O-N 3.06Å; I67-T69 VanDerWaalsContact C-N 3.33Å; I67-T69 PolarHBondContact O-N 2.82Å; I67-L70 PolarHBondContact O-N 3.4Å; I67-V71 HydrophobicContact CG2-CG2 4.49Å; I67-V71 WeakPolarHBondContact O-CG2 3.22Å; I67-V71 PolarHBondContact O-N 3.07Å
68	T	91.5	Very high	90.4	Very high	71 Å²	71	82.5 Å²	82.5	44%	0.436	46%	0.455	S	S	.	.	H	α-helix	trans	-59.8	-43.8	175.8	-58.8	0	0	0	0	111.3	S64 L65 L70 V71 L72	S64-T68 WeakPolarHBondContact O-CB 3.47Å; S64-T68 PolarHBondContact O-N 3.46Å; S64-T68 PolarHBondContact O-OG1 3.43Å; L65-T68 PolarHBondContact O-N 2.95Å; T68-L70 VanDerWaalsContact C-N 3.35Å; T68-L70 PolarHBondContact O-N 2.9Å; T68-V71 PolarHBondContact O-N 3.03Å; T68-L72 HydrophobicContact CG2-CD1 3.82Å; T68-L72 HydrophobicContact CG2-CG 4.29Å; T68-L72 WeakPolarHBondContact O-CB 3.15Å; T68-L72 WeakPolarHBondContact O-CG 3.4Å; T68-L72 PolarHBondContact O-N 2.74Å
69	T	91.4	Very high	90.3	Very high	79 Å²	79	80.1 Å²	80.1	49%	0.485	44%	0.443	S	S	.	.	H	α-helix	trans	-62.9	-42.2	177.8	-57.3	0	0	0	0	111.4	L65 L66 I67 F73	L65-T69 VanDerWaalsContact O-CB 3.3Å; L65-T69 WeakPolarHBondContact O-CB 3.28Å; L65-T69 PolarHBondContact O-N 3.45Å; L65-T69 PolarHBondContact O-OG1 3.43Å; L66-T69 PolarHBondContact O-N 2.84Å; I67-T69 VanDerWaalsContact C-N 3.33Å; I67-T69 PolarHBondContact O-N 2.82Å; T69-F73 VanDerWaalsContact O-CB 3.24Å; T69-F73 WeakPolarHBondContact O-CB 3.48Å; T69-F73 PolarHBondContact O-N 3.2Å
70	L	92.8	Very high	90.4	Very high	110 Å²	110	75.6 Å²	75.6	58%	0.576	42%	0.423	S	S	*	.	H	α-helix	trans	-63.7	-46.5	176.5	-178.9	62.4	0	0	0	111.4	L66 I67 T68 F73 T74	L66-L70 WeakPolarHBondContact O-CB 3.33Å; L66-L70 PolarHBondContact O-N 3.43Å; I67-L70 PolarHBondContact O-N 3.4Å; T68-L70 VanDerWaalsContact C-N 3.35Å; T68-L70 PolarHBondContact O-N 2.9Å; L70-F73 PolarHBondContact O-N 3.45Å; L70-T74 WeakPolarHBondContact O-CB 3.34Å; L70-T74 PolarHBondContact O-N 3.42Å; L70-T74 PolarHBondContact O-OG1 2.73Å; L70-T74 VanDerWaalsContact O-OG1 3.12Å
71	V	92.3	Very high	90.2	Very high	92 Å²	92	77.6 Å²	77.6	56%	0.558	43%	0.43	S	S	*	.	H	α-helix	trans	-61.7	-46.2	177.8	170.2	0	0	0	0	111.3	I67 T68 F73 T74 A75	I67-V71 HydrophobicContact CG2-CG2 4.49Å; I67-V71 WeakPolarHBondContact O-CG2 3.22Å; I67-V71 PolarHBondContact O-N 3.07Å; T68-V71 PolarHBondContact O-N 3.03Å; V71-F73 VanDerWaalsContact C-N 3.35Å; V71-F73 PolarHBondContact O-N 3.38Å; V71-T74 PolarHBondContact O-N 3.32Å; V71-A75 WeakPolarHBondContact O-CB 3.05Å; V71-A75 PolarHBondContact O-N 2.83Å
72	L	91.2	Very high	89.7	Confident	65 Å²	65	77.6 Å²	77.6	34%	0.34	44%	0.437	S	S	.	.	H	α-helix	trans	-62.5	-41.2	176.4	-66.7	169.6	0	0	0	111.5	T68 A76 W377	T68-L72 HydrophobicContact CG2-CD1 3.82Å; T68-L72 HydrophobicContact CG2-CG 4.29Å; T68-L72 WeakPolarHBondContact O-CB 3.15Å; T68-L72 WeakPolarHBondContact O-CG 3.4Å; T68-L72 PolarHBondContact O-N 2.74Å; L72-A76 WeakPolarHBondContact O-CB 3.44Å; L72-A76 PolarHBondContact O-N 3.38Å; L72-W377 HydrophobicContact CD2-CH2 3.7Å; L72-W377 HydrophobicContact CD2-CZ3 3.96Å
73	F	92.7	Very high	88.8	Confident	119 Å²	119	76.8 Å²	76.8	52%	0.522	43%	0.431	S	S	.	.	H	α-helix	trans	-67.8	-41.4	177.1	-177.1	-94.9	0	0	0	112.4	T69 L70 V71 A76 T77 F371	T69-F73 VanDerWaalsContact O-CB 3.24Å; T69-F73 WeakPolarHBondContact O-CB 3.48Å; T69-F73 PolarHBondContact O-N 3.2Å; L70-F73 PolarHBondContact O-N 3.45Å; V71-F73 VanDerWaalsContact C-N 3.35Å; V71-F73 PolarHBondContact O-N 3.38Å; F73-A76 PolarHBondContact O-N 3.29Å; F73-T77 WeakPolarHBondContact CE1-OG1 3.47Å; F73-T77 VanDerWaalsContact O-CB 3.28Å; F73-T77 WeakPolarHBondContact O-CB 3.49Å; F73-T77 PolarHBondContact O-N 3.43Å; F73-T77 PolarHBondContact O-OG1 3.46Å; F73-F371 HydrophobicContact CD2-CE2 4.49Å; F73-F371 AromaticContact CD2-CZ 3.88Å; F73-F371 HydrophobicContact CD2-CZ 3.88Å; F73-F371 HydrophobicContact CE2-CE2 4.21Å; F73-F371 AromaticContact CE2-CZ 3.86Å; F73-F371 HydrophobicContact CE2-CZ 3.86Å
74	T	90.5	Very high	87.6	Confident	67 Å²	67	78.2 Å²	78.2	41%	0.411	43%	0.434	S	S	.	.	H	α-helix	trans	-63.4	-48.3	174.8	-67.1	0	0	0	0	110.9	L70 V71 A76 T77 I78	L70-T74 WeakPolarHBondContact O-CB 3.34Å; L70-T74 PolarHBondContact O-N 3.42Å; L70-T74 PolarHBondContact O-OG1 2.73Å; L70-T74 VanDerWaalsContact O-OG1 3.12Å; V71-T74 PolarHBondContact O-N 3.32Å; T74-A76 PolarHBondContact O-N 3.37Å; T74-T77 PolarHBondContact O-N 2.81Å; T74-I78 HydrophobicContact CG2-CD1 3.82Å; T74-I78 HydrophobicContact CG2-CG1 4.48Å; T74-I78 VanDerWaalsContact O-CG1 3.32Å; T74-I78 WeakPolarHBondContact O-CG1 3.21Å; T74-I78 PolarHBondContact O-N 3.12Å
75	A	90.4	Very high	86.3	Confident	50 Å²	50	76.9 Å²	76.9	41%	0.413	42%	0.423	S	S	.	.	H	α-helix	trans	-60	-45.5	176.1	0	0	0	0	0	111.9	V71 T77 I78 R79	V71-A75 WeakPolarHBondContact O-CB 3.05Å; V71-A75 PolarHBondContact O-N 2.83Å; A75-T77 VanDerWaalsContact C-N 3.33Å; A75-T77 PolarHBondContact O-N 2.81Å; A75-I78 PolarHBondContact O-N 3.25Å; A75-R79 WeakPolarHBondContact O-CB 3.37Å; A75-R79 PolarHBondContact O-N 3.49Å
76	A	90.7	Very high	84.5	Confident	1 Å²	1	72.7 Å²	72.7	1%	0.008	40%	0.401	C	S	.	.	H	α-helix	trans	-63.1	-37	176.1	0	0	0	0	0	112.7	L72 F73 T74 T80 F371 N375 W377	L72-A76 WeakPolarHBondContact O-CB 3.44Å; L72-A76 PolarHBondContact O-N 3.38Å; F73-A76 PolarHBondContact O-N 3.29Å; T74-A76 PolarHBondContact O-N 3.37Å; A76-T80 WeakPolarHBondContact O-CB 3.26Å; A76-T80 PolarHBondContact O-N 3.02Å; A76-T80 PolarHBondContact O-OG1 2.98Å; A76-F371 HydrophobicContact CB-CE2 3.81Å; A76-F371 HydrophobicContact CB-CZ 3.62Å; A76-N375 WeakPolarHBondContact CA-OD1 3.37Å; A76-N375 HydrophobicContact CB-CB 4.43Å; A76-N375 PolarHBondContact O-ND2 3.02Å; A76-W377 HydrophobicContact CB-CZ2 4.38Å
77	T	89.4	Confident	82.7	Confident	43 Å²	43	69.6 Å²	69.6	26%	0.264	39%	0.387	S	S	.	.	H	α-helix	trans	-68.8	-46.9	176.9	-58.9	0	0	0	0	111.1	F73 T74 A75 R79 T80 L81	F73-T77 WeakPolarHBondContact CE1-OG1 3.47Å; F73-T77 VanDerWaalsContact O-CB 3.28Å; F73-T77 WeakPolarHBondContact O-CB 3.49Å; F73-T77 PolarHBondContact O-N 3.43Å; F73-T77 PolarHBondContact O-OG1 3.46Å; T74-T77 PolarHBondContact O-N 2.81Å; A75-T77 VanDerWaalsContact C-N 3.33Å; A75-T77 PolarHBondContact O-N 2.81Å; T77-R79 PolarHBondContact O-N 2.86Å; T77-T80 WeakPolarHBondContact O-CB 3.34Å; T77-T80 PolarHBondContact O-N 3.09Å; T77-L81 HydrophobicContact CG2-CD1 4.08Å; T77-L81 WeakPolarHBondContact O-CG 3.24Å; T77-L81 PolarHBondContact O-N 3.17Å; T77-L81 VanDerWaalsContact O-N 3.08Å
78	I	88.2	Confident	80.8	Confident	103 Å²	103	65.9 Å²	65.9	53%	0.528	38%	0.375	S	S	.	.	H	α-helix	trans	-56.2	-53.2	175	-69	166	0	0	0	109.4	T74 A75 T80 L81 S82	T74-I78 HydrophobicContact CG2-CD1 3.82Å; T74-I78 HydrophobicContact CG2-CG1 4.48Å; T74-I78 VanDerWaalsContact O-CG1 3.32Å; T74-I78 WeakPolarHBondContact O-CG1 3.21Å; T74-I78 PolarHBondContact O-N 3.12Å; A75-I78 PolarHBondContact O-N 3.25Å; I78-T80 VanDerWaalsContact C-N 3.27Å; I78-T80 PolarHBondContact O-N 2.84Å; I78-L81 CarbonylContact O-C 3.57Å; I78-L81 PolarHBondContact O-N 3.48Å; I78-S82 PolarHBondContact O-N 3.03Å; I78-S82 PolarHBondContact O-OG 3.28Å; I78-S82 VanDerWaalsContact O-OG 3.11Å
79	R	85.5	Confident	79.1	Confident	75 Å²	75	63.8 Å²	63.8	28%	0.283	36%	0.361	S	S	.	.	H	α-helix	trans	-59.2	-33.6	178.1	179.6	167.7	157.3	139.6	7.3	113.3	A75 T77 L81 L83 E359 S374	A75-R79 WeakPolarHBondContact O-CB 3.37Å; A75-R79 PolarHBondContact O-N 3.49Å; T77-R79 PolarHBondContact O-N 2.86Å; R79-L81 VanDerWaalsContact C-N 3.32Å; R79-L83 HydrophobicContact CG-CD1 3.78Å; R79-L83 HydrophobicContact CG-CG 4.27Å; R79-L83 VanDerWaalsContact O-CB 3.28Å; R79-L83 WeakPolarHBondContact O-CB 3.45Å; R79-L83 WeakPolarHBondContact O-CD1 3.35Å; R79-L83 WeakPolarHBondContact O-CG 3.48Å; R79-L83 PolarHBondContact O-N 2.88Å; R79-L83 VanDerWaalsContact O-N 3.14Å; R79-E359 IonicContact CZ-OE2 3.77Å; R79-E359 IonicContact NH2-OE1 2.83Å; R79-E359 IonicContact NH2-OE2 2.7Å; R79-E359 PolarHBondContact NH2-OE2 3.37Å; R79-S374 PolarHBondContact NE-O 2.9Å; R79-S374 PolarHBondContact NH2-O 2.83Å; R79-S374 VanDerWaalsContact NH2-O 3.09Å
80	T	87.1	Confident	77.4	Confident	7 Å²	7	67.5 Å²	67.5	4%	0.043	37%	0.373	C	S	.	.	H	α-helix	trans	-69.6	-28.2	174.9	-55.7	0	0	0	0	112.9	A76 T77 I78 K370 F371 N375	A76-T80 WeakPolarHBondContact O-CB 3.26Å; A76-T80 PolarHBondContact O-N 3.02Å; A76-T80 PolarHBondContact O-OG1 2.98Å; T77-T80 WeakPolarHBondContact O-CB 3.34Å; T77-T80 PolarHBondContact O-N 3.09Å; I78-T80 VanDerWaalsContact C-N 3.27Å; I78-T80 PolarHBondContact O-N 2.84Å; T80-K370 HydrophobicContact CG2-CD 4.5Å; T80-K370 HydrophobicContact CG2-CG 3.82Å; T80-K370 WeakPolarHBondContact O-CE 3.39Å; T80-F371 HydrophobicContact CG2-CB 4.18Å; T80-F371 HydrophobicContact CG2-CD2 4.25Å; T80-F371 VanDerWaalsContact OG1-CD2 3.29Å; T80-F371 WeakPolarHBondContact OG1-CD2 3.36Å; T80-N375 PolarHBondContact OG1-ND2 3.01Å
81	L	85.1	Confident	75.5	Confident	142 Å²	142	66.9 Å²	66.9	74%	0.743	37%	0.369	S	S	*	.	H	α-helix	trans	-92.6	-27.2	-179.7	-65.5	173.3	0	0	0	112.9	T77 I78 R79	T77-L81 HydrophobicContact CG2-CD1 4.08Å; T77-L81 WeakPolarHBondContact O-CG 3.24Å; T77-L81 PolarHBondContact O-N 3.17Å; T77-L81 VanDerWaalsContact O-N 3.08Å; I78-L81 CarbonylContact O-C 3.57Å; I78-L81 PolarHBondContact O-N 3.48Å; R79-L81 VanDerWaalsContact C-N 3.32Å
82	S	79.6	Confident	74.2	Confident	84 Å²	84	63.5 Å²	63.5	59%	0.587	35%	0.351	S	S	*	.	H	α-helix	trans	-93.6	-13.5	178.8	63.4	0	0	0	0	115	I78 D84	I78-S82 PolarHBondContact O-N 3.03Å; I78-S82 PolarHBondContact O-OG 3.28Å; I78-S82 VanDerWaalsContact O-OG 3.11Å; S82-D84 PolarHBondContact O-N 2.86Å
83	L	70.1	Confident	73.3	Confident	40 Å²	40	68.1 Å²	68.1	21%	0.209	37%	0.371	C	S	.	.			trans	-71.1	94.2	173.9	-92	167.3	0	0	0	111.9	R79 V85	R79-L83 HydrophobicContact CG-CD1 3.78Å; R79-L83 HydrophobicContact CG-CG 4.27Å; R79-L83 VanDerWaalsContact O-CB 3.28Å; R79-L83 WeakPolarHBondContact O-CB 3.45Å; R79-L83 WeakPolarHBondContact O-CD1 3.35Å; R79-L83 WeakPolarHBondContact O-CG 3.48Å; R79-L83 PolarHBondContact O-N 2.88Å; R79-L83 VanDerWaalsContact O-N 3.14Å; L83-V85 HydrophobicContact CD2-CG2 3.97Å
84	D	64.6	Low	72.7	Confident	94 Å²	94	64.9 Å²	64.9	50%	0.503	36%	0.355	S	S	.	.			trans	-122	117.1	156.3	-170.3	-25.5	0	0	0	109	S82 N86 V87	S82-D84 PolarHBondContact O-N 2.86Å; D84-N86 PolarHBondContact OD1-N 3.25Å; D84-N86 VanDerWaalsContact OD1-N 3.12Å; D84-V87 HydrophobicContact CB-CG2 3.68Å; D84-V87 VanDerWaalsContact CG-CG2 3.45Å
85	V	61.8	Low	72.3	Confident	37 Å²	37	65 Å²	65	22%	0.224	35%	0.351	C	S	.	.	S	Bend	trans	-99	2.1	-166.4	-164.7	0	0	0	0	111.9	L83 H360	L83-V85 HydrophobicContact CD2-CG2 3.97Å; V85-H360 VanDerWaalsContact CG1-CD2 3.43Å; V85-H360 WeakPolarHBondContact CG1-CD2 3.47Å
86	N	55.1	Low	71.4	Confident	27 Å²	27	72.3 Å²	72.3	14%	0.144	37%	0.374	C	S	.	.	S	Bend	trans	-106.7	-13.4	-179.2	-69.2	-37.6	0	0	0	113.7	D84 G88 L89	D84-N86 PolarHBondContact OD1-N 3.25Å; D84-N86 VanDerWaalsContact OD1-N 3.12Å; N86-G88 PolarHBondContact O-N 3.47Å; N86-L89 PolarHBondContact O-N 2.79Å
87	V	53.6	Low	70.2	Confident	47 Å²	47	74.4 Å²	74.4	29%	0.285	39%	0.388	S	S	.	.	H	α-helix	trans	-58.2	-47.3	-171.3	-175.9	0	0	0	0	113.3	D84 L89 Q90 L91 I563	D84-V87 HydrophobicContact CB-CG2 3.68Å; D84-V87 VanDerWaalsContact CG-CG2 3.45Å; V87-L89 VanDerWaalsContact C-N 3.32Å; V87-L89 PolarHBondContact O-N 2.9Å; V87-Q90 PolarHBondContact O-N 3.3Å; V87-L91 HydrophobicContact CG1-CD1 3.82Å; V87-L91 PolarHBondContact O-N 3.11Å; V87-I563 HydrophobicContact CG1-CD1 4.36Å
88	G	52.4	Low	69.4	Low	30 Å²	30	82.5 Å²	82.5	31%	0.309	42%	0.419	S	S	.	.	H	α-helix	trans	-57.8	-41.8	-173.9	0	0	0	0	0	113.5	N86 L91 A92	N86-G88 PolarHBondContact O-N 3.47Å; G88-L91 PolarHBondContact O-N 2.91Å; G88-A92 WeakPolarHBondContact O-CB 3.4Å; G88-A92 PolarHBondContact O-N 2.95Å; G88-A92 VanDerWaalsContact O-N 3.11Å
89	L	57.4	Low	69.2	Low	27 Å²	27	81.1 Å²	81.1	14%	0.141	41%	0.413	C	S	.	.	H	α-helix	trans	-74.9	-29.1	-174.1	-146.8	155.9	0	0	0	112.6	N86 V87 L91 W94 K476 L480	N86-L89 PolarHBondContact O-N 2.79Å; V87-L89 VanDerWaalsContact C-N 3.32Å; V87-L89 PolarHBondContact O-N 2.9Å; L89-L91 VanDerWaalsContact C-N 3.34Å; L89-W94 HydrophobicContact CD2-CZ2 3.8Å; L89-W94 HydrophobicContact CG-CZ2 4.03Å; L89-K476 HydrophobicContact CD1-CB 4.46Å; L89-K476 HydrophobicContact CD1-CD 3.6Å; L89-K476 HydrophobicContact CD1-CG 3.67Å; L89-L480 HydrophobicContact CD1-CD1 4.24Å; L89-L480 HydrophobicContact CD2-CD1 4.25Å
90	Q	54.5	Low	69.5	Low	158 Å²	158	79.8 Å²	79.8	74%	0.738	41%	0.411	S	S	*	.	H	α-helix	trans	-73.8	-23	174.4	-66.9	-172.2	-5.6	0	0	113.3	V87	V87-Q90 PolarHBondContact O-N 3.3Å
91	L	53.6	Low	69.5	Low	96 Å²	96	84.1 Å²	84.1	50%	0.503	44%	0.442	S	S	.	.	H	α-helix	trans	-94.2	-17	177.8	-61.2	176	0	0	0	113	V87 G88 L89 H93 H560	V87-L91 HydrophobicContact CG1-CD1 3.82Å; V87-L91 PolarHBondContact O-N 3.11Å; G88-L91 PolarHBondContact O-N 2.91Å; L89-L91 VanDerWaalsContact C-N 3.34Å; L91-H93 PolarHBondContact O-ND1 3.21Å; L91-H93 VanDerWaalsContact O-ND1 3.1Å; L91-H560 PolarHBondContact O-NE2 2.76Å
92	A	63.9	Low	69.8	Low	21 Å²	21	78.9 Å²	78.9	17%	0.174	41%	0.414	C	S	.	.			trans	-66.8	130.1	-175.7	0	0	0	0	0	112.7	G88 W94 P557	G88-A92 WeakPolarHBondContact O-CB 3.4Å; G88-A92 PolarHBondContact O-N 2.95Å; G88-A92 VanDerWaalsContact O-N 3.11Å; A92-W94 VanDerWaalsContact O-CD1 3.25Å; A92-W94 PolarHBondContact O-N 3.34Å; A92-P557 HydrophobicContact CB-CB 3.91Å; A92-P557 HydrophobicContact CB-CG 3.91Å
93	H	72.5	Confident	70.3	Confident	162 Å²	162	80.1 Å²	80.1	75%	0.75	42%	0.418	S	S	*	.			trans	-88.2	88.2	-179.4	-77.8	51.1	0	0	0	110.9	L91	L91-H93 PolarHBondContact O-ND1 3.21Å; L91-H93 VanDerWaalsContact O-ND1 3.1Å
94	W	81.6	Confident	71.3	Confident	51 Å²	51	79.2 Å²	79.2	19%	0.193	41%	0.413	C	S	.	.			trans	-66.7	147.8	178.5	-65.5	87.8	0	0	0	113.5	L89 A92 K96 Q473 I474 K477 I553 L556 P557	L89-W94 HydrophobicContact CD2-CZ2 3.8Å; L89-W94 HydrophobicContact CG-CZ2 4.03Å; A92-W94 VanDerWaalsContact O-CD1 3.25Å; A92-W94 PolarHBondContact O-N 3.34Å; W94-K96 PolarHBondContact O-N 3.22Å; W94-Q473 HydrophobicContact CH2-CB 4.36Å; W94-I474 HydrophobicContact CZ3-CD1 4.12Å; W94-K477 HydrophobicContact CD2-CD 3.83Å; W94-K477 HydrophobicContact CE3-CD 3.74Å; W94-K477 HydrophobicContact CG-CD 4.48Å; W94-K477 HydrophobicContact CH2-CB 4.14Å; W94-K477 HydrophobicContact CH2-CD 4.1Å; W94-K477 HydrophobicContact CH2-CG 4.42Å; W94-K477 HydrophobicContact CZ2-CB 4.18Å; W94-K477 HydrophobicContact CZ2-CD 4.18Å; W94-K477 HydrophobicContact CZ2-CG 4.23Å; W94-K477 HydrophobicContact CZ3-CD 3.88Å; W94-I553 HydrophobicContact CE3-CD1 3.64Å; W94-I553 HydrophobicContact CZ3-CD1 3.54Å; W94-L556 HydrophobicContact CH2-CD2 4Å; W94-L556 HydrophobicContact CZ3-CD2 3.86Å; W94-P557 HydrophobicContact CD2-CG 3.56Å; W94-P557 HydrophobicContact CE3-CG 3.82Å; W94-P557 HydrophobicContact CG-CG 3.91Å; W94-P557 HydrophobicContact CH2-CG 4.45Å; W94-P557 HydrophobicContact CZ2-CG 4.22Å; W94-P557 HydrophobicContact CZ3-CG 4.27Å
95	E	81.3	Confident	72.6	Confident	71 Å²	71	78.2 Å²	78.2	33%	0.332	41%	0.408	S	S	.	.			trans	-59.9	127.4	173.7	-170.4	-176.6	171.5	0	0	110.1	S97 R242 I553 Q554	E95-S97 PolarHBondContact O-N 2.65Å; E95-R242 VanDerWaalsContact CD-NH1 3.32Å; E95-R242 IonicContact OE1-CZ 3.83Å; E95-R242 IonicContact OE1-NH1 3.36Å; E95-R242 PolarHBondContact OE1-NH1 2.87Å; E95-R242 IonicContact OE1-NH2 3.27Å; E95-R242 PolarHBondContact OE1-NH2 3.45Å; E95-R242 IonicContact OE2-NH1 2.65Å; E95-R242 PolarHBondContact OE2-NH1 2.86Å; E95-I553 HydrophobicContact CB-CB 4.15Å; E95-I553 HydrophobicContact CB-CG2 3.97Å; E95-I553 VanDerWaalsContact OE2-CA 3.26Å; E95-I553 WeakPolarHBondContact OE2-CA 3.25Å; E95-Q554 PolarHBondContact OE2-N 3.22Å
96	K	70.4	Confident	74.1	Confident	203 Å²	203	81.3 Å²	81.3	88%	0.883	42%	0.42	S	S	*	.			trans	-77.3	87.6	-177.5	-69.5	-174.3	178.6	-179.7	0	111.6	W94	W94-K96 PolarHBondContact O-N 3.22Å
97	S	66.8	Low	76	Confident	44 Å²	44	88.7 Å²	88.7	31%	0.308	45%	0.446	S	S	.	.			trans	-67.3	148.5	166.8	52	0	0	0	0	111.8	E95 N99	E95-S97 PolarHBondContact O-N 2.65Å; S97-N99 VanDerWaalsContact C-N 3.29Å; S97-N99 VanDerWaalsContact CB-OD1 3.23Å; S97-N99 WeakPolarHBondContact CB-OD1 3.46Å; S97-N99 PolarHBondContact O-N 2.8Å; S97-N99 VanDerWaalsContact O-N 3.17Å; S97-N99 PolarHBondContact OG-OD1 3.06Å
98	K	72.9	Confident	77.8	Confident	213 Å²	213	89.1 Å²	89.1	93%	0.926	44%	0.444	S	S	*	.			trans	-85.4	71.5	170	-73.6	-174.6	177	-180	0	109.5	I100	K98-I100 PolarHBondContact O-N 2.68Å
99	N	84.1	Confident	79.9	Confident	75 Å²	75	90.8 Å²	90.8	40%	0.401	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-61.9	130.2	-178.4	-73.7	11.7	0	0	0	111.2	S97 Q549	S97-N99 VanDerWaalsContact C-N 3.29Å; S97-N99 VanDerWaalsContact CB-OD1 3.23Å; S97-N99 WeakPolarHBondContact CB-OD1 3.46Å; S97-N99 PolarHBondContact O-N 2.8Å; S97-N99 VanDerWaalsContact O-N 3.17Å; S97-N99 PolarHBondContact OG-OD1 3.06Å; N99-Q549 VanDerWaalsContact CA-OE1 3.3Å
100	I	90.3	Very high	81.8	Confident	47 Å²	47	95.2 Å²	95.2	24%	0.241	46%	0.461	C	S	.	.	P	Polyproline II helix	trans	-70.3	134.6	166.4	-55.6	175.5	0	0	0	107	K98 L234 R237 Y239 F545 Q549	K98-I100 PolarHBondContact O-N 2.68Å; I100-L234 HydrophobicContact CD1-CD2 4.23Å; I100-R237 HydrophobicContact CD1-CB 4.25Å; I100-R237 HydrophobicContact CG2-CB 3.96Å; I100-R237 HydrophobicContact CG2-CG 4.33Å; I100-Y239 HydrophobicContact CD1-CD2 4.17Å; I100-Y239 HydrophobicContact CD1-CG 4.47Å; I100-F545 HydrophobicContact CB-CZ 4.25Å; I100-F545 HydrophobicContact CG2-CZ 4.05Å; I100-F545 VanDerWaalsContact O-CE1 3.32Å; I100-F545 WeakPolarHBondContact O-CE1 3.2Å; I100-Q549 PolarHBondContact O-NE2 2.81Å; I100-Q549 PolarHBondContact O-OE1 2.93Å
101	S	88.9	Confident	83.7	Confident	97 Å²	97	92.2 Å²	92.2	68%	0.678	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-85.4	141.4	173.7	52.6	0	0	0	0	111.6
102	L	91.4	Very high	85.8	Confident	32 Å²	32	87.6 Å²	87.6	17%	0.168	42%	0.423	C	S	.	.			trans	-109	124.4	167.7	-179.6	59	0	0	0	109.3	I104 Y233 V542 F545	L102-I104 HydrophobicContact CD1-CG1 4.26Å; L102-I104 HydrophobicContact CD2-CD1 4.28Å; L102-I104 HydrophobicContact CD2-CG1 4.16Å; L102-I104 HydrophobicContact CG-CG1 3.97Å; L102-Y233 HydrophobicContact CD1-CD2 3.66Å; L102-Y233 HydrophobicContact CD1-CE2 4.11Å; L102-Y233 HydrophobicContact CD1-CG 4.3Å; L102-Y233 HydrophobicContact CD2-CD2 3.89Å; L102-Y233 HydrophobicContact CD2-CE2 4.4Å; L102-Y233 HydrophobicContact CG-CD2 4.46Å; L102-V542 HydrophobicContact CD2-CG2 4.1Å; L102-F545 HydrophobicContact CB-CD1 3.71Å; L102-F545 HydrophobicContact CB-CD2 4.34Å; L102-F545 HydrophobicContact CB-CE1 3.47Å; L102-F545 VanDerWaalsContact CB-CE1 3.47Å; L102-F545 HydrophobicContact CB-CE2 4.13Å; L102-F545 HydrophobicContact CB-CG 4.16Å; L102-F545 HydrophobicContact CB-CZ 3.71Å; L102-F545 HydrophobicContact CD2-CB 4.11Å; L102-F545 HydrophobicContact CD2-CD1 4.13Å; L102-F545 HydrophobicContact CD2-CD2 3.91Å; L102-F545 HydrophobicContact CD2-CE2 4.39Å; L102-F545 HydrophobicContact CD2-CG 3.78Å
103	V	88.9	Confident	87.4	Confident	110 Å²	110	87.1 Å²	87.1	67%	0.667	42%	0.418	S	S	*	.			trans	-120.4	114.7	167.3	178.9	0	0	0	0	106.4	D105	V103-D105 PolarHBondContact O-N 3.21Å
104	I	90.5	Very high	88.6	Confident	21 Å²	21	80.8 Å²	80.8	11%	0.108	40%	0.396	C	S	.	.			trans	-87.9	90	176.3	-53.8	177.5	0	0	0	107.5	L102 H108 R109 L112 E538 V542	L102-I104 HydrophobicContact CD1-CG1 4.26Å; L102-I104 HydrophobicContact CD2-CD1 4.28Å; L102-I104 HydrophobicContact CD2-CG1 4.16Å; L102-I104 HydrophobicContact CG-CG1 3.97Å; I104-H108 HydrophobicContact CG2-CB 4.13Å; I104-R109 HydrophobicContact CG2-CB 3.88Å; I104-R109 PolarHBondContact O-NH2 3.18Å; I104-L112 HydrophobicContact CD1-CD1 4.05Å; I104-E538 HydrophobicContact CD1-CB 4.28Å; I104-E538 HydrophobicContact CD1-CG 4.48Å; I104-V542 HydrophobicContact CD1-CG2 3.89Å
105	D	92.6	Very high	89.4	Confident	74 Å²	74	79.8 Å²	79.8	40%	0.396	39%	0.394	S	S	.	.			trans	-67	174.3	168.9	71.2	46.1	0	0	0	111.6	V103 R107 H108 R109	V103-D105 PolarHBondContact O-N 3.21Å; D105-R107 VanDerWaalsContact C-N 3.3Å; D105-R107 PolarHBondContact O-N 2.93Å; D105-R107 WeakPolarHBondContact OD1-CA 3.3Å; D105-R107 WeakPolarHBondContact OD1-CB 3.46Å; D105-R107 PolarHBondContact OD1-N 3.41Å; D105-H108 PolarHBondContact O-N 3.35Å; D105-H108 IonicContact OD1-CG 2.66Å; D105-H108 PolarHBondContact OD1-N 3Å; D105-H108 IonicContact OD1-ND1 3.96Å; D105-H108 PolarHBondContact OD1-ND1 2.78Å; D105-H108 IonicContact OD2-CE1 3.71Å; D105-H108 PolarHBondContact OD2-CE1 2.87Å; D105-H108 IonicContact OD2-ND1 3.64Å; D105-H108 PolarHBondContact OD2-ND1 2.67Å; D105-R109 WeakPolarHBondContact O-CB 3.28Å; D105-R109 PolarHBondContact O-N 3.02Å
106	Q	93.9	Very high	90.3	Very high	101 Å²	101	76.4 Å²	76.4	47%	0.472	38%	0.379	S	S	.	.	H	α-helix	trans	-62.2	-34.3	-174.4	-175.3	57	22.1	0	0	113.8	E110	Q106-E110 WeakPolarHBondContact CG-OE1 3.39Å; Q106-E110 PolarHBondContact NE2-OE1 3.09Å; Q106-E110 VanDerWaalsContact O-CG 3.31Å; Q106-E110 WeakPolarHBondContact O-CG 3.46Å; Q106-E110 PolarHBondContact O-N 2.94Å
107	R	93.7	Very high	91.6	Very high	183 Å²	183	68.6 Å²	68.6	69%	0.691	35%	0.345	S	S	*	.	H	α-helix	trans	-71.9	-46	177.6	175.1	-178.6	167	169.2	-1.8	110.5	D105 R109 E110 E111	D105-R107 VanDerWaalsContact C-N 3.3Å; D105-R107 PolarHBondContact O-N 2.93Å; D105-R107 WeakPolarHBondContact OD1-CA 3.3Å; D105-R107 WeakPolarHBondContact OD1-CB 3.46Å; D105-R107 PolarHBondContact OD1-N 3.41Å; R107-R109 VanDerWaalsContact C-N 3.26Å; R107-R109 PolarHBondContact O-N 2.83Å; R107-E110 PolarHBondContact O-N 3.31Å; R107-E111 PolarHBondContact O-N 2.85Å
108	H	93.1	Very high	93.1	Very high	55 Å²	55	70.1 Å²	70.1	26%	0.255	35%	0.347	S	S	.	.	H	α-helix	trans	-61.7	-36.9	176.8	-70.8	90.1	0	0	0	111.4	I104 D105 L112 Y233	I104-H108 HydrophobicContact CG2-CB 4.13Å; D105-H108 PolarHBondContact O-N 3.35Å; D105-H108 IonicContact OD1-CG 2.66Å; D105-H108 PolarHBondContact OD1-N 3Å; D105-H108 IonicContact OD1-ND1 3.96Å; D105-H108 PolarHBondContact OD1-ND1 2.78Å; D105-H108 IonicContact OD2-CE1 3.71Å; D105-H108 PolarHBondContact OD2-CE1 2.87Å; D105-H108 IonicContact OD2-ND1 3.64Å; D105-H108 PolarHBondContact OD2-ND1 2.67Å; H108-L112 WeakPolarHBondContact O-CB 3.37Å; H108-L112 PolarHBondContact O-N 3.39Å; H108-Y233 PolarHBondContact O-OH 3.15Å
109	R	95.8	Very high	94.4	Very high	66 Å²	66	60 Å²	60	25%	0.249	30%	0.303	C	S	.	.	H	α-helix	trans	-60.6	-49.4	171.4	174.5	178.7	-63.9	94.3	23.9	112.2	I104 D105 R107 E111 L112 L113 E538	I104-R109 HydrophobicContact CG2-CB 3.88Å; I104-R109 PolarHBondContact O-NH2 3.18Å; D105-R109 WeakPolarHBondContact O-CB 3.28Å; D105-R109 PolarHBondContact O-N 3.02Å; R107-R109 VanDerWaalsContact C-N 3.26Å; R107-R109 PolarHBondContact O-N 2.83Å; R109-E111 VanDerWaalsContact C-N 3.31Å; R109-E111 PolarHBondContact O-N 2.74Å; R109-L112 PolarHBondContact O-N 2.65Å; R109-L113 HydrophobicContact CG-CD1 3.64Å; R109-L113 HydrophobicContact CG-CG 4.3Å; R109-L113 VanDerWaalsContact O-CB 3.32Å; R109-L113 WeakPolarHBondContact O-CB 3.37Å; R109-L113 VanDerWaalsContact O-CG 3.24Å; R109-L113 WeakPolarHBondContact O-CG 3.38Å; R109-L113 PolarHBondContact O-N 3.38Å; R109-E538 VanDerWaalsContact CD-OE1 3.32Å; R109-E538 WeakPolarHBondContact CD-OE1 3.24Å; R109-E538 IonicContact CZ-OE1 2.69Å; R109-E538 IonicContact CZ-OE2 3.86Å; R109-E538 VanDerWaalsContact CZ-OE2 3.24Å; R109-E538 IonicContact NE-OE1 2.73Å; R109-E538 PolarHBondContact NE-OE1 3.24Å; R109-E538 IonicContact NE-OE2 2.82Å; R109-E538 PolarHBondContact NE-OE2 3.42Å; R109-E538 IonicContact NH2-OE2 2.62Å; R109-E538 PolarHBondContact NH2-OE2 3.01Å
110	E	96.3	Very high	95.1	Very high	119 Å²	119	56.4 Å²	56.4	56%	0.556	28%	0.284	S	S	*	.	H	α-helix	trans	-62.2	-37.9	180	-76.7	166.5	-165.2	0	0	112.3	Q106 R107 G114	Q106-E110 WeakPolarHBondContact CG-OE1 3.39Å; Q106-E110 PolarHBondContact NE2-OE1 3.09Å; Q106-E110 VanDerWaalsContact O-CG 3.31Å; Q106-E110 WeakPolarHBondContact O-CG 3.46Å; Q106-E110 PolarHBondContact O-N 2.94Å; R107-E110 PolarHBondContact O-N 3.31Å; E110-G114 WeakPolarHBondContact O-CA 3.38Å; E110-G114 PolarHBondContact O-N 2.85Å
111	E	95.8	Very high	95.5	Very high	95 Å²	95	59.1 Å²	59.1	44%	0.444	29%	0.291	S	S	.	.	H	α-helix	trans	-68.9	-49.5	175.6	-168.2	171.7	153.2	0	0	112.1	R107 R109 L113 G114 N115	R107-E111 PolarHBondContact O-N 2.85Å; R109-E111 VanDerWaalsContact C-N 3.31Å; R109-E111 PolarHBondContact O-N 2.74Å; E111-L113 PolarHBondContact O-N 2.8Å; E111-G114 PolarHBondContact O-N 3.43Å; E111-G114 VanDerWaalsContact O-N 3.17Å; E111-N115 PolarHBondContact O-N 3.48Å
112	L	96.5	Very high	95.9	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-58.7	-45.6	177.5	172.5	152.1	0	0	0	112.4	I104 H108 R109 F116 Q229 Y233 Y537 E538 V541	I104-L112 HydrophobicContact CD1-CD1 4.05Å; H108-L112 WeakPolarHBondContact O-CB 3.37Å; H108-L112 PolarHBondContact O-N 3.39Å; R109-L112 PolarHBondContact O-N 2.65Å; L112-F116 WeakPolarHBondContact O-CB 3.3Å; L112-F116 PolarHBondContact O-N 3.41Å; L112-F116 VanDerWaalsContact O-N 3.16Å; L112-Q229 HydrophobicContact CD1-CG 4.03Å; L112-Q229 HydrophobicContact CG-CG 4.26Å; L112-Y233 HydrophobicContact CD1-CE2 4.05Å; L112-Y537 HydrophobicContact CD2-CD1 3.49Å; L112-Y537 VanDerWaalsContact CD2-CD1 3.49Å; L112-Y537 HydrophobicContact CD2-CE1 3.41Å; L112-Y537 VanDerWaalsContact CD2-CE1 3.41Å; L112-Y537 HydrophobicContact CG-CD1 4.42Å; L112-Y537 HydrophobicContact CG-CE1 3.86Å; L112-E538 HydrophobicContact CD2-CG 3.9Å; L112-V541 HydrophobicContact CD1-CB 4.06Å; L112-V541 HydrophobicContact CD1-CG1 4.09Å; L112-V541 HydrophobicContact CD1-CG2 3.74Å; L112-V541 HydrophobicContact CG-CG2 4.22Å
113	L	98.3	Very high	96.2	Very high	10 Å²	10	55.8 Å²	55.8	5%	0.052	27%	0.268	C	S	.	.	H	α-helix	trans	-74.4	-30.8	176.1	-64.1	174.7	0	0	0	111.8	R109 E111 K117 I212 K534 Y537	R109-L113 HydrophobicContact CG-CD1 3.64Å; R109-L113 HydrophobicContact CG-CG 4.3Å; R109-L113 VanDerWaalsContact O-CB 3.32Å; R109-L113 WeakPolarHBondContact O-CB 3.37Å; R109-L113 VanDerWaalsContact O-CG 3.24Å; R109-L113 WeakPolarHBondContact O-CG 3.38Å; R109-L113 PolarHBondContact O-N 3.38Å; E111-L113 PolarHBondContact O-N 2.8Å; L113-K117 WeakPolarHBondContact O-CB 3.27Å; L113-K117 WeakPolarHBondContact O-CE 3.34Å; L113-K117 VanDerWaalsContact O-CG 3.27Å; L113-K117 WeakPolarHBondContact O-CG 3.42Å; L113-K117 PolarHBondContact O-N 3.46Å; L113-I212 HydrophobicContact CD2-CD1 4.03Å; L113-K534 HydrophobicContact CD1-CB 4.05Å; L113-K534 HydrophobicContact CD1-CD 3.76Å; L113-K534 HydrophobicContact CD1-CG 3.86Å; L113-K534 HydrophobicContact CD2-CB 4.12Å; L113-K534 HydrophobicContact CD2-CG 4.02Å; L113-Y537 HydrophobicContact CD2-CD1 3.86Å
114	G	98.4	Very high	96.7	Very high	29 Å²	29	50.6 Å²	50.6	30%	0.299	24%	0.236	S	C	.	.	H	α-helix	trans	-62.3	-51.2	173.6	0	0	0	0	0	111.9	E110 E111 K117 E118	E110-G114 WeakPolarHBondContact O-CA 3.38Å; E110-G114 PolarHBondContact O-N 2.85Å; E111-G114 PolarHBondContact O-N 3.43Å; E111-G114 VanDerWaalsContact O-N 3.17Å; G114-K117 PolarHBondContact O-N 3.01Å; G114-E118 PolarHBondContact O-N 2.93Å
115	N	98.5	Very high	97	Very high	30 Å²	30	50 Å²	50	16%	0.16	23%	0.234	C	C	.	.	H	α-helix	trans	-58.2	-49.1	175.6	-74.2	-20.4	0	0	0	111.4	E111 K117 E118 A119 F143 M225	E111-N115 PolarHBondContact O-N 3.48Å; N115-K117 PolarHBondContact O-N 2.84Å; N115-E118 PolarHBondContact O-N 2.84Å; N115-E118 VanDerWaalsContact O-N 3.15Å; N115-A119 PolarHBondContact O-N 3.47Å; N115-F143 HydrophobicContact CB-CZ 4.34Å; N115-F143 VanDerWaalsContact O-CZ 3.22Å; N115-F143 WeakPolarHBondContact O-CZ 3.45Å; N115-M225 HydrophobicContact CB-CE 3.89Å
116	F	98.8	Very high	97.1	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-61.3	-44.7	179.1	-179.7	-129.3	0	0	0	112.8	L112 E118 A119 L120 I212 T217 C222 M225 I532 Y537	L112-F116 WeakPolarHBondContact O-CB 3.3Å; L112-F116 PolarHBondContact O-N 3.41Å; L112-F116 VanDerWaalsContact O-N 3.16Å; F116-E118 PolarHBondContact O-N 2.67Å; F116-A119 WeakPolarHBondContact O-CB 3.46Å; F116-A119 PolarHBondContact O-N 2.97Å; F116-L120 HydrophobicContact CD1-CD1 4.23Å; F116-L120 HydrophobicContact CD2-CD1 4.44Å; F116-L120 HydrophobicContact CD2-CG 4.47Å; F116-L120 HydrophobicContact CE1-CD1 3.95Å; F116-L120 HydrophobicContact CE2-CD1 4.16Å; F116-L120 HydrophobicContact CE2-CD2 4.27Å; F116-L120 HydrophobicContact CE2-CG 4.22Å; F116-L120 HydrophobicContact CG-CD1 4.48Å; F116-L120 HydrophobicContact CZ-CD1 3.93Å; F116-L120 HydrophobicContact CZ-CD2 4.44Å; F116-L120 HydrophobicContact CZ-CG 4.44Å; F116-L120 WeakPolarHBondContact O-CG 3.34Å; F116-L120 PolarHBondContact O-N 2.63Å; F116-I212 HydrophobicContact CD1-CD1 3.88Å; F116-I212 HydrophobicContact CE1-CD1 4.17Å; F116-T217 HydrophobicContact CZ-CG2 4.3Å; F116-C222 HydrophobicContact CE2-CB 3.99Å; F116-C222 HydrophobicContact CZ-CB 4.03Å; F116-M225 HydrophobicContact CD2-CB 4.23Å; F116-M225 HydrophobicContact CD2-CG 4.28Å; F116-I532 HydrophobicContact CE1-CG2 3.52Å; F116-I532 HydrophobicContact CZ-CG2 3.79Å; F116-Y537 HydrophobicContact CB-CD1 4.18Å; F116-Y537 HydrophobicContact CB-CE1 3.52Å; F116-Y537 HydrophobicContact CB-CE2 4.26Å; F116-Y537 AromaticContact CD1-CD1 3.81Å; F116-Y537 HydrophobicContact CD1-CD1 3.81Å; F116-Y537 AromaticContact CD1-CD2 3.87Å; F116-Y537 HydrophobicContact CD1-CD2 3.87Å; F116-Y537 AromaticContact CD1-CE1 3.98Å; F116-Y537 HydrophobicContact CD1-CE1 3.98Å; F116-Y537 HydrophobicContact CD1-CE2 4.06Å; F116-Y537 AromaticContact CD1-CG 3.75Å; F116-Y537 HydrophobicContact CD1-CG 3.75Å; F116-Y537 HydrophobicContact CD2-CD2 4.11Å; F116-Y537 HydrophobicContact CD2-CE1 4.42Å; F116-Y537 AromaticContact CD2-CE2 3.6Å; F116-Y537 HydrophobicContact CD2-CE2 3.6Å; F116-Y537 AromaticContact CD2-CZ 3.79Å; F116-Y537 HydrophobicContact CE1-CD1 4.4Å; F116-Y537 AromaticContact CE1-CD2 3.8Å; F116-Y537 HydrophobicContact CE1-CD2 3.8Å; F116-Y537 HydrophobicContact CE1-CE2 4.28Å; F116-Y537 AromaticContact CE1-CG 3.88Å; F116-Y537 HydrophobicContact CE1-CG 3.88Å; F116-Y537 HydrophobicContact CE2-CD2 4.05Å; F116-Y537 AromaticContact CE2-CE2 3.86Å; F116-Y537 HydrophobicContact CE2-CE2 3.86Å; F116-Y537 HydrophobicContact CG-CD1 4.07Å; F116-Y537 HydrophobicContact CG-CD2 4.02Å; F116-Y537 AromaticContact CG-CE1 3.74Å; F116-Y537 HydrophobicContact CG-CE1 3.74Å; F116-Y537 AromaticContact CG-CE2 3.71Å; F116-Y537 HydrophobicContact CG-CE2 3.71Å; F116-Y537 HydrophobicContact CG-CG 4.2Å; F116-Y537 AromaticContact CG-CZ 3.57Å; F116-Y537 AromaticContact CZ-CD2 3.87Å; F116-Y537 HydrophobicContact CZ-CD2 3.87Å; F116-Y537 HydrophobicContact CZ-CE2 4.17Å; F116-Y537 HydrophobicContact CZ-CG 4.42Å
117	K	98.8	Very high	96.9	Very high	40 Å²	40	46.9 Å²	46.9	17%	0.174	22%	0.216	C	C	.	.	H	α-helix	trans	-62.3	-29.6	175.4	-73.9	179.4	-69	-174.5	0	113.1	L113 G114 N115 R121 A205 E207 I212	L113-K117 WeakPolarHBondContact O-CB 3.27Å; L113-K117 WeakPolarHBondContact O-CE 3.34Å; L113-K117 VanDerWaalsContact O-CG 3.27Å; L113-K117 WeakPolarHBondContact O-CG 3.42Å; L113-K117 PolarHBondContact O-N 3.46Å; G114-K117 PolarHBondContact O-N 3.01Å; N115-K117 PolarHBondContact O-N 2.84Å; K117-R121 WeakPolarHBondContact O-CG 3.39Å; K117-R121 PolarHBondContact O-N 2.87Å; K117-A205 HydrophobicContact CB-CB 3.71Å; K117-A205 HydrophobicContact CG-CB 3.9Å; K117-A205 WeakPolarHBondContact O-CB 3.49Å; K117-E207 HydrophobicContact CD-CG 4.45Å; K117-E207 IonicContact NZ-OE1 3.94Å; K117-E207 PolarHBondContact NZ-OE1 3.27Å; K117-I212 HydrophobicContact CD-CD1 4.19Å; K117-I212 HydrophobicContact CD-CG1 4.35Å; K117-I212 HydrophobicContact CG-CD1 3.87Å; K117-I212 HydrophobicContact CG-CG1 4.29Å; K117-I212 HydrophobicContact CG-CG2 4.08Å
118	E	98.7	Very high	96.7	Very high	75 Å²	75	40.1 Å²	40.1	35%	0.35	20%	0.197	S	C	.	.	H	α-helix	trans	-75.1	-39.4	175	-162.7	75.6	156.6	0	0	112.2	G114 N115 F116 L120 R121 F143	G114-E118 PolarHBondContact O-N 2.93Å; N115-E118 PolarHBondContact O-N 2.84Å; N115-E118 VanDerWaalsContact O-N 3.15Å; F116-E118 PolarHBondContact O-N 2.67Å; E118-L120 PolarHBondContact O-N 3.46Å; E118-R121 PolarHBondContact O-N 3.34Å; E118-R121 WeakPolarHBondContact OE2-CD 3.36Å; E118-R121 IonicContact OE2-CZ 3.76Å; E118-R121 IonicContact OE2-NH1 2.94Å; E118-R121 PolarHBondContact OE2-NH1 2.92Å; E118-F143 HydrophobicContact CB-CD2 4.38Å; E118-F143 HydrophobicContact CB-CE2 3.7Å; E118-F143 HydrophobicContact CB-CZ 4.01Å; E118-F143 HydrophobicContact CG-CD2 3.94Å; E118-F143 HydrophobicContact CG-CE2 3.73Å; E118-F143 HydrophobicContact CG-CZ 4.46Å
119	A	98.8	Very high	96.3	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-57	-38.3	173.8	0	0	0	0	0	112.7	N115 F116 R121 F140 F143 K221 M225	N115-A119 PolarHBondContact O-N 3.47Å; F116-A119 WeakPolarHBondContact O-CB 3.46Å; F116-A119 PolarHBondContact O-N 2.97Å; A119-R121 VanDerWaalsContact C-N 3.33Å; A119-F140 HydrophobicContact CB-CE2 3.84Å; A119-F140 HydrophobicContact CB-CZ 4.19Å; A119-F143 HydrophobicContact CB-CE1 3.79Å; A119-F143 HydrophobicContact CB-CZ 4.44Å; A119-K221 PolarHBondContact O-NZ 2.94Å; A119-M225 HydrophobicContact CB-CE 4.04Å; A119-M225 HydrophobicContact CB-CG 3.72Å; A119-M225 HydrophobicContact CB-SD 3.75Å
120	L	98.7	Very high	95.8	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-70.7	-22.6	176.4	-66	170.1	0	0	0	113.6	F116 E118 A205 I212 R215 G216 T217	F116-L120 HydrophobicContact CD1-CD1 4.23Å; F116-L120 HydrophobicContact CD2-CD1 4.44Å; F116-L120 HydrophobicContact CD2-CG 4.47Å; F116-L120 HydrophobicContact CE1-CD1 3.95Å; F116-L120 HydrophobicContact CE2-CD1 4.16Å; F116-L120 HydrophobicContact CE2-CD2 4.27Å; F116-L120 HydrophobicContact CE2-CG 4.22Å; F116-L120 HydrophobicContact CG-CD1 4.48Å; F116-L120 HydrophobicContact CZ-CD1 3.93Å; F116-L120 HydrophobicContact CZ-CD2 4.44Å; F116-L120 HydrophobicContact CZ-CG 4.44Å; F116-L120 WeakPolarHBondContact O-CG 3.34Å; F116-L120 PolarHBondContact O-N 2.63Å; E118-L120 PolarHBondContact O-N 3.46Å; L120-A205 HydrophobicContact CB-CB 3.83Å; L120-A205 HydrophobicContact CD1-CB 4.08Å; L120-I212 HydrophobicContact CD1-CG2 3.65Å; L120-R215 WeakPolarHBondContact CD2-O 3.44Å; L120-G216 WeakPolarHBondContact CD2-O 3.43Å; L120-T217 HydrophobicContact CD1-CG2 3.49Å; L120-T217 VanDerWaalsContact CD1-CG2 3.49Å; L120-T217 HydrophobicContact CD2-CG2 3.81Å; L120-T217 HydrophobicContact CG-CG2 4.32Å
121	R	98.6	Very high	95.4	Very high	105 Å²	105	45 Å²	45	40%	0.396	23%	0.232	S	C	.	.	H	α-helix	trans	-81.3	-17	177.6	-72.6	173.9	-166.1	126	8.9	114	K117 E118 A119 P123 F203 S204 A205	K117-R121 WeakPolarHBondContact O-CG 3.39Å; K117-R121 PolarHBondContact O-N 2.87Å; E118-R121 PolarHBondContact O-N 3.34Å; E118-R121 WeakPolarHBondContact OE2-CD 3.36Å; E118-R121 IonicContact OE2-CZ 3.76Å; E118-R121 IonicContact OE2-NH1 2.94Å; E118-R121 PolarHBondContact OE2-NH1 2.92Å; A119-R121 VanDerWaalsContact C-N 3.33Å; R121-P123 VanDerWaalsContact O-CD 3.29Å; R121-P123 WeakPolarHBondContact O-CD 3.4Å; R121-F203 WeakPolarHBondContact CA-O 3.31Å; R121-F203 WeakPolarHBondContact CG-O 3.45Å; R121-S204 PolarHBondContact NE-O 3.09Å; R121-S204 VanDerWaalsContact NE-O 3.13Å; R121-A205 HydrophobicContact CG-CB 4.31Å
122	I	98.6	Very high	95	Very high	19 Å²	19	42.5 Å²	42.5	10%	0.097	23%	0.225	C	C	.	.	S	Bend	trans	-87.9	107.9	179.6	-58.3	169.9	0	0	0	107.9	T124 A136 Q139 F140 F143 K221	I122-T124 VanDerWaalsContact C-N 3.32Å; I122-T124 HydrophobicContact CG2-CG2 4.12Å; I122-T124 PolarHBondContact O-N 2.99Å; I122-A136 HydrophobicContact CG2-CB 3.93Å; I122-A136 VanDerWaalsContact CG2-O 3.31Å; I122-A136 WeakPolarHBondContact CG2-O 3.45Å; I122-Q139 HydrophobicContact CG2-CB 4.02Å; I122-F140 HydrophobicContact CB-CD2 4.09Å; I122-F140 HydrophobicContact CD1-CD2 4.04Å; I122-F140 HydrophobicContact CG2-CB 4.27Å; I122-F140 HydrophobicContact CG2-CD2 4.12Å; I122-F143 HydrophobicContact CD1-CB 3.62Å; I122-F143 HydrophobicContact CD1-CD1 4.07Å; I122-F143 HydrophobicContact CD1-CG 3.8Å; I122-K221 PolarHBondContact O-NZ 2.95Å
123	P	97.5	Very high	94.8	Very high	40 Å²	40	44.8 Å²	44.8	26%	0.26	24%	0.237	S	C	.	.			trans	-84.1	75.4	-169.3	34.6	-34.5	0	0	0	110.9	R121 V125 N133 A136 F203	R121-P123 VanDerWaalsContact O-CD 3.29Å; R121-P123 WeakPolarHBondContact O-CD 3.4Å; P123-V125 HydrophobicContact CB-CG2 4.28Å; P123-V125 PolarHBondContact O-N 2.9Å; P123-N133 WeakPolarHBondContact O-CB 3.25Å; P123-N133 PolarHBondContact O-ND2 2.83Å; P123-A136 VanDerWaalsContact C-CB 3.48Å; P123-A136 HydrophobicContact CG-CB 4.46Å; P123-A136 WeakPolarHBondContact O-CB 3.28Å; P123-F203 HydrophobicContact CB-CD1 3.98Å; P123-F203 HydrophobicContact CB-CD2 4.1Å; P123-F203 HydrophobicContact CB-CE1 4.07Å; P123-F203 HydrophobicContact CB-CE2 4.19Å; P123-F203 HydrophobicContact CB-CG 4Å; P123-F203 HydrophobicContact CB-CZ 4.18Å
124	T	97.9	Very high	94.6	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.006	24%	0.244	C	C	.	.			trans	-68.6	46.3	175.6	44.8	0	0	0	0	112.7	I122 S126 A136 L137 F140 I187 D188 V189 K221	I122-T124 VanDerWaalsContact C-N 3.32Å; I122-T124 HydrophobicContact CG2-CG2 4.12Å; I122-T124 PolarHBondContact O-N 2.99Å; T124-S126 PolarHBondContact O-N 2.94Å; T124-A136 HydrophobicContact CG2-CB 4.13Å; T124-L137 HydrophobicContact CG2-CD2 3.89Å; T124-F140 HydrophobicContact CG2-CB 3.9Å; T124-F140 HydrophobicContact CG2-CD2 4.05Å; T124-F140 HydrophobicContact CG2-CG 4.05Å; T124-I187 VanDerWaalsContact CB-O 3.26Å; T124-I187 WeakPolarHBondContact CB-O 3.44Å; T124-I187 PolarHBondContact OG1-O 3.47Å; T124-D188 WeakPolarHBondContact O-CA 3.21Å; T124-D188 VanDerWaalsContact O-CB 3.31Å; T124-D188 WeakPolarHBondContact O-CB 3.28Å; T124-V189 PolarHBondContact O-N 2.97Å; T124-K221 WeakPolarHBondContact OG1-CE 3.41Å; T124-K221 PolarHBondContact OG1-NZ 3Å
125	V	97.1	Very high	94.6	Very high	8 Å²	8	48.2 Å²	48.2	5%	0.048	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-71.4	131.5	-171.9	-179.8	0	0	0	0	111.7	P123 F127 S132 N133 V189 P191 F203	P123-V125 HydrophobicContact CB-CG2 4.28Å; P123-V125 PolarHBondContact O-N 2.9Å; V125-F127 HydrophobicContact CB-CE1 4.39Å; V125-F127 HydrophobicContact CB-CE2 3.88Å; V125-F127 HydrophobicContact CB-CZ 3.8Å; V125-F127 HydrophobicContact CG1-CD1 3.9Å; V125-F127 HydrophobicContact CG1-CD2 4.07Å; V125-F127 HydrophobicContact CG1-CE1 3.54Å; V125-F127 HydrophobicContact CG1-CE2 3.72Å; V125-F127 HydrophobicContact CG1-CG 4.16Å; V125-F127 HydrophobicContact CG1-CZ 3.45Å; V125-F127 VanDerWaalsContact CG1-CZ 3.45Å; V125-S132 WeakPolarHBondContact O-CA 3.21Å; V125-N133 PolarHBondContact O-N 2.96Å; V125-V189 WeakPolarHBondContact CA-O 3.4Å; V125-V189 HydrophobicContact CG2-CG2 4.1Å; V125-P191 HydrophobicContact CG1-CB 4.07Å; V125-P191 HydrophobicContact CG1-CG 3.7Å; V125-F203 HydrophobicContact CG2-CE1 4.38Å; V125-F203 HydrophobicContact CG2-CE2 4.29Å; V125-F203 HydrophobicContact CG2-CZ 3.66Å
126	S	94.3	Very high	94.6	Very high	4 Å²	4	46.8 Å²	46.8	3%	0.028	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	126.8	165.5	-75.6	0	0	0	0	109.3	T124 D188 V189 P191	T124-S126 PolarHBondContact O-N 2.94Å; S126-D188 WeakPolarHBondContact CB-OD2 3.49Å; S126-D188 WeakPolarHBondContact OG-CB 3.23Å; S126-D188 PolarHBondContact OG-OD2 3.23Å; S126-V189 PolarHBondContact N-O 3.07Å; S126-P191 WeakPolarHBondContact O-CD 3.35Å
127	F	91.1	Very high	94.5	Very high	106 Å²	106	47 Å²	47	47%	0.465	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	-36.1	-178.5	-60.3	-86	0	0	0	112.6	V125 E131 P191	V125-F127 HydrophobicContact CB-CE1 4.39Å; V125-F127 HydrophobicContact CB-CE2 3.88Å; V125-F127 HydrophobicContact CB-CZ 3.8Å; V125-F127 HydrophobicContact CG1-CD1 3.9Å; V125-F127 HydrophobicContact CG1-CD2 4.07Å; V125-F127 HydrophobicContact CG1-CE1 3.54Å; V125-F127 HydrophobicContact CG1-CE2 3.72Å; V125-F127 HydrophobicContact CG1-CG 4.16Å; V125-F127 HydrophobicContact CG1-CZ 3.45Å; V125-F127 VanDerWaalsContact CG1-CZ 3.45Å; F127-E131 WeakPolarHBondContact CA-O 3.31Å; F127-E131 HydrophobicContact CB-CB 4.22Å; F127-E131 HydrophobicContact CB-CG 4.1Å; F127-E131 WeakPolarHBondContact CB-O 3.15Å; F127-E131 HydrophobicContact CD2-CG 4.14Å; F127-E131 HydrophobicContact CG-CG 4.46Å; F127-E131 PolarHBondContact N-O 3.28Å; F127-P191 HydrophobicContact CD1-CB 4.47Å; F127-P191 HydrophobicContact CD1-CG 3.76Å; F127-P191 HydrophobicContact CE1-CB 4.36Å; F127-P191 HydrophobicContact CE1-CG 4.09Å
128	S	89.9	Confident	94.5	Very high	41 Å²	41	51.6 Å²	51.6	29%	0.287	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	168.7	173.4	66.7	0	0	0	0	110.6	T130 E131 I255	S128-T130 PolarHBondContact O-N 3.39Å; S128-T130 PolarHBondContact OG-N 3.25Å; S128-T130 PolarHBondContact OG-OG1 3.28Å; S128-E131 PolarHBondContact N-O 3.33Å; S128-E131 VanDerWaalsContact N-O 3.08Å; S128-E131 CarbonylContact O-C 3.58Å; S128-E131 PolarHBondContact O-N 2.91Å; S128-E131 WeakPolarHBondContact OG-CB 3.26Å; S128-E131 PolarHBondContact OG-N 3.09Å; S128-I255 WeakPolarHBondContact O-CD1 3.38Å
129	E	84.3	Confident	94.5	Very high	85 Å²	85	53 Å²	53	40%	0.397	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-18.5	174.8	-62.9	-174	-164.5	0	0	113.7	R256	E129-R256 VanDerWaalsContact OE1-CD 3.25Å; E129-R256 WeakPolarHBondContact OE1-CD 3.46Å; E129-R256 IonicContact OE1-NH1 2.73Å; E129-R256 PolarHBondContact OE1-NH1 3.29Å
130	T	84.6	Confident	94.5	Very high	140 Å²	140	53 Å²	53	86%	0.859	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.2	-0.6	176.7	55.7	0	0	0	0	115.3	S128	S128-T130 PolarHBondContact O-N 3.39Å; S128-T130 PolarHBondContact OG-N 3.25Å; S128-T130 PolarHBondContact OG-OG1 3.28Å
131	E	87.4	Confident	94.5	Very high	118 Å²	118	54.3 Å²	54.3	55%	0.551	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.1	111.1	-174.8	-172.2	177.4	-159.5	0	0	111.8	F127 S128	F127-E131 WeakPolarHBondContact CA-O 3.31Å; F127-E131 HydrophobicContact CB-CB 4.22Å; F127-E131 HydrophobicContact CB-CG 4.1Å; F127-E131 WeakPolarHBondContact CB-O 3.15Å; F127-E131 HydrophobicContact CD2-CG 4.14Å; F127-E131 HydrophobicContact CG-CG 4.46Å; F127-E131 PolarHBondContact N-O 3.28Å; S128-E131 PolarHBondContact N-O 3.33Å; S128-E131 VanDerWaalsContact N-O 3.08Å; S128-E131 CarbonylContact O-C 3.58Å; S128-E131 PolarHBondContact O-N 2.91Å; S128-E131 WeakPolarHBondContact OG-CB 3.26Å; S128-E131 PolarHBondContact OG-N 3.09Å
132	S	88	Confident	94.5	Very high	42 Å²	42	52 Å²	52	29%	0.294	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	158.4	173.3	68.7	0	0	0	0	111	V125 A134	V125-S132 WeakPolarHBondContact O-CA 3.21Å; S132-A134 VanDerWaalsContact C-N 3.26Å; S132-A134 PolarHBondContact O-N 2.97Å
133	N	93.3	Very high	94.5	Very high	47 Å²	47	51.9 Å²	51.9	25%	0.251	28%	0.281	S	S	.	.			trans	-76.5	74.2	-178.2	-168.9	-8.3	0	0	0	112.4	P123 V125 T135 A136 L137	P123-N133 WeakPolarHBondContact O-CB 3.25Å; P123-N133 PolarHBondContact O-ND2 2.83Å; V125-N133 PolarHBondContact O-N 2.96Å; N133-T135 PolarHBondContact O-N 2.76Å; N133-T135 PolarHBondContact OD1-N 3.4Å; N133-A136 HydrophobicContact CB-CB 3.99Å; N133-A136 VanDerWaalsContact CG-CB 3.42Å; N133-A136 VanDerWaalsContact ND2-CB 3.33Å; N133-A136 WeakPolarHBondContact ND2-CB 3.44Å; N133-A136 PolarHBondContact O-N 2.95Å; N133-A136 PolarHBondContact OD1-N 2.83Å; N133-A136 VanDerWaalsContact OD1-N 3.12Å; N133-L137 PolarHBondContact O-N 2.99Å
134	A	94.1	Very high	94.6	Very high	25 Å²	25	50 Å²	50	21%	0.207	27%	0.269	C	S	.	.	H	α-helix	trans	-59.3	-17	-179.4	0	0	0	0	0	114.9	S132 R138 Y165	S132-A134 VanDerWaalsContact C-N 3.26Å; S132-A134 PolarHBondContact O-N 2.97Å; A134-R138 VanDerWaalsContact O-CZ 3.26Å; A134-R138 PolarHBondContact O-N 3.05Å; A134-R138 PolarHBondContact O-NE 2.79Å; A134-R138 PolarHBondContact O-NH2 3.19Å; A134-R138 VanDerWaalsContact O-NH2 3.14Å; A134-Y165 HydrophobicContact CB-CE1 4.25Å
135	T	97.3	Very high	94.6	Very high	87 Å²	87	54.6 Å²	54.6	53%	0.534	29%	0.286	S	S	.	.	H	α-helix	trans	-78	-46.7	170.6	-62.2	0	0	0	0	110.7	N133 R138 Q139	N133-T135 PolarHBondContact O-N 2.76Å; N133-T135 PolarHBondContact OD1-N 3.4Å; T135-R138 PolarHBondContact O-N 2.67Å; T135-Q139 WeakPolarHBondContact O-CG 3.49Å; T135-Q139 PolarHBondContact O-N 2.85Å
136	A	98.1	Very high	94.7	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-63.7	-39	174.3	0	0	0	0	0	112.2	I122 P123 T124 N133 R138 Q139 F140	I122-A136 HydrophobicContact CG2-CB 3.93Å; I122-A136 VanDerWaalsContact CG2-O 3.31Å; I122-A136 WeakPolarHBondContact CG2-O 3.45Å; P123-A136 VanDerWaalsContact C-CB 3.48Å; P123-A136 HydrophobicContact CG-CB 4.46Å; P123-A136 WeakPolarHBondContact O-CB 3.28Å; T124-A136 HydrophobicContact CG2-CB 4.13Å; N133-A136 HydrophobicContact CB-CB 3.99Å; N133-A136 VanDerWaalsContact CG-CB 3.42Å; N133-A136 VanDerWaalsContact ND2-CB 3.33Å; N133-A136 WeakPolarHBondContact ND2-CB 3.44Å; N133-A136 PolarHBondContact O-N 2.95Å; N133-A136 PolarHBondContact OD1-N 2.83Å; N133-A136 VanDerWaalsContact OD1-N 3.12Å; A136-R138 VanDerWaalsContact C-N 3.33Å; A136-R138 PolarHBondContact O-N 2.87Å; A136-Q139 CarbonylContact O-C 3.36Å; A136-Q139 WeakPolarHBondContact O-CB 3.37Å; A136-Q139 PolarHBondContact O-N 3.11Å; A136-Q139 VanDerWaalsContact O-N 3.14Å; A136-F140 WeakPolarHBondContact O-CB 3.39Å; A136-F140 PolarHBondContact O-N 3.14Å
137	L	98.1	Very high	94.9	Very high	5 Å²	5	62.1 Å²	62.1	3%	0.026	32%	0.319	C	S	.	.	H	α-helix	trans	-59.3	-41.6	175.2	-66.7	172	0	0	0	112	T124 N133 F140 D141 Y165 I187 H251	T124-L137 HydrophobicContact CG2-CD2 3.89Å; N133-L137 PolarHBondContact O-N 2.99Å; L137-F140 WeakPolarHBondContact O-CB 3.41Å; L137-F140 PolarHBondContact O-N 3.38Å; L137-D141 PolarHBondContact O-N 2.7Å; L137-D141 VanDerWaalsContact O-N 3.09Å; L137-Y165 HydrophobicContact CB-CD1 3.72Å; L137-Y165 HydrophobicContact CB-CE1 4.3Å; L137-Y165 HydrophobicContact CB-CG 4.26Å; L137-Y165 HydrophobicContact CD1-CD1 4.14Å; L137-Y165 HydrophobicContact CD1-CD2 4.29Å; L137-Y165 HydrophobicContact CD1-CG 3.95Å; L137-I187 HydrophobicContact CD2-CD1 3.84Å; L137-I187 HydrophobicContact CD2-CG1 3.86Å; L137-H251 HydrophobicContact CD2-CB 4.3Å
138	R	98.3	Very high	95.2	Very high	135 Å²	135	57 Å²	57	51%	0.509	30%	0.297	S	S	.	.	H	α-helix	trans	-69.7	-34.1	173.4	-85.1	-179.2	-79.8	-91.2	-3.6	113.6	A134 T135 A136 F140 A142 Y165	A134-R138 VanDerWaalsContact O-CZ 3.26Å; A134-R138 PolarHBondContact O-N 3.05Å; A134-R138 PolarHBondContact O-NE 2.79Å; A134-R138 PolarHBondContact O-NH2 3.19Å; A134-R138 VanDerWaalsContact O-NH2 3.14Å; T135-R138 PolarHBondContact O-N 2.67Å; A136-R138 VanDerWaalsContact C-N 3.33Å; A136-R138 PolarHBondContact O-N 2.87Å; R138-F140 VanDerWaalsContact C-N 3.27Å; R138-A142 PolarHBondContact O-N 3.04Å; R138-Y165 HydrophobicContact CG-CE1 4.3Å; R138-Y165 VanDerWaalsContact NH1-CE1 3.34Å; R138-Y165 PolarHBondContact NH1-OH 2.89Å
139	Q	98.6	Very high	95.6	Very high	104 Å²	104	58.3 Å²	58.3	49%	0.486	31%	0.305	S	S	.	.	H	α-helix	trans	-65.8	-33.5	171	-71.7	169	-19.4	0	0	111.4	I122 T135 A136 F143	I122-Q139 HydrophobicContact CG2-CB 4.02Å; T135-Q139 WeakPolarHBondContact O-CG 3.49Å; T135-Q139 PolarHBondContact O-N 2.85Å; A136-Q139 CarbonylContact O-C 3.36Å; A136-Q139 WeakPolarHBondContact O-CB 3.37Å; A136-Q139 PolarHBondContact O-N 3.11Å; A136-Q139 VanDerWaalsContact O-N 3.14Å; Q139-F143 VanDerWaalsContact O-CB 3.27Å; Q139-F143 WeakPolarHBondContact O-CB 3.44Å; Q139-F143 PolarHBondContact O-N 3.29Å
140	F	98.7	Very high	96.3	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-69.4	-47.1	178.2	-154.4	-101	0	0	0	111.9	A119 I122 T124 A136 L137 R138 A142 F143 L144 I187 K221 V224	A119-F140 HydrophobicContact CB-CE2 3.84Å; A119-F140 HydrophobicContact CB-CZ 4.19Å; I122-F140 HydrophobicContact CB-CD2 4.09Å; I122-F140 HydrophobicContact CD1-CD2 4.04Å; I122-F140 HydrophobicContact CG2-CB 4.27Å; I122-F140 HydrophobicContact CG2-CD2 4.12Å; T124-F140 HydrophobicContact CG2-CB 3.9Å; T124-F140 HydrophobicContact CG2-CD2 4.05Å; T124-F140 HydrophobicContact CG2-CG 4.05Å; A136-F140 WeakPolarHBondContact O-CB 3.39Å; A136-F140 PolarHBondContact O-N 3.14Å; L137-F140 WeakPolarHBondContact O-CB 3.41Å; L137-F140 PolarHBondContact O-N 3.38Å; R138-F140 VanDerWaalsContact C-N 3.27Å; F140-A142 VanDerWaalsContact C-N 3.34Å; F140-A142 PolarHBondContact O-N 2.98Å; F140-F143 CarbonylContact O-C 3.48Å; F140-F143 PolarHBondContact O-N 2.97Å; F140-F143 VanDerWaalsContact O-N 3.11Å; F140-L144 HydrophobicContact CD1-CD1 3.77Å; F140-L144 HydrophobicContact CD1-CD2 4.37Å; F140-L144 HydrophobicContact CD1-CG 3.91Å; F140-L144 HydrophobicContact CE1-CD1 3.79Å; F140-L144 HydrophobicContact CE1-CD2 3.87Å; F140-L144 HydrophobicContact CE1-CG 3.91Å; F140-L144 HydrophobicContact CZ-CD2 4.31Å; F140-L144 WeakPolarHBondContact O-CG 3.4Å; F140-L144 PolarHBondContact O-N 3.39Å; F140-I187 HydrophobicContact CD1-CB 3.92Å; F140-I187 HydrophobicContact CD1-CD1 4.13Å; F140-I187 HydrophobicContact CD1-CG1 4.44Å; F140-I187 HydrophobicContact CD1-CG2 4.19Å; F140-I187 HydrophobicContact CE1-CB 3.73Å; F140-I187 HydrophobicContact CE1-CG2 3.81Å; F140-K221 HydrophobicContact CE2-CD 4.13Å; F140-K221 HydrophobicContact CZ-CD 4.31Å; F140-K221 HydrophobicContact CZ-CG 4.34Å; F140-V224 HydrophobicContact CE1-CG1 4.13Å; F140-V224 HydrophobicContact CZ-CG1 4.43Å
141	D	98.6	Very high	97	Very high	28 Å²	28	49.5 Å²	49.5	15%	0.15	26%	0.256	C	S	.	.	H	α-helix	trans	-54.8	-48	172.1	169.6	87.8	0	0	0	111.9	L137 F143 L144 R145 H167	L137-D141 PolarHBondContact O-N 2.7Å; L137-D141 VanDerWaalsContact O-N 3.09Å; D141-F143 VanDerWaalsContact C-N 3.29Å; D141-F143 PolarHBondContact O-N 2.92Å; D141-L144 PolarHBondContact O-N 2.94Å; D141-R145 VanDerWaalsContact CG-NE 3.27Å; D141-R145 VanDerWaalsContact O-CG 3.31Å; D141-R145 WeakPolarHBondContact O-CG 3.45Å; D141-R145 PolarHBondContact O-N 3.05Å; D141-R145 VanDerWaalsContact O-N 3.09Å; D141-R145 IonicContact OD1-CZ 3.64Å; D141-R145 VanDerWaalsContact OD1-CZ 3.28Å; D141-R145 IonicContact OD1-NE 3.75Å; D141-R145 PolarHBondContact OD1-NE 2.76Å; D141-R145 VanDerWaalsContact OD1-NE 3.09Å; D141-R145 IonicContact OD1-NH2 2.7Å; D141-R145 PolarHBondContact OD1-NH2 2.74Å; D141-R145 IonicContact OD2-CZ 3.31Å; D141-R145 IonicContact OD2-NE 2.67Å; D141-R145 PolarHBondContact OD2-NE 2.78Å; D141-R145 IonicContact OD2-NH2 3.05Å; D141-H167 IonicContact OD1-CE1 2.75Å; D141-H167 PolarHBondContact OD1-CE1 2.78Å; D141-H167 IonicContact OD1-ND1 3.78Å; D141-H167 IonicContact OD1-NE2 3.02Å
142	A	98.6	Very high	97.5	Very high	58 Å²	58	46 Å²	46	48%	0.479	24%	0.239	S	C	.	.	H	α-helix	trans	-63.1	-34.9	177.7	0	0	0	0	0	112.7	R138 F140 K146	R138-A142 PolarHBondContact O-N 3.04Å; F140-A142 VanDerWaalsContact C-N 3.34Å; F140-A142 PolarHBondContact O-N 2.98Å; A142-K146 PolarHBondContact O-N 2.77Å
143	F	98.8	Very high	98	Very high	16 Å²	16	48.5 Å²	48.5	7%	0.07	26%	0.257	C	S	.	.	H	α-helix	trans	-71	-45.7	174.8	166.9	-101.3	0	0	0	112.4	N115 E118 A119 I122 Q139 F140 D141 R145 K146 A147 M225	N115-F143 HydrophobicContact CB-CZ 4.34Å; N115-F143 VanDerWaalsContact O-CZ 3.22Å; N115-F143 WeakPolarHBondContact O-CZ 3.45Å; E118-F143 HydrophobicContact CB-CD2 4.38Å; E118-F143 HydrophobicContact CB-CE2 3.7Å; E118-F143 HydrophobicContact CB-CZ 4.01Å; E118-F143 HydrophobicContact CG-CD2 3.94Å; E118-F143 HydrophobicContact CG-CE2 3.73Å; E118-F143 HydrophobicContact CG-CZ 4.46Å; A119-F143 HydrophobicContact CB-CE1 3.79Å; A119-F143 HydrophobicContact CB-CZ 4.44Å; I122-F143 HydrophobicContact CD1-CB 3.62Å; I122-F143 HydrophobicContact CD1-CD1 4.07Å; I122-F143 HydrophobicContact CD1-CG 3.8Å; Q139-F143 VanDerWaalsContact O-CB 3.27Å; Q139-F143 WeakPolarHBondContact O-CB 3.44Å; Q139-F143 PolarHBondContact O-N 3.29Å; F140-F143 CarbonylContact O-C 3.48Å; F140-F143 PolarHBondContact O-N 2.97Å; F140-F143 VanDerWaalsContact O-N 3.11Å; D141-F143 VanDerWaalsContact C-N 3.29Å; D141-F143 PolarHBondContact O-N 2.92Å; F143-R145 VanDerWaalsContact C-N 3.29Å; F143-R145 PolarHBondContact O-N 3.26Å; F143-K146 CarbonylContact O-C 3.03Å; F143-K146 WeakPolarHBondContact O-CA 3.26Å; F143-K146 WeakPolarHBondContact O-CB 3.4Å; F143-K146 PolarHBondContact O-N 2.77Å; F143-A147 HydrophobicContact CE1-CB 4.27Å; F143-A147 HydrophobicContact CE2-CB 4.13Å; F143-A147 HydrophobicContact CZ-CB 3.85Å; F143-A147 WeakPolarHBondContact O-CB 3.41Å; F143-A147 PolarHBondContact O-N 3.1Å; F143-M225 HydrophobicContact CE1-CE 3.52Å; F143-M225 HydrophobicContact CE1-SD 3.87Å; F143-M225 HydrophobicContact CZ-CE 3.7Å
144	L	98.8	Very high	98.1	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-58.1	-42.1	177.3	-69.1	-179	0	0	0	111.3	F140 D141 K146 A147 F148 F152 V224 M225 L228 L249	F140-L144 HydrophobicContact CD1-CD1 3.77Å; F140-L144 HydrophobicContact CD1-CD2 4.37Å; F140-L144 HydrophobicContact CD1-CG 3.91Å; F140-L144 HydrophobicContact CE1-CD1 3.79Å; F140-L144 HydrophobicContact CE1-CD2 3.87Å; F140-L144 HydrophobicContact CE1-CG 3.91Å; F140-L144 HydrophobicContact CZ-CD2 4.31Å; F140-L144 WeakPolarHBondContact O-CG 3.4Å; F140-L144 PolarHBondContact O-N 3.39Å; D141-L144 PolarHBondContact O-N 2.94Å; L144-K146 VanDerWaalsContact C-N 3.26Å; L144-K146 PolarHBondContact O-N 3.09Å; L144-A147 PolarHBondContact O-N 3.13Å; L144-F148 HydrophobicContact CD2-CD2 4.16Å; L144-F148 HydrophobicContact CD2-CE2 3.79Å; L144-F148 PolarHBondContact O-N 3.08Å; L144-F152 VanDerWaalsContact C-CE2 3.47Å; L144-F152 HydrophobicContact CB-CE2 3.95Å; L144-F152 HydrophobicContact CB-CZ 4.02Å; L144-F152 WeakPolarHBondContact O-CE2 3.31Å; L144-V224 HydrophobicContact CD2-CG1 4.49Å; L144-M225 HydrophobicContact CD2-SD 3.71Å; L144-L228 HydrophobicContact CD1-CD1 4.29Å; L144-L228 HydrophobicContact CD2-CD1 3.84Å; L144-L249 HydrophobicContact CD1-CD1 4.37Å
145	R	98.6	Very high	98.2	Very high	98 Å²	98	52.3 Å²	52.3	37%	0.37	29%	0.285	S	S	.	.	H	α-helix	trans	-61.5	-31.2	174.9	-69.4	172.5	-167.5	-69.7	-11.3	113.6	D141 F143 F152 H159	D141-R145 VanDerWaalsContact CG-NE 3.27Å; D141-R145 VanDerWaalsContact O-CG 3.31Å; D141-R145 WeakPolarHBondContact O-CG 3.45Å; D141-R145 PolarHBondContact O-N 3.05Å; D141-R145 VanDerWaalsContact O-N 3.09Å; D141-R145 IonicContact OD1-CZ 3.64Å; D141-R145 VanDerWaalsContact OD1-CZ 3.28Å; D141-R145 IonicContact OD1-NE 3.75Å; D141-R145 PolarHBondContact OD1-NE 2.76Å; D141-R145 VanDerWaalsContact OD1-NE 3.09Å; D141-R145 IonicContact OD1-NH2 2.7Å; D141-R145 PolarHBondContact OD1-NH2 2.74Å; D141-R145 IonicContact OD2-CZ 3.31Å; D141-R145 IonicContact OD2-NE 2.67Å; D141-R145 PolarHBondContact OD2-NE 2.78Å; D141-R145 IonicContact OD2-NH2 3.05Å; F143-R145 VanDerWaalsContact C-N 3.29Å; F143-R145 PolarHBondContact O-N 3.26Å; R145-F152 HydrophobicContact CB-CD2 4.47Å; R145-F152 HydrophobicContact CG-CD1 3.89Å; R145-F152 HydrophobicContact CG-CD2 4.22Å; R145-F152 HydrophobicContact CG-CE1 3.84Å; R145-F152 HydrophobicContact CG-CE2 4.21Å; R145-F152 HydrophobicContact CG-CG 4.06Å; R145-F152 HydrophobicContact CG-CZ 4Å; R145-H159 PolarHBondContact NH2-CE1 2.78Å; R145-H159 VanDerWaalsContact NH2-CE1 3.32Å
146	K	98.5	Very high	98.1	Very high	160 Å²	160	50 Å²	50	70%	0.696	27%	0.272	S	S	*	.	H	α-helix	trans	-80	-37.1	176.2	178.5	-167.3	169.2	-162.6	0	112	A142 F143 L144	A142-K146 PolarHBondContact O-N 2.77Å; F143-K146 CarbonylContact O-C 3.03Å; F143-K146 WeakPolarHBondContact O-CA 3.26Å; F143-K146 WeakPolarHBondContact O-CB 3.4Å; F143-K146 PolarHBondContact O-N 2.77Å; L144-K146 VanDerWaalsContact C-N 3.26Å; L144-K146 PolarHBondContact O-N 3.09Å
147	A	98.4	Very high	98.1	Very high	9 Å²	9	51 Å²	51	7%	0.074	28%	0.278	C	S	.	.	H	α-helix	trans	-78.5	-31.5	-176.9	0	0	0	0	0	113.4	F143 L144 P149	F143-A147 HydrophobicContact CE1-CB 4.27Å; F143-A147 HydrophobicContact CE2-CB 4.13Å; F143-A147 HydrophobicContact CZ-CB 3.85Å; F143-A147 WeakPolarHBondContact O-CB 3.41Å; F143-A147 PolarHBondContact O-N 3.1Å; L144-A147 PolarHBondContact O-N 3.13Å; A147-P149 VanDerWaalsContact C-CD 3.4Å; A147-P149 WeakPolarHBondContact O-CD 3.27Å
148	F	98.7	Very high	98.1	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.299	C	S	.	.			trans	-126	56.8	-174.6	-50.5	-60.9	0	0	0	112.5	L144 T150 V151 F152 M225 L228 Q229 E232	L144-F148 HydrophobicContact CD2-CD2 4.16Å; L144-F148 HydrophobicContact CD2-CE2 3.79Å; L144-F148 PolarHBondContact O-N 3.08Å; F148-T150 PolarHBondContact O-N 3.13Å; F148-V151 HydrophobicContact CB-CB 4.02Å; F148-V151 HydrophobicContact CB-CG2 4.05Å; F148-V151 PolarHBondContact O-N 2.98Å; F148-V151 VanDerWaalsContact O-N 3.16Å; F148-F152 HydrophobicContact CB-CD2 4.37Å; F148-F152 HydrophobicContact CB-CE2 4.48Å; F148-F152 WeakPolarHBondContact O-CD2 3.39Å; F148-F152 PolarHBondContact O-N 3.19Å; F148-M225 HydrophobicContact CE2-CE 3.79Å; F148-M225 HydrophobicContact CE2-SD 3.73Å; F148-M225 HydrophobicContact CZ-CE 3.5Å; F148-M225 HydrophobicContact CZ-SD 3.88Å; F148-L228 HydrophobicContact CD1-CB 4.14Å; F148-L228 HydrophobicContact CD2-CB 3.55Å; F148-L228 HydrophobicContact CD2-CD1 3.77Å; F148-L228 HydrophobicContact CD2-CG 4.26Å; F148-L228 HydrophobicContact CE1-CB 4.08Å; F148-L228 HydrophobicContact CE2-CB 3.45Å; F148-L228 VanDerWaalsContact CE2-CB 3.45Å; F148-L228 HydrophobicContact CE2-CD1 3.74Å; F148-L228 HydrophobicContact CE2-CG 4.26Å; F148-L228 HydrophobicContact CG-CB 3.87Å; F148-L228 HydrophobicContact CZ-CB 3.72Å; F148-Q229 VanDerWaalsContact CE1-CA 3.48Å; F148-Q229 HydrophobicContact CE1-CB 3.74Å; F148-Q229 HydrophobicContact CE1-CG 4.44Å; F148-Q229 HydrophobicContact CZ-CB 4.31Å; F148-E232 VanDerWaalsContact CA-OE2 3.31Å; F148-E232 WeakPolarHBondContact CA-OE2 3.41Å; F148-E232 HydrophobicContact CD1-CB 3.98Å; F148-E232 HydrophobicContact CD1-CG 4.27Å
149	P	98.4	Very high	98.1	Very high	68 Å²	68	51.2 Å²	51.2	44%	0.442	28%	0.284	S	S	.	.	H	α-helix	trans	-61.8	-29.7	-171.5	26.8	-35.6	0	0	0	113.2	A147 S153 E232	A147-P149 VanDerWaalsContact C-CD 3.4Å; A147-P149 WeakPolarHBondContact O-CD 3.27Å; P149-S153 VanDerWaalsContact O-CB 3.32Å; P149-S153 WeakPolarHBondContact O-CB 3.39Å; P149-S153 PolarHBondContact O-N 3.29Å; P149-S153 VanDerWaalsContact O-N 3.16Å; P149-S153 PolarHBondContact O-OG 2.97Å; P149-E232 WeakPolarHBondContact CD-OE1 3.29Å
150	T	98.4	Very high	98.1	Very high	38 Å²	38	48.3 Å²	48.3	23%	0.233	27%	0.27	C	S	.	.	H	α-helix	trans	-73.7	-40.1	176.8	-42.6	0	0	0	0	111.3	F148 F152 S153 S154 E232 L235 I236	F148-T150 PolarHBondContact O-N 3.13Å; T150-F152 VanDerWaalsContact C-N 3.3Å; T150-F152 PolarHBondContact O-N 2.79Å; T150-S153 PolarHBondContact O-N 3.09Å; T150-S154 WeakPolarHBondContact O-CB 3.41Å; T150-S154 PolarHBondContact O-N 3.44Å; T150-E232 WeakPolarHBondContact CA-OE2 3.39Å; T150-E232 VanDerWaalsContact CB-CD 3.42Å; T150-E232 WeakPolarHBondContact CB-OE1 3.41Å; T150-E232 VanDerWaalsContact CB-OE2 3.29Å; T150-E232 WeakPolarHBondContact CB-OE2 3.07Å; T150-E232 PolarHBondContact N-OE1 3.06Å; T150-E232 PolarHBondContact N-OE2 3.45Å; T150-E232 PolarHBondContact OG1-OE1 2.79Å; T150-L235 HydrophobicContact CG2-CB 3.69Å; T150-I236 HydrophobicContact CG2-CG1 4.24Å; T150-I236 WeakPolarHBondContact OG1-CG1 3.47Å
151	V	98.6	Very high	98.1	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.006	29%	0.288	C	S	.	.	H	α-helix	trans	-57.4	-43.4	173.2	177.1	0	0	0	0	111.1	F148 V157 F169 L228 L231 E232 L235	F148-V151 HydrophobicContact CB-CB 4.02Å; F148-V151 HydrophobicContact CB-CG2 4.05Å; F148-V151 PolarHBondContact O-N 2.98Å; F148-V151 VanDerWaalsContact O-N 3.16Å; V151-V157 HydrophobicContact CG1-CG1 4.33Å; V151-V157 WeakPolarHBondContact O-CB 3.32Å; V151-V157 WeakPolarHBondContact O-CG1 3.46Å; V151-F169 HydrophobicContact CG1-CD1 4.01Å; V151-F169 HydrophobicContact CG1-CE1 3.8Å; V151-L228 HydrophobicContact CG1-CD2 4.22Å; V151-L231 HydrophobicContact CG1-CD2 4.07Å; V151-L231 HydrophobicContact CG2-CB 4.08Å; V151-L231 HydrophobicContact CG2-CD2 4.1Å; V151-L231 HydrophobicContact CG2-CG 3.95Å; V151-E232 HydrophobicContact CG2-CB 4.05Å; V151-E232 WeakPolarHBondContact CG2-OE2 3.42Å; V151-E232 PolarHBondContact N-OE2 2.76Å; V151-L235 HydrophobicContact CG2-CD1 4.13Å
152	F	98.5	Very high	98	Very high	45 Å²	45	50.8 Å²	50.8	20%	0.197	28%	0.283	C	S	.	.	H	α-helix	trans	-82.8	-7.1	-178	-75.4	-84.5	0	0	0	115.2	L144 R145 F148 T150 H159 F169	L144-F152 VanDerWaalsContact C-CE2 3.47Å; L144-F152 HydrophobicContact CB-CE2 3.95Å; L144-F152 HydrophobicContact CB-CZ 4.02Å; L144-F152 WeakPolarHBondContact O-CE2 3.31Å; R145-F152 HydrophobicContact CB-CD2 4.47Å; R145-F152 HydrophobicContact CG-CD1 3.89Å; R145-F152 HydrophobicContact CG-CD2 4.22Å; R145-F152 HydrophobicContact CG-CE1 3.84Å; R145-F152 HydrophobicContact CG-CE2 4.21Å; R145-F152 HydrophobicContact CG-CG 4.06Å; R145-F152 HydrophobicContact CG-CZ 4Å; F148-F152 HydrophobicContact CB-CD2 4.37Å; F148-F152 HydrophobicContact CB-CE2 4.48Å; F148-F152 WeakPolarHBondContact O-CD2 3.39Å; F148-F152 PolarHBondContact O-N 3.19Å; T150-F152 VanDerWaalsContact C-N 3.3Å; T150-F152 PolarHBondContact O-N 2.79Å; F152-H159 HydrophobicContact CD1-CB 4.31Å; F152-H159 AromaticContact CD1-ND1 3.97Å; F152-H159 HydrophobicContact CE1-CB 4.4Å; F152-H159 AromaticContact CE1-CE1 3.85Å; F152-H159 AromaticContact CE1-CG 3.69Å; F152-H159 AromaticContact CE1-ND1 3.59Å; F152-F169 HydrophobicContact CD1-CE1 4.3Å; F152-F169 AromaticContact CE1-CE1 3.81Å; F152-F169 HydrophobicContact CE1-CE1 3.81Å; F152-F169 HydrophobicContact CE1-CZ 4.01Å; F152-F169 HydrophobicContact CE2-CE1 4.3Å; F152-F169 HydrophobicContact CE2-CZ 4.28Å; F152-F169 AromaticContact CZ-CE1 3.81Å; F152-F169 HydrophobicContact CZ-CE1 3.81Å; F152-F169 AromaticContact CZ-CZ 3.66Å; F152-F169 HydrophobicContact CZ-CZ 3.66Å
153	S	97.8	Very high	97.9	Very high	94 Å²	94	49.6 Å²	49.6	66%	0.657	27%	0.273	S	S	*	.	H	α-helix	trans	-121.9	-10.8	-180	63.6	0	0	0	0	115.2	P149 T150	P149-S153 VanDerWaalsContact O-CB 3.32Å; P149-S153 WeakPolarHBondContact O-CB 3.39Å; P149-S153 PolarHBondContact O-N 3.29Å; P149-S153 VanDerWaalsContact O-N 3.16Å; P149-S153 PolarHBondContact O-OG 2.97Å; T150-S153 PolarHBondContact O-N 3.09Å
154	S	97.1	Very high	97.8	Very high	24 Å²	24	54.6 Å²	54.6	17%	0.168	30%	0.301	C	S	.	.			trans	-67.5	131.6	-180	176	0	0	0	0	112.5	T150 V156 V157	T150-S154 WeakPolarHBondContact O-CB 3.41Å; T150-S154 PolarHBondContact O-N 3.44Å; S154-V156 PolarHBondContact O-N 2.9Å; S154-V156 VanDerWaalsContact O-N 3.14Å; S154-V156 WeakPolarHBondContact OG-CG2 3.49Å; S154-V157 PolarHBondContact O-N 2.71Å
155	S	94.6	Very high	97.7	Very high	128 Å²	128	56.8 Å²	56.8	90%	0.895	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-12.2	-178.3	56.2	0	0	0	0	115.1
156	V	95.3	Very high	97.7	Very high	40 Å²	40	52.1 Å²	52.1	24%	0.242	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-3.5	172.7	-61.2	0	0	0	0	113.4	S154 V171 Q172 L235	S154-V156 PolarHBondContact O-N 2.9Å; S154-V156 VanDerWaalsContact O-N 3.14Å; S154-V156 WeakPolarHBondContact OG-CG2 3.49Å; V156-V171 HydrophobicContact CG2-CG1 4.41Å; V156-V171 WeakPolarHBondContact O-CA 3.1Å; V156-Q172 PolarHBondContact O-N 2.92Å; V156-L235 HydrophobicContact CG2-CD2 3.91Å
157	V	98.2	Very high	97.7	Very high	21 Å²	21	44.5 Å²	44.5	13%	0.127	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	124.3	180	-172.6	0	0	0	0	110.1	V151 S154 F169 V171 L235	V151-V157 HydrophobicContact CG1-CG1 4.33Å; V151-V157 WeakPolarHBondContact O-CB 3.32Å; V151-V157 WeakPolarHBondContact O-CG1 3.46Å; S154-V157 PolarHBondContact O-N 2.71Å; V157-F169 HydrophobicContact CG1-CB 4.48Å; V157-F169 HydrophobicContact CG1-CD1 4.02Å; V157-V171 HydrophobicContact CG1-CG2 4.38Å; V157-V171 HydrophobicContact CG2-CG1 4.43Å; V157-V171 HydrophobicContact CG2-CG2 4.15Å; V157-L235 HydrophobicContact CG2-CD1 3.84Å
158	H	98.3	Very high	97.7	Very high	103 Å²	103	44 Å²	44	48%	0.477	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	112.9	168.6	176.9	-76.2	0	0	0	109.3	E160 F169 R170	H158-E160 IonicContact CE1-OE1 3.88Å; H158-E160 IonicContact ND1-OE1 3.82Å; H158-F169 CarbonylContact O-C 3.48Å; H158-F169 WeakPolarHBondContact O-CA 3.46Å; H158-R170 HydrophobicContact CB-CB 4.44Å; H158-R170 PolarHBondContact N-O 2.84Å; H158-R170 PolarHBondContact O-N 3.36Å
159	H	98.6	Very high	97.7	Very high	40 Å²	40	44 Å²	44	19%	0.185	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	138.2	173.6	174.2	-104.6	0	0	0	111.5	R145 F152 H167 L168 F169	R145-H159 PolarHBondContact NH2-CE1 2.78Å; R145-H159 VanDerWaalsContact NH2-CE1 3.32Å; F152-H159 HydrophobicContact CD1-CB 4.31Å; F152-H159 AromaticContact CD1-ND1 3.97Å; F152-H159 HydrophobicContact CE1-CB 4.4Å; F152-H159 AromaticContact CE1-CE1 3.85Å; F152-H159 AromaticContact CE1-CG 3.69Å; F152-H159 AromaticContact CE1-ND1 3.59Å; H159-H167 AromaticContact CD2-ND1 3.95Å; H159-H167 AromaticContact CE1-ND1 3.59Å; H159-H167 AromaticContact NE2-CG 3.55Å; H159-H167 AromaticContact NE2-ND1 3Å; H159-H167 PolarHBondContact NE2-ND1 3.5Å; H159-L168 WeakPolarHBondContact CA-O 3.11Å; H159-F169 HydrophobicContact CB-CD1 3.82Å; H159-F169 HydrophobicContact CB-CE1 3.94Å; H159-F169 AromaticContact CD2-CD1 3.67Å; H159-F169 AromaticContact CD2-CE1 3.4Å; H159-F169 WeakPolarHBondContact CD2-CE1 3.23Å; H159-F169 AromaticContact CD2-CE2 3.97Å; H159-F169 AromaticContact CD2-CZ 3.56Å; H159-F169 AromaticContact CG-CE1 3.8Å
160	E	98.2	Very high	97.7	Very high	43 Å²	43	46.1 Å²	46.1	20%	0.201	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	157.4	165.8	70.1	-159.9	109.1	0	0	112	H158 V162 L168 R271	H158-E160 IonicContact CE1-OE1 3.88Å; H158-E160 IonicContact ND1-OE1 3.82Å; E160-V162 HydrophobicContact CG-CG2 4.25Å; E160-L168 HydrophobicContact CG-CB 4.05Å; E160-L168 PolarHBondContact N-O 3.11Å; E160-L168 PolarHBondContact O-N 3Å; E160-R271 VanDerWaalsContact CD-NH2 3.28Å; E160-R271 IonicContact OE1-CZ 2.75Å; E160-R271 VanDerWaalsContact OE1-CZ 3.31Å; E160-R271 IonicContact OE1-NH1 3.89Å; E160-R271 PolarHBondContact OE1-NH1 3.29Å; E160-R271 IonicContact OE1-NH2 2.73Å; E160-R271 PolarHBondContact OE1-NH2 3.4Å; E160-R271 IonicContact OE2-CZ 3.55Å; E160-R271 IonicContact OE2-NH1 3.83Å; E160-R271 IonicContact OE2-NH2 3.38Å; E160-R271 PolarHBondContact OE2-NH2 3.16Å
161	L	98.5	Very high	97.7	Very high	74 Å²	74	44.4 Å²	44.4	39%	0.387	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	123	169.9	-69.7	175.1	0	0	0	110.2	S166	L161-S166 CarbonylContact C-O 3.58Å; L161-S166 WeakPolarHBondContact CA-O 3.35Å
162	V	98.3	Very high	97.6	Very high	6 Å²	6	48 Å²	48	4%	0.036	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	134.6	175.3	-179.2	0	0	0	0	108.5	E160 N164 Y165 S166 L168 N263 I264 V267	E160-V162 HydrophobicContact CG-CG2 4.25Å; V162-N164 PolarHBondContact O-N 2.69Å; V162-N164 VanDerWaalsContact O-N 3.09Å; V162-Y165 PolarHBondContact O-N 2.96Å; V162-S166 PolarHBondContact N-O 3.48Å; V162-S166 WeakPolarHBondContact O-CB 3.21Å; V162-S166 PolarHBondContact O-N 2.87Å; V162-L168 HydrophobicContact CG2-CB 3.81Å; V162-L168 HydrophobicContact CG2-CD2 4.31Å; V162-N263 HydrophobicContact CG1-CB 3.57Å; V162-I264 HydrophobicContact CB-CG1 4.15Å; V162-I264 HydrophobicContact CG1-CG1 4.1Å; V162-I264 HydrophobicContact CG2-CG1 4.27Å; V162-V267 HydrophobicContact CG1-CG2 4.42Å
163	A	95.9	Very high	97.5	Very high	33 Å²	33	46.1 Å²	46.1	27%	0.273	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.4	32.4	-176.8	0	0	0	0	0	114.3	Y165 H259 N263	A163-Y165 PolarHBondContact O-N 3.16Å; A163-H259 WeakPolarHBondContact CB-O 3.49Å; A163-N263 HydrophobicContact CB-CB 4.3Å
164	N	95.4	Very high	97.4	Very high	122 Å²	122	45.1 Å²	45.1	65%	0.652	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.6	-19.6	-177.9	-40.3	-81.4	0	0	0	117.1	V162	V162-N164 PolarHBondContact O-N 2.69Å; V162-N164 VanDerWaalsContact O-N 3.09Å
165	Y	97.5	Very high	97.3	Very high	45 Å²	45	46.8 Å²	46.8	18%	0.176	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-134	-29	-171	-52.5	-68.9	0	0	0	115	A134 L137 R138 V162 A163 H167 H251	A134-Y165 HydrophobicContact CB-CE1 4.25Å; L137-Y165 HydrophobicContact CB-CD1 3.72Å; L137-Y165 HydrophobicContact CB-CE1 4.3Å; L137-Y165 HydrophobicContact CB-CG 4.26Å; L137-Y165 HydrophobicContact CD1-CD1 4.14Å; L137-Y165 HydrophobicContact CD1-CD2 4.29Å; L137-Y165 HydrophobicContact CD1-CG 3.95Å; R138-Y165 HydrophobicContact CG-CE1 4.3Å; R138-Y165 VanDerWaalsContact NH1-CE1 3.34Å; R138-Y165 PolarHBondContact NH1-OH 2.89Å; V162-Y165 PolarHBondContact O-N 2.96Å; A163-Y165 PolarHBondContact O-N 3.16Å; Y165-H167 PolarHBondContact O-CD2 2.92Å; Y165-H251 AromaticContact CD2-CD2 3.93Å; Y165-H251 AromaticContact CD2-NE2 3.78Å
166	S	98.6	Very high	97	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	141.5	173.8	-95.3	0	0	0	0	110.4	L161 V162 L249 H251 G260	L161-S166 CarbonylContact C-O 3.58Å; L161-S166 WeakPolarHBondContact CA-O 3.35Å; V162-S166 PolarHBondContact N-O 3.48Å; V162-S166 WeakPolarHBondContact O-CB 3.21Å; V162-S166 PolarHBondContact O-N 2.87Å; S166-L249 VanDerWaalsContact CA-O 3.29Å; S166-L249 WeakPolarHBondContact CA-O 3.35Å; S166-L249 WeakPolarHBondContact CB-O 3.25Å; S166-L249 PolarHBondContact OG-O 2.91Å; S166-H251 PolarHBondContact N-ND1 3.4Å; S166-H251 PolarHBondContact OG-N 2.85Å; S166-H251 PolarHBondContact OG-ND1 3.3Å; S166-G260 WeakPolarHBondContact OG-CA 3.22Å
167	H	98.8	Very high	96.9	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	133.8	176.3	-61.8	-115.1	0	0	0	109.9	D141 H159 Y165 F169 L249	D141-H167 IonicContact OD1-CE1 2.75Å; D141-H167 PolarHBondContact OD1-CE1 2.78Å; D141-H167 IonicContact OD1-ND1 3.78Å; D141-H167 IonicContact OD1-NE2 3.02Å; H159-H167 AromaticContact CD2-ND1 3.95Å; H159-H167 AromaticContact CE1-ND1 3.59Å; H159-H167 AromaticContact NE2-CG 3.55Å; H159-H167 AromaticContact NE2-ND1 3Å; H159-H167 PolarHBondContact NE2-ND1 3.5Å; Y165-H167 PolarHBondContact O-CD2 2.92Å; H167-F169 HydrophobicContact CB-CD2 4.29Å; H167-F169 HydrophobicContact CB-CE2 3.62Å; H167-F169 HydrophobicContact CB-CZ 4.23Å; H167-L249 HydrophobicContact CB-CB 4.05Å; H167-L249 HydrophobicContact CB-CD1 3.96Å; H167-L249 HydrophobicContact CB-CG 4.12Å; H167-L249 PolarHBondContact N-O 2.64Å; H167-L249 PolarHBondContact O-N 3.14Å
168	L	98.9	Very high	96.8	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	117	166.9	178.9	58.7	0	0	0	108.9	H159 E160 V162 Y246 I264 V267 M268	H159-L168 WeakPolarHBondContact CA-O 3.11Å; E160-L168 HydrophobicContact CG-CB 4.05Å; E160-L168 PolarHBondContact N-O 3.11Å; E160-L168 PolarHBondContact O-N 3Å; V162-L168 HydrophobicContact CG2-CB 3.81Å; V162-L168 HydrophobicContact CG2-CD2 4.31Å; L168-Y246 HydrophobicContact CD1-CD1 4.08Å; L168-I264 HydrophobicContact CD1-CG2 4.04Å; L168-I264 HydrophobicContact CD2-CG2 4.47Å; L168-V267 HydrophobicContact CD2-CG1 4.15Å; L168-M268 HydrophobicContact CD1-SD 4.39Å; L168-M268 HydrophobicContact CD2-CG 4.34Å
169	F	98.8	Very high	96.8	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	137.9	170.5	-53.6	-99.1	0	0	0	109.2	V151 F152 V157 H158 H159 H167 L228 Y246 I247 L249	V151-F169 HydrophobicContact CG1-CD1 4.01Å; V151-F169 HydrophobicContact CG1-CE1 3.8Å; F152-F169 HydrophobicContact CD1-CE1 4.3Å; F152-F169 AromaticContact CE1-CE1 3.81Å; F152-F169 HydrophobicContact CE1-CE1 3.81Å; F152-F169 HydrophobicContact CE1-CZ 4.01Å; F152-F169 HydrophobicContact CE2-CE1 4.3Å; F152-F169 HydrophobicContact CE2-CZ 4.28Å; F152-F169 AromaticContact CZ-CE1 3.81Å; F152-F169 HydrophobicContact CZ-CE1 3.81Å; F152-F169 AromaticContact CZ-CZ 3.66Å; F152-F169 HydrophobicContact CZ-CZ 3.66Å; V157-F169 HydrophobicContact CG1-CB 4.48Å; V157-F169 HydrophobicContact CG1-CD1 4.02Å; H158-F169 CarbonylContact O-C 3.48Å; H158-F169 WeakPolarHBondContact O-CA 3.46Å; H159-F169 HydrophobicContact CB-CD1 3.82Å; H159-F169 HydrophobicContact CB-CE1 3.94Å; H159-F169 AromaticContact CD2-CD1 3.67Å; H159-F169 AromaticContact CD2-CE1 3.4Å; H159-F169 WeakPolarHBondContact CD2-CE1 3.23Å; H159-F169 AromaticContact CD2-CE2 3.97Å; H159-F169 AromaticContact CD2-CZ 3.56Å; H159-F169 AromaticContact CG-CE1 3.8Å; H167-F169 HydrophobicContact CB-CD2 4.29Å; H167-F169 HydrophobicContact CB-CE2 3.62Å; H167-F169 HydrophobicContact CB-CZ 4.23Å; F169-L228 HydrophobicContact CE1-CD2 4.42Å; F169-L228 HydrophobicContact CE2-CD2 3.95Å; F169-L228 HydrophobicContact CZ-CD2 3.9Å; F169-Y246 CarbonylContact O-C 3.56Å; F169-Y246 VanDerWaalsContact O-CA 3.22Å; F169-Y246 WeakPolarHBondContact O-CA 3.43Å; F169-I247 HydrophobicContact CB-CB 4.15Å; F169-I247 HydrophobicContact CD2-CB 4.02Å; F169-I247 HydrophobicContact CD2-CG2 4.21Å; F169-I247 HydrophobicContact CG-CB 4.48Å; F169-I247 PolarHBondContact N-O 3.32Å; F169-I247 PolarHBondContact O-N 3.21Å; F169-L249 HydrophobicContact CE2-CD1 4Å; F169-L249 HydrophobicContact CE2-CG 4.4Å
170	R	98.6	Very high	96.8	Very high	112 Å²	112	49 Å²	49	42%	0.423	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	123.6	164.5	172.4	-178.3	161.1	178	-5	108.1	H158 Y246	H158-R170 HydrophobicContact CB-CB 4.44Å; H158-R170 PolarHBondContact N-O 2.84Å; H158-R170 PolarHBondContact O-N 3.36Å; R170-Y246 HydrophobicContact CB-CD1 3.83Å; R170-Y246 HydrophobicContact CB-CE1 3.62Å; R170-Y246 HydrophobicContact CG-CD1 4.25Å; R170-Y246 HydrophobicContact CG-CE1 3.71Å
171	V	98.3	Very high	96.8	Very high	2 Å²	2	47 Å²	47	1%	0.012	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	122.7	173.5	-170.5	0	0	0	0	109.1	V156 V157 G173 L231 P241 G244 F245	V156-V171 HydrophobicContact CG2-CG1 4.41Å; V156-V171 WeakPolarHBondContact O-CA 3.1Å; V157-V171 HydrophobicContact CG1-CG2 4.38Å; V157-V171 HydrophobicContact CG2-CG1 4.43Å; V157-V171 HydrophobicContact CG2-CG2 4.15Å; V171-G173 PolarHBondContact O-N 3.08Å; V171-L231 HydrophobicContact CG2-CD2 4.03Å; V171-P241 HydrophobicContact CG1-CG 3.92Å; V171-G244 WeakPolarHBondContact O-CA 3.33Å; V171-F245 HydrophobicContact CB-CD1 4.19Å; V171-F245 HydrophobicContact CB-CD2 4.05Å; V171-F245 HydrophobicContact CB-CE1 3.83Å; V171-F245 HydrophobicContact CB-CE2 3.65Å; V171-F245 HydrophobicContact CB-CG 4.3Å; V171-F245 HydrophobicContact CB-CZ 3.54Å; V171-F245 HydrophobicContact CG1-CE1 3.9Å; V171-F245 HydrophobicContact CG1-CE2 4.36Å; V171-F245 HydrophobicContact CG1-CZ 3.75Å; V171-F245 HydrophobicContact CG2-CD2 3.96Å; V171-F245 HydrophobicContact CG2-CE1 4.34Å; V171-F245 HydrophobicContact CG2-CE2 3.3Å; V171-F245 HydrophobicContact CG2-CZ 3.53Å; V171-F245 PolarHBondContact N-O 3.04Å; V171-F245 PolarHBondContact O-N 2.81Å; V171-F245 VanDerWaalsContact O-N 3.11Å
172	Q	95.9	Very high	96.8	Very high	77 Å²	77	43.4 Å²	43.4	36%	0.36	24%	0.237	S	C	.	.			trans	-79.8	116.4	-174.2	-176.2	55	54.5	0	0	111.3	V156	V156-Q172 PolarHBondContact O-N 2.92Å
173	G	95.8	Very high	96.8	Very high	5 Å²	5	43.2 Å²	43.2	5%	0.052	24%	0.236	C	C	.	.			trans	-74.7	149.5	171.5	0	0	0	0	0	112.6	V171 Q175	V171-G173 PolarHBondContact O-N 3.08Å; G173-Q175 VanDerWaalsContact C-N 3.28Å; G173-Q175 PolarHBondContact O-N 2.7Å
174	S	95.1	Very high	97	Very high	73 Å²	73	41.9 Å²	41.9	51%	0.51	22%	0.224	S	C	.	.	S	Bend	trans	-75.7	-10.8	175.4	54.3	0	0	0	0	114.1	P241 R242	S174-P241 WeakPolarHBondContact CB-O 3.19Å; S174-P241 PolarHBondContact N-O 3.12Å; S174-P241 PolarHBondContact OG-O 2.86Å; S174-R242 PolarHBondContact N-O 2.96Å; S174-R242 WeakPolarHBondContact OG-CA 3.33Å
175	Q	95.1	Very high	97.1	Very high	58 Å²	58	36.1 Å²	36.1	27%	0.271	19%	0.194	S	C	.	.			trans	-120.3	93.2	172.5	-60.2	-167.2	-13.2	0	0	109.6	G173 D177 L178 R242	G173-Q175 VanDerWaalsContact C-N 3.28Å; G173-Q175 PolarHBondContact O-N 2.7Å; Q175-D177 PolarHBondContact O-N 3.36Å; Q175-L178 HydrophobicContact CB-CD1 3.93Å; Q175-L178 HydrophobicContact CB-CG 3.9Å; Q175-L178 WeakPolarHBondContact O-CB 3.16Å; Q175-L178 PolarHBondContact O-N 3.49Å; Q175-L178 VanDerWaalsContact O-N 3.15Å; Q175-R242 HydrophobicContact CG-CB 4.46Å; Q175-R242 PolarHBondContact N-O 2.94Å
176	P	90.1	Very high	97.2	Very high	101 Å²	101	34 Å²	34	66%	0.656	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-20.5	-171.7	28.1	-35.7	0	0	0	113.9	L178	P176-L178 PolarHBondContact O-N 3.3Å
177	D	93.1	Very high	97.1	Very high	153 Å²	153	34 Å²	34	82%	0.818	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-14.1	176.6	-50.6	-51.6	0	0	0	112.9	Q175 V179	Q175-D177 PolarHBondContact O-N 3.36Å; D177-V179 PolarHBondContact O-N 2.83Å
178	L	95.9	Very high	97.1	Very high	27 Å²	27	34 Å²	34	14%	0.141	19%	0.186	C	C	.	.	S	Bend	trans	-78.2	109.1	173.7	-64.7	-174.1	0	0	0	109.7	Q175 P176 R242 R243 Q554	Q175-L178 HydrophobicContact CB-CD1 3.93Å; Q175-L178 HydrophobicContact CB-CG 3.9Å; Q175-L178 WeakPolarHBondContact O-CB 3.16Å; Q175-L178 PolarHBondContact O-N 3.49Å; Q175-L178 VanDerWaalsContact O-N 3.15Å; P176-L178 PolarHBondContact O-N 3.3Å; L178-R242 HydrophobicContact CD1-CB 4.34Å; L178-R243 HydrophobicContact CB-CB 4.31Å; L178-R243 HydrophobicContact CB-CG 4.1Å; L178-R243 HydrophobicContact CD1-CB 4.11Å; L178-Q554 HydrophobicContact CD1-CG 4.43Å; L178-Q554 HydrophobicContact CD2-CG 4.42Å
179	V	97	Very high	97.1	Very high	69 Å²	69	34 Å²	34	42%	0.418	19%	0.186	S	C	.	.			trans	-49.2	125.6	175.3	-173.3	0	0	0	0	109.7	D177 R243 S276	D177-V179 PolarHBondContact O-N 2.83Å; V179-R243 PolarHBondContact O-NH1 2.83Å; V179-S276 PolarHBondContact O-OG 3.48Å
180	P	98.1	Very high	96.9	Very high	29 Å²	29	35.1 Å²	35.1	19%	0.188	19%	0.193	C	C	.	.			trans	-76.4	162.3	-174.1	31.3	-36.4	0	0	0	112.1	G244 Y246 L275 S276	P180-G244 WeakPolarHBondContact CA-O 3.48Å; P180-G244 WeakPolarHBondContact CB-O 3.35Å; P180-Y246 HydrophobicContact CB-CD2 4.36Å; P180-Y246 HydrophobicContact CB-CE2 4.2Å; P180-Y246 HydrophobicContact CG-CD2 4.48Å; P180-Y246 HydrophobicContact CG-CE2 3.97Å; P180-L275 HydrophobicContact CG-CD2 4.38Å; P180-L275 CarbonylContact O-C 3.59Å; P180-L275 WeakPolarHBondContact O-CA 3.35Å; P180-S276 PolarHBondContact O-N 3.12Å; P180-S276 PolarHBondContact O-OG 2.92Å
181	Y	98.7	Very high	96.8	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	172.4	170.6	60.2	-80	0	0	0	111	L183 R243 F245 Y246 F277 F548 C551	Y181-L183 HydrophobicContact CD2-CD2 4.01Å; Y181-L183 HydrophobicContact CD2-CG 4.31Å; Y181-L183 HydrophobicContact CE2-CD2 4.04Å; Y181-L183 HydrophobicContact CE2-CG 4.12Å; Y181-R243 HydrophobicContact CD1-CG 4.08Å; Y181-R243 HydrophobicContact CE1-CB 4.49Å; Y181-R243 HydrophobicContact CE1-CG 4.19Å; Y181-F245 HydrophobicContact CD1-CB 3.85Å; Y181-F245 HydrophobicContact CD2-CB 3.99Å; Y181-F245 HydrophobicContact CE1-CB 3.58Å; Y181-F245 HydrophobicContact CE1-CD1 4.11Å; Y181-F245 HydrophobicContact CE1-CG 4.16Å; Y181-F245 HydrophobicContact CE2-CB 3.73Å; Y181-F245 HydrophobicContact CE2-CG 4.11Å; Y181-F245 HydrophobicContact CG-CB 4.04Å; Y181-F245 AromaticContact CZ-CD1 3.82Å; Y181-F245 AromaticContact CZ-CG 3.76Å; Y181-F245 CarbonylContact O-C 3.1Å; Y181-F245 VanDerWaalsContact O-CA 3.28Å; Y181-F245 WeakPolarHBondContact O-CA 3.43Å; Y181-F245 WeakPolarHBondContact O-CB 3.36Å; Y181-F245 WeakPolarHBondContact OH-CD1 3.47Å; Y181-Y246 PolarHBondContact O-N 3.5Å; Y181-F277 WeakPolarHBondContact CA-O 3.39Å; Y181-F277 HydrophobicContact CD1-CE1 4.2Å; Y181-F277 HydrophobicContact CD1-CZ 4.43Å; Y181-F277 HydrophobicContact CD2-CE1 4.15Å; Y181-F277 HydrophobicContact CD2-CE2 4.16Å; Y181-F277 AromaticContact CD2-CZ 3.63Å; Y181-F277 HydrophobicContact CD2-CZ 3.63Å; Y181-F277 HydrophobicContact CE2-CZ 4.38Å; Y181-F277 HydrophobicContact CG-CD1 4.41Å; Y181-F277 AromaticContact CG-CE1 3.67Å; Y181-F277 HydrophobicContact CG-CE1 3.67Å; Y181-F277 HydrophobicContact CG-CE2 4.4Å; Y181-F277 AromaticContact CG-CZ 3.65Å; Y181-F277 HydrophobicContact CG-CZ 3.65Å; Y181-F548 WeakPolarHBondContact OH-CD1 3.5Å; Y181-C551 HydrophobicContact CD1-CB 4.09Å; Y181-C551 HydrophobicContact CE1-CB 3.32Å; Y181-C551 HydrophobicContact CE2-CB 4.47Å; Y181-C551 VanDerWaalsContact CZ-SG 3.52Å
182	L	98.8	Very high	96.7	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	133.4	176.4	171.1	67	0	0	0	109.6	L184 Y246 M268 L275 F277 V278 L279 F502	L182-L184 HydrophobicContact CD1-CD2 4.13Å; L182-L184 HydrophobicContact CD2-CD1 4.29Å; L182-L184 HydrophobicContact CD2-CD2 3.89Å; L182-L184 HydrophobicContact CD2-CG 3.98Å; L182-L184 HydrophobicContact CG-CD2 4.08Å; L182-L184 HydrophobicContact CG-CG 4.04Å; L182-Y246 WeakPolarHBondContact CA-O 3.42Å; L182-M268 HydrophobicContact CD2-CE 4.38Å; L182-M268 HydrophobicContact CD2-SD 4.47Å; L182-L275 HydrophobicContact CB-CD1 3.67Å; L182-L275 HydrophobicContact CB-CD2 4.06Å; L182-L275 HydrophobicContact CB-CG 4.46Å; L182-L275 HydrophobicContact CD2-CD1 3.81Å; L182-L275 HydrophobicContact CG-CD1 4.41Å; L182-F277 PolarHBondContact N-O 3.45Å; L182-F277 VanDerWaalsContact N-O 3.12Å; L182-V278 HydrophobicContact CB-CG2 4.41Å; L182-V278 HydrophobicContact CD2-CG1 4.12Å; L182-V278 HydrophobicContact CD2-CG2 4.21Å; L182-V278 HydrophobicContact CG-CG1 4.34Å; L182-V278 WeakPolarHBondContact O-CA 3.4Å; L182-L279 PolarHBondContact O-N 2.95Å; L182-F502 HydrophobicContact CD2-CD1 3.31Å; L182-F502 HydrophobicContact CD2-CE1 3.33Å; L182-F502 HydrophobicContact CD2-CG 4.21Å; L182-F502 HydrophobicContact CD2-CZ 4.21Å
183	L	98.9	Very high	96.5	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	135.3	162.4	-53.3	-176.7	0	0	0	108.9	Y181 I227 Y246 I247 G248 L279 Y544 L547 F548	Y181-L183 HydrophobicContact CD2-CD2 4.01Å; Y181-L183 HydrophobicContact CD2-CG 4.31Å; Y181-L183 HydrophobicContact CE2-CD2 4.04Å; Y181-L183 HydrophobicContact CE2-CG 4.12Å; L183-I227 HydrophobicContact CB-CD1 4.16Å; L183-I227 HydrophobicContact CD1-CG1 4.34Å; L183-I227 HydrophobicContact CD1-CG2 4.04Å; L183-Y246 PolarHBondContact N-O 3.29Å; L183-I247 HydrophobicContact CB-CG1 4.45Å; L183-I247 WeakPolarHBondContact O-CA 3.24Å; L183-G248 PolarHBondContact O-N 2.96Å; L183-L279 CarbonylContact C-O 3.59Å; L183-L279 WeakPolarHBondContact CA-O 3.46Å; L183-L279 HydrophobicContact CD2-CB 3.96Å; L183-L279 HydrophobicContact CD2-CD2 4.15Å; L183-L279 HydrophobicContact CD2-CG 4.47Å; L183-Y544 HydrophobicContact CD1-CD1 4.25Å; L183-L547 HydrophobicContact CD2-CD2 3.87Å; L183-F548 HydrophobicContact CD1-CD1 4.41Å; L183-F548 HydrophobicContact CD1-CE1 3.56Å; L183-F548 HydrophobicContact CD1-CZ 3.73Å
184	L	98.7	Very high	96.2	Very high	5 Å²	5	41.9 Å²	41.9	3%	0.026	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	156.3	174.4	-70.7	177.5	0	0	0	111.1	L182 G248 V278 L279 D280 F502	L182-L184 HydrophobicContact CD1-CD2 4.13Å; L182-L184 HydrophobicContact CD2-CD1 4.29Å; L182-L184 HydrophobicContact CD2-CD2 3.89Å; L182-L184 HydrophobicContact CD2-CG 3.98Å; L182-L184 HydrophobicContact CG-CD2 4.08Å; L182-L184 HydrophobicContact CG-CG 4.04Å; L184-G248 WeakPolarHBondContact CA-O 3.37Å; L184-G248 WeakPolarHBondContact CD2-O 3.32Å; L184-V278 HydrophobicContact CD1-CG1 3.61Å; L184-V278 HydrophobicContact CG-CG1 4.03Å; L184-L279 PolarHBondContact N-O 2.96Å; L184-D280 HydrophobicContact CB-CB 4.2Å; L184-D280 WeakPolarHBondContact CB-OD1 3.38Å; L184-F502 HydrophobicContact CD1-CD2 3.71Å; L184-F502 HydrophobicContact CD1-CE2 3.59Å; L184-F502 HydrophobicContact CD1-CG 4.19Å; L184-F502 HydrophobicContact CD1-CZ 4.05Å; L184-F502 HydrophobicContact CD2-CE1 4.16Å; L184-F502 HydrophobicContact CD2-CE2 3.97Å; L184-F502 HydrophobicContact CD2-CZ 3.64Å; L184-F502 HydrophobicContact CG-CE2 4.45Å; L184-F502 HydrophobicContact CG-CZ 4.47Å
185	A	98.5	Very high	96	Very high	2 Å²	2	43.1 Å²	43.1	2%	0.017	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.9	165.1	172.1	0	0	0	0	0	108.4	D220 A223 V224 I227 G248 L249 G250	A185-D220 WeakPolarHBondContact CA-OD2 3.29Å; A185-D220 WeakPolarHBondContact CB-OD2 3.2Å; A185-A223 HydrophobicContact CB-CB 4Å; A185-V224 HydrophobicContact CB-CB 4.42Å; A185-V224 HydrophobicContact CB-CG2 3.63Å; A185-I227 HydrophobicContact CB-CD1 4.11Å; A185-G248 PolarHBondContact N-O 3.43Å; A185-L249 HydrophobicContact CB-CD2 3.95Å; A185-L249 CarbonylContact O-C 3.54Å; A185-L249 VanDerWaalsContact O-CA 3.32Å; A185-L249 WeakPolarHBondContact O-CA 3.38Å; A185-G250 PolarHBondContact O-N 3.14Å
186	H	98.6	Very high	95.8	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	145.3	174.8	75.3	80.4	0	0	0	113.9	D188 D219 D220 V224 E253 E281	H186-D188 PolarHBondContact CE1-O 2.88Å; H186-D188 PolarHBondContact ND1-O 2.84Å; H186-D188 VanDerWaalsContact ND1-O 3.09Å; H186-D188 IonicContact ND1-OD1 3.1Å; H186-D219 IonicContact CE1-OD1 3.73Å; H186-D219 IonicContact NE2-OD1 3.75Å; H186-D219 PolarHBondContact NE2-OD1 2.9Å; H186-D219 VanDerWaalsContact NE2-OD1 3.16Å; H186-D220 PolarHBondContact N-OD2 2.78Å; H186-D220 WeakPolarHBondContact NE2-CB 3.48Å; H186-V224 WeakPolarHBondContact O-CG2 2.92Å; H186-E253 HydrophobicContact CB-CB 3.69Å; H186-E253 HydrophobicContact CB-CG 4.46Å; H186-E281 IonicContact CD2-OE1 3.64Å; H186-E281 IonicContact CD2-OE2 3.13Å; H186-E281 PolarHBondContact CD2-OE2 3.47Å; H186-E281 IonicContact NE2-OE2 2.75Å; H186-E281 PolarHBondContact NE2-OE2 2.86Å
187	I	98.4	Very high	95.9	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.242	C	C	.	.			trans	-97.2	-14.5	-175.7	79	-176.5	0	0	0	113.6	T124 L137 F140 K221 V224 L249 G250 H251	T124-I187 VanDerWaalsContact CB-O 3.26Å; T124-I187 WeakPolarHBondContact CB-O 3.44Å; T124-I187 PolarHBondContact OG1-O 3.47Å; L137-I187 HydrophobicContact CD2-CD1 3.84Å; L137-I187 HydrophobicContact CD2-CG1 3.86Å; F140-I187 HydrophobicContact CD1-CB 3.92Å; F140-I187 HydrophobicContact CD1-CD1 4.13Å; F140-I187 HydrophobicContact CD1-CG1 4.44Å; F140-I187 HydrophobicContact CD1-CG2 4.19Å; F140-I187 HydrophobicContact CE1-CB 3.73Å; F140-I187 HydrophobicContact CE1-CG2 3.81Å; I187-K221 VanDerWaalsContact O-CE 3.26Å; I187-K221 WeakPolarHBondContact O-CE 3.19Å; I187-V224 HydrophobicContact CG2-CG1 4.16Å; I187-V224 HydrophobicContact CG2-CG2 4.07Å; I187-L249 HydrophobicContact CG2-CB 3.88Å; I187-L249 HydrophobicContact CG2-CD1 4.19Å; I187-G250 WeakPolarHBondContact CG1-O 3.44Å; I187-G250 PolarHBondContact N-O 3.03Å; I187-H251 HydrophobicContact CD1-CB 4.06Å; I187-H251 HydrophobicContact CG1-CB 4.01Å
188	D	98.2	Very high	96	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.207	C	C	.	.			trans	-85.2	-179.7	176.9	64.3	-59.2	0	0	0	112.1	T124 S126 H186 H251 D252 E253	T124-D188 WeakPolarHBondContact O-CA 3.21Å; T124-D188 VanDerWaalsContact O-CB 3.31Å; T124-D188 WeakPolarHBondContact O-CB 3.28Å; S126-D188 WeakPolarHBondContact CB-OD2 3.49Å; S126-D188 WeakPolarHBondContact OG-CB 3.23Å; S126-D188 PolarHBondContact OG-OD2 3.23Å; H186-D188 PolarHBondContact CE1-O 2.88Å; H186-D188 PolarHBondContact ND1-O 2.84Å; H186-D188 VanDerWaalsContact ND1-O 3.09Å; H186-D188 IonicContact ND1-OD1 3.1Å; D188-H251 WeakPolarHBondContact OD1-CA 3.37Å; D188-D252 VanDerWaalsContact CG-N 3.31Å; D188-D252 PolarHBondContact OD1-N 2.9Å; D188-D252 WeakPolarHBondContact OD2-CA 3.49Å; D188-D252 PolarHBondContact OD2-N 3.35Å; D188-E253 PolarHBondContact OD1-N 2.85Å; D188-E253 VanDerWaalsContact OD1-N 3.15Å; D188-E253 PolarHBondContact OD2-N 3.14Å
189	V	97.9	Very high	95.9	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-160.8	151.6	-176.6	-73.9	0	0	0	0	110.6	T124 V125 S126 F203 R215 E254	T124-V189 PolarHBondContact O-N 2.97Å; V125-V189 WeakPolarHBondContact CA-O 3.4Å; V125-V189 HydrophobicContact CG2-CG2 4.1Å; S126-V189 PolarHBondContact N-O 3.07Å; V189-F203 HydrophobicContact CG2-CE1 4.14Å; V189-F203 HydrophobicContact CG2-CZ 4.49Å; V189-R215 HydrophobicContact CB-CG 3.63Å; V189-R215 HydrophobicContact CG1-CG 3.89Å; V189-R215 HydrophobicContact CG2-CG 3.93Å; V189-E254 WeakPolarHBondContact CA-OE1 3.05Å
190	V	96.2	Very high	95.8	Very high	24 Å²	24	36.1 Å²	36.1	15%	0.145	21%	0.205	C	C	.	.			trans	-63.7	156.7	170.4	-67	0	0	0	0	111.8	R215 E254 H526	V190-R215 PolarHBondContact O-NE 2.76Å; V190-E254 HydrophobicContact CG1-CB 4.39Å; V190-E254 HydrophobicContact CG1-CG 4.38Å; V190-E254 VanDerWaalsContact CG1-OE1 3.3Å; V190-E254 WeakPolarHBondContact CG1-OE1 3.07Å; V190-E254 WeakPolarHBondContact CG1-OE2 3.2Å; V190-E254 PolarHBondContact N-OE1 2.93Å; V190-H526 HydrophobicContact CG1-CB 4.28Å; V190-H526 WeakPolarHBondContact CG1-ND1 3.33Å; V190-H526 HydrophobicContact CG2-CB 4Å
191	P	95.4	Very high	95.8	Very high	59 Å²	59	37.1 Å²	37.1	38%	0.383	21%	0.211	S	C	.	.			trans	-55.4	142.3	170.7	-24	35	0	0	0	112.7	V125 S126 F127	V125-P191 HydrophobicContact CG1-CB 4.07Å; V125-P191 HydrophobicContact CG1-CG 3.7Å; S126-P191 WeakPolarHBondContact O-CD 3.35Å; F127-P191 HydrophobicContact CD1-CB 4.47Å; F127-P191 HydrophobicContact CD1-CG 3.76Å; F127-P191 HydrophobicContact CE1-CB 4.36Å; F127-P191 HydrophobicContact CE1-CG 4.09Å
192	A	95.3	Very high	95.7	Very high	9 Å²	9	37.3 Å²	37.3	7%	0.074	21%	0.213	C	C	.	.			trans	-148.9	141.4	170.5	0	0	0	0	0	109.2	W198 P202 R215	A192-W198 HydrophobicContact CB-CZ2 3.83Å; A192-P202 HydrophobicContact CB-CB 3.57Å; A192-P202 HydrophobicContact CB-CG 3.76Å; A192-R215 HydrophobicContact CB-CB 4.26Å; A192-R215 HydrophobicContact CB-CG 4.42Å
193	K	92.4	Very high	95.7	Very high	130 Å²	130	39.6 Å²	39.6	57%	0.565	22%	0.223	S	C	*	.			trans	-135.1	153.9	-178.6	-58.6	167.5	-174.4	167.6	0	110.6	S195 D196	K193-S195 VanDerWaalsContact CB-OG 3.22Å; K193-S195 WeakPolarHBondContact CB-OG 3.2Å; K193-S195 PolarHBondContact O-N 3.3Å; K193-D196 PolarHBondContact N-OD2 2.77Å; K193-D196 WeakPolarHBondContact O-CB 3.43Å; K193-D196 VanDerWaalsContact O-CG 3.24Å; K193-D196 PolarHBondContact O-N 3.46Å; K193-D196 VanDerWaalsContact O-N 3.11Å
194	E	89.5	Confident	95.6	Very high	139 Å²	139	41.3 Å²	41.3	65%	0.65	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-59.6	-30.2	174.7	-63.3	-179.7	-170.9	0	0	112.4	D196 P201	E194-D196 PolarHBondContact O-N 2.87Å; E194-D196 VanDerWaalsContact O-N 3.12Å; E194-P201 HydrophobicContact CG-CB 3.83Å; E194-P201 HydrophobicContact CG-CG 4.17Å; E194-P201 WeakPolarHBondContact OE1-CB 3.16Å
195	S	91.8	Very high	95.6	Very high	100 Å²	100	41.2 Å²	41.2	70%	0.699	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-58.1	-20.4	175.2	50.2	0	0	0	0	114.7	K193 G197	K193-S195 VanDerWaalsContact CB-OG 3.22Å; K193-S195 WeakPolarHBondContact CB-OG 3.2Å; K193-S195 PolarHBondContact O-N 3.3Å; S195-G197 PolarHBondContact O-N 2.88Å
196	D	90.2	Very high	95.6	Very high	76 Å²	76	45.8 Å²	45.8	41%	0.406	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-84.4	-2.1	-167.8	-47.3	-18.8	0	0	0	111.8	K193 E194 I528	K193-D196 PolarHBondContact N-OD2 2.77Å; K193-D196 WeakPolarHBondContact O-CB 3.43Å; K193-D196 VanDerWaalsContact O-CG 3.24Å; K193-D196 PolarHBondContact O-N 3.46Å; K193-D196 VanDerWaalsContact O-N 3.11Å; E194-D196 PolarHBondContact O-N 2.87Å; E194-D196 VanDerWaalsContact O-N 3.12Å; D196-I528 HydrophobicContact CB-CG2 4.22Å
197	G	92.5	Very high	95.5	Very high	52 Å²	52	49.5 Å²	49.5	54%	0.536	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	99.4	27.8	174.7	0	0	0	0	0	115.1	S195	S195-G197 PolarHBondContact O-N 2.88Å
198	W	95.3	Very high	95.5	Very high	26 Å²	26	51.2 Å²	51.2	10%	0.098	28%	0.28	C	S	.	.			trans	-74	142.9	-178.1	-70	68.4	0	0	0	113.7	A192 A200 P202 R215 G527 I528 N529 E530	A192-W198 HydrophobicContact CB-CZ2 3.83Å; W198-A200 WeakPolarHBondContact CB-O 3.23Å; W198-A200 PolarHBondContact O-N 3.11Å; W198-P202 HydrophobicContact CD2-CB 4.03Å; W198-P202 HydrophobicContact CE3-CB 4.16Å; W198-P202 HydrophobicContact CH2-CB 4.07Å; W198-P202 HydrophobicContact CZ2-CB 3.93Å; W198-P202 HydrophobicContact CZ3-CB 4.18Å; W198-R215 HydrophobicContact CH2-CB 4.32Å; W198-G527 VanDerWaalsContact CZ2-O 3.32Å; W198-G527 WeakPolarHBondContact CZ2-O 3.28Å; W198-I528 HydrophobicContact CD2-CB 4.48Å; W198-I528 HydrophobicContact CG-CB 4.48Å; W198-N529 WeakPolarHBondContact CA-OD1 3.42Å; W198-N529 VanDerWaalsContact CE3-N 3.32Å; W198-E530 HydrophobicContact CH2-CB 3.69Å; W198-E530 HydrophobicContact CZ3-CB 4.05Å
199	E	94.4	Very high	95.2	Very high	104 Å²	104	58.1 Å²	58.1	49%	0.486	32%	0.317	S	S	.	.	S	Bend	trans	-67.6	-19.1	170.5	-73.5	161.8	-137.4	0	0	112.9	Y213 N529	E199-Y213 HydrophobicContact CB-CD1 4.37Å; E199-Y213 HydrophobicContact CB-CE1 3.92Å; E199-Y213 HydrophobicContact CG-CE1 4.49Å; E199-Y213 WeakPolarHBondContact OE2-CE1 3.47Å; E199-Y213 PolarHBondContact OE2-OH 3.19Å; E199-N529 VanDerWaalsContact CD-ND2 3.26Å; E199-N529 WeakPolarHBondContact CG-ND2 3.28Å; E199-N529 PolarHBondContact N-OD1 2.83Å; E199-N529 PolarHBondContact OE1-ND2 3.39Å
200	A	95.1	Very high	95.1	Very high	2 Å²	2	63.2 Å²	63.2	2%	0.017	34%	0.344	C	S	.	.	S	Bend	trans	-150.2	139.6	178	0	0	0	0	0	109.6	W198 K206 I208 Y213	W198-A200 WeakPolarHBondContact CB-O 3.23Å; W198-A200 PolarHBondContact O-N 3.11Å; A200-K206 HydrophobicContact CB-CB 3.92Å; A200-K206 HydrophobicContact CB-CD 3.74Å; A200-K206 HydrophobicContact CB-CG 4.39Å; A200-I208 HydrophobicContact CB-CD1 4.27Å; A200-Y213 HydrophobicContact CB-CD1 4.38Å; A200-Y213 HydrophobicContact CB-CG 4.35Å
201	P	97.2	Very high	95.2	Very high	51 Å²	51	64.7 Å²	64.7	33%	0.331	35%	0.349	S	S	.	.			trans	-53.1	132.3	177.1	-28.9	36.4	0	0	0	112	E194 F203 S204	E194-P201 HydrophobicContact CG-CB 3.83Å; E194-P201 HydrophobicContact CG-CG 4.17Å; E194-P201 WeakPolarHBondContact OE1-CB 3.16Å; P201-F203 PolarHBondContact O-N 3.39Å; P201-S204 WeakPolarHBondContact O-CB 3.33Å; P201-S204 PolarHBondContact O-N 2.9Å; P201-S204 PolarHBondContact O-OG 2.97Å
202	P	97.1	Very high	95.3	Very high	4 Å²	4	61.9 Å²	61.9	3%	0.026	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-23.1	-164.9	18.7	-31.2	0	0	0	114.6	A192 W198 G214 R215	A192-P202 HydrophobicContact CB-CB 3.57Å; A192-P202 HydrophobicContact CB-CG 3.76Å; W198-P202 HydrophobicContact CD2-CB 4.03Å; W198-P202 HydrophobicContact CE3-CB 4.16Å; W198-P202 HydrophobicContact CH2-CB 4.07Å; W198-P202 HydrophobicContact CZ2-CB 3.93Å; W198-P202 HydrophobicContact CZ3-CB 4.18Å; P202-G214 CarbonylContact O-C 3.55Å; P202-G214 WeakPolarHBondContact O-CA 3.44Å; P202-R215 HydrophobicContact CB-CB 4.23Å; P202-R215 PolarHBondContact O-N 2.6Å
203	F	98	Very high	95.5	Very high	48 Å²	48	61.8 Å²	61.8	21%	0.211	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	25.1	176.9	-54.6	-69.7	0	0	0	112.8	R121 P123 V125 V189 P201 R215	R121-F203 WeakPolarHBondContact CA-O 3.31Å; R121-F203 WeakPolarHBondContact CG-O 3.45Å; P123-F203 HydrophobicContact CB-CD1 3.98Å; P123-F203 HydrophobicContact CB-CD2 4.1Å; P123-F203 HydrophobicContact CB-CE1 4.07Å; P123-F203 HydrophobicContact CB-CE2 4.19Å; P123-F203 HydrophobicContact CB-CG 4Å; P123-F203 HydrophobicContact CB-CZ 4.18Å; V125-F203 HydrophobicContact CG2-CE1 4.38Å; V125-F203 HydrophobicContact CG2-CE2 4.29Å; V125-F203 HydrophobicContact CG2-CZ 3.66Å; V189-F203 HydrophobicContact CG2-CE1 4.14Å; V189-F203 HydrophobicContact CG2-CZ 4.49Å; P201-F203 PolarHBondContact O-N 3.39Å; F203-R215 HydrophobicContact CD1-CB 4.49Å; F203-R215 HydrophobicContact CE1-CB 3.84Å; F203-R215 HydrophobicContact CE1-CG 3.96Å; F203-R215 HydrophobicContact CZ-CB 4.18Å; F203-R215 HydrophobicContact CZ-CG 4.15Å
204	S	97.6	Very high	95.7	Very high	36 Å²	36	55.6 Å²	55.6	25%	0.252	30%	0.301	S	S	.	.	S	Bend	trans	-87.8	-28.4	175.8	61.5	0	0	0	0	114	R121 P201 K206	R121-S204 PolarHBondContact NE-O 3.09Å; R121-S204 VanDerWaalsContact NE-O 3.13Å; P201-S204 WeakPolarHBondContact O-CB 3.33Å; P201-S204 PolarHBondContact O-N 2.9Å; P201-S204 PolarHBondContact O-OG 2.97Å; S204-K206 VanDerWaalsContact C-N 3.31Å; S204-K206 PolarHBondContact OG-N 3.5Å
205	A	97.8	Very high	96.1	Very high	3 Å²	3	49.2 Å²	49.2	3%	0.025	27%	0.271	C	S	.	.			trans	54.4	45.4	-168.8	0	0	0	0	0	112.6	K117 L120 R121 I212 Y213	K117-A205 HydrophobicContact CB-CB 3.71Å; K117-A205 HydrophobicContact CG-CB 3.9Å; K117-A205 WeakPolarHBondContact O-CB 3.49Å; L120-A205 HydrophobicContact CB-CB 3.83Å; L120-A205 HydrophobicContact CD1-CB 4.08Å; R121-A205 HydrophobicContact CG-CB 4.31Å; A205-I212 HydrophobicContact CB-CG2 4.35Å; A205-Y213 WeakPolarHBondContact CA-O 3.48Å
206	K	97.9	Very high	96.4	Very high	99 Å²	99	44.4 Å²	44.4	43%	0.43	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	137.9	-177.6	-177.1	-176.7	169.1	-162.5	0	110.6	A200 S204 I208 Y213	A200-K206 HydrophobicContact CB-CB 3.92Å; A200-K206 HydrophobicContact CB-CD 3.74Å; A200-K206 HydrophobicContact CB-CG 4.39Å; S204-K206 VanDerWaalsContact C-N 3.31Å; S204-K206 PolarHBondContact OG-N 3.5Å; K206-I208 HydrophobicContact CD-CD1 4.13Å; K206-I208 HydrophobicContact CD-CG1 4.2Å; K206-I208 HydrophobicContact CG-CG1 4.2Å; K206-Y213 PolarHBondContact N-O 3.37Å; K206-Y213 PolarHBondContact O-N 3.48Å
207	E	97.9	Very high	96.8	Very high	77 Å²	77	40.8 Å²	40.8	36%	0.36	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	132.9	170.5	-73.3	178.9	-131.1	0	0	111.3	K117 F211 I212 K534	K117-E207 HydrophobicContact CD-CG 4.45Å; K117-E207 IonicContact NZ-OE1 3.94Å; K117-E207 PolarHBondContact NZ-OE1 3.27Å; E207-F211 CarbonylContact C-O 3.46Å; E207-F211 VanDerWaalsContact CA-O 3.3Å; E207-F211 WeakPolarHBondContact CA-O 3.21Å; E207-I212 HydrophobicContact CG-CG1 3.91Å; E207-K534 WeakPolarHBondContact OE2-CD 3.39Å; E207-K534 WeakPolarHBondContact OE2-CE 3.2Å; E207-K534 IonicContact OE2-NZ 3.85Å; E207-K534 PolarHBondContact OE2-NZ 2.94Å
208	I	97.1	Very high	97	Very high	36 Å²	36	38.8 Å²	38.8	19%	0.185	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	124.6	173.5	-54.5	175.4	0	0	0	106.8	A200 K206 D210 F211 Y213	A200-I208 HydrophobicContact CB-CD1 4.27Å; K206-I208 HydrophobicContact CD-CD1 4.13Å; K206-I208 HydrophobicContact CD-CG1 4.2Å; K206-I208 HydrophobicContact CG-CG1 4.2Å; I208-D210 VanDerWaalsContact C-N 3.31Å; I208-D210 PolarHBondContact O-N 2.84Å; I208-F211 PolarHBondContact N-O 3.26Å; I208-F211 WeakPolarHBondContact O-CA 3.27Å; I208-F211 WeakPolarHBondContact O-CB 3.13Å; I208-F211 PolarHBondContact O-N 3.38Å; I208-Y213 HydrophobicContact CB-CD2 4.07Å; I208-Y213 HydrophobicContact CB-CE2 3.76Å; I208-Y213 HydrophobicContact CD1-CD2 4.21Å; I208-Y213 HydrophobicContact CD1-CE2 4.2Å; I208-Y213 HydrophobicContact CD1-CG 4.41Å; I208-Y213 HydrophobicContact CG1-CD2 4.29Å; I208-Y213 HydrophobicContact CG1-CE2 4.35Å; I208-Y213 HydrophobicContact CG2-CE2 4.42Å
209	D	93.1	Very high	97.1	Very high	145 Å²	145	38 Å²	38	78%	0.775	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.8	48.6	174.5	-54.9	-24.8	0	0	0	114.5	F211	D209-F211 WeakPolarHBondContact O-CD2 3.38Å; D209-F211 PolarHBondContact O-N 3.03Å; D209-F211 VanDerWaalsContact O-N 3.16Å
210	D	95.4	Very high	97.2	Very high	107 Å²	107	33 Å²	33	57%	0.572	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.4	4.6	-175	-72.6	-35	0	0	0	117.7	I208 S533 K534	I208-D210 VanDerWaalsContact C-N 3.31Å; I208-D210 PolarHBondContact O-N 2.84Å; D210-S533 WeakPolarHBondContact O-CA 3.5Å; D210-K534 PolarHBondContact O-N 3.42Å; D210-K534 WeakPolarHBondContact OD1-CE 3.39Å; D210-K534 IonicContact OD1-NZ 3.11Å; D210-K534 PolarHBondContact OD1-NZ 3.23Å
211	F	97.7	Very high	97.4	Very high	56 Å²	56	33 Å²	33	25%	0.246	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	139.5	165	-69.5	-94.6	0	0	0	111.8	E207 I208 D209 Y213 R531 I532	E207-F211 CarbonylContact C-O 3.46Å; E207-F211 VanDerWaalsContact CA-O 3.3Å; E207-F211 WeakPolarHBondContact CA-O 3.21Å; I208-F211 PolarHBondContact N-O 3.26Å; I208-F211 WeakPolarHBondContact O-CA 3.27Å; I208-F211 WeakPolarHBondContact O-CB 3.13Å; I208-F211 PolarHBondContact O-N 3.38Å; D209-F211 WeakPolarHBondContact O-CD2 3.38Å; D209-F211 PolarHBondContact O-N 3.03Å; D209-F211 VanDerWaalsContact O-N 3.16Å; F211-Y213 HydrophobicContact CB-CD2 3.99Å; F211-Y213 HydrophobicContact CB-CE2 3.78Å; F211-R531 HydrophobicContact CB-CB 4.21Å; F211-R531 HydrophobicContact CB-CG 4.39Å; F211-R531 HydrophobicContact CD1-CB 4.21Å; F211-R531 HydrophobicContact CD1-CG 3.73Å; F211-R531 HydrophobicContact CE1-CG 4.4Å; F211-R531 HydrophobicContact CG-CG 4.28Å; F211-I532 WeakPolarHBondContact CA-O 3.42Å
212	I	98.4	Very high	97.4	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	122.2	160.8	-64.4	166	0	0	0	106.6	L113 F116 K117 L120 A205 E207 T217 R531 I532 K534	L113-I212 HydrophobicContact CD2-CD1 4.03Å; F116-I212 HydrophobicContact CD1-CD1 3.88Å; F116-I212 HydrophobicContact CE1-CD1 4.17Å; K117-I212 HydrophobicContact CD-CD1 4.19Å; K117-I212 HydrophobicContact CD-CG1 4.35Å; K117-I212 HydrophobicContact CG-CD1 3.87Å; K117-I212 HydrophobicContact CG-CG1 4.29Å; K117-I212 HydrophobicContact CG-CG2 4.08Å; L120-I212 HydrophobicContact CD1-CG2 3.65Å; A205-I212 HydrophobicContact CB-CG2 4.35Å; E207-I212 HydrophobicContact CG-CG1 3.91Å; I212-T217 HydrophobicContact CG2-CG2 4.13Å; I212-R531 WeakPolarHBondContact O-CA 3.25Å; I212-R531 WeakPolarHBondContact O-CB 3.35Å; I212-I532 PolarHBondContact N-O 3.26Å; I212-I532 PolarHBondContact O-N 3.01Å; I212-K534 HydrophobicContact CD1-CG 4.05Å; I212-K534 HydrophobicContact CG1-CG 4.12Å
213	Y	98.1	Very high	97.5	Very high	6 Å²	6	30.4 Å²	30.4	2%	0.024	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	131.9	175.4	-80.7	-120.1	0	0	0	110.5	E199 A200 A205 K206 I208 F211 N529 E530 R531	E199-Y213 HydrophobicContact CB-CD1 4.37Å; E199-Y213 HydrophobicContact CB-CE1 3.92Å; E199-Y213 HydrophobicContact CG-CE1 4.49Å; E199-Y213 WeakPolarHBondContact OE2-CE1 3.47Å; E199-Y213 PolarHBondContact OE2-OH 3.19Å; A200-Y213 HydrophobicContact CB-CD1 4.38Å; A200-Y213 HydrophobicContact CB-CG 4.35Å; A205-Y213 WeakPolarHBondContact CA-O 3.48Å; K206-Y213 PolarHBondContact N-O 3.37Å; K206-Y213 PolarHBondContact O-N 3.48Å; I208-Y213 HydrophobicContact CB-CD2 4.07Å; I208-Y213 HydrophobicContact CB-CE2 3.76Å; I208-Y213 HydrophobicContact CD1-CD2 4.21Å; I208-Y213 HydrophobicContact CD1-CE2 4.2Å; I208-Y213 HydrophobicContact CD1-CG 4.41Å; I208-Y213 HydrophobicContact CG1-CD2 4.29Å; I208-Y213 HydrophobicContact CG1-CE2 4.35Å; I208-Y213 HydrophobicContact CG2-CE2 4.42Å; F211-Y213 HydrophobicContact CB-CD2 3.99Å; F211-Y213 HydrophobicContact CB-CE2 3.78Å; Y213-N529 HydrophobicContact CD1-CB 4.3Å; Y213-N529 HydrophobicContact CE1-CB 3.97Å; Y213-E530 WeakPolarHBondContact CA-O 3.28Å; Y213-R531 HydrophobicContact CD1-CB 4.32Å; Y213-R531 HydrophobicContact CD2-CB 3.91Å; Y213-R531 HydrophobicContact CE2-CB 4.2Å; Y213-R531 HydrophobicContact CG-CB 3.98Å; Y213-R531 VanDerWaalsContact CZ-CD 3.48Å; Y213-R531 PolarHBondContact OH-NH1 3.22Å
214	G	97.9	Very high	97.5	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.143	C	C	.	.	S	Bend	trans	167.5	157.4	173.6	0	0	0	0	0	113.3	P202 G216 T217 E530	P202-G214 CarbonylContact O-C 3.55Å; P202-G214 WeakPolarHBondContact O-CA 3.44Å; G214-G216 PolarHBondContact O-N 3.05Å; G214-T217 WeakPolarHBondContact O-CB 3.23Å; G214-T217 VanDerWaalsContact O-CG2 3.25Å; G214-T217 WeakPolarHBondContact O-CG2 3.41Å; G214-T217 PolarHBondContact O-N 2.85Å; G214-T217 PolarHBondContact O-OG1 2.92Å; G214-E530 PolarHBondContact N-O 3.29Å
215	R	98.3	Very high	97.6	Very high	5 Å²	5	26.4 Å²	26.4	2%	0.019	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	125.4	173.7	171.5	63.7	76.6	-127.2	5.4	109.6	L120 V189 V190 A192 W198 P202 F203 H526 G527 E530	L120-R215 WeakPolarHBondContact CD2-O 3.44Å; V189-R215 HydrophobicContact CB-CG 3.63Å; V189-R215 HydrophobicContact CG1-CG 3.89Å; V189-R215 HydrophobicContact CG2-CG 3.93Å; V190-R215 PolarHBondContact O-NE 2.76Å; A192-R215 HydrophobicContact CB-CB 4.26Å; A192-R215 HydrophobicContact CB-CG 4.42Å; W198-R215 HydrophobicContact CH2-CB 4.32Å; P202-R215 HydrophobicContact CB-CB 4.23Å; P202-R215 PolarHBondContact O-N 2.6Å; F203-R215 HydrophobicContact CD1-CB 4.49Å; F203-R215 HydrophobicContact CE1-CB 3.84Å; F203-R215 HydrophobicContact CE1-CG 3.96Å; F203-R215 HydrophobicContact CZ-CB 4.18Å; F203-R215 HydrophobicContact CZ-CG 4.15Å; R215-H526 VanDerWaalsContact NH2-C 3.33Å; R215-H526 PolarHBondContact NH2-O 3.18Å; R215-G527 PolarHBondContact NH1-O 2.74Å; R215-G527 PolarHBondContact NH2-O 3.49Å; R215-E530 VanDerWaalsContact CA-OE2 3.31Å; R215-E530 WeakPolarHBondContact CA-OE2 3.42Å; R215-E530 WeakPolarHBondContact CD-OE2 3.46Å; R215-E530 IonicContact CZ-OE2 2.7Å; R215-E530 IonicContact NE-OE2 3.54Å; R215-E530 IonicContact NH1-OE2 3.9Å; R215-E530 PolarHBondContact NH1-OE2 3.16Å
216	G	97.7	Very high	97.6	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.3	12.2	-173.1	0	0	0	0	0	115.1	L120 G214 D219 K221 E530	L120-G216 WeakPolarHBondContact CD2-O 3.43Å; G214-G216 PolarHBondContact O-N 3.05Å; G216-D219 WeakPolarHBondContact CA-O 3.39Å; G216-K221 WeakPolarHBondContact O-CB 3.38Å; G216-K221 PolarHBondContact O-N 3.19Å; G216-E530 VanDerWaalsContact C-OE1 3.31Å; G216-E530 WeakPolarHBondContact CA-OE1 3.5Å; G216-E530 PolarHBondContact N-OE1 2.8Å; G216-E530 PolarHBondContact N-OE2 2.82Å; G216-E530 VanDerWaalsContact N-OE2 3.13Å
217	T	97.9	Very high	97.7	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.109	C	C	.	.	S	Bend	trans	-76.9	-25.8	174.3	46.5	0	0	0	0	113.8	F116 L120 I212 G214 C222 E530 R531 I532	F116-T217 HydrophobicContact CZ-CG2 4.3Å; L120-T217 HydrophobicContact CD1-CG2 3.49Å; L120-T217 VanDerWaalsContact CD1-CG2 3.49Å; L120-T217 HydrophobicContact CD2-CG2 3.81Å; L120-T217 HydrophobicContact CG-CG2 4.32Å; I212-T217 HydrophobicContact CG2-CG2 4.13Å; G214-T217 WeakPolarHBondContact O-CB 3.23Å; G214-T217 VanDerWaalsContact O-CG2 3.25Å; G214-T217 WeakPolarHBondContact O-CG2 3.41Å; G214-T217 PolarHBondContact O-N 2.85Å; G214-T217 PolarHBondContact O-OG1 2.92Å; T217-C222 VanDerWaalsContact O-CB 3.31Å; T217-C222 WeakPolarHBondContact O-CB 3.39Å; T217-E530 WeakPolarHBondContact CA-OE1 3.27Å; T217-E530 PolarHBondContact N-OE1 3.39Å; T217-E530 VanDerWaalsContact OG1-C 3.23Å; T217-E530 PolarHBondContact OG1-O 3.29Å; T217-E530 PolarHBondContact OG1-OE1 3.43Å; T217-R531 WeakPolarHBondContact OG1-CA 3.49Å; T217-R531 PolarHBondContact OG1-N 3.44Å; T217-I532 HydrophobicContact CG2-CG2 4.25Å; T217-I532 WeakPolarHBondContact O-CB 3.25Å; T217-I532 WeakPolarHBondContact O-CG2 3.38Å
218	I	96.6	Very high	97.7	Very high	9 Å²	9	17.9 Å²	17.9	5%	0.046	9%	0.092	C	C	.	.	S	Bend	trans	-127.7	-3	173.9	70.1	-174	0	0	0	113.5	V515 R524 F525 E530 R531 I532	I218-V515 HydrophobicContact CG2-CG1 4.1Å; I218-R524 HydrophobicContact CD1-CB 4.02Å; I218-F525 HydrophobicContact CB-CZ 4.32Å; I218-F525 HydrophobicContact CD1-CD2 3.85Å; I218-F525 HydrophobicContact CD1-CE2 3.55Å; I218-F525 HydrophobicContact CD1-CG 4.44Å; I218-F525 HydrophobicContact CD1-CZ 3.9Å; I218-F525 HydrophobicContact CG1-CE1 4.18Å; I218-F525 HydrophobicContact CG1-CE2 4.06Å; I218-F525 HydrophobicContact CG1-CZ 3.86Å; I218-E530 HydrophobicContact CD1-CG 3.94Å; I218-E530 HydrophobicContact CG1-CG 3.69Å; I218-E530 PolarHBondContact N-OE1 3.07Å; I218-R531 WeakPolarHBondContact CG2-O 3.33Å; I218-I532 HydrophobicContact CG2-CB 4.08Å; I218-I532 HydrophobicContact CG2-CG1 4.49Å
219	D	96.9	Very high	97.8	Very high	9 Å²	9	16.3 Å²	16.3	5%	0.048	8%	0.084	C	C	.	.	S	Bend	trans	-155.4	82.3	-166.2	-172.4	2.8	0	0	0	111.8	H186 G216 F525 H526	H186-D219 IonicContact CE1-OD1 3.73Å; H186-D219 IonicContact NE2-OD1 3.75Å; H186-D219 PolarHBondContact NE2-OD1 2.9Å; H186-D219 VanDerWaalsContact NE2-OD1 3.16Å; G216-D219 WeakPolarHBondContact CA-O 3.39Å; D219-F525 HydrophobicContact CB-CD1 3.95Å; D219-F525 HydrophobicContact CB-CE1 3.85Å; D219-F525 VanDerWaalsContact OD2-CD1 3.32Å; D219-F525 WeakPolarHBondContact OD2-CD1 3.29Å; D219-H526 IonicContact OD2-CE1 2.65Å
220	D	97.8	Very high	98	Very high	1 Å²	1	9.4 Å²	9.4	1%	0.005	5%	0.047	C	C	.	.	S	Bend	cis	-134.2	21	-7.4	-177	45.3	0	0	0	112.7	A185 H186 C222 A223 V224 E281	A185-D220 WeakPolarHBondContact CA-OD2 3.29Å; A185-D220 WeakPolarHBondContact CB-OD2 3.2Å; H186-D220 PolarHBondContact N-OD2 2.78Å; H186-D220 WeakPolarHBondContact NE2-CB 3.48Å; D220-C222 PolarHBondContact O-N 3.32Å; D220-A223 PolarHBondContact O-N 2.84Å; D220-A223 WeakPolarHBondContact OD1-CB 2.99Å; D220-A223 WeakPolarHBondContact OD2-CB 3.33Å; D220-V224 PolarHBondContact O-N 3.4Å; D220-E281 WeakPolarHBondContact CB-OE2 3.28Å
221	K	98.6	Very high	98.2	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-60.3	-15.9	177.3	-61.8	177	173.9	176.3	0	113.5	A119 I122 T124 F140 I187 G216 M225	A119-K221 PolarHBondContact O-NZ 2.94Å; I122-K221 PolarHBondContact O-NZ 2.95Å; T124-K221 WeakPolarHBondContact OG1-CE 3.41Å; T124-K221 PolarHBondContact OG1-NZ 3Å; F140-K221 HydrophobicContact CE2-CD 4.13Å; F140-K221 HydrophobicContact CZ-CD 4.31Å; F140-K221 HydrophobicContact CZ-CG 4.34Å; I187-K221 VanDerWaalsContact O-CE 3.26Å; I187-K221 WeakPolarHBondContact O-CE 3.19Å; G216-K221 WeakPolarHBondContact O-CB 3.38Å; G216-K221 PolarHBondContact O-N 3.19Å; K221-M225 VanDerWaalsContact O-CB 3.25Å; K221-M225 WeakPolarHBondContact O-CB 3.4Å; K221-M225 WeakPolarHBondContact O-CG 3.4Å; K221-M225 PolarHBondContact O-N 3.42Å
222	C	98.3	Very high	98.2	Very high	0 Å²	0	2.1 Å²	2.1	0%	0	1%	0.01	C	C	.	.	H	α-helix	trans	-65.8	-46.5	170	60.5	0	0	0	0	112.3	F116 T217 D220 G226 I532 Y537 L540	F116-C222 HydrophobicContact CE2-CB 3.99Å; F116-C222 HydrophobicContact CZ-CB 4.03Å; T217-C222 VanDerWaalsContact O-CB 3.31Å; T217-C222 WeakPolarHBondContact O-CB 3.39Å; D220-C222 PolarHBondContact O-N 3.32Å; C222-G226 PolarHBondContact O-N 2.77Å; C222-I532 HydrophobicContact CB-CD1 4.39Å; C222-Y537 HydrophobicContact CB-CD2 4.23Å; C222-Y537 HydrophobicContact CB-CE2 4.42Å; C222-L540 HydrophobicContact CB-CD1 4.11Å; C222-L540 WeakPolarHBondContact O-CD2 3.4Å
223	A	98.4	Very high	98.2	Very high	1 Å²	1	2.4 Å²	2.4	1%	0.008	1%	0.011	C	C	.	.	H	α-helix	trans	-69.6	-43.7	174.9	0	0	0	0	0	111.3	A185 D220 M225 G226 I227 Y544	A185-A223 HydrophobicContact CB-CB 4Å; D220-A223 PolarHBondContact O-N 2.84Å; D220-A223 WeakPolarHBondContact OD1-CB 2.99Å; D220-A223 WeakPolarHBondContact OD2-CB 3.33Å; A223-M225 VanDerWaalsContact C-N 3.34Å; A223-M225 PolarHBondContact O-N 3.15Å; A223-G226 PolarHBondContact O-N 2.79Å; A223-I227 HydrophobicContact CB-CD1 4.27Å; A223-I227 VanDerWaalsContact O-CB 3.31Å; A223-I227 WeakPolarHBondContact O-CB 3.4Å; A223-I227 WeakPolarHBondContact O-CD1 3.33Å; A223-I227 WeakPolarHBondContact O-CG1 3.49Å; A223-I227 PolarHBondContact O-N 3.48Å; A223-Y544 HydrophobicContact CB-CE2 4.32Å
224	V	98.8	Very high	98.2	Very high	0 Å²	0	2.1 Å²	2.1	0%	0	1%	0.01	C	C	.	.	H	α-helix	trans	-49.1	-55.7	174.7	176.6	0	0	0	0	111.5	F140 L144 A185 H186 I187 D220 L228 L249	F140-V224 HydrophobicContact CE1-CG1 4.13Å; F140-V224 HydrophobicContact CZ-CG1 4.43Å; L144-V224 HydrophobicContact CD2-CG1 4.49Å; A185-V224 HydrophobicContact CB-CB 4.42Å; A185-V224 HydrophobicContact CB-CG2 3.63Å; H186-V224 WeakPolarHBondContact O-CG2 2.92Å; I187-V224 HydrophobicContact CG2-CG1 4.16Å; I187-V224 HydrophobicContact CG2-CG2 4.07Å; D220-V224 PolarHBondContact O-N 3.4Å; V224-L228 HydrophobicContact CG1-CD1 4.33Å; V224-L228 WeakPolarHBondContact O-CG 3.32Å; V224-L228 PolarHBondContact O-N 3.06Å; V224-L249 HydrophobicContact CG1-CD1 3.94Å; V224-L249 HydrophobicContact CG1-CD2 4.42Å; V224-L249 HydrophobicContact CG2-CD2 4.37Å
225	M	98.8	Very high	98.2	Very high	0 Å²	0	2.9 Å²	2.9	0%	0	1%	0.014	C	C	.	.	H	α-helix	trans	-72.8	-33.5	-176.2	-66.1	-63.4	-69.2	0	0	111.6	N115 F116 A119 F143 L144 F148 K221 A223 Q229 Y537	N115-M225 HydrophobicContact CB-CE 3.89Å; F116-M225 HydrophobicContact CD2-CB 4.23Å; F116-M225 HydrophobicContact CD2-CG 4.28Å; A119-M225 HydrophobicContact CB-CE 4.04Å; A119-M225 HydrophobicContact CB-CG 3.72Å; A119-M225 HydrophobicContact CB-SD 3.75Å; F143-M225 HydrophobicContact CE1-CE 3.52Å; F143-M225 HydrophobicContact CE1-SD 3.87Å; F143-M225 HydrophobicContact CZ-CE 3.7Å; L144-M225 HydrophobicContact CD2-SD 3.71Å; F148-M225 HydrophobicContact CE2-CE 3.79Å; F148-M225 HydrophobicContact CE2-SD 3.73Å; F148-M225 HydrophobicContact CZ-CE 3.5Å; F148-M225 HydrophobicContact CZ-SD 3.88Å; K221-M225 VanDerWaalsContact O-CB 3.25Å; K221-M225 WeakPolarHBondContact O-CB 3.4Å; K221-M225 WeakPolarHBondContact O-CG 3.4Å; K221-M225 PolarHBondContact O-N 3.42Å; A223-M225 VanDerWaalsContact C-N 3.34Å; A223-M225 PolarHBondContact O-N 3.15Å; M225-Q229 WeakPolarHBondContact O-CB 3.32Å; M225-Q229 PolarHBondContact O-N 2.77Å; M225-Y537 HydrophobicContact CB-CE2 4.4Å; M225-Y537 WeakPolarHBondContact CB-OH 3.23Å
226	G	98.5	Very high	98.1	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-70.9	-43.2	179	0	0	0	0	0	114.3	C222 A223 Q229 A230	C222-G226 PolarHBondContact O-N 2.77Å; A223-G226 PolarHBondContact O-N 2.79Å; G226-Q229 PolarHBondContact O-N 3.23Å; G226-A230 WeakPolarHBondContact O-CB 3.47Å; G226-A230 PolarHBondContact O-N 2.81Å
227	I	98.8	Very high	98	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-58.9	-48.6	174.7	-70	165.2	0	0	0	109.8	L183 A185 A223 L231 I247 Y544 F548	L183-I227 HydrophobicContact CB-CD1 4.16Å; L183-I227 HydrophobicContact CD1-CG1 4.34Å; L183-I227 HydrophobicContact CD1-CG2 4.04Å; A185-I227 HydrophobicContact CB-CD1 4.11Å; A223-I227 HydrophobicContact CB-CD1 4.27Å; A223-I227 VanDerWaalsContact O-CB 3.31Å; A223-I227 WeakPolarHBondContact O-CB 3.4Å; A223-I227 WeakPolarHBondContact O-CD1 3.33Å; A223-I227 WeakPolarHBondContact O-CG1 3.49Å; A223-I227 PolarHBondContact O-N 3.48Å; I227-L231 PolarHBondContact O-N 2.62Å; I227-L231 VanDerWaalsContact O-N 3.08Å; I227-I247 HydrophobicContact CG2-CD1 3.63Å; I227-I247 HydrophobicContact CG2-CG1 3.83Å; I227-I247 HydrophobicContact CG2-CG2 3.85Å; I227-Y544 HydrophobicContact CD1-CE1 4.09Å; I227-Y544 HydrophobicContact CD1-CE2 4.49Å; I227-Y544 HydrophobicContact CG1-CD1 3.66Å; I227-Y544 HydrophobicContact CG1-CD2 3.82Å; I227-Y544 HydrophobicContact CG1-CE1 3.62Å; I227-Y544 HydrophobicContact CG1-CE2 3.76Å; I227-Y544 HydrophobicContact CG1-CG 3.78Å; I227-F548 HydrophobicContact CG2-CZ 4.13Å
228	L	98.9	Very high	97.8	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-71.4	-39.7	-179.1	-65.7	175	0	0	0	112.5	L144 F148 V151 F169 V224 A230 L231 E232 I247 L249	L144-L228 HydrophobicContact CD1-CD1 4.29Å; L144-L228 HydrophobicContact CD2-CD1 3.84Å; F148-L228 HydrophobicContact CD1-CB 4.14Å; F148-L228 HydrophobicContact CD2-CB 3.55Å; F148-L228 HydrophobicContact CD2-CD1 3.77Å; F148-L228 HydrophobicContact CD2-CG 4.26Å; F148-L228 HydrophobicContact CE1-CB 4.08Å; F148-L228 HydrophobicContact CE2-CB 3.45Å; F148-L228 VanDerWaalsContact CE2-CB 3.45Å; F148-L228 HydrophobicContact CE2-CD1 3.74Å; F148-L228 HydrophobicContact CE2-CG 4.26Å; F148-L228 HydrophobicContact CG-CB 3.87Å; F148-L228 HydrophobicContact CZ-CB 3.72Å; V151-L228 HydrophobicContact CG1-CD2 4.22Å; F169-L228 HydrophobicContact CE1-CD2 4.42Å; F169-L228 HydrophobicContact CE2-CD2 3.95Å; F169-L228 HydrophobicContact CZ-CD2 3.9Å; V224-L228 HydrophobicContact CG1-CD1 4.33Å; V224-L228 WeakPolarHBondContact O-CG 3.32Å; V224-L228 PolarHBondContact O-N 3.06Å; L228-A230 VanDerWaalsContact C-N 3.35Å; L228-A230 PolarHBondContact O-N 3.04Å; L228-L231 PolarHBondContact O-N 3.38Å; L228-E232 WeakPolarHBondContact O-CB 3.36Å; L228-E232 PolarHBondContact O-N 2.95Å; L228-I247 HydrophobicContact CD2-CD1 4.5Å; L228-L249 HydrophobicContact CD1-CD1 4.2Å
229	Q	98.8	Very high	97.7	Very high	3 Å²	3	14.7 Å²	14.7	1%	0.014	8%	0.083	C	C	.	.	H	α-helix	trans	-65.8	-37.9	177.2	-172.3	66.5	88.6	0	0	112.1	L112 F148 M225 G226 Y233 V541	L112-Q229 HydrophobicContact CD1-CG 4.03Å; L112-Q229 HydrophobicContact CG-CG 4.26Å; F148-Q229 VanDerWaalsContact CE1-CA 3.48Å; F148-Q229 HydrophobicContact CE1-CB 3.74Å; F148-Q229 HydrophobicContact CE1-CG 4.44Å; F148-Q229 HydrophobicContact CZ-CB 4.31Å; M225-Q229 WeakPolarHBondContact O-CB 3.32Å; M225-Q229 PolarHBondContact O-N 2.77Å; G226-Q229 PolarHBondContact O-N 3.23Å; Q229-Y233 HydrophobicContact CG-CD2 4.42Å; Q229-Y233 HydrophobicContact CG-CE1 4.49Å; Q229-Y233 HydrophobicContact CG-CE2 4Å; Q229-Y233 WeakPolarHBondContact O-CB 3.5Å; Q229-Y233 VanDerWaalsContact O-CG 3.3Å; Q229-Y233 PolarHBondContact O-N 3.34Å; Q229-V541 HydrophobicContact CB-CG1 3.94Å; Q229-V541 HydrophobicContact CB-CG2 4.4Å; Q229-V541 HydrophobicContact CG-CG1 3.8Å; Q229-V541 HydrophobicContact CG-CG2 4.4Å
230	A	98.6	Very high	97.4	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-64.1	-44.5	173.2	0	0	0	0	0	111.8	G226 L228 Y233 L234 V541 F545 F548	G226-A230 WeakPolarHBondContact O-CB 3.47Å; G226-A230 PolarHBondContact O-N 2.81Å; L228-A230 VanDerWaalsContact C-N 3.35Å; L228-A230 PolarHBondContact O-N 3.04Å; A230-Y233 PolarHBondContact O-N 2.66Å; A230-L234 WeakPolarHBondContact O-CG 3.4Å; A230-L234 PolarHBondContact O-N 2.79Å; A230-V541 HydrophobicContact CB-CG1 4.21Å; A230-F545 HydrophobicContact CB-CB 3.92Å; A230-F548 HydrophobicContact CB-CD2 4.25Å; A230-F548 HydrophobicContact CB-CE2 3.87Å
231	L	98.6	Very high	97.3	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.005	11%	0.105	C	C	.	.	H	α-helix	trans	-66.5	-42.6	177.5	-174.7	58.9	0	0	0	112.2	V151 V171 I227 L228 Y233 L234 L235 F245 I247 F548	V151-L231 HydrophobicContact CG1-CD2 4.07Å; V151-L231 HydrophobicContact CG2-CB 4.08Å; V151-L231 HydrophobicContact CG2-CD2 4.1Å; V151-L231 HydrophobicContact CG2-CG 3.95Å; V171-L231 HydrophobicContact CG2-CD2 4.03Å; I227-L231 PolarHBondContact O-N 2.62Å; I227-L231 VanDerWaalsContact O-N 3.08Å; L228-L231 PolarHBondContact O-N 3.38Å; L231-Y233 VanDerWaalsContact C-N 3.34Å; L231-Y233 PolarHBondContact O-N 3.28Å; L231-L234 PolarHBondContact O-N 3.47Å; L231-L235 HydrophobicContact CD1-CD1 4.17Å; L231-L235 HydrophobicContact CD1-CG 4.08Å; L231-L235 HydrophobicContact CG-CD1 3.89Å; L231-L235 HydrophobicContact CG-CG 4.27Å; L231-L235 WeakPolarHBondContact O-CB 3.31Å; L231-L235 VanDerWaalsContact O-CG 3.31Å; L231-L235 WeakPolarHBondContact O-CG 3.2Å; L231-L235 PolarHBondContact O-N 3.07Å; L231-F245 HydrophobicContact CD1-CE2 4.44Å; L231-F245 HydrophobicContact CD1-CZ 3.84Å; L231-F245 HydrophobicContact CD2-CE2 4.42Å; L231-I247 HydrophobicContact CD2-CD1 3.78Å; L231-F548 HydrophobicContact CB-CE2 4.08Å; L231-F548 HydrophobicContact CB-CZ 4.17Å
232	E	98.4	Very high	97.1	Very high	9 Å²	9	20.9 Å²	20.9	4%	0.042	12%	0.115	C	C	.	.	H	α-helix	trans	-55.4	-48.9	173.4	-175.9	69.7	-164.1	0	0	110.5	F148 P149 T150 V151 L228 L234 L235 I236	F148-E232 VanDerWaalsContact CA-OE2 3.31Å; F148-E232 WeakPolarHBondContact CA-OE2 3.41Å; F148-E232 HydrophobicContact CD1-CB 3.98Å; F148-E232 HydrophobicContact CD1-CG 4.27Å; P149-E232 WeakPolarHBondContact CD-OE1 3.29Å; T150-E232 WeakPolarHBondContact CA-OE2 3.39Å; T150-E232 VanDerWaalsContact CB-CD 3.42Å; T150-E232 WeakPolarHBondContact CB-OE1 3.41Å; T150-E232 VanDerWaalsContact CB-OE2 3.29Å; T150-E232 WeakPolarHBondContact CB-OE2 3.07Å; T150-E232 PolarHBondContact N-OE1 3.06Å; T150-E232 PolarHBondContact N-OE2 3.45Å; T150-E232 PolarHBondContact OG1-OE1 2.79Å; V151-E232 HydrophobicContact CG2-CB 4.05Å; V151-E232 WeakPolarHBondContact CG2-OE2 3.42Å; V151-E232 PolarHBondContact N-OE2 2.76Å; L228-E232 WeakPolarHBondContact O-CB 3.36Å; L228-E232 PolarHBondContact O-N 2.95Å; E232-L234 VanDerWaalsContact C-N 3.33Å; E232-L234 PolarHBondContact O-N 3.36Å; E232-L235 PolarHBondContact O-N 3.09Å; E232-I236 HydrophobicContact CG-CD1 3.88Å; E232-I236 WeakPolarHBondContact O-CB 3.09Å; E232-I236 VanDerWaalsContact O-CG1 3.25Å; E232-I236 WeakPolarHBondContact O-CG1 3.3Å; E232-I236 PolarHBondContact O-N 3.26Å
233	Y	97.9	Very high	97	Very high	7 Å²	7	21.5 Å²	21.5	3%	0.027	12%	0.117	C	C	.	.	H	α-helix	trans	-64.1	-33.2	177.8	-74.8	-11.3	0	0	0	114	L102 H108 L112 Q229 A230 L231 R237 V541	L102-Y233 HydrophobicContact CD1-CD2 3.66Å; L102-Y233 HydrophobicContact CD1-CE2 4.11Å; L102-Y233 HydrophobicContact CD1-CG 4.3Å; L102-Y233 HydrophobicContact CD2-CD2 3.89Å; L102-Y233 HydrophobicContact CD2-CE2 4.4Å; L102-Y233 HydrophobicContact CG-CD2 4.46Å; H108-Y233 PolarHBondContact O-OH 3.15Å; L112-Y233 HydrophobicContact CD1-CE2 4.05Å; Q229-Y233 HydrophobicContact CG-CD2 4.42Å; Q229-Y233 HydrophobicContact CG-CE1 4.49Å; Q229-Y233 HydrophobicContact CG-CE2 4Å; Q229-Y233 WeakPolarHBondContact O-CB 3.5Å; Q229-Y233 VanDerWaalsContact O-CG 3.3Å; Q229-Y233 PolarHBondContact O-N 3.34Å; A230-Y233 PolarHBondContact O-N 2.66Å; L231-Y233 VanDerWaalsContact C-N 3.34Å; L231-Y233 PolarHBondContact O-N 3.28Å; Y233-R237 VanDerWaalsContact O-CD 3.28Å; Y233-R237 WeakPolarHBondContact O-CD 3.37Å; Y233-R237 VanDerWaalsContact O-CG 3.27Å; Y233-R237 WeakPolarHBondContact O-CG 3.45Å; Y233-R237 PolarHBondContact O-NH1 3.31Å; Y233-V541 HydrophobicContact CD2-CG1 4.39Å; Y233-V541 HydrophobicContact CE2-CG1 4.4Å
234	L	97.7	Very high	97	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-70.9	-48.6	174.2	-78.1	169.7	0	0	0	111.4	I100 A230 L231 E232 I236 R237 G238 Y239 F545 F548 Q549	I100-L234 HydrophobicContact CD1-CD2 4.23Å; A230-L234 WeakPolarHBondContact O-CG 3.4Å; A230-L234 PolarHBondContact O-N 2.79Å; L231-L234 PolarHBondContact O-N 3.47Å; E232-L234 VanDerWaalsContact C-N 3.33Å; E232-L234 PolarHBondContact O-N 3.36Å; L234-I236 PolarHBondContact O-N 3.29Å; L234-R237 CarbonylContact O-C 3.59Å; L234-R237 WeakPolarHBondContact O-CA 3.45Å; L234-R237 PolarHBondContact O-N 3.11Å; L234-G238 PolarHBondContact O-N 2.69Å; L234-Y239 VanDerWaalsContact C-CB 3.49Å; L234-Y239 HydrophobicContact CB-CD1 3.73Å; L234-Y239 HydrophobicContact CB-CG 3.86Å; L234-Y239 HydrophobicContact CD1-CD1 3.99Å; L234-Y239 HydrophobicContact CD1-CE1 4.06Å; L234-Y239 HydrophobicContact CD1-CG 4.45Å; L234-Y239 HydrophobicContact CD2-CD1 4.33Å; L234-Y239 HydrophobicContact CD2-CD2 4.15Å; L234-Y239 HydrophobicContact CD2-CG 3.96Å; L234-Y239 HydrophobicContact CG-CD1 4.23Å; L234-Y239 HydrophobicContact CG-CG 4.3Å; L234-Y239 WeakPolarHBondContact O-CB 3.41Å; L234-Y239 PolarHBondContact O-N 3.45Å; L234-F545 HydrophobicContact CB-CE2 4.47Å; L234-F545 HydrophobicContact CD1-CD2 4.32Å; L234-F545 HydrophobicContact CD2-CD2 3.85Å; L234-F545 HydrophobicContact CD2-CE1 4.3Å; L234-F545 HydrophobicContact CD2-CE2 3.42Å; L234-F545 VanDerWaalsContact CD2-CE2 3.42Å; L234-F545 HydrophobicContact CD2-CG 4.45Å; L234-F545 HydrophobicContact CD2-CZ 3.66Å; L234-F545 HydrophobicContact CG-CD2 3.6Å; L234-F545 HydrophobicContact CG-CE2 3.55Å; L234-F545 HydrophobicContact CG-CG 4.4Å; L234-F545 HydrophobicContact CG-CZ 4.31Å; L234-F548 HydrophobicContact CD1-CB 3.56Å; L234-F548 HydrophobicContact CD1-CD2 3.49Å; L234-F548 VanDerWaalsContact CD1-CD2 3.49Å; L234-F548 HydrophobicContact CD1-CE2 4.46Å; L234-F548 HydrophobicContact CD1-CG 3.82Å; L234-Q549 HydrophobicContact CD2-CG 3.93Å
235	L	97.3	Very high	97	Very high	16 Å²	16	22 Å²	22	8%	0.084	12%	0.123	C	C	.	.	H	α-helix	trans	-63.8	-41.9	-178.2	-69	173.1	0	0	0	112.2	T150 V151 V156 V157 L231 E232 R237 G238	T150-L235 HydrophobicContact CG2-CB 3.69Å; V151-L235 HydrophobicContact CG2-CD1 4.13Å; V156-L235 HydrophobicContact CG2-CD2 3.91Å; V157-L235 HydrophobicContact CG2-CD1 3.84Å; L231-L235 HydrophobicContact CD1-CD1 4.17Å; L231-L235 HydrophobicContact CD1-CG 4.08Å; L231-L235 HydrophobicContact CG-CD1 3.89Å; L231-L235 HydrophobicContact CG-CG 4.27Å; L231-L235 WeakPolarHBondContact O-CB 3.31Å; L231-L235 VanDerWaalsContact O-CG 3.31Å; L231-L235 WeakPolarHBondContact O-CG 3.2Å; L231-L235 PolarHBondContact O-N 3.07Å; E232-L235 PolarHBondContact O-N 3.09Å; L235-R237 PolarHBondContact O-N 3.03Å; L235-G238 PolarHBondContact O-N 3.32Å
236	I	96.1	Very high	97	Very high	101 Å²	101	22.9 Å²	22.9	52%	0.518	13%	0.126	S	C	.	.	H	α-helix	trans	-57.5	-29.9	172.7	-71.1	169.5	0	0	0	111.7	T150 E232 L234 G238	T150-I236 HydrophobicContact CG2-CG1 4.24Å; T150-I236 WeakPolarHBondContact OG1-CG1 3.47Å; E232-I236 HydrophobicContact CG-CD1 3.88Å; E232-I236 WeakPolarHBondContact O-CB 3.09Å; E232-I236 VanDerWaalsContact O-CG1 3.25Å; E232-I236 WeakPolarHBondContact O-CG1 3.3Å; E232-I236 PolarHBondContact O-N 3.26Å; L234-I236 PolarHBondContact O-N 3.29Å; I236-G238 VanDerWaalsContact C-N 3.33Å
237	R	95.8	Very high	97	Very high	84 Å²	84	22.9 Å²	22.9	32%	0.317	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	11	179	-67	171	178.7	69.7	1.5	113.2	I100 Y233 L234 L235	I100-R237 HydrophobicContact CD1-CB 4.25Å; I100-R237 HydrophobicContact CG2-CB 3.96Å; I100-R237 HydrophobicContact CG2-CG 4.33Å; Y233-R237 VanDerWaalsContact O-CD 3.28Å; Y233-R237 WeakPolarHBondContact O-CD 3.37Å; Y233-R237 VanDerWaalsContact O-CG 3.27Å; Y233-R237 WeakPolarHBondContact O-CG 3.45Å; Y233-R237 PolarHBondContact O-NH1 3.31Å; L234-R237 CarbonylContact O-C 3.59Å; L234-R237 WeakPolarHBondContact O-CA 3.45Å; L234-R237 PolarHBondContact O-N 3.11Å; L235-R237 PolarHBondContact O-N 3.03Å
238	G	94	Very high	97	Very high	58 Å²	58	22.9 Å²	22.9	60%	0.598	13%	0.126	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.6	19.6	177.1	0	0	0	0	0	114.6	L234 L235 I236 T240	L234-G238 PolarHBondContact O-N 2.69Å; L235-G238 PolarHBondContact O-N 3.32Å; I236-G238 VanDerWaalsContact C-N 3.33Å; G238-T240 PolarHBondContact O-N 2.93Å
239	Y	94.6	Very high	97	Very high	18 Å²	18	22.9 Å²	22.9	7%	0.071	13%	0.126	C	C	.	.			trans	-58.1	131.2	176.6	179.3	-117.7	0	0	0	111.7	I100 L234 P241 F548 Q549 D552	I100-Y239 HydrophobicContact CD1-CD2 4.17Å; I100-Y239 HydrophobicContact CD1-CG 4.47Å; L234-Y239 VanDerWaalsContact C-CB 3.49Å; L234-Y239 HydrophobicContact CB-CD1 3.73Å; L234-Y239 HydrophobicContact CB-CG 3.86Å; L234-Y239 HydrophobicContact CD1-CD1 3.99Å; L234-Y239 HydrophobicContact CD1-CE1 4.06Å; L234-Y239 HydrophobicContact CD1-CG 4.45Å; L234-Y239 HydrophobicContact CD2-CD1 4.33Å; L234-Y239 HydrophobicContact CD2-CD2 4.15Å; L234-Y239 HydrophobicContact CD2-CG 3.96Å; L234-Y239 HydrophobicContact CG-CD1 4.23Å; L234-Y239 HydrophobicContact CG-CG 4.3Å; L234-Y239 WeakPolarHBondContact O-CB 3.41Å; L234-Y239 PolarHBondContact O-N 3.45Å; Y239-P241 HydrophobicContact CE1-CB 3.87Å; Y239-P241 HydrophobicContact CE1-CG 4.22Å; Y239-F548 HydrophobicContact CE1-CB 4.41Å; Y239-F548 PolarHBondContact OH-O 3.39Å; Y239-F548 VanDerWaalsContact OH-O 3.12Å; Y239-Q549 HydrophobicContact CE2-CG 4.09Å; Y239-D552 VanDerWaalsContact CE2-OD2 3.24Å; Y239-D552 WeakPolarHBondContact CE2-OD2 3.36Å; Y239-D552 VanDerWaalsContact CZ-OD2 3.32Å; Y239-D552 VanDerWaalsContact OH-CG 3.29Å; Y239-D552 PolarHBondContact OH-OD2 2.73Å
240	T	91.8	Very high	97	Very high	84 Å²	84	22.8 Å²	22.8	52%	0.515	13%	0.126	S	C	.	.			trans	-128.3	108.9	171	-59.8	0	0	0	0	107.2	G238	G238-T240 PolarHBondContact O-N 2.93Å
241	P	94.5	Very high	97	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.128	C	C	.	.			trans	-63.9	150.9	-177.2	23.6	-31.5	0	0	0	111.6	V171 S174 Y239 F245	V171-P241 HydrophobicContact CG1-CG 3.92Å; S174-P241 WeakPolarHBondContact CB-O 3.19Å; S174-P241 PolarHBondContact N-O 3.12Å; S174-P241 PolarHBondContact OG-O 2.86Å; Y239-P241 HydrophobicContact CE1-CB 3.87Å; Y239-P241 HydrophobicContact CE1-CG 4.22Å; P241-F245 HydrophobicContact CB-CE1 4.11Å; P241-F245 HydrophobicContact CG-CE1 4.03Å
242	R	95.1	Very high	96.9	Very high	57 Å²	57	23.4 Å²	23.4	22%	0.215	13%	0.129	C	C	.	.	S	Bend	trans	-79.9	-51.7	165	-68.5	170.6	72.6	-164.4	21.2	109.5	E95 S174 Q175 L178 D552	E95-R242 VanDerWaalsContact CD-NH1 3.32Å; E95-R242 IonicContact OE1-CZ 3.83Å; E95-R242 IonicContact OE1-NH1 3.36Å; E95-R242 PolarHBondContact OE1-NH1 2.87Å; E95-R242 IonicContact OE1-NH2 3.27Å; E95-R242 PolarHBondContact OE1-NH2 3.45Å; E95-R242 IonicContact OE2-NH1 2.65Å; E95-R242 PolarHBondContact OE2-NH1 2.86Å; S174-R242 PolarHBondContact N-O 2.96Å; S174-R242 WeakPolarHBondContact OG-CA 3.33Å; Q175-R242 HydrophobicContact CG-CB 4.46Å; Q175-R242 PolarHBondContact N-O 2.94Å; L178-R242 HydrophobicContact CD1-CB 4.34Å; R242-D552 WeakPolarHBondContact CA-OD1 3.36Å; R242-D552 HydrophobicContact CB-CB 4.11Å; R242-D552 WeakPolarHBondContact CD-O 3.21Å; R242-D552 HydrophobicContact CG-CB 4.39Å; R242-D552 VanDerWaalsContact N-CG 3.32Å; R242-D552 PolarHBondContact N-OD1 3.02Å; R242-D552 PolarHBondContact NE-O 2.96Å; R242-D552 PolarHBondContact NH1-O 3.21Å
243	R	96.6	Very high	96.8	Very high	12 Å²	12	24 Å²	24	5%	0.045	13%	0.132	C	C	.	.	S	Bend	trans	-89.3	123.4	179	-172.2	176.5	-58.2	-87.3	-0.9	110	L178 V179 Y181 C551 D552 I553 Q554	L178-R243 HydrophobicContact CB-CB 4.31Å; L178-R243 HydrophobicContact CB-CG 4.1Å; L178-R243 HydrophobicContact CD1-CB 4.11Å; V179-R243 PolarHBondContact O-NH1 2.83Å; Y181-R243 HydrophobicContact CD1-CG 4.08Å; Y181-R243 HydrophobicContact CE1-CB 4.49Å; Y181-R243 HydrophobicContact CE1-CG 4.19Å; R243-C551 WeakPolarHBondContact CD-O 3.45Å; R243-C551 PolarHBondContact NE-O 2.82Å; R243-D552 PolarHBondContact N-OD1 3.03Å; R243-I553 PolarHBondContact NH2-O 3.19Å; R243-Q554 PolarHBondContact NH2-O 3.28Å
244	G	97.6	Very high	96.7	Very high	12 Å²	12	25.3 Å²	25.3	12%	0.124	14%	0.138	C	C	.	.			trans	-63.7	157.7	173.1	0	0	0	0	0	111.2	V171 P180	V171-G244 WeakPolarHBondContact O-CA 3.33Å; P180-G244 WeakPolarHBondContact CA-O 3.48Å; P180-G244 WeakPolarHBondContact CB-O 3.35Å
245	F	98.8	Very high	96.4	Very high	1 Å²	1	26.3 Å²	26.3	0%	0.004	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	168.1	176.8	60.7	-93.7	0	0	0	112.7	V171 Y181 L231 P241 I247 F548	V171-F245 HydrophobicContact CB-CD1 4.19Å; V171-F245 HydrophobicContact CB-CD2 4.05Å; V171-F245 HydrophobicContact CB-CE1 3.83Å; V171-F245 HydrophobicContact CB-CE2 3.65Å; V171-F245 HydrophobicContact CB-CG 4.3Å; V171-F245 HydrophobicContact CB-CZ 3.54Å; V171-F245 HydrophobicContact CG1-CE1 3.9Å; V171-F245 HydrophobicContact CG1-CE2 4.36Å; V171-F245 HydrophobicContact CG1-CZ 3.75Å; V171-F245 HydrophobicContact CG2-CD2 3.96Å; V171-F245 HydrophobicContact CG2-CE1 4.34Å; V171-F245 HydrophobicContact CG2-CE2 3.3Å; V171-F245 HydrophobicContact CG2-CZ 3.53Å; V171-F245 PolarHBondContact N-O 3.04Å; V171-F245 PolarHBondContact O-N 2.81Å; V171-F245 VanDerWaalsContact O-N 3.11Å; Y181-F245 HydrophobicContact CD1-CB 3.85Å; Y181-F245 HydrophobicContact CD2-CB 3.99Å; Y181-F245 HydrophobicContact CE1-CB 3.58Å; Y181-F245 HydrophobicContact CE1-CD1 4.11Å; Y181-F245 HydrophobicContact CE1-CG 4.16Å; Y181-F245 HydrophobicContact CE2-CB 3.73Å; Y181-F245 HydrophobicContact CE2-CG 4.11Å; Y181-F245 HydrophobicContact CG-CB 4.04Å; Y181-F245 AromaticContact CZ-CD1 3.82Å; Y181-F245 AromaticContact CZ-CG 3.76Å; Y181-F245 CarbonylContact O-C 3.1Å; Y181-F245 VanDerWaalsContact O-CA 3.28Å; Y181-F245 WeakPolarHBondContact O-CA 3.43Å; Y181-F245 WeakPolarHBondContact O-CB 3.36Å; Y181-F245 WeakPolarHBondContact OH-CD1 3.47Å; L231-F245 HydrophobicContact CD1-CE2 4.44Å; L231-F245 HydrophobicContact CD1-CZ 3.84Å; L231-F245 HydrophobicContact CD2-CE2 4.42Å; P241-F245 HydrophobicContact CB-CE1 4.11Å; P241-F245 HydrophobicContact CG-CE1 4.03Å; F245-I247 HydrophobicContact CD2-CG1 4.34Å; F245-I247 HydrophobicContact CE2-CD1 4.13Å; F245-I247 HydrophobicContact CE2-CG1 4.3Å; F245-F548 HydrophobicContact CD1-CD1 4.42Å; F245-F548 HydrophobicContact CD2-CD1 4.38Å; F245-F548 AromaticContact CD2-CE1 3.91Å; F245-F548 HydrophobicContact CD2-CE1 3.91Å; F245-F548 AromaticContact CE1-CD1 3.88Å; F245-F548 HydrophobicContact CE1-CD1 3.88Å; F245-F548 HydrophobicContact CE1-CE1 4.23Å; F245-F548 AromaticContact CE2-CD1 3.84Å; F245-F548 HydrophobicContact CE2-CD1 3.84Å; F245-F548 AromaticContact CE2-CE1 3.32Å; F245-F548 HydrophobicContact CE2-CE1 3.32Å; F245-F548 HydrophobicContact CE2-CZ 4.21Å; F245-F548 AromaticContact CZ-CD1 3.56Å; F245-F548 HydrophobicContact CZ-CD1 3.56Å; F245-F548 AromaticContact CZ-CE1 3.5Å; F245-F548 HydrophobicContact CZ-CE1 3.5Å; F245-F548 VanDerWaalsContact CZ-CE1 3.5Å; F245-F548 HydrophobicContact CZ-CZ 4.44Å
246	Y	98.9	Very high	96.2	Very high	18 Å²	18	28.7 Å²	28.7	7%	0.071	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	152.1	174.3	-65.6	-91.5	0	0	0	110.4	L168 F169 R170 P180 Y181 L182 L183 M268 V273 L275	L168-Y246 HydrophobicContact CD1-CD1 4.08Å; F169-Y246 CarbonylContact O-C 3.56Å; F169-Y246 VanDerWaalsContact O-CA 3.22Å; F169-Y246 WeakPolarHBondContact O-CA 3.43Å; R170-Y246 HydrophobicContact CB-CD1 3.83Å; R170-Y246 HydrophobicContact CB-CE1 3.62Å; R170-Y246 HydrophobicContact CG-CD1 4.25Å; R170-Y246 HydrophobicContact CG-CE1 3.71Å; P180-Y246 HydrophobicContact CB-CD2 4.36Å; P180-Y246 HydrophobicContact CB-CE2 4.2Å; P180-Y246 HydrophobicContact CG-CD2 4.48Å; P180-Y246 HydrophobicContact CG-CE2 3.97Å; Y181-Y246 PolarHBondContact O-N 3.5Å; L182-Y246 WeakPolarHBondContact CA-O 3.42Å; L183-Y246 PolarHBondContact N-O 3.29Å; Y246-M268 HydrophobicContact CD1-CE 4.13Å; Y246-M268 HydrophobicContact CD2-CE 3.88Å; Y246-M268 HydrophobicContact CE2-CE 4.31Å; Y246-M268 HydrophobicContact CG-CE 3.79Å; Y246-V273 HydrophobicContact CD2-CG1 4.41Å; Y246-V273 HydrophobicContact CE2-CG1 3.72Å; Y246-V273 HydrophobicContact CE2-CG2 4.48Å; Y246-L275 HydrophobicContact CD2-CD2 3.94Å; Y246-L275 HydrophobicContact CE2-CD2 4.38Å
247	I	98.9	Very high	96.1	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	121.4	162.9	-58.6	158.7	0	0	0	106.3	F169 L183 I227 L228 L231 F245 L249 F548	F169-I247 HydrophobicContact CB-CB 4.15Å; F169-I247 HydrophobicContact CD2-CB 4.02Å; F169-I247 HydrophobicContact CD2-CG2 4.21Å; F169-I247 HydrophobicContact CG-CB 4.48Å; F169-I247 PolarHBondContact N-O 3.32Å; F169-I247 PolarHBondContact O-N 3.21Å; L183-I247 HydrophobicContact CB-CG1 4.45Å; L183-I247 WeakPolarHBondContact O-CA 3.24Å; I227-I247 HydrophobicContact CG2-CD1 3.63Å; I227-I247 HydrophobicContact CG2-CG1 3.83Å; I227-I247 HydrophobicContact CG2-CG2 3.85Å; L228-I247 HydrophobicContact CD2-CD1 4.5Å; L231-I247 HydrophobicContact CD2-CD1 3.78Å; F245-I247 HydrophobicContact CD2-CG1 4.34Å; F245-I247 HydrophobicContact CE2-CD1 4.13Å; F245-I247 HydrophobicContact CE2-CG1 4.3Å; I247-L249 HydrophobicContact CG2-CD2 3.77Å; I247-L249 HydrophobicContact CG2-CG 4.28Å; I247-F548 HydrophobicContact CD1-CZ 4.39Å
248	G	98.8	Very high	96.1	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	122.4	176.3	0	0	0	0	0	109.9	L183 L184 A185	L183-G248 PolarHBondContact O-N 2.96Å; L184-G248 WeakPolarHBondContact CA-O 3.37Å; L184-G248 WeakPolarHBondContact CD2-O 3.32Å; A185-G248 PolarHBondContact N-O 3.43Å
249	L	98.8	Very high	96.2	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	112.8	178	-52.3	-176.2	0	0	0	110.1	L144 S166 H167 F169 A185 I187 V224 L228 I247	L144-L249 HydrophobicContact CD1-CD1 4.37Å; S166-L249 VanDerWaalsContact CA-O 3.29Å; S166-L249 WeakPolarHBondContact CA-O 3.35Å; S166-L249 WeakPolarHBondContact CB-O 3.25Å; S166-L249 PolarHBondContact OG-O 2.91Å; H167-L249 HydrophobicContact CB-CB 4.05Å; H167-L249 HydrophobicContact CB-CD1 3.96Å; H167-L249 HydrophobicContact CB-CG 4.12Å; H167-L249 PolarHBondContact N-O 2.64Å; H167-L249 PolarHBondContact O-N 3.14Å; F169-L249 HydrophobicContact CE2-CD1 4Å; F169-L249 HydrophobicContact CE2-CG 4.4Å; A185-L249 HydrophobicContact CB-CD2 3.95Å; A185-L249 CarbonylContact O-C 3.54Å; A185-L249 VanDerWaalsContact O-CA 3.32Å; A185-L249 WeakPolarHBondContact O-CA 3.38Å; I187-L249 HydrophobicContact CG2-CB 3.88Å; I187-L249 HydrophobicContact CG2-CD1 4.19Å; V224-L249 HydrophobicContact CG1-CD1 3.94Å; V224-L249 HydrophobicContact CG1-CD2 4.42Å; V224-L249 HydrophobicContact CG2-CD2 4.37Å; L228-L249 HydrophobicContact CD1-CD1 4.2Å; I247-L249 HydrophobicContact CG2-CD2 3.77Å; I247-L249 HydrophobicContact CG2-CG 4.28Å
250	G	98.3	Very high	96.3	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.01	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	158.3	170.9	0	0	0	0	0	111.7	A185 I187	A185-G250 PolarHBondContact O-N 3.14Å; I187-G250 WeakPolarHBondContact CG1-O 3.44Å; I187-G250 PolarHBondContact N-O 3.03Å
251	H	98	Very high	96.6	Very high	10 Å²	10	19.1 Å²	19.1	5%	0.046	9%	0.086	C	C	.	.	S	Bend	trans	-136.7	11.6	175.4	76.3	-87.5	0	0	0	113.1	L137 Y165 S166 I187 D188 G260	L137-H251 HydrophobicContact CD2-CB 4.3Å; Y165-H251 AromaticContact CD2-CD2 3.93Å; Y165-H251 AromaticContact CD2-NE2 3.78Å; S166-H251 PolarHBondContact N-ND1 3.4Å; S166-H251 PolarHBondContact OG-N 2.85Å; S166-H251 PolarHBondContact OG-ND1 3.3Å; I187-H251 HydrophobicContact CD1-CB 4.06Å; I187-H251 HydrophobicContact CG1-CB 4.01Å; D188-H251 WeakPolarHBondContact OD1-CA 3.37Å; H251-G260 PolarHBondContact CE1-N 3.24Å; H251-G260 WeakPolarHBondContact ND1-CA 3.28Å
252	D	96.9	Very high	96.7	Very high	3 Å²	3	23.4 Å²	23.4	2%	0.016	11%	0.105	C	C	.	.	S	Bend	trans	-155.4	25.6	-175.4	78	-52.2	0	0	0	112.2	D188 E254 I255 R256 G257 F258 H259 G260	D188-D252 VanDerWaalsContact CG-N 3.31Å; D188-D252 PolarHBondContact OD1-N 2.9Å; D188-D252 WeakPolarHBondContact OD2-CA 3.49Å; D188-D252 PolarHBondContact OD2-N 3.35Å; D252-E254 PolarHBondContact O-N 3.31Å; D252-I255 HydrophobicContact CB-CD1 3.91Å; D252-I255 HydrophobicContact CB-CG1 3.67Å; D252-I255 CarbonylContact O-C 3.43Å; D252-I255 WeakPolarHBondContact O-CA 3.25Å; D252-I255 VanDerWaalsContact O-CG1 3.31Å; D252-I255 WeakPolarHBondContact O-CG1 3.42Å; D252-I255 PolarHBondContact O-N 2.98Å; D252-I255 VanDerWaalsContact O-N 3.11Å; D252-R256 PolarHBondContact O-N 3.48Å; D252-G257 PolarHBondContact O-N 2.68Å; D252-G257 WeakPolarHBondContact OD1-CA 3.26Å; D252-G257 VanDerWaalsContact OD2-C 3.29Å; D252-F258 PolarHBondContact OD2-N 2.91Å; D252-H259 IonicContact OD2-CD2 3.67Å; D252-H259 PolarHBondContact OD2-N 3.17Å; D252-G260 VanDerWaalsContact OD1-CA 3.23Å; D252-G260 WeakPolarHBondContact OD1-CA 3.49Å; D252-G260 PolarHBondContact OD1-N 2.8Å
253	E	96.8	Very high	96.9	Very high	23 Å²	23	22.5 Å²	22.5	11%	0.107	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-62.9	-45.3	-176.6	-156.1	-55.3	130.8	0	0	110.9	H186 D188 I255 R256 D498	H186-E253 HydrophobicContact CB-CB 3.69Å; H186-E253 HydrophobicContact CB-CG 4.46Å; D188-E253 PolarHBondContact OD1-N 2.85Å; D188-E253 VanDerWaalsContact OD1-N 3.15Å; D188-E253 PolarHBondContact OD2-N 3.14Å; E253-I255 PolarHBondContact O-N 3.42Å; E253-R256 VanDerWaalsContact O-CA 3.27Å; E253-R256 WeakPolarHBondContact O-CA 3.32Å; E253-R256 PolarHBondContact O-N 3.25Å; E253-D498 HydrophobicContact CG-CB 3.7Å; E253-D498 PolarHBondContact OE1-N 2.75Å
254	E	94.9	Very high	97	Very high	33 Å²	33	22 Å²	22	15%	0.154	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-58.6	-18.4	177.2	-64.4	-90.7	-131	0	0	112.4	V189 V190 D252 H526	V189-E254 WeakPolarHBondContact CA-OE1 3.05Å; V190-E254 HydrophobicContact CG1-CB 4.39Å; V190-E254 HydrophobicContact CG1-CG 4.38Å; V190-E254 VanDerWaalsContact CG1-OE1 3.3Å; V190-E254 WeakPolarHBondContact CG1-OE1 3.07Å; V190-E254 WeakPolarHBondContact CG1-OE2 3.2Å; V190-E254 PolarHBondContact N-OE1 2.93Å; D252-E254 PolarHBondContact O-N 3.31Å; E254-H526 IonicContact OE1-ND1 3.34Å; E254-H526 IonicContact OE2-CE1 2.74Å; E254-H526 PolarHBondContact OE2-CE1 3.15Å; E254-H526 IonicContact OE2-ND1 3.21Å; E254-H526 PolarHBondContact OE2-ND1 3.44Å
255	I	93	Very high	97	Very high	22 Å²	22	21.8 Å²	21.8	11%	0.113	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-122.2	34.3	172.6	57.5	173.7	0	0	0	111.8	S128 D252 E253	S128-I255 WeakPolarHBondContact O-CD1 3.38Å; D252-I255 HydrophobicContact CB-CD1 3.91Å; D252-I255 HydrophobicContact CB-CG1 3.67Å; D252-I255 CarbonylContact O-C 3.43Å; D252-I255 WeakPolarHBondContact O-CA 3.25Å; D252-I255 VanDerWaalsContact O-CG1 3.31Å; D252-I255 WeakPolarHBondContact O-CG1 3.42Å; D252-I255 PolarHBondContact O-N 2.98Å; D252-I255 VanDerWaalsContact O-N 3.11Å; E253-I255 PolarHBondContact O-N 3.42Å
256	R	91.5	Very high	97	Very high	65 Å²	65	26.8 Å²	26.8	25%	0.245	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.4	4.4	161.6	-43.9	170.5	77.2	177	10.7	117.9	E129 D252 E253 F258 D455 R500 H501	E129-R256 VanDerWaalsContact OE1-CD 3.25Å; E129-R256 WeakPolarHBondContact OE1-CD 3.46Å; E129-R256 IonicContact OE1-NH1 2.73Å; E129-R256 PolarHBondContact OE1-NH1 3.29Å; D252-R256 PolarHBondContact O-N 3.48Å; E253-R256 VanDerWaalsContact O-CA 3.27Å; E253-R256 WeakPolarHBondContact O-CA 3.32Å; E253-R256 PolarHBondContact O-N 3.25Å; R256-F258 VanDerWaalsContact C-N 3.33Å; R256-F258 HydrophobicContact CB-CD1 3.96Å; R256-F258 HydrophobicContact CB-CD2 4.42Å; R256-F258 HydrophobicContact CB-CE1 3.75Å; R256-F258 HydrophobicContact CB-CE2 4.22Å; R256-F258 HydrophobicContact CB-CG 4.32Å; R256-F258 HydrophobicContact CB-CZ 3.9Å; R256-F258 WeakPolarHBondContact O-CD1 3.38Å; R256-F258 PolarHBondContact O-N 2.74Å; R256-D455 IonicContact CZ-OD1 3.68Å; R256-D455 IonicContact NH1-OD1 3.78Å; R256-D455 IonicContact NH1-OD2 3.99Å; R256-D455 VanDerWaalsContact NH2-CG 3.27Å; R256-D455 IonicContact NH2-OD1 3.12Å; R256-D455 PolarHBondContact NH2-OD1 2.94Å; R256-D455 IonicContact NH2-OD2 2.79Å; R256-R500 PolarHBondContact O-NH2 2.8Å; R256-H501 PolarHBondContact O-CE1 2.84Å; R256-H501 VanDerWaalsContact O-CE1 3.26Å; R256-H501 PolarHBondContact O-NE2 3.11Å
257	G	94.9	Very high	97	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	12%	0.119	C	C	.	.	S	Bend	trans	73.1	21.8	172.4	0	0	0	0	0	115.1	D252 K262 D498	D252-G257 PolarHBondContact O-N 2.68Å; D252-G257 WeakPolarHBondContact OD1-CA 3.26Å; D252-G257 VanDerWaalsContact OD2-C 3.29Å; G257-K262 PolarHBondContact O-N 3.45Å; G257-K262 VanDerWaalsContact O-N 3.08Å; G257-D498 VanDerWaalsContact CA-OD1 3.23Å; G257-D498 WeakPolarHBondContact CA-OD1 3.49Å
258	F	95	Very high	97	Very high	51 Å²	51	26.7 Å²	26.7	22%	0.224	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-24.3	-171.5	-71.7	-3.6	0	0	0	113.7	D252 R256 K262	D252-F258 PolarHBondContact OD2-N 2.91Å; R256-F258 VanDerWaalsContact C-N 3.33Å; R256-F258 HydrophobicContact CB-CD1 3.96Å; R256-F258 HydrophobicContact CB-CD2 4.42Å; R256-F258 HydrophobicContact CB-CE1 3.75Å; R256-F258 HydrophobicContact CB-CE2 4.22Å; R256-F258 HydrophobicContact CB-CG 4.32Å; R256-F258 HydrophobicContact CB-CZ 3.9Å; R256-F258 WeakPolarHBondContact O-CD1 3.38Å; R256-F258 PolarHBondContact O-N 2.74Å; F258-K262 HydrophobicContact CD1-CD 4.05Å; F258-K262 VanDerWaalsContact CD1-CE 3.42Å
259	H	95.9	Very high	96.9	Very high	93 Å²	93	31.2 Å²	31.2	43%	0.431	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106	-36.3	-179.4	-65.1	-79.8	0	0	0	112.4	A163 D252 N263	A163-H259 WeakPolarHBondContact CB-O 3.49Å; D252-H259 IonicContact OD2-CD2 3.67Å; D252-H259 PolarHBondContact OD2-N 3.17Å; H259-N263 WeakPolarHBondContact O-CB 3.4Å; H259-N263 PolarHBondContact O-ND2 3.23Å
260	G	97.2	Very high	96.9	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-89.6	176	0	0	0	0	0	112.7	S166 H251 D252 K262 N263 I264	S166-G260 WeakPolarHBondContact OG-CA 3.22Å; H251-G260 PolarHBondContact CE1-N 3.24Å; H251-G260 WeakPolarHBondContact ND1-CA 3.28Å; D252-G260 VanDerWaalsContact OD1-CA 3.23Å; D252-G260 WeakPolarHBondContact OD1-CA 3.49Å; D252-G260 PolarHBondContact OD1-N 2.8Å; G260-K262 PolarHBondContact O-N 3.4Å; G260-N263 WeakPolarHBondContact O-CA 3.37Å; G260-N263 PolarHBondContact O-N 2.75Å; G260-I264 PolarHBondContact O-N 2.84Å
261	A	97.8	Very high	96.8	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.008	19%	0.187	C	C	.	.	H	α-helix	trans	-54.3	-44.4	-174	0	0	0	0	0	114.4	N263 I264 V265 D498 F502	A261-N263 PolarHBondContact O-N 3.47Å; A261-I264 PolarHBondContact O-N 2.75Å; A261-V265 WeakPolarHBondContact O-CB 3.28Å; A261-V265 WeakPolarHBondContact O-CG2 3.45Å; A261-V265 PolarHBondContact O-N 2.76Å; A261-D498 HydrophobicContact CB-CB 4.06Å; A261-D498 WeakPolarHBondContact CB-OD1 3.39Å; A261-D498 WeakPolarHBondContact CB-OD2 3.45Å; A261-F502 HydrophobicContact CB-CE2 3.66Å; A261-F502 HydrophobicContact CB-CZ 4.16Å
262	K	97.6	Very high	96.8	Very high	90 Å²	90	45.1 Å²	45.1	39%	0.391	22%	0.215	S	C	.	.	H	α-helix	trans	-57.3	-33.3	176.3	-77.6	-169.1	-174.5	165.2	0	113	G257 F258 G260 R266 H501	G257-K262 PolarHBondContact O-N 3.45Å; G257-K262 VanDerWaalsContact O-N 3.08Å; F258-K262 HydrophobicContact CD1-CD 4.05Å; F258-K262 VanDerWaalsContact CD1-CE 3.42Å; G260-K262 PolarHBondContact O-N 3.4Å; K262-R266 WeakPolarHBondContact O-CB 3.36Å; K262-R266 PolarHBondContact O-N 3.12Å; K262-H501 WeakPolarHBondContact CE-ND1 3.46Å; K262-H501 HydrophobicContact CG-CB 4.25Å; K262-H501 WeakPolarHBondContact CG-ND1 3.44Å
263	N	98.4	Very high	96.8	Very high	38 Å²	38	45.7 Å²	45.7	20%	0.203	22%	0.219	C	C	.	.	H	α-helix	trans	-79.7	-33.1	174	-80.1	-71.3	0	0	0	113	V162 A163 H259 G260 A261 R266 V267	V162-N263 HydrophobicContact CG1-CB 3.57Å; A163-N263 HydrophobicContact CB-CB 4.3Å; H259-N263 WeakPolarHBondContact O-CB 3.4Å; H259-N263 PolarHBondContact O-ND2 3.23Å; G260-N263 WeakPolarHBondContact O-CA 3.37Å; G260-N263 PolarHBondContact O-N 2.75Å; A261-N263 PolarHBondContact O-N 3.47Å; N263-R266 PolarHBondContact O-N 3.27Å; N263-R266 PolarHBondContact OD1-NE 2.9Å; N263-R266 PolarHBondContact OD1-NH2 2.9Å; N263-V267 WeakPolarHBondContact O-CG2 3.43Å; N263-V267 PolarHBondContact O-N 2.83Å
264	I	98.7	Very high	96.8	Very high	1 Å²	1	51 Å²	51	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-59.3	-50.8	169.7	-68.2	164.7	0	0	0	109.3	V162 L168 G260 A261 R266 V267 M268 F502	V162-I264 HydrophobicContact CB-CG1 4.15Å; V162-I264 HydrophobicContact CG1-CG1 4.1Å; V162-I264 HydrophobicContact CG2-CG1 4.27Å; L168-I264 HydrophobicContact CD1-CG2 4.04Å; L168-I264 HydrophobicContact CD2-CG2 4.47Å; G260-I264 PolarHBondContact O-N 2.84Å; A261-I264 PolarHBondContact O-N 2.75Å; I264-R266 VanDerWaalsContact C-N 3.31Å; I264-R266 PolarHBondContact O-N 2.86Å; I264-V267 PolarHBondContact O-N 3.11Å; I264-M268 HydrophobicContact CG2-CG 4.34Å; I264-M268 HydrophobicContact CG2-SD 3.7Å; I264-M268 WeakPolarHBondContact O-CB 3.5Å; I264-M268 VanDerWaalsContact O-CG 3.31Å; I264-M268 WeakPolarHBondContact O-CG 3.36Å; I264-M268 PolarHBondContact O-N 2.88Å; I264-F502 HydrophobicContact CB-CZ 4.24Å; I264-F502 HydrophobicContact CG2-CE1 3.88Å; I264-F502 HydrophobicContact CG2-CZ 3.9Å
265	V	98.4	Very high	97	Very high	7 Å²	7	49.9 Å²	49.9	4%	0.042	24%	0.236	C	C	.	.	H	α-helix	trans	-55.6	-44.4	175	170.9	0	0	0	0	111.3	A261 M268 K269 H501 F502 L505	A261-V265 WeakPolarHBondContact O-CB 3.28Å; A261-V265 WeakPolarHBondContact O-CG2 3.45Å; A261-V265 PolarHBondContact O-N 2.76Å; V265-M268 PolarHBondContact O-N 3.18Å; V265-K269 HydrophobicContact CG1-CD 3.89Å; V265-K269 HydrophobicContact CG1-CG 4.35Å; V265-K269 WeakPolarHBondContact O-CB 3.46Å; V265-K269 VanDerWaalsContact O-CG 3.28Å; V265-K269 WeakPolarHBondContact O-CG 3.42Å; V265-K269 PolarHBondContact O-N 3.12Å; V265-H501 HydrophobicContact CG2-CB 4Å; V265-H501 WeakPolarHBondContact CG2-O 3.19Å; V265-F502 HydrophobicContact CG2-CB 4.36Å; V265-F502 HydrophobicContact CG2-CD1 3.49Å; V265-F502 VanDerWaalsContact CG2-CD1 3.49Å; V265-F502 HydrophobicContact CG2-CD2 3.62Å; V265-F502 HydrophobicContact CG2-CE1 3.5Å; V265-F502 VanDerWaalsContact CG2-CE1 3.5Å; V265-F502 HydrophobicContact CG2-CE2 3.68Å; V265-F502 HydrophobicContact CG2-CG 3.54Å; V265-F502 HydrophobicContact CG2-CZ 3.6Å; V265-L505 HydrophobicContact CB-CD1 4.39Å; V265-L505 HydrophobicContact CG1-CD1 4.15Å; V265-L505 HydrophobicContact CG2-CD1 4.24Å
266	R	98.4	Very high	97.2	Very high	107 Å²	107	49.9 Å²	49.9	40%	0.404	24%	0.238	S	C	.	.	H	α-helix	trans	-60	-50.6	176.8	-176.8	-178.4	57.1	69.4	3.3	111.6	K262 N263 I264 M268 K269 E270	K262-R266 WeakPolarHBondContact O-CB 3.36Å; K262-R266 PolarHBondContact O-N 3.12Å; N263-R266 PolarHBondContact O-N 3.27Å; N263-R266 PolarHBondContact OD1-NE 2.9Å; N263-R266 PolarHBondContact OD1-NH2 2.9Å; I264-R266 VanDerWaalsContact C-N 3.31Å; I264-R266 PolarHBondContact O-N 2.86Å; R266-M268 VanDerWaalsContact C-N 3.32Å; R266-M268 PolarHBondContact O-N 3.08Å; R266-K269 PolarHBondContact O-N 2.93Å; R266-E270 WeakPolarHBondContact CD-OE1 3.06Å; R266-E270 HydrophobicContact CG-CG 4.46Å; R266-E270 WeakPolarHBondContact CG-OE1 2.99Å; R266-E270 IonicContact CZ-OE1 3.09Å; R266-E270 VanDerWaalsContact NH1-CD 3.27Å; R266-E270 IonicContact NH1-OE1 3.6Å; R266-E270 PolarHBondContact NH1-OE1 3.45Å; R266-E270 IonicContact NH1-OE2 3.99Å; R266-E270 PolarHBondContact NH1-OE2 3.24Å; R266-E270 WeakPolarHBondContact O-CB 3.47Å; R266-E270 VanDerWaalsContact O-CG 3.3Å; R266-E270 WeakPolarHBondContact O-CG 3.29Å; R266-E270 PolarHBondContact O-N 2.86Å
267	V	98.4	Very high	97.5	Very high	15 Å²	15	46.8 Å²	46.8	9%	0.091	23%	0.226	C	C	.	.	H	α-helix	trans	-62.3	-38	178.4	170.5	0	0	0	0	111.7	V162 L168 N263 I264 R271	V162-V267 HydrophobicContact CG1-CG2 4.42Å; L168-V267 HydrophobicContact CD2-CG1 4.15Å; N263-V267 WeakPolarHBondContact O-CG2 3.43Å; N263-V267 PolarHBondContact O-N 2.83Å; I264-V267 PolarHBondContact O-N 3.11Å; V267-R271 WeakPolarHBondContact O-CD 3.5Å; V267-R271 VanDerWaalsContact O-CG 3.27Å; V267-R271 WeakPolarHBondContact O-CG 3.35Å; V267-R271 PolarHBondContact O-N 2.91Å
268	M	98.5	Very high	97.7	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-68.8	-38.8	175.6	-69.3	178.6	81.6	0	0	112.3	L168 L182 Y246 I264 V265 R266 R271 G272 V273 L275 F502 L505	L168-M268 HydrophobicContact CD1-SD 4.39Å; L168-M268 HydrophobicContact CD2-CG 4.34Å; L182-M268 HydrophobicContact CD2-CE 4.38Å; L182-M268 HydrophobicContact CD2-SD 4.47Å; Y246-M268 HydrophobicContact CD1-CE 4.13Å; Y246-M268 HydrophobicContact CD2-CE 3.88Å; Y246-M268 HydrophobicContact CE2-CE 4.31Å; Y246-M268 HydrophobicContact CG-CE 3.79Å; I264-M268 HydrophobicContact CG2-CG 4.34Å; I264-M268 HydrophobicContact CG2-SD 3.7Å; I264-M268 WeakPolarHBondContact O-CB 3.5Å; I264-M268 VanDerWaalsContact O-CG 3.31Å; I264-M268 WeakPolarHBondContact O-CG 3.36Å; I264-M268 PolarHBondContact O-N 2.88Å; V265-M268 PolarHBondContact O-N 3.18Å; R266-M268 VanDerWaalsContact C-N 3.32Å; R266-M268 PolarHBondContact O-N 3.08Å; M268-R271 PolarHBondContact O-N 3.02Å; M268-G272 PolarHBondContact O-N 3.31Å; M268-V273 HydrophobicContact CB-CB 4.17Å; M268-V273 HydrophobicContact CB-CG2 4.3Å; M268-V273 HydrophobicContact CE-CB 4.49Å; M268-V273 HydrophobicContact CE-CG1 3.82Å; M268-V273 WeakPolarHBondContact O-CB 3.36Å; M268-V273 WeakPolarHBondContact O-CG2 3.48Å; M268-V273 PolarHBondContact O-N 3.36Å; M268-L275 HydrophobicContact CE-CD1 3.94Å; M268-L275 HydrophobicContact CE-CD2 3.95Å; M268-L275 HydrophobicContact CE-CG 4.33Å; M268-F502 HydrophobicContact SD-CE1 4.12Å; M268-L505 HydrophobicContact CB-CD1 3.89Å; M268-L505 HydrophobicContact CB-CD2 4.32Å; M268-L505 HydrophobicContact SD-CD1 4.28Å
269	K	98.1	Very high	97.9	Very high	95 Å²	95	44.4 Å²	44.4	41%	0.413	22%	0.216	S	C	.	.	H	α-helix	trans	-65.8	-44.3	173.3	-76.2	174.2	176.3	173.9	0	112.3	V265 R266 R271 G272 D504 L505	V265-K269 HydrophobicContact CG1-CD 3.89Å; V265-K269 HydrophobicContact CG1-CG 4.35Å; V265-K269 WeakPolarHBondContact O-CB 3.46Å; V265-K269 VanDerWaalsContact O-CG 3.28Å; V265-K269 WeakPolarHBondContact O-CG 3.42Å; V265-K269 PolarHBondContact O-N 3.12Å; R266-K269 PolarHBondContact O-N 2.93Å; K269-R271 PolarHBondContact O-N 3.22Å; K269-G272 PolarHBondContact O-N 2.91Å; K269-D504 WeakPolarHBondContact CE-OD2 3.32Å; K269-D504 IonicContact NZ-OD2 3.19Å; K269-D504 PolarHBondContact NZ-OD2 3.49Å; K269-L505 HydrophobicContact CG-CD2 3.86Å; K269-L505 HydrophobicContact CG-CG 4.49Å
270	E	97.9	Very high	98	Very high	125 Å²	125	40.1 Å²	40.1	58%	0.584	20%	0.196	S	C	*	.	H	α-helix	trans	-58	-29	175.4	-75.5	165.5	-176.6	0	0	112.1	R266	R266-E270 WeakPolarHBondContact CD-OE1 3.06Å; R266-E270 HydrophobicContact CG-CG 4.46Å; R266-E270 WeakPolarHBondContact CG-OE1 2.99Å; R266-E270 IonicContact CZ-OE1 3.09Å; R266-E270 VanDerWaalsContact NH1-CD 3.27Å; R266-E270 IonicContact NH1-OE1 3.6Å; R266-E270 PolarHBondContact NH1-OE1 3.45Å; R266-E270 IonicContact NH1-OE2 3.99Å; R266-E270 PolarHBondContact NH1-OE2 3.24Å; R266-E270 WeakPolarHBondContact O-CB 3.47Å; R266-E270 VanDerWaalsContact O-CG 3.3Å; R266-E270 WeakPolarHBondContact O-CG 3.29Å; R266-E270 PolarHBondContact O-N 2.86Å
271	R	97	Very high	97.8	Very high	116 Å²	116	40.7 Å²	40.7	44%	0.438	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	3.7	176	-67.6	169.1	-177.1	178.2	1.7	114.4	E160 V267 M268 K269 V273	E160-R271 VanDerWaalsContact CD-NH2 3.28Å; E160-R271 IonicContact OE1-CZ 2.75Å; E160-R271 VanDerWaalsContact OE1-CZ 3.31Å; E160-R271 IonicContact OE1-NH1 3.89Å; E160-R271 PolarHBondContact OE1-NH1 3.29Å; E160-R271 IonicContact OE1-NH2 2.73Å; E160-R271 PolarHBondContact OE1-NH2 3.4Å; E160-R271 IonicContact OE2-CZ 3.55Å; E160-R271 IonicContact OE2-NH1 3.83Å; E160-R271 IonicContact OE2-NH2 3.38Å; E160-R271 PolarHBondContact OE2-NH2 3.16Å; V267-R271 WeakPolarHBondContact O-CD 3.5Å; V267-R271 VanDerWaalsContact O-CG 3.27Å; V267-R271 WeakPolarHBondContact O-CG 3.35Å; V267-R271 PolarHBondContact O-N 2.91Å; M268-R271 PolarHBondContact O-N 3.02Å; K269-R271 PolarHBondContact O-N 3.22Å; R271-V273 VanDerWaalsContact C-N 3.26Å; R271-V273 HydrophobicContact CB-CG2 4Å; R271-V273 PolarHBondContact O-N 3.17Å
272	G	97.1	Very high	97.5	Very high	62 Å²	62	41.9 Å²	41.9	64%	0.639	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.2	21.9	-179.6	0	0	0	0	0	114.7	M268 K269	M268-G272 PolarHBondContact O-N 3.31Å; K269-G272 PolarHBondContact O-N 2.91Å
273	V	97.7	Very high	97.4	Very high	15 Å²	15	39 Å²	39	9%	0.091	20%	0.2	C	C	.	.			trans	-65.7	138.6	-176.3	-179.1	0	0	0	0	110.9	Y246 M268 R271 L275 L505	Y246-V273 HydrophobicContact CD2-CG1 4.41Å; Y246-V273 HydrophobicContact CE2-CG1 3.72Å; Y246-V273 HydrophobicContact CE2-CG2 4.48Å; M268-V273 HydrophobicContact CB-CB 4.17Å; M268-V273 HydrophobicContact CB-CG2 4.3Å; M268-V273 HydrophobicContact CE-CB 4.49Å; M268-V273 HydrophobicContact CE-CG1 3.82Å; M268-V273 WeakPolarHBondContact O-CB 3.36Å; M268-V273 WeakPolarHBondContact O-CG2 3.48Å; M268-V273 PolarHBondContact O-N 3.36Å; R271-V273 VanDerWaalsContact C-N 3.26Å; R271-V273 HydrophobicContact CB-CG2 4Å; R271-V273 PolarHBondContact O-N 3.17Å; V273-L275 HydrophobicContact CG1-CD2 3.87Å; V273-L275 HydrophobicContact CG1-CG 4.22Å; V273-L505 VanDerWaalsContact O-CD2 3.26Å; V273-L505 WeakPolarHBondContact O-CD2 3.44Å
274	K	97.2	Very high	97.3	Very high	133 Å²	133	37.2 Å²	37.2	58%	0.578	19%	0.191	S	C	*	.			trans	-127	146.6	165.5	-71.4	-64.7	-178.5	176.7	0	109.6	D504	K274-D504 PolarHBondContact NZ-O 3.28Å
275	L	98.3	Very high	97.2	Very high	10 Å²	10	37.2 Å²	37.2	5%	0.052	19%	0.19	C	C	.	.			trans	-122.8	134.9	-169.5	-61.2	171.4	0	0	0	111	P180 L182 Y246 M268 V273 V278 L505 S506	P180-L275 HydrophobicContact CG-CD2 4.38Å; P180-L275 CarbonylContact O-C 3.59Å; P180-L275 WeakPolarHBondContact O-CA 3.35Å; L182-L275 HydrophobicContact CB-CD1 3.67Å; L182-L275 HydrophobicContact CB-CD2 4.06Å; L182-L275 HydrophobicContact CB-CG 4.46Å; L182-L275 HydrophobicContact CD2-CD1 3.81Å; L182-L275 HydrophobicContact CG-CD1 4.41Å; Y246-L275 HydrophobicContact CD2-CD2 3.94Å; Y246-L275 HydrophobicContact CE2-CD2 4.38Å; M268-L275 HydrophobicContact CE-CD1 3.94Å; M268-L275 HydrophobicContact CE-CD2 3.95Å; M268-L275 HydrophobicContact CE-CG 4.33Å; V273-L275 HydrophobicContact CG1-CD2 3.87Å; V273-L275 HydrophobicContact CG1-CG 4.22Å; L275-V278 HydrophobicContact CD1-CG2 3.92Å; L275-L505 HydrophobicContact CD1-CB 3.84Å; L275-L505 HydrophobicContact CD1-CD1 4.49Å; L275-L505 HydrophobicContact CG-CB 4.33Å; L275-L505 PolarHBondContact N-O 3.4Å; L275-S506 WeakPolarHBondContact O-CB 3.48Å; L275-S506 PolarHBondContact O-OG 3Å
276	S	97.4	Very high	97	Very high	22 Å²	22	38.1 Å²	38.1	15%	0.154	20%	0.195	C	C	.	.	S	Bend	trans	-72.2	-31.9	176.8	57.9	0	0	0	0	112.5	V179 P180	V179-S276 PolarHBondContact O-OG 3.48Å; P180-S276 PolarHBondContact O-N 3.12Å; P180-S276 PolarHBondContact O-OG 2.92Å
277	F	98.6	Very high	96.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.187	C	C	.	.			trans	-158.9	165.4	161.9	67.2	-82.9	0	0	0	110.4	Y181 L182 L279 F470 D508 Y510	Y181-F277 WeakPolarHBondContact CA-O 3.39Å; Y181-F277 HydrophobicContact CD1-CE1 4.2Å; Y181-F277 HydrophobicContact CD1-CZ 4.43Å; Y181-F277 HydrophobicContact CD2-CE1 4.15Å; Y181-F277 HydrophobicContact CD2-CE2 4.16Å; Y181-F277 AromaticContact CD2-CZ 3.63Å; Y181-F277 HydrophobicContact CD2-CZ 3.63Å; Y181-F277 HydrophobicContact CE2-CZ 4.38Å; Y181-F277 HydrophobicContact CG-CD1 4.41Å; Y181-F277 AromaticContact CG-CE1 3.67Å; Y181-F277 HydrophobicContact CG-CE1 3.67Å; Y181-F277 HydrophobicContact CG-CE2 4.4Å; Y181-F277 AromaticContact CG-CZ 3.65Å; Y181-F277 HydrophobicContact CG-CZ 3.65Å; L182-F277 PolarHBondContact N-O 3.45Å; L182-F277 VanDerWaalsContact N-O 3.12Å; F277-L279 HydrophobicContact CD2-CB 4.19Å; F277-L279 HydrophobicContact CE2-CB 3.91Å; F277-F470 AromaticContact CD1-CD1 3.97Å; F277-F470 HydrophobicContact CD1-CD1 3.97Å; F277-F470 HydrophobicContact CD1-CE1 4.48Å; F277-F470 AromaticContact CE1-CD1 3.98Å; F277-F470 HydrophobicContact CE1-CD1 3.98Å; F277-F470 HydrophobicContact CE1-CE1 4.07Å; F277-D508 CarbonylContact C-O 3.58Å; F277-D508 WeakPolarHBondContact CA-O 3.48Å; F277-D508 HydrophobicContact CB-CB 4.13Å; F277-Y510 HydrophobicContact CB-CD2 4.08Å; F277-Y510 HydrophobicContact CB-CE2 3.88Å; F277-Y510 HydrophobicContact CD2-CD2 4.26Å; F277-Y510 HydrophobicContact CG-CD2 4.5Å
278	V	98.7	Very high	96.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	135.2	160.6	-176.2	0	0	0	0	107.9	L182 L184 L275 F502 D508 I509 Y510	L182-V278 HydrophobicContact CB-CG2 4.41Å; L182-V278 HydrophobicContact CD2-CG1 4.12Å; L182-V278 HydrophobicContact CD2-CG2 4.21Å; L182-V278 HydrophobicContact CG-CG1 4.34Å; L182-V278 WeakPolarHBondContact O-CA 3.4Å; L184-V278 HydrophobicContact CD1-CG1 3.61Å; L184-V278 HydrophobicContact CG-CG1 4.03Å; L275-V278 HydrophobicContact CD1-CG2 3.92Å; V278-F502 HydrophobicContact CG2-CB 4.22Å; V278-D508 PolarHBondContact N-O 2.96Å; V278-I509 HydrophobicContact CB-CB 4.5Å; V278-I509 HydrophobicContact CB-CG1 4.16Å; V278-I509 HydrophobicContact CB-CG2 4.26Å; V278-I509 HydrophobicContact CG2-CG1 4.19Å; V278-Y510 PolarHBondContact O-N 2.63Å
279	L	98.7	Very high	96.1	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.01	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	134.6	162.9	172.6	64.2	0	0	0	108.9	L182 L183 L184 F277 I475 Y510 F512 F543 Y544 L547	L182-L279 PolarHBondContact O-N 2.95Å; L183-L279 CarbonylContact C-O 3.59Å; L183-L279 WeakPolarHBondContact CA-O 3.46Å; L183-L279 HydrophobicContact CD2-CB 3.96Å; L183-L279 HydrophobicContact CD2-CD2 4.15Å; L183-L279 HydrophobicContact CD2-CG 4.47Å; L184-L279 PolarHBondContact N-O 2.96Å; F277-L279 HydrophobicContact CD2-CB 4.19Å; F277-L279 HydrophobicContact CE2-CB 3.91Å; L279-I475 HydrophobicContact CD1-CD1 3.9Å; L279-I475 HydrophobicContact CD2-CD1 4.47Å; L279-I475 HydrophobicContact CD2-CG1 4.32Å; L279-Y510 CarbonylContact C-O 3.59Å; L279-Y510 WeakPolarHBondContact CA-O 3.48Å; L279-F512 HydrophobicContact CD1-CB 4Å; L279-F543 HydrophobicContact CD2-CE1 4.29Å; L279-Y544 HydrophobicContact CD2-CE1 4.34Å; L279-L547 HydrophobicContact CD2-CD2 3.51Å
280	D	97.9	Very high	95.7	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.011	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	177.5	-176.5	-157	7.7	0	0	0	110.3	L184 T497 D498 S499 Y510 R511 F512	L184-D280 HydrophobicContact CB-CB 4.2Å; L184-D280 WeakPolarHBondContact CB-OD1 3.38Å; D280-T497 VanDerWaalsContact OD2-CB 3.32Å; D280-T497 WeakPolarHBondContact OD2-CB 3.38Å; D280-T497 PolarHBondContact OD2-OG1 2.99Å; D280-D498 PolarHBondContact OD2-N 3.06Å; D280-S499 WeakPolarHBondContact OD2-CA 3.16Å; D280-S499 WeakPolarHBondContact OD2-CB 3.34Å; D280-S499 PolarHBondContact OD2-N 3.48Å; D280-S499 PolarHBondContact OD2-OG 2.87Å; D280-Y510 PolarHBondContact N-O 2.84Å; D280-R511 HydrophobicContact CB-CG 4.46Å; D280-R511 CarbonylContact O-C 3.52Å; D280-R511 WeakPolarHBondContact O-CA 3.08Å; D280-F512 PolarHBondContact O-N 2.94Å
281	E	93.6	Very high	95.2	Very high	13 Å²	13	35.2 Å²	35.2	6%	0.061	22%	0.217	C	C	.	.	S	Bend	trans	-62	-172.7	173.9	72.9	-160.3	147.6	0	0	114.3	H186 D220 T497 R511 F512	H186-E281 IonicContact CD2-OE1 3.64Å; H186-E281 IonicContact CD2-OE2 3.13Å; H186-E281 PolarHBondContact CD2-OE2 3.47Å; H186-E281 IonicContact NE2-OE2 2.75Å; H186-E281 PolarHBondContact NE2-OE2 2.86Å; D220-E281 WeakPolarHBondContact CB-OE2 3.28Å; E281-T497 HydrophobicContact CG-CG2 3.48Å; E281-T497 VanDerWaalsContact CG-CG2 3.48Å; E281-R511 CarbonylContact O-C 3.47Å; E281-R511 WeakPolarHBondContact O-CA 3.23Å; E281-R511 WeakPolarHBondContact O-CB 3.1Å; E281-R511 VanDerWaalsContact O-CG 3.29Å; E281-R511 WeakPolarHBondContact O-CG 3.12Å; E281-F512 PolarHBondContact O-N 2.96Å
282	G	91.6	Very high	94.8	Very high	25 Å²	25	31.9 Å²	31.9	26%	0.258	22%	0.218	S	C	.	.	S	Bend	trans	120.6	-82.8	160.4	0	0	0	0	0	116.1
283	L	94.9	Very high	94.6	Very high	29 Å²	29	30 Å²	30	15%	0.152	19%	0.194	C	C	.	.			trans	-85.2	165.8	177.4	-62.3	-165	0	0	0	111.9	L299 C493 F512 A513	L283-L299 HydrophobicContact CB-CB 4.21Å; L283-L299 WeakPolarHBondContact CB-O 3.4Å; L283-L299 HydrophobicContact CD1-CB 3.81Å; L283-C493 HydrophobicContact CD2-CB 4.47Å; L283-F512 CarbonylContact O-C 3.6Å; L283-F512 WeakPolarHBondContact O-CA 3.44Å; L283-A513 PolarHBondContact O-N 3.38Å
284	A	95.7	Very high	94.3	Very high	2 Å²	2	35.3 Å²	35.3	2%	0.017	22%	0.221	C	C	.	.			trans	-151.3	-177.2	-160.4	0	0	0	0	0	113.8	L299 A513 V515 F517	A284-L299 PolarHBondContact O-N 3.36Å; A284-A513 WeakPolarHBondContact CA-O 3.42Å; A284-V515 WeakPolarHBondContact CB-O 3.47Å; A284-F517 HydrophobicContact CB-CD2 3.55Å; A284-F517 HydrophobicContact CB-CE1 4.34Å; A284-F517 HydrophobicContact CB-CE2 3.19Å; A284-F517 HydrophobicContact CB-CG 4.23Å; A284-F517 HydrophobicContact CB-CZ 3.61Å
285	I	96.9	Very high	94	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	116.2	170	-50.4	175.4	0	0	0	108.5	P296 A298 F483 L486 F512 V515 W516 F517	I285-P296 HydrophobicContact CG2-CB 4.43Å; I285-A298 HydrophobicContact CG1-CB 4.23Å; I285-F483 HydrophobicContact CD1-CD2 4.05Å; I285-F483 HydrophobicContact CD1-CE2 3.67Å; I285-F483 HydrophobicContact CD1-CZ 4.36Å; I285-L486 HydrophobicContact CD1-CD1 4.17Å; I285-L486 HydrophobicContact CG1-CD1 4.46Å; I285-L486 HydrophobicContact CG2-CD1 3.9Å; I285-L486 HydrophobicContact CG2-CD2 4.14Å; I285-F512 HydrophobicContact CG1-CE2 4.18Å; I285-F512 HydrophobicContact CG1-CZ 3.96Å; I285-V515 WeakPolarHBondContact CB-O 2.94Å; I285-V515 PolarHBondContact N-O 3.36Å; I285-W516 HydrophobicContact CB-CD2 4.19Å; I285-W516 HydrophobicContact CB-CE3 4.25Å; I285-W516 HydrophobicContact CD1-CD2 4.42Å; I285-W516 HydrophobicContact CD1-CZ2 4.28Å; I285-W516 HydrophobicContact CG2-CD2 3.89Å; I285-W516 HydrophobicContact CG2-CE3 3.54Å; I285-W516 HydrophobicContact CG2-CH2 3.97Å; I285-W516 HydrophobicContact CG2-CZ2 4.28Å; I285-W516 HydrophobicContact CG2-CZ3 3.59Å; I285-W516 WeakPolarHBondContact O-CA 3.08Å; I285-F517 PolarHBondContact O-N 2.86Å
286	L	95.3	Very high	93.8	Very high	26 Å²	26	31.1 Å²	31.1	14%	0.136	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	118.2	-176.1	-58.6	-173.1	0	0	0	110.4	V289 I290 P296 A297 L299 F517	L286-V289 HydrophobicContact CB-CB 4.23Å; L286-V289 HydrophobicContact CB-CG2 4.48Å; L286-V289 HydrophobicContact CD2-CB 4.5Å; L286-V289 HydrophobicContact CD2-CG2 4.41Å; L286-I290 HydrophobicContact CD1-CD1 4.04Å; L286-I290 HydrophobicContact CD1-CG1 4.05Å; L286-P296 WeakPolarHBondContact O-CA 3.22Å; L286-P296 WeakPolarHBondContact O-CB 3.31Å; L286-A297 PolarHBondContact N-O 2.84Å; L286-A297 PolarHBondContact O-N 2.87Å; L286-A297 VanDerWaalsContact O-N 3.07Å; L286-L299 HydrophobicContact CD1-CD1 3.65Å; L286-L299 HydrophobicContact CD1-CG 4.08Å; L286-F517 HydrophobicContact CD2-CB 4.03Å; L286-F517 HydrophobicContact CD2-CD2 3.83Å; L286-F517 HydrophobicContact CD2-CG 4.4Å
287	D	94.8	Very high	93.8	Very high	44 Å²	44	30.1 Å²	30.1	24%	0.235	21%	0.206	C	C	.	.	S	Bend	trans	-113.1	109.2	177.2	179.6	33	0	0	0	110.1	V289 P296 W516 F517 K518 P519	D287-V289 PolarHBondContact O-N 2.96Å; D287-V289 VanDerWaalsContact O-N 3.11Å; D287-P296 HydrophobicContact CB-CB 4.11Å; D287-W516 HydrophobicContact CB-CE3 4.2Å; D287-W516 HydrophobicContact CB-CZ3 4.47Å; D287-F517 PolarHBondContact N-O 2.86Å; D287-K518 HydrophobicContact CB-CG 4.31Å; D287-K518 IonicContact OD2-NZ 2.62Å; D287-K518 PolarHBondContact OD2-NZ 3.35Å; D287-P519 WeakPolarHBondContact O-CD 3.49Å
288	G	91.8	Very high	93.7	Very high	48 Å²	48	30.1 Å²	30.1	50%	0.495	21%	0.206	S	C	.	.	S	Bend	trans	70	-2.2	-178.1	0	0	0	0	0	116.3
289	V	90.2	Very high	93.6	Very high	59 Å²	59	30.9 Å²	30.9	36%	0.358	21%	0.211	S	C	.	.			trans	-70	-38.8	179.3	-178.3	0	0	0	0	112	L286 D287 S291 F517	L286-V289 HydrophobicContact CB-CB 4.23Å; L286-V289 HydrophobicContact CB-CG2 4.48Å; L286-V289 HydrophobicContact CD2-CB 4.5Å; L286-V289 HydrophobicContact CD2-CG2 4.41Å; D287-V289 PolarHBondContact O-N 2.96Å; D287-V289 VanDerWaalsContact O-N 3.11Å; V289-S291 PolarHBondContact O-N 2.83Å; V289-F517 HydrophobicContact CG2-CB 4.44Å; V289-F517 WeakPolarHBondContact CG2-O 2.72Å
290	I	89.4	Confident	93.6	Very high	32 Å²	32	30.8 Å²	30.8	16%	0.164	21%	0.21	C	C	.	.	S	Bend	trans	-82.5	109.5	177.7	-59.7	-179.7	0	0	0	109.3	L286 G292 L293 L299 L361 F365	L286-I290 HydrophobicContact CD1-CD1 4.04Å; L286-I290 HydrophobicContact CD1-CG1 4.05Å; I290-G292 PolarHBondContact O-N 2.94Å; I290-L293 HydrophobicContact CB-CB 4.03Å; I290-L293 HydrophobicContact CB-CD2 4.08Å; I290-L293 HydrophobicContact CD1-CD2 4.25Å; I290-L293 HydrophobicContact CG2-CB 4Å; I290-L293 HydrophobicContact CG2-CD2 4.45Å; I290-L293 WeakPolarHBondContact O-CB 3.21Å; I290-L293 PolarHBondContact O-N 2.96Å; I290-L299 HydrophobicContact CD1-CD1 4.45Å; I290-L361 HydrophobicContact CD1-CD1 3.6Å; I290-F365 HydrophobicContact CG2-CZ 4.08Å
291	S	87.2	Confident	93.5	Very high	100 Å²	100	30.7 Å²	30.7	70%	0.699	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	121.1	-176.4	-166.5	0	0	0	0	112.4	V289	V289-S291 PolarHBondContact O-N 2.83Å
292	G	88.6	Confident	93.7	Very high	46 Å²	46	30.1 Å²	30.1	47%	0.474	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.6	1.4	178.4	0	0	0	0	0	115.6	I290 F365	I290-G292 PolarHBondContact O-N 2.94Å; G292-F365 WeakPolarHBondContact O-CD1 3.43Å
293	L	92.8	Very high	93.9	Very high	23 Å²	23	29 Å²	29	12%	0.12	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-79.8	137.8	171.2	-165.2	75.6	0	0	0	110.5	I290 A297 L361 K364 F365	I290-L293 HydrophobicContact CB-CB 4.03Å; I290-L293 HydrophobicContact CB-CD2 4.08Å; I290-L293 HydrophobicContact CD1-CD2 4.25Å; I290-L293 HydrophobicContact CG2-CB 4Å; I290-L293 HydrophobicContact CG2-CD2 4.45Å; I290-L293 WeakPolarHBondContact O-CB 3.21Å; I290-L293 PolarHBondContact O-N 2.96Å; L293-A297 HydrophobicContact CD2-CB 3.99Å; L293-L361 HydrophobicContact CD1-CB 3.9Å; L293-L361 HydrophobicContact CD1-CD1 4.25Å; L293-L361 HydrophobicContact CD1-CD2 4.3Å; L293-L361 HydrophobicContact CD1-CG 4.38Å; L293-L361 HydrophobicContact CD2-CD1 4.4Å; L293-L361 HydrophobicContact CD2-CD2 4.47Å; L293-K364 HydrophobicContact CD1-CB 3.51Å; L293-K364 HydrophobicContact CD1-CG 4.5Å; L293-K364 HydrophobicContact CG-CB 4.12Å; L293-F365 HydrophobicContact CB-CE1 4.45Å; L293-F365 HydrophobicContact CB-CZ 4.49Å; L293-F365 HydrophobicContact CD1-CD2 4.03Å; L293-F365 HydrophobicContact CD1-CE1 4.44Å; L293-F365 HydrophobicContact CD1-CE2 3.66Å; L293-F365 HydrophobicContact CD1-CZ 3.88Å
294	D	91.3	Very high	93.8	Very high	125 Å²	125	27.6 Å²	27.6	67%	0.668	19%	0.188	S	C	*	.			trans	-89.5	121.5	171.9	-175.8	30.4	0	0	0	111.5	K364	D294-K364 VanDerWaalsContact CB-O 3.25Å; D294-K364 WeakPolarHBondContact CB-O 3.45Å; D294-K364 PolarHBondContact N-O 2.71Å; D294-K364 WeakPolarHBondContact O-CD 3.37Å
295	G	91.3	Very high	93.8	Very high	30 Å²	30	27.6 Å²	27.6	31%	0.309	19%	0.187	S	C	.	.	S	Bend	trans	65.2	-172.2	-175.4	0	0	0	0	0	114.8
296	P	94.4	Very high	93.7	Very high	26 Å²	26	27.6 Å²	27.6	17%	0.169	19%	0.187	C	C	.	.			trans	-90.7	159.5	-174.7	13.5	2.9	0	0	0	113.1	I285 L286 D287 L486 W516	I285-P296 HydrophobicContact CG2-CB 4.43Å; L286-P296 WeakPolarHBondContact O-CA 3.22Å; L286-P296 WeakPolarHBondContact O-CB 3.31Å; D287-P296 HydrophobicContact CB-CB 4.11Å; P296-L486 HydrophobicContact CB-CD2 3.57Å; P296-L486 HydrophobicContact CG-CD2 3.69Å; P296-L486 WeakPolarHBondContact O-CD2 3.31Å; P296-W516 HydrophobicContact CB-CZ3 3.77Å; P296-W516 HydrophobicContact CG-CH2 4.28Å; P296-W516 HydrophobicContact CG-CZ3 3.76Å
297	A	95.6	Very high	93.7	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	145.2	174.1	0	0	0	0	0	112	L286 L293 L361 T487	L286-A297 PolarHBondContact N-O 2.84Å; L286-A297 PolarHBondContact O-N 2.87Å; L286-A297 VanDerWaalsContact O-N 3.07Å; L293-A297 HydrophobicContact CD2-CB 3.99Å; A297-L361 HydrophobicContact CB-CD2 3.49Å; A297-L361 VanDerWaalsContact CB-CD2 3.49Å; A297-T487 CarbonylContact C-O 3.44Å; A297-T487 VanDerWaalsContact CA-O 3.27Å; A297-T487 WeakPolarHBondContact CA-O 3.36Å; A297-T487 WeakPolarHBondContact CB-O 3.04Å
298	A	96.7	Very high	93.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	126.8	171.6	0	0	0	0	0	109.9	I285 V479 L486 T487 V488 A489 F512	I285-A298 HydrophobicContact CG1-CB 4.23Å; A298-V479 HydrophobicContact CB-CG1 3.81Å; A298-L486 HydrophobicContact CB-CD1 4.4Å; A298-T487 PolarHBondContact N-O 2.88Å; A298-V488 HydrophobicContact CB-CG2 4.36Å; A298-V488 WeakPolarHBondContact O-CA 3.36Å; A298-A489 PolarHBondContact O-N 3.15Å; A298-F512 HydrophobicContact CB-CE2 3.95Å; A298-F512 HydrophobicContact CB-CZ 4.19Å
299	L	97	Very high	94	Very high	17 Å²	17	24.8 Å²	24.8	9%	0.089	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	123.1	174.2	-59.5	-168.8	0	0	0	110.1	L283 A284 L286 I290 T357 L361 A489 F512	L283-L299 HydrophobicContact CB-CB 4.21Å; L283-L299 WeakPolarHBondContact CB-O 3.4Å; L283-L299 HydrophobicContact CD1-CB 3.81Å; A284-L299 PolarHBondContact O-N 3.36Å; L286-L299 HydrophobicContact CD1-CD1 3.65Å; L286-L299 HydrophobicContact CD1-CG 4.08Å; I290-L299 HydrophobicContact CD1-CD1 4.45Å; L299-T357 HydrophobicContact CD1-CG2 4.16Å; L299-T357 HydrophobicContact CD2-CG2 3.79Å; L299-L361 HydrophobicContact CD2-CD1 4.36Å; L299-A489 WeakPolarHBondContact CA-O 3.49Å; L299-A489 HydrophobicContact CD2-CB 3.91Å; L299-F512 WeakPolarHBondContact O-CD2 3.49Å
300	I	97.9	Very high	94.4	Very high	0 Å²	0	22 Å²	22	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	115.5	172.6	-57.7	168.6	0	0	0	107.7	V302 F472 I475 K476 V488 A489 P490 G491 Y510 F512	I300-V302 PolarHBondContact O-N 2.91Å; I300-F472 HydrophobicContact CB-CD2 4.13Å; I300-F472 HydrophobicContact CB-CE2 3.74Å; I300-F472 HydrophobicContact CD1-CD2 4.05Å; I300-F472 HydrophobicContact CD1-CE2 3.91Å; I300-F472 HydrophobicContact CD1-CG 4.46Å; I300-F472 HydrophobicContact CD1-CZ 4.17Å; I300-F472 HydrophobicContact CG1-CE2 4.38Å; I300-F472 HydrophobicContact CG2-CD2 3.88Å; I300-F472 HydrophobicContact CG2-CE2 4Å; I300-I475 HydrophobicContact CD1-CB 3.95Å; I300-I475 HydrophobicContact CD1-CG2 3.49Å; I300-I475 VanDerWaalsContact CD1-CG2 3.49Å; I300-I475 HydrophobicContact CG1-CG2 3.85Å; I300-I475 HydrophobicContact CG2-CD1 4.45Å; I300-K476 HydrophobicContact CD1-CB 4.36Å; I300-V488 HydrophobicContact CD1-CG1 3.5Å; I300-V488 VanDerWaalsContact CD1-CG1 3.5Å; I300-V488 HydrophobicContact CG1-CG1 3.99Å; I300-A489 PolarHBondContact N-O 3.47Å; I300-P490 CarbonylContact O-C 3.59Å; I300-P490 WeakPolarHBondContact O-CA 3.47Å; I300-G491 PolarHBondContact O-N 3.06Å; I300-Y510 HydrophobicContact CG2-CD1 3.9Å; I300-Y510 HydrophobicContact CG2-CG 4.21Å; I300-F512 HydrophobicContact CG1-CB 4.44Å; I300-F512 HydrophobicContact CG1-CD2 4.48Å; I300-F512 HydrophobicContact CG1-CG 4.41Å; I300-F512 HydrophobicContact CG2-CB 4.49Å
301	G	97.3	Very high	94.8	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	111.8	-178.3	0	0	0	0	0	111.4	G491 Y510 R511	G301-G491 CarbonylContact C-O 3.34Å; G301-G491 WeakPolarHBondContact CA-O 3.01Å; G301-Y510 CarbonylContact O-C 3.56Å; G301-Y510 WeakPolarHBondContact O-CA 3.37Å; G301-R511 PolarHBondContact N-O 2.37Å; G301-R511 PolarHBondContact O-N 3.12Å
302	V	97.1	Very high	95.3	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.006	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	-10.4	-178.8	-66	0	0	0	0	113.5	I300 P353 V462 S463 F472 P490 G491 Y510	I300-V302 PolarHBondContact O-N 2.91Å; V302-P353 HydrophobicContact CG2-CB 3.63Å; V302-P353 HydrophobicContact CG2-CG 4.08Å; V302-V462 HydrophobicContact CB-CG1 4.38Å; V302-V462 HydrophobicContact CG2-CG1 3.86Å; V302-S463 WeakPolarHBondContact O-CB 3.47Å; V302-S463 PolarHBondContact O-N 2.98Å; V302-S463 PolarHBondContact O-OG 3.25Å; V302-S463 VanDerWaalsContact O-OG 3.11Å; V302-F472 HydrophobicContact CG1-CD2 4.04Å; V302-F472 HydrophobicContact CG1-CE2 3.97Å; V302-P490 HydrophobicContact CG1-CB 3.96Å; V302-P490 HydrophobicContact CG2-CB 4.22Å; V302-G491 WeakPolarHBondContact CG2-O 3.42Å; V302-G491 PolarHBondContact N-O 2.96Å; V302-Y510 HydrophobicContact CG1-CD1 4.21Å; V302-Y510 HydrophobicContact CG1-CE1 4.19Å
303	S	95.2	Very high	95.8	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	164.9	176.7	178.1	0	0	0	0	109.5	L460 C493	S303-L460 PolarHBondContact OG-O 3.43Å; S303-C493 PolarHBondContact O-N 3.16Å
304	E	93.6	Very high	96.1	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	151.2	169.9	57.4	173.8	-119.7	0	0	110.7	L460 C493 N496 T497 R500 R511	E304-L460 HydrophobicContact CG-CB 4.14Å; E304-L460 HydrophobicContact CG-CD1 3.62Å; E304-L460 HydrophobicContact CG-CG 3.66Å; E304-L460 PolarHBondContact O-N 2.95Å; E304-C493 WeakPolarHBondContact CA-O 3.26Å; E304-C493 HydrophobicContact CB-CB 4.13Å; E304-N496 PolarHBondContact OE1-ND2 3.47Å; E304-T497 PolarHBondContact OE2-N 2.75Å; E304-T497 PolarHBondContact OE2-OG1 3.13Å; E304-R500 WeakPolarHBondContact OE1-CB 3.15Å; E304-R500 WeakPolarHBondContact OE1-CD 3.33Å; E304-R511 IonicContact OE2-CZ 3.75Å; E304-R511 VanDerWaalsContact OE2-CZ 3.27Å; E304-R511 IonicContact OE2-NE 3.91Å; E304-R511 PolarHBondContact OE2-NE 3.03Å; E304-R511 IonicContact OE2-NH2 3.98Å; E304-R511 PolarHBondContact OE2-NH2 3.32Å
305	K	94.8	Very high	96.3	Very high	2 Å²	2	13.5 Å²	13.5	1%	0.009	9%	0.085	C	C	.	.			trans	-63.3	141.6	175.4	-67.8	-166.8	80.7	179.9	0	111	A395 R398 R426 I427 I492 C493 I494 N496	K305-A395 PolarHBondContact NZ-O 3.34Å; K305-R398 PolarHBondContact NZ-O 2.92Å; K305-R426 HydrophobicContact CD-CB 4.37Å; K305-R426 WeakPolarHBondContact CE-O 3.11Å; K305-R426 PolarHBondContact NZ-O 2.66Å; K305-I427 WeakPolarHBondContact CA-O 3.02Å; K305-I427 WeakPolarHBondContact CB-O 3.33Å; K305-I427 VanDerWaalsContact CE-O 3.29Å; K305-I427 WeakPolarHBondContact CE-O 3.36Å; K305-I492 HydrophobicContact CG-CD1 3.98Å; K305-I492 HydrophobicContact CG-CG1 4.33Å; K305-C493 PolarHBondContact N-O 3.01Å; K305-I494 HydrophobicContact CD-CB 4.45Å; K305-I494 HydrophobicContact CD-CG2 4.12Å; K305-N496 PolarHBondContact O-ND2 2.73Å
306	G	95.3	Very high	96.4	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	168.3	169.6	0	0	0	0	0	110.8	R426 I427 F457	G306-R426 CarbonylContact O-C 3.53Å; G306-R426 WeakPolarHBondContact O-CA 3.26Å; G306-I427 PolarHBondContact N-O 3.04Å; G306-I427 VanDerWaalsContact N-O 3.13Å; G306-I427 PolarHBondContact O-N 3.39Å; G306-F457 WeakPolarHBondContact CA-O 3.47Å
307	S	95	Very high	96.2	Very high	11 Å²	11	18 Å²	18	8%	0.077	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	146.6	-178.1	-168	0	0	0	0	111.1	L425 G456 F457	S307-L425 WeakPolarHBondContact CA-O 3.32Å; S307-G456 CarbonylContact O-C 3.58Å; S307-G456 WeakPolarHBondContact O-CA 3.31Å; S307-F457 PolarHBondContact N-O 3.48Å; S307-F457 VanDerWaalsContact N-O 3.09Å; S307-F457 PolarHBondContact O-N 2.98Å
308	A	96.3	Very high	95.7	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	146	171.2	0	0	0	0	0	112.4	N424 L425 I427 L433 L453 D455	A308-N424 WeakPolarHBondContact O-CA 3.35Å; A308-L425 HydrophobicContact CB-CB 4.34Å; A308-L425 HydrophobicContact CB-CD1 4.26Å; A308-L425 PolarHBondContact N-O 3.42Å; A308-L425 PolarHBondContact O-N 2.92Å; A308-I427 HydrophobicContact CB-CD1 4.46Å; A308-L433 HydrophobicContact CB-CD1 3.64Å; A308-L453 HydrophobicContact CB-CD1 3.99Å; A308-D455 WeakPolarHBondContact CA-O 3.38Å
309	N	96.9	Very high	95.1	Very high	48 Å²	48	23.4 Å²	23.4	26%	0.257	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	115.6	165.4	-66	-52.5	0	0	0	108.6	N424 I454 D455	N309-N424 PolarHBondContact OD1-ND2 2.93Å; N309-I454 HydrophobicContact CB-CB 4.35Å; N309-I454 WeakPolarHBondContact O-CB 3.46Å; N309-I454 PolarHBondContact O-N 3.18Å; N309-D455 WeakPolarHBondContact CB-OD2 3.46Å; N309-D455 PolarHBondContact N-O 2.69Å; N309-D455 PolarHBondContact ND2-OD1 3.1Å; N309-D455 PolarHBondContact ND2-OD2 2.95Å; N309-D455 PolarHBondContact O-N 2.88Å
310	V	97.9	Very high	94.5	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	124.4	179.9	178.5	0	0	0	0	109.2	L312 V423 L425 L437 I440 I451 E452 L453	V310-L312 HydrophobicContact CG1-CD2 4.33Å; V310-V423 PolarHBondContact N-O 3.3Å; V310-V423 PolarHBondContact O-N 3.49Å; V310-L425 HydrophobicContact CB-CD1 4.26Å; V310-L425 HydrophobicContact CG2-CD1 3.7Å; V310-L437 HydrophobicContact CG2-CD2 3.69Å; V310-I440 HydrophobicContact CG2-CD1 4.3Å; V310-I451 HydrophobicContact CG1-CG2 3.54Å; V310-E452 CarbonylContact C-O 3.43Å; V310-E452 WeakPolarHBondContact CA-O 3.45Å; V310-L453 HydrophobicContact CG2-CD1 4.13Å
311	K	98.4	Very high	93.9	Very high	30 Å²	30	29.9 Å²	29.9	13%	0.13	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	130.9	170.6	-171.4	177.5	75.3	166.4	0	110.2	E420 A421 Y422 E452 I454	K311-E420 WeakPolarHBondContact CD-OE1 3.33Å; K311-E420 WeakPolarHBondContact CE-OE1 3.38Å; K311-E420 IonicContact NZ-OE1 2.72Å; K311-E420 PolarHBondContact NZ-OE1 3.26Å; K311-A421 WeakPolarHBondContact CA-O 3.31Å; K311-Y422 HydrophobicContact CB-CD1 4.24Å; K311-Y422 HydrophobicContact CB-CE1 4.1Å; K311-Y422 HydrophobicContact CD-CE1 3.71Å; K311-Y422 HydrophobicContact CD-CE2 4.08Å; K311-Y422 VanDerWaalsContact CD-CZ 3.41Å; K311-Y422 WeakPolarHBondContact CD-OH 3.26Å; K311-Y422 HydrophobicContact CG-CD1 4.29Å; K311-Y422 HydrophobicContact CG-CE1 3.91Å; K311-Y422 HydrophobicContact CG-CE2 4.19Å; K311-E452 HydrophobicContact CB-CB 4.43Å; K311-E452 WeakPolarHBondContact CE-OE2 3.39Å; K311-E452 PolarHBondContact N-O 3.26Å; K311-E452 IonicContact NZ-OE2 3.2Å; K311-E452 PolarHBondContact O-N 3.12Å; K311-I454 HydrophobicContact CB-CD1 3.8Å; K311-I454 HydrophobicContact CB-CG1 3.82Å; K311-I454 HydrophobicContact CD-CD1 4.42Å
312	L	98.5	Very high	93.3	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	133	167.8	-55	176.4	0	0	0	107.7	V310 L333 V337 L340 E420 A421 V423 I440 V444 V449 K450 I451	V310-L312 HydrophobicContact CG1-CD2 4.33Å; L312-L333 HydrophobicContact CB-CD1 3.63Å; L312-V337 HydrophobicContact CD1-CG2 4.26Å; L312-L340 HydrophobicContact CD1-CD1 3.53Å; L312-E420 CarbonylContact O-C 3.55Å; L312-E420 WeakPolarHBondContact O-CA 3.44Å; L312-A421 HydrophobicContact CB-CB 4.49Å; L312-A421 PolarHBondContact N-O 3.48Å; L312-A421 PolarHBondContact O-N 3.16Å; L312-V423 HydrophobicContact CD1-CG2 3.77Å; L312-V423 HydrophobicContact CG-CG2 4.07Å; L312-I440 HydrophobicContact CD2-CG2 4.4Å; L312-V444 HydrophobicContact CD2-CG2 4.35Å; L312-V449 HydrophobicContact CB-CG1 4.14Å; L312-V449 HydrophobicContact CD2-CG1 4.36Å; L312-K450 CarbonylContact C-O 3.59Å; L312-K450 WeakPolarHBondContact CA-O 3.42Å; L312-I451 HydrophobicContact CD2-CB 4.26Å; L312-I451 HydrophobicContact CD2-CD1 4.12Å; L312-I451 HydrophobicContact CD2-CG1 3.79Å; L312-I451 HydrophobicContact CD2-CG2 3.97Å
313	S	98.4	Very high	92.9	Very high	7 Å²	7	40.4 Å²	40.4	5%	0.049	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	145.8	178.4	55.1	0	0	0	0	112.8	A419 V449 K450	S313-A419 WeakPolarHBondContact CA-O 3.34Å; S313-V449 CarbonylContact O-C 3.54Å; S313-V449 WeakPolarHBondContact O-CA 3.34Å; S313-K450 PolarHBondContact N-O 2.92Å; S313-K450 PolarHBondContact O-N 3.05Å
314	V	98.3	Very high	92.5	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.012	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	121.8	176.6	-179.9	0	0	0	0	109.1	M316 I332 L333 A419 V449	V314-M316 HydrophobicContact CG1-CG 4.21Å; V314-I332 HydrophobicContact CG1-CB 4.2Å; V314-I332 HydrophobicContact CG1-CD1 4.23Å; V314-I332 HydrophobicContact CG1-CG2 4.19Å; V314-I332 HydrophobicContact CG2-CB 4.3Å; V314-I332 HydrophobicContact CG2-CG2 3.87Å; V314-L333 HydrophobicContact CB-CB 4.48Å; V314-L333 HydrophobicContact CG2-CB 3.88Å; V314-L333 HydrophobicContact CG2-CD1 4.33Å; V314-A419 PolarHBondContact N-O 2.64Å; V314-A419 PolarHBondContact O-N 3.26Å; V314-A419 VanDerWaalsContact O-N 3.08Å; V314-V449 HydrophobicContact CG2-CB 4.31Å; V314-V449 HydrophobicContact CG2-CG1 4.47Å; V314-V449 HydrophobicContact CG2-CG2 3.79Å
315	T	96.8	Very high	92.3	Very high	109 Å²	109	47.8 Å²	47.8	67%	0.669	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.2	129.4	177.4	-52.8	0	0	0	0	110.2	S417	T315-S417 CarbonylContact C-O 3.49Å; T315-S417 VanDerWaalsContact CA-O 3.27Å; T315-S417 WeakPolarHBondContact CA-O 3.32Å
316	M	93.8	Very high	92.2	Very high	65 Å²	65	59.7 Å²	59.7	32%	0.32	34%	0.338	S	S	.	.			trans	-138.5	170.4	176.8	-65	-173.8	75	0	0	110.6	V314 S328 S329 I332 S417	V314-M316 HydrophobicContact CG1-CG 4.21Å; M316-S328 VanDerWaalsContact SD-C 3.54Å; M316-S329 PolarHBondContact SD-N 3.03Å; M316-I332 HydrophobicContact CE-CD1 4.42Å; M316-I332 HydrophobicContact SD-CD1 3.68Å; M316-S417 PolarHBondContact N-O 3.35Å; M316-S417 WeakPolarHBondContact O-CA 3.27Å; M316-S417 WeakPolarHBondContact O-CB 3.5Å
317	A	89.4	Confident	92.2	Very high	85 Å²	85	63.8 Å²	63.8	70%	0.702	36%	0.358	S	S	*	.			trans	-64.6	138.3	166.8	0	0	0	0	0	110.5
318	P	85.6	Confident	92.2	Very high	90 Å²	90	65 Å²	65	58%	0.584	37%	0.366	S	S	*	.			trans	-69.6	151.5	174.3	30.9	-33.8	0	0	0	110.7	I415	P318-I415 WeakPolarHBondContact CA-O 3.29Å
319	G	83.1	Confident	92.1	Very high	24 Å²	24	65 Å²	65	25%	0.247	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	158.2	-174.5	0	0	0	0	0	114.3	I415	G319-I415 PolarHBondContact N-O 3.09Å; G319-I415 VanDerWaalsContact N-O 3.15Å; G319-I415 WeakPolarHBondContact O-CB 3.49Å; G319-I415 PolarHBondContact O-N 2.72Å
320	H	85.6	Confident	92.1	Very high	99 Å²	99	65.9 Å²	65.9	46%	0.458	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	132.8	173.3	-166.7	-101.6	0	0	0	110.2	S322 M323	H320-S322 PolarHBondContact CE1-OG 3.28Å; H320-S322 PolarHBondContact ND1-OG 3.19Å; H320-S322 PolarHBondContact O-N 3.09Å; H320-S322 VanDerWaalsContact O-N 3.08Å; H320-M323 HydrophobicContact CB-CE 4.48Å; H320-M323 CarbonylContact O-C 3.5Å; H320-M323 PolarHBondContact O-N 2.79Å
321	S	84.4	Confident	92.1	Very high	55 Å²	55	67.6 Å²	67.6	39%	0.385	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-21.8	-172	63.8	0	0	0	0	115.1	M323 N413	S321-M323 VanDerWaalsContact C-N 3.3Å; S321-N413 PolarHBondContact N-O 3.09Å; S321-N413 WeakPolarHBondContact OG-CA 3.25Å; S321-N413 PolarHBondContact OG-O 3.2Å
322	S	85.6	Confident	92.1	Very high	81 Å²	81	66.3 Å²	66.3	57%	0.566	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-7.8	175.5	76.1	0	0	0	0	114.5	H320	H320-S322 PolarHBondContact CE1-OG 3.28Å; H320-S322 PolarHBondContact ND1-OG 3.19Å; H320-S322 PolarHBondContact O-N 3.09Å; H320-S322 VanDerWaalsContact O-N 3.08Å
323	M	87.1	Confident	92	Very high	140 Å²	140	66.3 Å²	66.3	69%	0.69	38%	0.383	S	S	*	.	S	Bend	trans	-136.9	61.9	-179.2	-72	172.6	-83.9	0	0	109.5	H320 S321	H320-M323 HydrophobicContact CB-CE 4.48Å; H320-M323 CarbonylContact O-C 3.5Å; H320-M323 PolarHBondContact O-N 2.79Å; S321-M323 VanDerWaalsContact C-N 3.3Å
324	P	88.1	Confident	92	Very high	88 Å²	88	67.9 Å²	67.9	57%	0.571	40%	0.396	S	S	*	.			trans	-72	142.8	-173.7	30.5	-35.3	0	0	0	112.2	I415	P324-I415 HydrophobicContact CB-CD1 3.83Å
325	P	90.1	Very high	92	Very high	68 Å²	68	69.6 Å²	69.6	44%	0.442	41%	0.411	S	S	.	.			trans	-67.9	162.4	164.7	31.5	-34.1	0	0	0	110.8	E327	P325-E327 VanDerWaalsContact CG-O 3.29Å; P325-E327 WeakPolarHBondContact CG-O 3.22Å; P325-E327 PolarHBondContact O-N 3.12Å
326	R	92.4	Very high	92.1	Very high	251 Å²	251	64.4 Å²	64.4	95%	0.947	38%	0.379	S	S	*	.	S	Bend	trans	-58.2	-32.8	179.6	-179.1	178.5	174.7	176.3	-1.4	113.5
327	E	93.8	Very high	92.3	Very high	87 Å²	87	62 Å²	62	41%	0.407	37%	0.367	S	S	.	.	S	Bend	trans	-132.7	145.1	175.9	-67.8	174.2	94.7	0	0	108.8	P325 I332 R448	P325-E327 VanDerWaalsContact CG-O 3.29Å; P325-E327 WeakPolarHBondContact CG-O 3.22Å; P325-E327 PolarHBondContact O-N 3.12Å; E327-I332 HydrophobicContact CB-CD1 4.2Å; E327-I332 HydrophobicContact CB-CG1 4.13Å; E327-R448 IonicContact OE1-CZ 3.78Å; E327-R448 IonicContact OE1-NH1 3.05Å; E327-R448 PolarHBondContact OE1-NH1 3.43Å; E327-R448 IonicContact OE1-NH2 3.87Å; E327-R448 PolarHBondContact OE1-NH2 2.88Å; E327-R448 IonicContact OE2-CZ 3.03Å; E327-R448 IonicContact OE2-NH1 2.77Å; E327-R448 PolarHBondContact OE2-NH1 2.68Å; E327-R448 IonicContact OE2-NH2 3.95Å
328	S	94.9	Very high	92.7	Very high	35 Å²	35	63 Å²	63	25%	0.245	36%	0.356	C	S	.	.			trans	-117	162.7	176	66.6	0	0	0	0	111	M316 I330 G331 I332	M316-S328 VanDerWaalsContact SD-C 3.54Å; S328-I330 VanDerWaalsContact C-N 3.25Å; S328-I330 PolarHBondContact O-N 3.4Å; S328-G331 PolarHBondContact O-N 3.16Å; S328-G331 PolarHBondContact OG-N 3.47Å; S328-G331 VanDerWaalsContact OG-N 3.12Å; S328-I332 WeakPolarHBondContact O-CG1 3.46Å; S328-I332 PolarHBondContact O-N 2.82Å
329	S	96.1	Very high	93.3	Very high	1 Å²	1	62.3 Å²	62.3	1%	0.007	34%	0.342	C	S	.	.	H	α-helix	trans	-50.2	-46.6	173.6	49.3	0	0	0	0	111.8	M316 L333 P416	M316-S329 PolarHBondContact SD-N 3.03Å; S329-L333 WeakPolarHBondContact O-CB 3.43Å; S329-L333 PolarHBondContact O-N 3.33Å; S329-L333 VanDerWaalsContact O-N 3.07Å; S329-P416 PolarHBondContact OG-O 3.43Å
330	I	96.3	Very high	93.9	Very high	66 Å²	66	61.4 Å²	61.4	34%	0.338	33%	0.331	S	S	.	.	H	α-helix	trans	-59.2	-50.1	173.3	-61.4	179.2	0	0	0	111.2	S328 I332 L333 A334 A408 P416 A419	S328-I330 VanDerWaalsContact C-N 3.25Å; S328-I330 PolarHBondContact O-N 3.4Å; I330-I332 PolarHBondContact O-N 3.45Å; I330-L333 PolarHBondContact O-N 3.47Å; I330-A334 WeakPolarHBondContact O-CB 3.39Å; I330-A334 PolarHBondContact O-N 3.08Å; I330-A408 HydrophobicContact CD1-CB 3.85Å; I330-A408 HydrophobicContact CG1-CB 3.54Å; I330-P416 HydrophobicContact CD1-CG 3.8Å; I330-P416 HydrophobicContact CG1-CG 3.97Å; I330-A419 HydrophobicContact CG1-CB 4.44Å
331	G	97	Very high	94.4	Very high	37 Å²	37	62.9 Å²	62.9	38%	0.381	34%	0.338	S	S	.	.	H	α-helix	trans	-62.9	-42.2	-175.7	0	0	0	0	0	113.2	S328 A335	S328-G331 PolarHBondContact O-N 3.16Å; S328-G331 PolarHBondContact OG-N 3.47Å; S328-G331 VanDerWaalsContact OG-N 3.12Å; G331-A335 WeakPolarHBondContact O-CB 3.37Å; G331-A335 PolarHBondContact O-N 3.26Å
332	I	97.9	Very high	95	Very high	3 Å²	3	65.8 Å²	65.8	2%	0.015	35%	0.346	C	S	.	.	H	α-helix	trans	-65.9	-48.7	177.4	-62.9	168	0	0	0	110.2	V314 M316 E327 S328 I330 A335 A336 R448 V449	V314-I332 HydrophobicContact CG1-CB 4.2Å; V314-I332 HydrophobicContact CG1-CD1 4.23Å; V314-I332 HydrophobicContact CG1-CG2 4.19Å; V314-I332 HydrophobicContact CG2-CB 4.3Å; V314-I332 HydrophobicContact CG2-CG2 3.87Å; M316-I332 HydrophobicContact CE-CD1 4.42Å; M316-I332 HydrophobicContact SD-CD1 3.68Å; E327-I332 HydrophobicContact CB-CD1 4.2Å; E327-I332 HydrophobicContact CB-CG1 4.13Å; S328-I332 WeakPolarHBondContact O-CG1 3.46Å; S328-I332 PolarHBondContact O-N 2.82Å; I330-I332 PolarHBondContact O-N 3.45Å; I332-A335 PolarHBondContact O-N 3.39Å; I332-A336 PolarHBondContact O-N 3.37Å; I332-R448 HydrophobicContact CG2-CB 4.37Å; I332-V449 HydrophobicContact CG2-CG2 3.98Å
333	L	98.4	Very high	95.5	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-67.5	-41.4	-178.9	-176	63.3	0	0	0	112.4	L312 V314 S329 I330 A335 A336 V337 F406 A419 E420 A421 V449	L312-L333 HydrophobicContact CB-CD1 3.63Å; V314-L333 HydrophobicContact CB-CB 4.48Å; V314-L333 HydrophobicContact CG2-CB 3.88Å; V314-L333 HydrophobicContact CG2-CD1 4.33Å; S329-L333 WeakPolarHBondContact O-CB 3.43Å; S329-L333 PolarHBondContact O-N 3.33Å; S329-L333 VanDerWaalsContact O-N 3.07Å; I330-L333 PolarHBondContact O-N 3.47Å; L333-A335 VanDerWaalsContact C-N 3.29Å; L333-A335 PolarHBondContact O-N 3.34Å; L333-A336 WeakPolarHBondContact O-CB 3.2Å; L333-A336 PolarHBondContact O-N 2.81Å; L333-A336 VanDerWaalsContact O-N 3.13Å; L333-V337 PolarHBondContact O-N 2.66Å; L333-F406 HydrophobicContact CB-CE2 4.48Å; L333-F406 HydrophobicContact CB-CZ 4.2Å; L333-F406 HydrophobicContact CD2-CE1 4.41Å; L333-F406 HydrophobicContact CD2-CE2 3.89Å; L333-F406 HydrophobicContact CD2-CZ 3.8Å; L333-F406 HydrophobicContact CG-CE2 3.82Å; L333-F406 HydrophobicContact CG-CZ 3.92Å; L333-A419 HydrophobicContact CB-CB 4.24Å; L333-A419 VanDerWaalsContact CD2-C 3.49Å; L333-A419 HydrophobicContact CD2-CB 3.67Å; L333-E420 VanDerWaalsContact CD2-C 3.48Å; L333-A421 HydrophobicContact CD1-CB 4.34Å; L333-A421 HydrophobicContact CD2-CB 4Å; L333-A421 HydrophobicContact CG-CB 4.34Å; L333-V449 HydrophobicContact CD1-CG1 4.34Å
334	A	98.3	Very high	95.9	Very high	40 Å²	40	62.4 Å²	62.4	33%	0.331	33%	0.328	S	S	.	.	H	α-helix	trans	-62.7	-37.4	175.8	0	0	0	0	0	111.5	I330 A336 K338 F406	I330-A334 WeakPolarHBondContact O-CB 3.39Å; I330-A334 PolarHBondContact O-N 3.08Å; A334-A336 VanDerWaalsContact C-N 3.35Å; A334-K338 WeakPolarHBondContact O-CB 3.25Å; A334-K338 PolarHBondContact O-N 2.82Å; A334-F406 HydrophobicContact CB-CZ 4.31Å
335	A	98.2	Very high	96.2	Very high	38 Å²	38	58.3 Å²	58.3	31%	0.314	30%	0.301	S	S	.	.	H	α-helix	trans	-66.5	-35.1	173.5	0	0	0	0	0	112.6	G331 I332 L333 R339	G331-A335 WeakPolarHBondContact O-CB 3.37Å; G331-A335 PolarHBondContact O-N 3.26Å; I332-A335 PolarHBondContact O-N 3.39Å; L333-A335 VanDerWaalsContact C-N 3.29Å; L333-A335 PolarHBondContact O-N 3.34Å; A335-R339 VanDerWaalsContact C-NH1 3.31Å; A335-R339 WeakPolarHBondContact O-CG 3.46Å; A335-R339 PolarHBondContact O-N 2.8Å; A335-R339 VanDerWaalsContact O-N 3.11Å; A335-R339 PolarHBondContact O-NH1 2.86Å
336	A	98.2	Very high	96.5	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-71	-44.3	175.3	0	0	0	0	0	112.8	I332 L333 A334 R339 L340 V444 V449	I332-A336 PolarHBondContact O-N 3.37Å; L333-A336 WeakPolarHBondContact O-CB 3.2Å; L333-A336 PolarHBondContact O-N 2.81Å; L333-A336 VanDerWaalsContact O-N 3.13Å; A334-A336 VanDerWaalsContact C-N 3.35Å; A336-R339 PolarHBondContact O-N 3.11Å; A336-L340 PolarHBondContact O-N 2.78Å; A336-V444 HydrophobicContact CB-CG1 4.08Å; A336-V444 HydrophobicContact CB-CG2 4.43Å; A336-V449 HydrophobicContact CB-CG2 3.9Å
337	V	98.1	Very high	96.5	Very high	13 Å²	13	51 Å²	51	8%	0.079	27%	0.272	C	S	.	.	H	α-helix	trans	-58.1	-49.2	172.2	159.3	0	0	0	0	110.7	L312 L333 R339 L340 E341 V403 F406 A421	L312-V337 HydrophobicContact CD1-CG2 4.26Å; L333-V337 PolarHBondContact O-N 2.66Å; V337-R339 VanDerWaalsContact C-N 3.28Å; V337-R339 PolarHBondContact O-N 3.38Å; V337-L340 WeakPolarHBondContact O-CB 3.48Å; V337-L340 PolarHBondContact O-N 3.02Å; V337-E341 PolarHBondContact O-N 3.34Å; V337-V403 HydrophobicContact CG1-CG2 4.04Å; V337-F406 HydrophobicContact CG2-CD2 4.2Å; V337-F406 HydrophobicContact CG2-CE2 4.02Å; V337-A421 HydrophobicContact CG2-CB 3.88Å
338	K	97.8	Very high	96.5	Very high	108 Å²	108	48.3 Å²	48.3	47%	0.47	26%	0.261	S	S	.	.	H	α-helix	trans	-56.8	-40	176.6	-178.2	175.2	-176.7	-69.2	0	112.4	A334 L340 E341 E342	A334-K338 WeakPolarHBondContact O-CB 3.25Å; A334-K338 PolarHBondContact O-N 2.82Å; K338-L340 PolarHBondContact O-N 2.91Å; K338-E341 PolarHBondContact O-N 3.01Å; K338-E342 WeakPolarHBondContact CE-OE1 3.28Å; K338-E342 HydrophobicContact CG-CG 4.41Å; K338-E342 IonicContact NZ-OE1 3.16Å; K338-E342 PolarHBondContact NZ-OE1 2.88Å; K338-E342 IonicContact NZ-OE2 3.4Å; K338-E342 PolarHBondContact NZ-OE2 2.89Å; K338-E342 WeakPolarHBondContact O-CB 3.33Å; K338-E342 WeakPolarHBondContact O-CG 3.41Å; K338-E342 PolarHBondContact O-N 3.44Å
339	R	97.9	Very high	96.4	Very high	75 Å²	75	47.3 Å²	47.3	28%	0.283	25%	0.252	S	S	.	.	H	α-helix	trans	-62.2	-39.5	174.7	-78.2	-172	-65	-81.4	13.5	112.5	A335 A336 V337 N343 T443 V444	A335-R339 VanDerWaalsContact C-NH1 3.31Å; A335-R339 WeakPolarHBondContact O-CG 3.46Å; A335-R339 PolarHBondContact O-N 2.8Å; A335-R339 VanDerWaalsContact O-N 3.11Å; A335-R339 PolarHBondContact O-NH1 2.86Å; A336-R339 PolarHBondContact O-N 3.11Å; V337-R339 VanDerWaalsContact C-N 3.28Å; V337-R339 PolarHBondContact O-N 3.38Å; R339-N343 WeakPolarHBondContact O-CB 3.42Å; R339-N343 PolarHBondContact O-N 3.14Å; R339-N343 VanDerWaalsContact O-N 3.09Å; R339-N343 PolarHBondContact O-ND2 3.01Å; R339-T443 HydrophobicContact CB-CG2 4.23Å; R339-T443 WeakPolarHBondContact CB-O 3.46Å; R339-T443 WeakPolarHBondContact CD-O 3.26Å; R339-T443 PolarHBondContact NE-O 2.89Å; R339-T443 WeakPolarHBondContact O-CG2 3.46Å; R339-V444 PolarHBondContact NE-O 3.32Å; R339-V444 PolarHBondContact NH2-O 3.23Å
340	L	96.5	Very high	96.1	Very high	5 Å²	5	48.1 Å²	48.1	3%	0.026	26%	0.26	C	S	.	.	H	α-helix	trans	-68.6	-39.1	177.5	-70.5	165.1	0	0	0	112.5	L312 A336 V337 K338 N343 I440 T443 V444	L312-L340 HydrophobicContact CD1-CD1 3.53Å; A336-L340 PolarHBondContact O-N 2.78Å; V337-L340 WeakPolarHBondContact O-CB 3.48Å; V337-L340 PolarHBondContact O-N 3.02Å; K338-L340 PolarHBondContact O-N 2.91Å; L340-N343 CarbonylContact O-C 3.59Å; L340-N343 PolarHBondContact O-N 2.71Å; L340-I440 HydrophobicContact CD1-CG2 4.42Å; L340-I440 HydrophobicContact CD2-CB 4.31Å; L340-I440 HydrophobicContact CD2-CG1 4.15Å; L340-I440 HydrophobicContact CD2-CG2 4.11Å; L340-T443 HydrophobicContact CD2-CG2 3.7Å; L340-T443 HydrophobicContact CG-CG2 4.16Å; L340-V444 HydrophobicContact CD1-CG2 3.83Å; L340-V444 HydrophobicContact CD2-CG2 4.29Å; L340-V444 HydrophobicContact CG-CG2 4.1Å
341	E	95.4	Very high	95.8	Very high	129 Å²	129	51.9 Å²	51.9	60%	0.603	28%	0.276	S	S	*	.	H	α-helix	trans	-70.8	-36.1	176.8	-65.3	-174.6	131.1	0	0	112.5	V337 K338 N343	V337-E341 PolarHBondContact O-N 3.34Å; K338-E341 PolarHBondContact O-N 3.01Å; E341-N343 VanDerWaalsContact C-N 3.34Å
342	E	96.5	Very high	95.5	Very high	117 Å²	117	51 Å²	51	55%	0.547	27%	0.266	S	S	.	.	H	α-helix	trans	-77.3	-15.9	176.6	-71.6	179.2	142.6	0	0	113.9	K338 P344	K338-E342 WeakPolarHBondContact CE-OE1 3.28Å; K338-E342 HydrophobicContact CG-CG 4.41Å; K338-E342 IonicContact NZ-OE1 3.16Å; K338-E342 PolarHBondContact NZ-OE1 2.88Å; K338-E342 IonicContact NZ-OE2 3.4Å; K338-E342 PolarHBondContact NZ-OE2 2.89Å; K338-E342 WeakPolarHBondContact O-CB 3.33Å; K338-E342 WeakPolarHBondContact O-CG 3.41Å; K338-E342 PolarHBondContact O-N 3.44Å; E342-P344 WeakPolarHBondContact O-CD 3.24Å
343	N	96.8	Very high	95.1	Very high	82 Å²	82	51 Å²	51	44%	0.439	27%	0.267	S	S	.	.	S	Bend	trans	-124.2	72.6	179.3	-62.2	-92.6	0	0	0	110.5	R339 L340 E341 F439 T443	R339-N343 WeakPolarHBondContact O-CB 3.42Å; R339-N343 PolarHBondContact O-N 3.14Å; R339-N343 VanDerWaalsContact O-N 3.09Å; R339-N343 PolarHBondContact O-ND2 3.01Å; L340-N343 CarbonylContact O-C 3.59Å; L340-N343 PolarHBondContact O-N 2.71Å; E341-N343 VanDerWaalsContact C-N 3.34Å; N343-F439 VanDerWaalsContact O-CE1 3.31Å; N343-F439 WeakPolarHBondContact O-CE1 3.24Å; N343-F439 VanDerWaalsContact O-CZ 3.26Å; N343-F439 WeakPolarHBondContact O-CZ 3.24Å; N343-T443 HydrophobicContact CB-CG2 3.83Å
344	P	94.7	Very high	94.7	Very high	68 Å²	68	51.1 Å²	51.1	44%	0.442	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-66.6	147.5	176.9	29.3	-36	0	0	0	111.5	E342	E342-P344 WeakPolarHBondContact O-CD 3.24Å
345	L	95.9	Very high	94.4	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.005	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-55.6	152.8	178.4	-78.9	102.7	0	0	0	112.9	R398 T399 T401 L425 V436 F439	L345-R398 WeakPolarHBondContact O-CD 3.39Å; L345-R398 PolarHBondContact O-NH1 3.37Å; L345-T399 HydrophobicContact CD1-CG2 4.07Å; L345-T399 HydrophobicContact CD2-CG2 4.03Å; L345-T399 HydrophobicContact CG-CG2 4.46Å; L345-T401 VanDerWaalsContact CD1-OG1 3.23Å; L345-T401 WeakPolarHBondContact CD1-OG1 3.32Å; L345-L425 HydrophobicContact CD1-CD2 4.36Å; L345-V436 HydrophobicContact CD2-CB 4.41Å; L345-V436 HydrophobicContact CD2-CG1 4.29Å; L345-V436 HydrophobicContact CD2-CG2 3.95Å; L345-F439 HydrophobicContact CD1-CD1 3.86Å; L345-F439 HydrophobicContact CD1-CE1 3.94Å; L345-F439 HydrophobicContact CD2-CB 4.2Å; L345-F439 HydrophobicContact CD2-CD1 3.95Å; L345-F439 HydrophobicContact CD2-CG 3.98Å; L345-F439 HydrophobicContact CG-CD1 3.54Å; L345-F439 HydrophobicContact CG-CD2 4.45Å; L345-F439 HydrophobicContact CG-CE1 3.67Å; L345-F439 HydrophobicContact CG-CG 3.97Å; L345-F439 HydrophobicContact CG-CZ 4.19Å
346	P	94.6	Very high	94	Very high	59 Å²	59	54.8 Å²	54.8	38%	0.383	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-58.8	150.4	-173.1	23	-35.3	0	0	0	113.4	R398	P346-R398 VanDerWaalsContact O-CB 3.25Å; P346-R398 WeakPolarHBondContact O-CB 3.48Å
347	R	94	Very high	93.7	Very high	108 Å²	108	55.4 Å²	55.4	41%	0.408	27%	0.272	S	S	.	.	B	Isolated β-bridge	trans	-71.6	125.8	167.1	-62.1	176.4	-58.5	-125.2	-11.9	109	G384 E388 V397	R347-G384 WeakPolarHBondContact CD-O 3.33Å; R347-E388 IonicContact CZ-OE2 2.65Å; R347-E388 IonicContact NE-OE2 3.06Å; R347-E388 IonicContact NH1-OE1 3.44Å; R347-E388 IonicContact NH1-OE2 2.74Å; R347-E388 PolarHBondContact NH1-OE2 3.16Å; R347-V397 CarbonylContact C-O 3.58Å; R347-V397 WeakPolarHBondContact CA-O 3.41Å
348	L	93.8	Very high	93.4	Very high	30 Å²	30	55.9 Å²	55.9	16%	0.157	27%	0.273	C	S	.	.			trans	-119.5	11.2	-177	-63.6	171.3	0	0	0	112.7	G350 H351 V397 H428 Q431	L348-G350 PolarHBondContact O-N 2.8Å; L348-H351 WeakPolarHBondContact O-CB 3.38Å; L348-H351 PolarHBondContact O-CD2 3.23Å; L348-H351 PolarHBondContact O-N 3.12Å; L348-V397 PolarHBondContact N-O 2.96Å; L348-H428 WeakPolarHBondContact CB-ND1 3.26Å; L348-H428 HydrophobicContact CD1-CB 3.89Å; L348-H428 PolarHBondContact O-CE1 3.11Å; L348-Q431 HydrophobicContact CD1-CB 4.25Å; L348-Q431 HydrophobicContact CD1-CG 3.65Å
349	F	92.8	Very high	93	Very high	14 Å²	14	52.3 Å²	52.3	6%	0.061	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	124.3	174.6	-178.3	-97.9	0	0	0	112.3	E354 F358 L376 S380 L383 L387 V397	F349-E354 HydrophobicContact CD2-CG 3.54Å; F349-E354 HydrophobicContact CE2-CG 3.81Å; F349-F358 AromaticContact CE2-CD2 3.67Å; F349-F358 HydrophobicContact CE2-CD2 3.67Å; F349-F358 AromaticContact CE2-CE2 3.76Å; F349-F358 HydrophobicContact CE2-CE2 3.76Å; F349-F358 AromaticContact CZ-CD2 3.74Å; F349-F358 HydrophobicContact CZ-CD2 3.74Å; F349-F358 HydrophobicContact CZ-CE2 4.17Å; F349-L376 HydrophobicContact CE1-CD1 4.07Å; F349-L376 HydrophobicContact CE1-CD2 4.35Å; F349-L376 HydrophobicContact CZ-CD1 3.8Å; F349-S380 WeakPolarHBondContact CE1-OG 3.1Å; F349-L383 HydrophobicContact CE1-CB 4.14Å; F349-L383 HydrophobicContact CE1-CD2 3.75Å; F349-L383 HydrophobicContact CE1-CG 4.04Å; F349-L383 HydrophobicContact CZ-CD2 3.62Å; F349-L383 HydrophobicContact CZ-CG 4.19Å; F349-L387 HydrophobicContact CD2-CD1 3.9Å; F349-L387 HydrophobicContact CE2-CD1 3.8Å; F349-L387 HydrophobicContact CG-CD1 4.43Å; F349-L387 HydrophobicContact CZ-CD1 4.26Å; F349-V397 HydrophobicContact CB-CB 3.89Å; F349-V397 HydrophobicContact CB-CG1 3.77Å; F349-V397 HydrophobicContact CD2-CG1 3.81Å; F349-V397 HydrophobicContact CG-CG1 4.07Å
350	G	89.4	Confident	92.7	Very high	18 Å²	18	50.3 Å²	50.3	19%	0.186	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	105.3	-8.5	-174.9	0	0	0	0	0	113.9	L348 E354	L348-G350 PolarHBondContact O-N 2.8Å; G350-E354 PolarHBondContact N-OE1 3.26Å
351	H	90.6	Very high	92.5	Very high	145 Å²	145	50 Å²	50	67%	0.671	25%	0.25	S	S	*	.	S	Bend	trans	-107.4	-6.6	179.5	-63	-89.8	0	0	0	113.7	L348 E354 A430	L348-H351 WeakPolarHBondContact O-CB 3.38Å; L348-H351 PolarHBondContact O-CD2 3.23Å; L348-H351 PolarHBondContact O-N 3.12Å; H351-E354 PolarHBondContact N-OE1 3.43Å; H351-A430 HydrophobicContact CB-CB 3.7Å
352	G	89.9	Confident	92.3	Very high	17 Å²	17	43.9 Å²	43.9	18%	0.175	22%	0.222	C	C	.	.	S	Bend	trans	-124.8	-172.5	172.1	0	0	0	0	0	113.2	E354 R355	G352-E354 WeakPolarHBondContact CA-OE2 3.3Å; G352-E354 PolarHBondContact N-OE1 2.9Å; G352-E354 VanDerWaalsContact N-OE1 3.09Å; G352-E354 PolarHBondContact N-OE2 3.33Å; G352-E354 PolarHBondContact O-N 3.48Å; G352-R355 PolarHBondContact O-N 2.91Å
353	P	89.8	Confident	92	Very high	5 Å²	5	40.3 Å²	40.3	3%	0.032	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-11.5	-176.7	28.6	-33.7	0	0	0	113.7	V302 R355 E356 T357 V462 I492	V302-P353 HydrophobicContact CG2-CB 3.63Å; V302-P353 HydrophobicContact CG2-CG 4.08Å; P353-R355 PolarHBondContact O-N 3.35Å; P353-R355 VanDerWaalsContact O-N 3.16Å; P353-E356 PolarHBondContact O-N 2.89Å; P353-T357 PolarHBondContact O-N 3.47Å; P353-T357 PolarHBondContact O-OG1 2.87Å; P353-V462 HydrophobicContact CB-CG1 4.16Å; P353-V462 HydrophobicContact CG-CG1 4.28Å; P353-V462 HydrophobicContact CG-CG2 4.25Å; P353-I492 HydrophobicContact CG-CB 4.28Å
354	E	89.9	Confident	91.7	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.009	19%	0.193	C	C	.	.	H	α-helix	trans	-58.7	-26.1	173	76	-64.9	152	0	0	112.4	F349 G350 H351 G352 T357 F358 H428 I492	F349-E354 HydrophobicContact CD2-CG 3.54Å; F349-E354 HydrophobicContact CE2-CG 3.81Å; G350-E354 PolarHBondContact N-OE1 3.26Å; H351-E354 PolarHBondContact N-OE1 3.43Å; G352-E354 WeakPolarHBondContact CA-OE2 3.3Å; G352-E354 PolarHBondContact N-OE1 2.9Å; G352-E354 VanDerWaalsContact N-OE1 3.09Å; G352-E354 PolarHBondContact N-OE2 3.33Å; G352-E354 PolarHBondContact O-N 3.48Å; E354-T357 WeakPolarHBondContact O-CB 3.44Å; E354-F358 VanDerWaalsContact O-CD2 3.28Å; E354-F358 WeakPolarHBondContact O-CD2 3.46Å; E354-H428 IonicContact OE1-CE1 2.71Å; E354-H428 IonicContact OE2-CE1 3.56Å; E354-H428 IonicContact OE2-NE2 2.68Å; E354-I492 HydrophobicContact CB-CG2 4.3Å
355	R	90.8	Very high	91.6	Very high	75 Å²	75	35.8 Å²	35.8	28%	0.283	17%	0.174	S	C	.	.	H	α-helix	trans	-66.2	-45.3	172.8	-174.1	-176.6	163.3	-166.6	-14.8	112	G352 P353 T357 F358 E359 L376	G352-R355 PolarHBondContact O-N 2.91Å; P353-R355 PolarHBondContact O-N 3.35Å; P353-R355 VanDerWaalsContact O-N 3.16Å; R355-T357 VanDerWaalsContact C-N 3.26Å; R355-T357 PolarHBondContact O-N 2.93Å; R355-F358 PolarHBondContact O-N 2.83Å; R355-E359 IonicContact CZ-OE1 3.84Å; R355-E359 IonicContact NE-OE1 2.63Å; R355-E359 PolarHBondContact NE-OE1 3.3Å; R355-E359 IonicContact NH2-OE1 2.67Å; R355-E359 PolarHBondContact NH2-OE1 2.93Å; R355-E359 IonicContact NH2-OE2 3.46Å; R355-E359 PolarHBondContact O-N 3.48Å; R355-L376 HydrophobicContact CG-CB 4.35Å; R355-L376 HydrophobicContact CG-CD1 4.09Å
356	E	89.9	Confident	91.4	Very high	79 Å²	79	37.9 Å²	37.9	37%	0.369	20%	0.196	S	C	.	.	H	α-helix	trans	-63.7	-35	-179.7	-66	-168	177.6	0	0	111.2	P353 F358 E359 H360 S465 P490	P353-E356 PolarHBondContact O-N 2.89Å; E356-F358 VanDerWaalsContact C-N 3.34Å; E356-F358 PolarHBondContact O-N 3.4Å; E356-E359 PolarHBondContact O-N 3.44Å; E356-H360 WeakPolarHBondContact O-CB 3.48Å; E356-H360 PolarHBondContact O-N 3.39Å; E356-H360 PolarHBondContact O-ND1 3.17Å; E356-S465 PolarHBondContact OE2-OG 2.88Å; E356-P490 HydrophobicContact CB-CG 3.53Å; E356-P490 WeakPolarHBondContact OE2-CG 3.37Å
357	T	92.2	Very high	91.2	Very high	13 Å²	13	41.7 Å²	41.7	8%	0.08	21%	0.213	C	C	.	.	H	α-helix	trans	-50.9	-52.9	172.8	-46.6	0	0	0	0	111.3	L299 P353 E354 R355 L361 P490 G491	L299-T357 HydrophobicContact CD1-CG2 4.16Å; L299-T357 HydrophobicContact CD2-CG2 3.79Å; P353-T357 PolarHBondContact O-N 3.47Å; P353-T357 PolarHBondContact O-OG1 2.87Å; E354-T357 WeakPolarHBondContact O-CB 3.44Å; R355-T357 VanDerWaalsContact C-N 3.26Å; R355-T357 PolarHBondContact O-N 2.93Å; T357-L361 HydrophobicContact CG2-CD1 4.06Å; T357-L361 WeakPolarHBondContact O-CB 3.23Å; T357-L361 WeakPolarHBondContact O-CG 3.22Å; T357-L361 PolarHBondContact O-N 3.22Å; T357-P490 WeakPolarHBondContact CA-O 3.44Å; T357-P490 WeakPolarHBondContact CB-O 3.44Å; T357-P490 PolarHBondContact OG1-O 3.02Å; T357-G491 WeakPolarHBondContact OG1-CA 3.18Å
358	F	91.9	Very high	91.2	Very high	24 Å²	24	41 Å²	41	11%	0.105	22%	0.223	C	C	.	.	H	α-helix	trans	-73.8	-35	-177.7	-72.9	-73.6	0	0	0	113.3	F349 E354 R355 E356 L361 A362 F365 M373 L376 L387	F349-F358 AromaticContact CE2-CD2 3.67Å; F349-F358 HydrophobicContact CE2-CD2 3.67Å; F349-F358 AromaticContact CE2-CE2 3.76Å; F349-F358 HydrophobicContact CE2-CE2 3.76Å; F349-F358 AromaticContact CZ-CD2 3.74Å; F349-F358 HydrophobicContact CZ-CD2 3.74Å; F349-F358 HydrophobicContact CZ-CE2 4.17Å; E354-F358 VanDerWaalsContact O-CD2 3.28Å; E354-F358 WeakPolarHBondContact O-CD2 3.46Å; R355-F358 PolarHBondContact O-N 2.83Å; E356-F358 VanDerWaalsContact C-N 3.34Å; E356-F358 PolarHBondContact O-N 3.4Å; F358-L361 PolarHBondContact O-N 3.06Å; F358-A362 PolarHBondContact O-N 2.82Å; F358-F365 HydrophobicContact CD1-CE2 4.49Å; F358-F365 HydrophobicContact CD1-CZ 4.29Å; F358-F365 HydrophobicContact CE1-CZ 4.49Å; F358-M373 HydrophobicContact CB-SD 3.97Å; F358-M373 HydrophobicContact CD1-CE 3.85Å; F358-M373 HydrophobicContact CD1-SD 3.66Å; F358-M373 HydrophobicContact CE1-CE 4.13Å; F358-M373 HydrophobicContact CE1-SD 4.49Å; F358-M373 HydrophobicContact CG-SD 4.05Å; F358-L376 HydrophobicContact CB-CD1 3.62Å; F358-L387 HydrophobicContact CE2-CD1 4.1Å; F358-L387 HydrophobicContact CZ-CD1 4.27Å; F358-L387 HydrophobicContact CZ-CD2 4.35Å
359	E	90.4	Very high	91.1	Very high	33 Å²	33	42.8 Å²	42.8	15%	0.154	23%	0.232	C	C	.	.	H	α-helix	trans	-66.6	-39.4	175	-66.7	-165.4	-170.5	0	0	111.6	R79 R355 E356 A362 L376	R79-E359 IonicContact CZ-OE2 3.77Å; R79-E359 IonicContact NH2-OE1 2.83Å; R79-E359 IonicContact NH2-OE2 2.7Å; R79-E359 PolarHBondContact NH2-OE2 3.37Å; R355-E359 IonicContact CZ-OE1 3.84Å; R355-E359 IonicContact NE-OE1 2.63Å; R355-E359 PolarHBondContact NE-OE1 3.3Å; R355-E359 IonicContact NH2-OE1 2.67Å; R355-E359 PolarHBondContact NH2-OE1 2.93Å; R355-E359 IonicContact NH2-OE2 3.46Å; R355-E359 PolarHBondContact O-N 3.48Å; E356-E359 PolarHBondContact O-N 3.44Å; E359-A362 VanDerWaalsContact O-CB 3.31Å; E359-A362 WeakPolarHBondContact O-CB 3.36Å; E359-A362 PolarHBondContact O-N 2.95Å; E359-L376 HydrophobicContact CG-CB 4.33Å; E359-L376 HydrophobicContact CG-CD1 4.15Å; E359-L376 HydrophobicContact CG-CG 4.34Å
360	H	90.6	Very high	91.1	Very high	32 Å²	32	44.4 Å²	44.4	15%	0.148	24%	0.239	C	C	.	.	H	α-helix	trans	-65.7	-43.2	174.1	-79.1	74.9	0	0	0	112.4	V85 E356 A362 H363 A489	V85-H360 VanDerWaalsContact CG1-CD2 3.43Å; V85-H360 WeakPolarHBondContact CG1-CD2 3.47Å; E356-H360 WeakPolarHBondContact O-CB 3.48Å; E356-H360 PolarHBondContact O-N 3.39Å; E356-H360 PolarHBondContact O-ND1 3.17Å; H360-A362 VanDerWaalsContact C-N 3.28Å; H360-A362 PolarHBondContact O-N 2.83Å; H360-H363 VanDerWaalsContact C-CE1 3.49Å; H360-H363 PolarHBondContact O-CE1 3.32Å; H360-H363 PolarHBondContact O-ND1 3Å; H360-H363 PolarHBondContact O-NE2 3.19Å; H360-A489 HydrophobicContact CB-CB 3.6Å
361	L	92.1	Very high	91.2	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-77.4	-9.3	179.9	-66.3	179.5	0	0	0	113.8	I290 L293 A297 L299 T357 F358 H363 K364 F365 T487 A489	I290-L361 HydrophobicContact CD1-CD1 3.6Å; L293-L361 HydrophobicContact CD1-CB 3.9Å; L293-L361 HydrophobicContact CD1-CD1 4.25Å; L293-L361 HydrophobicContact CD1-CD2 4.3Å; L293-L361 HydrophobicContact CD1-CG 4.38Å; L293-L361 HydrophobicContact CD2-CD1 4.4Å; L293-L361 HydrophobicContact CD2-CD2 4.47Å; A297-L361 HydrophobicContact CB-CD2 3.49Å; A297-L361 VanDerWaalsContact CB-CD2 3.49Å; L299-L361 HydrophobicContact CD2-CD1 4.36Å; T357-L361 HydrophobicContact CG2-CD1 4.06Å; T357-L361 WeakPolarHBondContact O-CB 3.23Å; T357-L361 WeakPolarHBondContact O-CG 3.22Å; T357-L361 PolarHBondContact O-N 3.22Å; F358-L361 PolarHBondContact O-N 3.06Å; L361-H363 PolarHBondContact O-N 2.66Å; L361-K364 WeakPolarHBondContact O-CB 3.34Å; L361-K364 PolarHBondContact O-N 2.88Å; L361-F365 HydrophobicContact CB-CE2 3.9Å; L361-F365 WeakPolarHBondContact O-CD2 3.19Å; L361-T487 HydrophobicContact CD2-CG2 3.86Å; L361-A489 HydrophobicContact CD2-CB 4.2Å; L361-A489 HydrophobicContact CG-CB 4.18Å
362	A	92.4	Very high	91.4	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-51.1	-36	-171.7	0	0	0	0	0	114.3	F358 E359 H360 K364 F365 K370 M373	F358-A362 PolarHBondContact O-N 2.82Å; E359-A362 VanDerWaalsContact O-CB 3.31Å; E359-A362 WeakPolarHBondContact O-CB 3.36Å; E359-A362 PolarHBondContact O-N 2.95Å; H360-A362 VanDerWaalsContact C-N 3.28Å; H360-A362 PolarHBondContact O-N 2.83Å; A362-K364 VanDerWaalsContact C-N 3.31Å; A362-K364 PolarHBondContact O-N 2.71Å; A362-F365 PolarHBondContact O-N 2.84Å; A362-K370 WeakPolarHBondContact O-CB 3.36Å; A362-K370 VanDerWaalsContact O-CG 3.26Å; A362-K370 WeakPolarHBondContact O-CG 3.36Å; A362-M373 HydrophobicContact CB-CB 3.71Å
363	H	89.7	Confident	91.5	Very high	41 Å²	41	40.1 Å²	40.1	19%	0.19	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-70.9	-21.4	-179.6	66.3	-87.7	0	0	0	114.5	H360 L361 T487	H360-H363 VanDerWaalsContact C-CE1 3.49Å; H360-H363 PolarHBondContact O-CE1 3.32Å; H360-H363 PolarHBondContact O-ND1 3Å; H360-H363 PolarHBondContact O-NE2 3.19Å; L361-H363 PolarHBondContact O-N 2.66Å; H363-T487 WeakPolarHBondContact NE2-CG2 3.42Å; H363-T487 PolarHBondContact NE2-OG1 3.16Å
364	K	90.9	Very high	91.6	Very high	44 Å²	44	39.9 Å²	39.9	19%	0.191	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-87.5	-3	176	-67.3	-72.5	-161	155.4	0	113.3	L293 D294 L361 A362 T485 T487	L293-K364 HydrophobicContact CD1-CB 3.51Å; L293-K364 HydrophobicContact CD1-CG 4.5Å; L293-K364 HydrophobicContact CG-CB 4.12Å; D294-K364 VanDerWaalsContact CB-O 3.25Å; D294-K364 WeakPolarHBondContact CB-O 3.45Å; D294-K364 PolarHBondContact N-O 2.71Å; D294-K364 WeakPolarHBondContact O-CD 3.37Å; L361-K364 WeakPolarHBondContact O-CB 3.34Å; L361-K364 PolarHBondContact O-N 2.88Å; A362-K364 VanDerWaalsContact C-N 3.31Å; A362-K364 PolarHBondContact O-N 2.71Å; K364-T485 PolarHBondContact NZ-O 3.21Å; K364-T487 WeakPolarHBondContact CE-OG1 3.22Å; K364-T487 WeakPolarHBondContact CG-OG1 3.39Å
365	F	91.9	Very high	91.7	Very high	11 Å²	11	39.8 Å²	39.8	5%	0.048	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-87.9	149.3	173.7	-73.4	-87.8	0	0	0	111.5	I290 G292 L293 F358 L361 A362 L369 K370 M373	I290-F365 HydrophobicContact CG2-CZ 4.08Å; G292-F365 WeakPolarHBondContact O-CD1 3.43Å; L293-F365 HydrophobicContact CB-CE1 4.45Å; L293-F365 HydrophobicContact CB-CZ 4.49Å; L293-F365 HydrophobicContact CD1-CD2 4.03Å; L293-F365 HydrophobicContact CD1-CE1 4.44Å; L293-F365 HydrophobicContact CD1-CE2 3.66Å; L293-F365 HydrophobicContact CD1-CZ 3.88Å; F358-F365 HydrophobicContact CD1-CE2 4.49Å; F358-F365 HydrophobicContact CD1-CZ 4.29Å; F358-F365 HydrophobicContact CE1-CZ 4.49Å; L361-F365 HydrophobicContact CB-CE2 3.9Å; L361-F365 WeakPolarHBondContact O-CD2 3.19Å; A362-F365 PolarHBondContact O-N 2.84Å; F365-L369 HydrophobicContact CB-CB 3.93Å; F365-L369 HydrophobicContact CD1-CB 3.95Å; F365-L369 HydrophobicContact CD1-CD1 3.99Å; F365-L369 HydrophobicContact CG-CB 4.21Å; F365-K370 HydrophobicContact CB-CB 4.15Å; F365-K370 WeakPolarHBondContact O-CB 3.41Å; F365-M373 HydrophobicContact CD2-CB 4.34Å; F365-M373 HydrophobicContact CD2-CG 3.84Å; F365-M373 HydrophobicContact CE1-CE 4.34Å; F365-M373 HydrophobicContact CE2-CG 3.93Å; F365-M373 HydrophobicContact CG-CG 4.22Å; F365-M373 HydrophobicContact CZ-CE 4.28Å; F365-M373 HydrophobicContact CZ-CG 4.41Å
366	G	91.8	Very high	91.7	Very high	46 Å²	46	36.3 Å²	36.3	47%	0.474	20%	0.195	S	C	.	.	P	Polyproline II helix	trans	-70.4	162.8	165.2	0	0	0	0	0	112.3	L369 K370	G366-L369 CarbonylContact O-C 3.58Å; G366-L369 WeakPolarHBondContact O-CA 3.41Å; G366-L369 WeakPolarHBondContact O-CB 3.36Å; G366-L369 PolarHBondContact O-N 2.82Å; G366-K370 PolarHBondContact O-N 2.94Å
367	L	91.2	Very high	91.8	Very high	139 Å²	139	37.7 Å²	37.7	73%	0.728	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.5	141.8	164.1	-71.6	174.8	0	0	0	109.8	K370 F371	L367-K370 HydrophobicContact CD2-CB 4.38Å; L367-F371 HydrophobicContact CD2-CB 4.21Å
368	P	92.7	Very high	91.7	Very high	94 Å²	94	40.6 Å²	40.6	61%	0.61	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	cis	-85.1	-9.1	5.2	34.5	-36.7	0	0	0	114.9	K370 F371 I372	P368-K370 VanDerWaalsContact C-N 3.34Å; P368-K370 PolarHBondContact O-N 3.39Å; P368-F371 WeakPolarHBondContact O-CB 3.36Å; P368-F371 PolarHBondContact O-N 3.11Å; P368-I372 PolarHBondContact O-N 3.24Å
369	L	91.9	Very high	91.8	Very high	66 Å²	66	41.6 Å²	41.6	35%	0.346	22%	0.216	S	C	.	.	H	α-helix	trans	-58	-40.6	-173.7	-67.6	176.5	0	0	0	112.9	F365 G366 F371 I372 M373	F365-L369 HydrophobicContact CB-CB 3.93Å; F365-L369 HydrophobicContact CD1-CB 3.95Å; F365-L369 HydrophobicContact CD1-CD1 3.99Å; F365-L369 HydrophobicContact CG-CB 4.21Å; G366-L369 CarbonylContact O-C 3.58Å; G366-L369 WeakPolarHBondContact O-CA 3.41Å; G366-L369 WeakPolarHBondContact O-CB 3.36Å; G366-L369 PolarHBondContact O-N 2.82Å; L369-F371 VanDerWaalsContact C-N 3.27Å; L369-F371 PolarHBondContact O-N 3.41Å; L369-I372 WeakPolarHBondContact O-CB 3.36Å; L369-I372 PolarHBondContact O-N 3.07Å; L369-M373 WeakPolarHBondContact O-CG 3.2Å; L369-M373 PolarHBondContact O-N 2.89Å
370	K	92.5	Very high	91.9	Very high	49 Å²	49	40.6 Å²	40.6	21%	0.213	21%	0.212	C	C	.	.	H	α-helix	trans	-54.3	-40	175	169	162.4	-175.9	174.4	0	113.3	T80 A362 F365 G366 L367 P368 I372 S374	T80-K370 HydrophobicContact CG2-CD 4.5Å; T80-K370 HydrophobicContact CG2-CG 3.82Å; T80-K370 WeakPolarHBondContact O-CE 3.39Å; A362-K370 WeakPolarHBondContact O-CB 3.36Å; A362-K370 VanDerWaalsContact O-CG 3.26Å; A362-K370 WeakPolarHBondContact O-CG 3.36Å; F365-K370 HydrophobicContact CB-CB 4.15Å; F365-K370 WeakPolarHBondContact O-CB 3.41Å; G366-K370 PolarHBondContact O-N 2.94Å; L367-K370 HydrophobicContact CD2-CB 4.38Å; P368-K370 VanDerWaalsContact C-N 3.34Å; P368-K370 PolarHBondContact O-N 3.39Å; K370-I372 VanDerWaalsContact C-N 3.34Å; K370-S374 WeakPolarHBondContact O-CB 3.35Å; K370-S374 PolarHBondContact O-N 3.44Å; K370-S374 PolarHBondContact O-OG 3.27Å
371	F	92.8	Very high	91.9	Very high	41 Å²	41	43.2 Å²	43.2	18%	0.18	23%	0.232	C	C	.	.	H	α-helix	trans	-67.5	-35.4	177.8	-178.8	-92.7	0	0	0	112.2	F73 A76 T80 L367 P368 L369 N375 F379	F73-F371 HydrophobicContact CD2-CE2 4.49Å; F73-F371 AromaticContact CD2-CZ 3.88Å; F73-F371 HydrophobicContact CD2-CZ 3.88Å; F73-F371 HydrophobicContact CE2-CE2 4.21Å; F73-F371 AromaticContact CE2-CZ 3.86Å; F73-F371 HydrophobicContact CE2-CZ 3.86Å; A76-F371 HydrophobicContact CB-CE2 3.81Å; A76-F371 HydrophobicContact CB-CZ 3.62Å; T80-F371 HydrophobicContact CG2-CB 4.18Å; T80-F371 HydrophobicContact CG2-CD2 4.25Å; T80-F371 VanDerWaalsContact OG1-CD2 3.29Å; T80-F371 WeakPolarHBondContact OG1-CD2 3.36Å; L367-F371 HydrophobicContact CD2-CB 4.21Å; P368-F371 WeakPolarHBondContact O-CB 3.36Å; P368-F371 PolarHBondContact O-N 3.11Å; L369-F371 VanDerWaalsContact C-N 3.27Å; L369-F371 PolarHBondContact O-N 3.41Å; F371-N375 WeakPolarHBondContact O-CB 3.09Å; F371-N375 PolarHBondContact O-N 3.48Å; F371-N375 PolarHBondContact O-ND2 2.68Å; F371-F379 AromaticContact CD1-CE2 3.98Å; F371-F379 HydrophobicContact CD1-CE2 3.98Å; F371-F379 HydrophobicContact CD1-CZ 4.33Å; F371-F379 AromaticContact CE1-CE2 3.68Å; F371-F379 HydrophobicContact CE1-CE2 3.68Å; F371-F379 AromaticContact CE1-CZ 3.82Å; F371-F379 HydrophobicContact CE1-CZ 3.82Å
372	I	93.2	Very high	91.9	Very high	41 Å²	41	47.6 Å²	47.6	21%	0.21	26%	0.255	C	S	.	.	H	α-helix	trans	-69.4	-53.7	176	-65.6	171.5	0	0	0	110.2	P368 L369 K370 S374 N375 L376 F379	P368-I372 PolarHBondContact O-N 3.24Å; L369-I372 WeakPolarHBondContact O-CB 3.36Å; L369-I372 PolarHBondContact O-N 3.07Å; K370-I372 VanDerWaalsContact C-N 3.34Å; I372-S374 VanDerWaalsContact C-N 3.32Å; I372-S374 PolarHBondContact O-N 3.05Å; I372-N375 CarbonylContact O-C 3.57Å; I372-N375 PolarHBondContact O-N 2.82Å; I372-L376 PolarHBondContact O-N 3.09Å; I372-F379 HydrophobicContact CG2-CB 3.9Å; I372-F379 HydrophobicContact CG2-CG 4.3Å
373	M	93	Very high	91.8	Very high	8 Å²	8	48.3 Å²	48.3	4%	0.039	26%	0.259	C	S	.	.	H	α-helix	trans	-65.8	-33.6	-178.2	-58.9	-50.2	179.4	0	0	112.4	F358 A362 F365 L369 N375 L376 L383	F358-M373 HydrophobicContact CB-SD 3.97Å; F358-M373 HydrophobicContact CD1-CE 3.85Å; F358-M373 HydrophobicContact CD1-SD 3.66Å; F358-M373 HydrophobicContact CE1-CE 4.13Å; F358-M373 HydrophobicContact CE1-SD 4.49Å; F358-M373 HydrophobicContact CG-SD 4.05Å; A362-M373 HydrophobicContact CB-CB 3.71Å; F365-M373 HydrophobicContact CD2-CB 4.34Å; F365-M373 HydrophobicContact CD2-CG 3.84Å; F365-M373 HydrophobicContact CE1-CE 4.34Å; F365-M373 HydrophobicContact CE2-CG 3.93Å; F365-M373 HydrophobicContact CG-CG 4.22Å; F365-M373 HydrophobicContact CZ-CE 4.28Å; F365-M373 HydrophobicContact CZ-CG 4.41Å; L369-M373 WeakPolarHBondContact O-CG 3.2Å; L369-M373 PolarHBondContact O-N 2.89Å; M373-N375 PolarHBondContact O-N 3.36Å; M373-L376 HydrophobicContact SD-CD2 4.35Å; M373-L383 HydrophobicContact CE-CD1 4.04Å; M373-L383 HydrophobicContact CE-CD2 3.88Å; M373-L383 HydrophobicContact SD-CD2 3.53Å; M373-L383 VanDerWaalsContact SD-CD2 3.53Å
374	S	91.2	Very high	91.9	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-21.8	172.1	-63.8	0	0	0	0	112.6	R79 K370 I372	R79-S374 PolarHBondContact NE-O 2.9Å; R79-S374 PolarHBondContact NH2-O 2.83Å; R79-S374 VanDerWaalsContact NH2-O 3.09Å; K370-S374 WeakPolarHBondContact O-CB 3.35Å; K370-S374 PolarHBondContact O-N 3.44Å; K370-S374 PolarHBondContact O-OG 3.27Å; I372-S374 VanDerWaalsContact C-N 3.32Å; I372-S374 PolarHBondContact O-N 3.05Å
375	N	92.5	Very high	91.9	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.9	43.1	-168.9	-66	-71.5	0	0	0	113.5	A76 T80 F371 I372 M373 W377 L378 F379	A76-N375 WeakPolarHBondContact CA-OD1 3.37Å; A76-N375 HydrophobicContact CB-CB 4.43Å; A76-N375 PolarHBondContact O-ND2 3.02Å; T80-N375 PolarHBondContact OG1-ND2 3.01Å; F371-N375 WeakPolarHBondContact O-CB 3.09Å; F371-N375 PolarHBondContact O-N 3.48Å; F371-N375 PolarHBondContact O-ND2 2.68Å; I372-N375 CarbonylContact O-C 3.57Å; I372-N375 PolarHBondContact O-N 2.82Å; M373-N375 PolarHBondContact O-N 3.36Å; N375-W377 PolarHBondContact O-N 3.5Å; N375-W377 PolarHBondContact OD1-NE1 3.14Å; N375-L378 PolarHBondContact O-N 3.15Å; N375-F379 HydrophobicContact CB-CD2 3.83Å; N375-F379 HydrophobicContact CB-CE2 4.01Å; N375-F379 WeakPolarHBondContact O-CD2 3.38Å; N375-F379 PolarHBondContact O-N 2.84Å
376	L	92	Very high	91.9	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.005	30%	0.295	C	S	.	.	H	α-helix	trans	-61.7	-22.5	178.1	-67.5	-171.2	0	0	0	114.3	F349 R355 F358 E359 I372 M373 L378 F379 S380 L383	F349-L376 HydrophobicContact CE1-CD1 4.07Å; F349-L376 HydrophobicContact CE1-CD2 4.35Å; F349-L376 HydrophobicContact CZ-CD1 3.8Å; R355-L376 HydrophobicContact CG-CB 4.35Å; R355-L376 HydrophobicContact CG-CD1 4.09Å; F358-L376 HydrophobicContact CB-CD1 3.62Å; E359-L376 HydrophobicContact CG-CB 4.33Å; E359-L376 HydrophobicContact CG-CD1 4.15Å; E359-L376 HydrophobicContact CG-CG 4.34Å; I372-L376 PolarHBondContact O-N 3.09Å; M373-L376 HydrophobicContact SD-CD2 4.35Å; L376-L378 PolarHBondContact O-N 3.42Å; L376-L378 VanDerWaalsContact O-N 3.08Å; L376-F379 PolarHBondContact O-N 2.98Å; L376-S380 VanDerWaalsContact O-CB 3.26Å; L376-S380 WeakPolarHBondContact O-CB 3.43Å; L376-S380 PolarHBondContact O-N 3.26Å; L376-S380 PolarHBondContact O-OG 2.97Å; L376-S380 VanDerWaalsContact O-OG 3.12Å; L376-L383 HydrophobicContact CD1-CD2 4.42Å; L376-L383 HydrophobicContact CD2-CB 4.46Å; L376-L383 HydrophobicContact CD2-CD2 3.58Å
377	W	90.4	Very high	91.9	Very high	109 Å²	109	54.2 Å²	54.2	41%	0.413	28%	0.277	S	S	.	.	H	α-helix	trans	-53	-26.4	166.6	68.2	-92.2	0	0	0	113.8	L72 A76 N375	L72-W377 HydrophobicContact CD2-CH2 3.7Å; L72-W377 HydrophobicContact CD2-CZ3 3.96Å; A76-W377 HydrophobicContact CB-CZ2 4.38Å; N375-W377 PolarHBondContact O-N 3.5Å; N375-W377 PolarHBondContact OD1-NE1 3.14Å
378	L	91.2	Very high	91.9	Very high	74 Å²	74	50.7 Å²	50.7	39%	0.387	26%	0.256	S	S	.	.	H	α-helix	trans	-105.1	-37	174.1	-176.3	60.1	0	0	0	112.2	N375 L376	N375-L378 PolarHBondContact O-N 3.15Å; L376-L378 PolarHBondContact O-N 3.42Å; L376-L378 VanDerWaalsContact O-N 3.08Å
379	F	93.4	Very high	91.7	Very high	44 Å²	44	49.2 Å²	49.2	19%	0.193	26%	0.258	C	S	.	.	H	α-helix	trans	-102.8	-6.6	-168.5	-64.2	-66	0	0	0	116.6	F371 I372 N375 L376 P381 L382 L383	F371-F379 AromaticContact CD1-CE2 3.98Å; F371-F379 HydrophobicContact CD1-CE2 3.98Å; F371-F379 HydrophobicContact CD1-CZ 4.33Å; F371-F379 AromaticContact CE1-CE2 3.68Å; F371-F379 HydrophobicContact CE1-CE2 3.68Å; F371-F379 AromaticContact CE1-CZ 3.82Å; F371-F379 HydrophobicContact CE1-CZ 3.82Å; I372-F379 HydrophobicContact CG2-CB 3.9Å; I372-F379 HydrophobicContact CG2-CG 4.3Å; N375-F379 HydrophobicContact CB-CD2 3.83Å; N375-F379 HydrophobicContact CB-CE2 4.01Å; N375-F379 WeakPolarHBondContact O-CD2 3.38Å; N375-F379 PolarHBondContact O-N 2.84Å; L376-F379 PolarHBondContact O-N 2.98Å; F379-P381 VanDerWaalsContact C-CD 3.48Å; F379-P381 VanDerWaalsContact C-N 3.34Å; F379-L382 HydrophobicContact CD1-CD2 4.29Å; F379-L382 WeakPolarHBondContact O-CA 3.32Å; F379-L382 WeakPolarHBondContact O-CB 3.34Å; F379-L382 PolarHBondContact O-N 3.39Å; F379-L383 PolarHBondContact O-N 2.86Å
380	S	91.6	Very high	91.5	Very high	12 Å²	12	51.3 Å²	51.3	8%	0.084	26%	0.264	C	S	.	.	H	α-helix	trans	-50.6	-44.1	176.5	-83.6	0	0	0	0	114.2	F349 L376 L382 L383 G384	F349-S380 WeakPolarHBondContact CE1-OG 3.1Å; L376-S380 VanDerWaalsContact O-CB 3.26Å; L376-S380 WeakPolarHBondContact O-CB 3.43Å; L376-S380 PolarHBondContact O-N 3.26Å; L376-S380 PolarHBondContact O-OG 2.97Å; L376-S380 VanDerWaalsContact O-OG 3.12Å; S380-L382 PolarHBondContact O-N 2.71Å; S380-L382 VanDerWaalsContact O-N 3.17Å; S380-L383 PolarHBondContact O-N 2.92Å; S380-G384 PolarHBondContact O-N 3.04Å
381	P	91.6	Very high	91.2	Very high	87 Å²	87	54.5 Å²	54.5	57%	0.565	29%	0.29	S	S	*	.	H	α-helix	trans	-66.1	-17	178.5	-22.5	34.9	0	0	0	114.9	F379 R385	F379-P381 VanDerWaalsContact C-CD 3.48Å; F379-P381 VanDerWaalsContact C-N 3.34Å; P381-R385 WeakPolarHBondContact O-CG 3.35Å; P381-R385 PolarHBondContact O-NE 2.86Å
382	L	91.4	Very high	90.7	Very high	92 Å²	92	57.2 Å²	57.2	48%	0.482	31%	0.306	S	S	.	.	H	α-helix	trans	-89.5	-51.8	173.4	175.6	62.2	0	0	0	110.3	F379 S380 G384 R385 V386	F379-L382 HydrophobicContact CD1-CD2 4.29Å; F379-L382 WeakPolarHBondContact O-CA 3.32Å; F379-L382 WeakPolarHBondContact O-CB 3.34Å; F379-L382 PolarHBondContact O-N 3.39Å; S380-L382 PolarHBondContact O-N 2.71Å; S380-L382 VanDerWaalsContact O-N 3.17Å; L382-G384 VanDerWaalsContact C-N 3.3Å; L382-G384 PolarHBondContact O-N 3.24Å; L382-R385 WeakPolarHBondContact O-CB 3.32Å; L382-R385 PolarHBondContact O-N 3.01Å; L382-V386 PolarHBondContact O-N 2.88Å
383	L	91.1	Very high	90.5	Very high	16 Å²	16	56.6 Å²	56.6	8%	0.084	31%	0.305	C	S	.	.	H	α-helix	trans	-59.3	-40.8	-179.4	179.7	57.5	0	0	0	111.7	F349 M373 L376 F379 S380 R385 V386 L387	F349-L383 HydrophobicContact CE1-CB 4.14Å; F349-L383 HydrophobicContact CE1-CD2 3.75Å; F349-L383 HydrophobicContact CE1-CG 4.04Å; F349-L383 HydrophobicContact CZ-CD2 3.62Å; F349-L383 HydrophobicContact CZ-CG 4.19Å; M373-L383 HydrophobicContact CE-CD1 4.04Å; M373-L383 HydrophobicContact CE-CD2 3.88Å; M373-L383 HydrophobicContact SD-CD2 3.53Å; M373-L383 VanDerWaalsContact SD-CD2 3.53Å; L376-L383 HydrophobicContact CD1-CD2 4.42Å; L376-L383 HydrophobicContact CD2-CB 4.46Å; L376-L383 HydrophobicContact CD2-CD2 3.58Å; F379-L383 PolarHBondContact O-N 2.86Å; S380-L383 PolarHBondContact O-N 2.92Å; L383-R385 PolarHBondContact O-N 3.34Å; L383-R385 VanDerWaalsContact O-N 3.16Å; L383-V386 WeakPolarHBondContact O-CB 3.46Å; L383-V386 PolarHBondContact O-N 3.39Å; L383-L387 HydrophobicContact CD1-CD1 4.19Å; L383-L387 HydrophobicContact CD1-CD2 4.34Å; L383-L387 HydrophobicContact CD1-CG 3.96Å; L383-L387 HydrophobicContact CD2-CD1 4.4Å; L383-L387 HydrophobicContact CG-CD1 3.84Å; L383-L387 HydrophobicContact CG-CG 4.1Å; L383-L387 WeakPolarHBondContact O-CG 3.36Å; L383-L387 PolarHBondContact O-N 3.06Å
384	G	91.5	Very high	90.3	Very high	3 Å²	3	57.9 Å²	57.9	3%	0.031	31%	0.312	C	S	.	.	H	α-helix	trans	-57.9	-27.9	175.4	0	0	0	0	0	114.4	R347 S380 L382 E388	R347-G384 WeakPolarHBondContact CD-O 3.33Å; S380-G384 PolarHBondContact O-N 3.04Å; L382-G384 VanDerWaalsContact C-N 3.3Å; L382-G384 PolarHBondContact O-N 3.24Å; G384-E388 WeakPolarHBondContact O-CB 3.19Å; G384-E388 PolarHBondContact O-N 3.38Å; G384-E388 VanDerWaalsContact O-N 3.16Å
385	R	92	Very high	90.2	Very high	150 Å²	150	58.7 Å²	58.7	57%	0.566	32%	0.318	S	S	*	.	H	α-helix	trans	-77.8	-30.6	174	-47.9	-170.7	-171.4	163	-0.7	112.6	P381 L382 L383	P381-R385 WeakPolarHBondContact O-CG 3.35Å; P381-R385 PolarHBondContact O-NE 2.86Å; L382-R385 WeakPolarHBondContact O-CB 3.32Å; L382-R385 PolarHBondContact O-N 3.01Å; L383-R385 PolarHBondContact O-N 3.34Å; L383-R385 VanDerWaalsContact O-N 3.16Å
386	V	91.3	Very high	90	Very high	98 Å²	98	60.9 Å²	60.9	59%	0.594	33%	0.329	S	S	*	.	H	α-helix	trans	-73.4	-43.5	176	-179.1	0	0	0	0	109.7	L382 L383 E388 G389	L382-V386 PolarHBondContact O-N 2.88Å; L383-V386 WeakPolarHBondContact O-CB 3.46Å; L383-V386 PolarHBondContact O-N 3.39Å; V386-E388 VanDerWaalsContact C-N 3.34Å; V386-E388 PolarHBondContact O-N 3.19Å; V386-G389 PolarHBondContact O-N 3.48Å; V386-G389 VanDerWaalsContact O-N 3.09Å
387	L	90.4	Very high	90	Very high	15 Å²	15	60.8 Å²	60.8	8%	0.079	33%	0.329	C	S	.	.	H	α-helix	trans	-67.4	-30.3	177.7	-65.1	176.2	0	0	0	112.9	F349 F358 L383 G389 T393 N394 V397	F349-L387 HydrophobicContact CD2-CD1 3.9Å; F349-L387 HydrophobicContact CE2-CD1 3.8Å; F349-L387 HydrophobicContact CG-CD1 4.43Å; F349-L387 HydrophobicContact CZ-CD1 4.26Å; F358-L387 HydrophobicContact CE2-CD1 4.1Å; F358-L387 HydrophobicContact CZ-CD1 4.27Å; F358-L387 HydrophobicContact CZ-CD2 4.35Å; L383-L387 HydrophobicContact CD1-CD1 4.19Å; L383-L387 HydrophobicContact CD1-CD2 4.34Å; L383-L387 HydrophobicContact CD1-CG 3.96Å; L383-L387 HydrophobicContact CD2-CD1 4.4Å; L383-L387 HydrophobicContact CG-CD1 3.84Å; L383-L387 HydrophobicContact CG-CG 4.1Å; L383-L387 WeakPolarHBondContact O-CG 3.36Å; L383-L387 PolarHBondContact O-N 3.06Å; L387-G389 PolarHBondContact O-N 2.83Å; L387-T393 HydrophobicContact CD2-CG2 3.8Å; L387-T393 CarbonylContact O-C 3.53Å; L387-T393 WeakPolarHBondContact O-CB 3.45Å; L387-T393 PolarHBondContact O-OG1 3.28Å; L387-N394 PolarHBondContact O-N 3.16Å; L387-V397 HydrophobicContact CB-CG1 3.6Å; L387-V397 HydrophobicContact CD1-CG1 3.69Å; L387-V397 HydrophobicContact CG-CG1 4.3Å
388	E	91.7	Very high	90.2	Very high	65 Å²	65	56.1 Å²	56.1	30%	0.304	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-26.3	169.4	165.1	175.2	-123.2	0	0	113.4	R347 G384 V386 K390 R398	R347-E388 IonicContact CZ-OE2 2.65Å; R347-E388 IonicContact NE-OE2 3.06Å; R347-E388 IonicContact NH1-OE1 3.44Å; R347-E388 IonicContact NH1-OE2 2.74Å; R347-E388 PolarHBondContact NH1-OE2 3.16Å; G384-E388 WeakPolarHBondContact O-CB 3.19Å; G384-E388 PolarHBondContact O-N 3.38Å; G384-E388 VanDerWaalsContact O-N 3.16Å; V386-E388 VanDerWaalsContact C-N 3.34Å; V386-E388 PolarHBondContact O-N 3.19Å; E388-K390 PolarHBondContact O-N 3.21Å; E388-K390 VanDerWaalsContact O-N 3.08Å; E388-R398 VanDerWaalsContact CG-NH2 3.26Å; E388-R398 IonicContact OE1-CZ 2.76Å; E388-R398 IonicContact OE1-NH1 2.71Å; E388-R398 IonicContact OE1-NH2 3.56Å; E388-R398 PolarHBondContact OE1-NH2 2.87Å
389	G	88.6	Confident	90.4	Very high	62 Å²	62	52.6 Å²	52.6	64%	0.639	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-1.7	-171.8	0	0	0	0	0	116.6	V386 L387	V386-G389 PolarHBondContact O-N 3.48Å; V386-G389 VanDerWaalsContact O-N 3.09Å; L387-G389 PolarHBondContact O-N 2.83Å
390	K	87.9	Confident	90.5	Very high	110 Å²	110	52.1 Å²	52.1	48%	0.478	29%	0.294	S	S	.	.	S	Bend	trans	-142.2	147.3	173.7	-53.9	177.9	177.9	178.5	0	110.9	E388 D392 T393 N394	E388-K390 PolarHBondContact O-N 3.21Å; E388-K390 VanDerWaalsContact O-N 3.08Å; K390-D392 WeakPolarHBondContact CB-OD1 3.31Å; K390-D392 PolarHBondContact O-N 3.32Å; K390-T393 PolarHBondContact O-N 2.83Å; K390-T393 PolarHBondContact O-OG1 3.18Å; K390-N394 WeakPolarHBondContact O-CB 3.43Å; K390-N394 PolarHBondContact O-N 3.33Å
391	P	86.8	Confident	90.6	Very high	116 Å²	116	53.7 Å²	53.7	75%	0.753	30%	0.303	S	S	*	.	H	α-helix	trans	-60	-39.3	-175	-25.1	35.1	0	0	0	114.9	N394 A395	P391-N394 PolarHBondContact O-N 2.87Å; P391-A395 PolarHBondContact O-N 2.96Å
392	D	82.1	Confident	90.8	Very high	99 Å²	99	51.8 Å²	51.8	53%	0.529	30%	0.295	S	S	.	.	H	α-helix	trans	-63.2	-53.3	179.2	57.7	-35.8	0	0	0	111.7	K390 N394 A395	K390-D392 WeakPolarHBondContact CB-OD1 3.31Å; K390-D392 PolarHBondContact O-N 3.32Å; D392-N394 VanDerWaalsContact C-N 3.31Å; D392-N394 PolarHBondContact O-N 3.34Å; D392-A395 PolarHBondContact O-N 3.27Å
393	T	88	Confident	91	Very high	28 Å²	28	49.4 Å²	49.4	17%	0.172	28%	0.284	C	S	.	.	H	α-helix	trans	-73.7	-23.9	176.9	50.8	0	0	0	0	112.6	L387 K390 A395 L396	L387-T393 HydrophobicContact CD2-CG2 3.8Å; L387-T393 CarbonylContact O-C 3.53Å; L387-T393 WeakPolarHBondContact O-CB 3.45Å; L387-T393 PolarHBondContact O-OG1 3.28Å; K390-T393 PolarHBondContact O-N 2.83Å; K390-T393 PolarHBondContact O-OG1 3.18Å; T393-A395 VanDerWaalsContact C-N 3.31Å; T393-L396 PolarHBondContact O-N 3.03Å
394	N	90.5	Very high	91.1	Very high	35 Å²	35	52.7 Å²	52.7	19%	0.187	30%	0.304	C	S	.	.	H	α-helix	trans	-69.6	-31.5	174.9	-168.2	41.9	0	0	0	111.6	L387 K390 P391 D392 L396 V397 R398	L387-N394 PolarHBondContact O-N 3.16Å; K390-N394 WeakPolarHBondContact O-CB 3.43Å; K390-N394 PolarHBondContact O-N 3.33Å; P391-N394 PolarHBondContact O-N 2.87Å; D392-N394 VanDerWaalsContact C-N 3.31Å; D392-N394 PolarHBondContact O-N 3.34Å; N394-L396 PolarHBondContact O-N 3.09Å; N394-V397 WeakPolarHBondContact O-CG2 3.13Å; N394-V397 PolarHBondContact O-N 3.19Å; N394-R398 VanDerWaalsContact OD1-CZ 3.25Å; N394-R398 PolarHBondContact OD1-NE 3Å; N394-R398 PolarHBondContact OD1-NH2 2.91Å
395	A	88.3	Confident	91.2	Very high	16 Å²	16	57.3 Å²	57.3	13%	0.132	33%	0.326	C	S	.	.	H	α-helix	trans	-65.4	-24	174.8	0	0	0	0	0	113.6	K305 P391 D392 T393 T400 I494	K305-A395 PolarHBondContact NZ-O 3.34Å; P391-A395 PolarHBondContact O-N 2.96Å; D392-A395 PolarHBondContact O-N 3.27Å; T393-A395 VanDerWaalsContact C-N 3.31Å; A395-T400 HydrophobicContact CB-CG2 4.15Å; A395-I494 HydrophobicContact CB-CD1 4.27Å; A395-I494 HydrophobicContact CB-CG2 4.39Å
396	L	88.1	Confident	91.5	Very high	46 Å²	46	54 Å²	54	24%	0.241	32%	0.317	C	S	.	.	H	α-helix	trans	-78.3	-25.5	174.5	-69.2	170.2	0	0	0	113.6	T393 N394 H428 I492 I494	T393-L396 PolarHBondContact O-N 3.03Å; N394-L396 PolarHBondContact O-N 3.09Å; L396-H428 PolarHBondContact O-NE2 2.77Å; L396-I492 HydrophobicContact CD2-CG2 3.88Å; L396-I494 HydrophobicContact CD2-CD1 3.77Å; L396-I494 HydrophobicContact CD2-CG1 4.03Å; L396-I494 HydrophobicContact CG-CD1 4.13Å
397	V	91.9	Very high	91.7	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-106.1	-0.2	-167.1	-56.1	0	0	0	0	115.8	R347 L348 F349 L387 N394	R347-V397 CarbonylContact C-O 3.58Å; R347-V397 WeakPolarHBondContact CA-O 3.41Å; L348-V397 PolarHBondContact N-O 2.96Å; F349-V397 HydrophobicContact CB-CB 3.89Å; F349-V397 HydrophobicContact CB-CG1 3.77Å; F349-V397 HydrophobicContact CD2-CG1 3.81Å; F349-V397 HydrophobicContact CG-CG1 4.07Å; L387-V397 HydrophobicContact CB-CG1 3.6Å; L387-V397 HydrophobicContact CD1-CG1 3.69Å; L387-V397 HydrophobicContact CG-CG1 4.3Å; N394-V397 WeakPolarHBondContact O-CG2 3.13Å; N394-V397 PolarHBondContact O-N 3.19Å
398	R	93.9	Very high	92	Very high	10 Å²	10	54.4 Å²	54.4	4%	0.038	32%	0.321	C	S	.	.	B	Isolated β-bridge	trans	-156.7	175	179	71.8	175.3	81.8	-143.7	6.6	113.6	K305 L345 P346 E388 N394 T400 H428	K305-R398 PolarHBondContact NZ-O 2.92Å; L345-R398 WeakPolarHBondContact O-CD 3.39Å; L345-R398 PolarHBondContact O-NH1 3.37Å; P346-R398 VanDerWaalsContact O-CB 3.25Å; P346-R398 WeakPolarHBondContact O-CB 3.48Å; E388-R398 VanDerWaalsContact CG-NH2 3.26Å; E388-R398 IonicContact OE1-CZ 2.76Å; E388-R398 IonicContact OE1-NH1 2.71Å; E388-R398 IonicContact OE1-NH2 3.56Å; E388-R398 PolarHBondContact OE1-NH2 2.87Å; N394-R398 VanDerWaalsContact OD1-CZ 3.25Å; N394-R398 PolarHBondContact OD1-NE 3Å; N394-R398 PolarHBondContact OD1-NH2 2.91Å; R398-T400 HydrophobicContact CG-CG2 4.27Å; R398-T400 PolarHBondContact O-N 3.38Å; R398-H428 PolarHBondContact N-CD2 3.06Å
399	T	96.1	Very high	92	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	33%	0.327	C	S	.	.			trans	-70.7	117.8	156.7	-64.3	0	0	0	0	109.5	L345 L425 R426 I427 H428 Q431 V436	L345-T399 HydrophobicContact CD1-CG2 4.07Å; L345-T399 HydrophobicContact CD2-CG2 4.03Å; L345-T399 HydrophobicContact CG-CG2 4.46Å; T399-L425 HydrophobicContact CG2-CD2 4.26Å; T399-R426 VanDerWaalsContact CA-O 3.28Å; T399-R426 WeakPolarHBondContact CA-O 3.47Å; T399-I427 HydrophobicContact CG2-CG1 4.37Å; T399-I427 WeakPolarHBondContact OG1-CA 3.4Å; T399-H428 PolarHBondContact OG1-N 3.24Å; T399-Q431 PolarHBondContact OG1-OE1 2.74Å; T399-V436 HydrophobicContact CG2-CG1 4.09Å; T399-V436 HydrophobicContact CG2-CG2 3.91Å
400	T	95	Very high	92.1	Very high	35 Å²	35	57.3 Å²	57.3	22%	0.215	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	143	178.1	46.5	0	0	0	0	110.6	A395 R398 L425 R426	A395-T400 HydrophobicContact CB-CG2 4.15Å; R398-T400 HydrophobicContact CG-CG2 4.27Å; R398-T400 PolarHBondContact O-N 3.38Å; T400-L425 VanDerWaalsContact O-CA 3.28Å; T400-L425 WeakPolarHBondContact O-CA 3.31Å; T400-R426 PolarHBondContact N-O 3.34Å; T400-R426 PolarHBondContact O-N 3.03Å; T400-R426 VanDerWaalsContact O-N 3.16Å
401	T	95.2	Very high	92.1	Very high	44 Å²	44	58.2 Å²	58.2	27%	0.27	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	131	176.9	-54.6	0	0	0	0	108.5	L345 V423 L425	L345-T401 VanDerWaalsContact CD1-OG1 3.23Å; L345-T401 WeakPolarHBondContact CD1-OG1 3.32Å; T401-V423 HydrophobicContact CG2-CG1 3.46Å; T401-V423 VanDerWaalsContact CG2-CG1 3.46Å; T401-L425 HydrophobicContact CG2-CD2 4.09Å; T401-L425 WeakPolarHBondContact OG1-CD2 3.25Å
402	A	95.1	Very high	92.2	Very high	48 Å²	48	59.8 Å²	59.8	40%	0.397	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	126.1	175.5	0	0	0	0	0	110.2	T404 V423 N424	A402-T404 PolarHBondContact O-N 2.86Å; A402-V423 CarbonylContact O-C 3.55Å; A402-V423 WeakPolarHBondContact O-CA 3.46Å; A402-N424 PolarHBondContact N-O 3.25Å; A402-N424 PolarHBondContact O-N 2.86Å
403	V	96	Very high	92.6	Very high	41 Å²	41	57.8 Å²	57.8	25%	0.248	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	112.2	172.6	-174.3	0	0	0	0	108.2	V337 A421 Y422 V423	V337-V403 HydrophobicContact CG1-CG2 4.04Å; V403-A421 HydrophobicContact CG1-CB 4.4Å; V403-Y422 WeakPolarHBondContact CA-O 3.4Å; V403-V423 HydrophobicContact CG2-CG2 4.34Å
404	T	92.1	Very high	92.6	Very high	85 Å²	85	60.2 Å²	60.2	52%	0.521	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	-25.9	-170.2	54.1	0	0	0	0	113.2	A402 Y422 N424	A402-T404 PolarHBondContact O-N 2.86Å; T404-Y422 PolarHBondContact N-O 3.46Å; T404-Y422 PolarHBondContact OG1-O 3.29Å; T404-N424 HydrophobicContact CG2-CB 3.85Å
405	M	94.3	Very high	92.7	Very high	100 Å²	100	59.8 Å²	59.8	49%	0.493	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	143.4	178.1	-57.7	174.8	68	0	0	110.4	A421 Y422	M405-A421 CarbonylContact O-C 3.57Å; M405-A421 VanDerWaalsContact O-CA 3.25Å; M405-A421 WeakPolarHBondContact O-CA 3.49Å; M405-Y422 HydrophobicContact CB-CD2 3.99Å; M405-Y422 HydrophobicContact CB-CG 4.41Å; M405-Y422 PolarHBondContact O-N 3.01Å
406	F	97.4	Very high	93	Very high	82 Å²	82	60 Å²	60	36%	0.36	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	115.7	171.7	-166	-69.6	0	0	0	109	L333 A334 V337 A408 E420 A421	L333-F406 HydrophobicContact CB-CE2 4.48Å; L333-F406 HydrophobicContact CB-CZ 4.2Å; L333-F406 HydrophobicContact CD2-CE1 4.41Å; L333-F406 HydrophobicContact CD2-CE2 3.89Å; L333-F406 HydrophobicContact CD2-CZ 3.8Å; L333-F406 HydrophobicContact CG-CE2 3.82Å; L333-F406 HydrophobicContact CG-CZ 3.92Å; A334-F406 HydrophobicContact CB-CZ 4.31Å; V337-F406 HydrophobicContact CG2-CD2 4.2Å; V337-F406 HydrophobicContact CG2-CE2 4.02Å; F406-A408 HydrophobicContact CE1-CB 4.4Å; F406-E420 CarbonylContact C-O 3.6Å; F406-E420 WeakPolarHBondContact CA-O 3.36Å; F406-A421 HydrophobicContact CD2-CB 3.71Å; F406-A421 HydrophobicContact CE2-CB 4.2Å; F406-A421 HydrophobicContact CG-CB 4.36Å
407	N	96.8	Very high	93.3	Very high	79 Å²	79	60.4 Å²	60.4	42%	0.422	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	117.2	-170.5	-67.3	-31.9	0	0	0	110.6	A419 E420	N407-A419 WeakPolarHBondContact O-CA 3.36Å; N407-E420 PolarHBondContact N-O 3.04Å; N407-E420 PolarHBondContact O-N 3.11Å
408	A	95.6	Very high	93.5	Very high	41 Å²	41	63.9 Å²	63.9	34%	0.339	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160	143.2	171.2	0	0	0	0	0	112.3	I330 F406 P416 A419	I330-A408 HydrophobicContact CD1-CB 3.85Å; I330-A408 HydrophobicContact CG1-CB 3.54Å; F406-A408 HydrophobicContact CE1-CB 4.4Å; A408-P416 HydrophobicContact CB-CG 4.39Å; A408-A419 HydrophobicContact CB-CB 3.71Å
409	G	91.5	Very high	93.7	Very high	42 Å²	42	63.4 Å²	63.4	43%	0.433	37%	0.371	S	S	.	.			trans	84.3	152.6	175.2	0	0	0	0	0	114.7
410	V	91.1	Very high	93.8	Very high	146 Å²	146	65 Å²	65	89%	0.885	38%	0.378	S	S	*	.	S	Bend	trans	-135.3	-13.1	176	-63.1	0	0	0	0	113.4
411	K	87.9	Confident	94	Very high	130 Å²	130	63.3 Å²	63.3	57%	0.565	37%	0.368	S	S	*	.	S	Bend	trans	-158.5	137.2	-178.3	-166	177.1	179.9	-178.2	0	111	N413 I414	K411-N413 VanDerWaalsContact CD-OD1 3.24Å; K411-N413 WeakPolarHBondContact CD-OD1 3.18Å; K411-N413 WeakPolarHBondContact CE-OD1 3.47Å; K411-N413 WeakPolarHBondContact CG-OD1 3.39Å; K411-N413 PolarHBondContact O-N 2.68Å; K411-I414 HydrophobicContact CB-CD1 4.15Å; K411-I414 HydrophobicContact CB-CG1 4.34Å; K411-I414 HydrophobicContact CD-CD1 4.21Å; K411-I414 PolarHBondContact O-N 2.96Å; K411-I414 VanDerWaalsContact O-N 3.09Å
412	V	89.4	Confident	94.1	Very high	149 Å²	149	64 Å²	64	90%	0.903	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-18.9	-172.7	-61.3	0	0	0	0	116
413	N	89.5	Confident	94.3	Very high	57 Å²	57	61.8 Å²	61.8	31%	0.305	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	10.7	-179.7	80.1	-64.3	0	0	0	114.4	S321 K411	S321-N413 PolarHBondContact N-O 3.09Å; S321-N413 WeakPolarHBondContact OG-CA 3.25Å; S321-N413 PolarHBondContact OG-O 3.2Å; K411-N413 VanDerWaalsContact CD-OD1 3.24Å; K411-N413 WeakPolarHBondContact CD-OD1 3.18Å; K411-N413 WeakPolarHBondContact CE-OD1 3.47Å; K411-N413 WeakPolarHBondContact CG-OD1 3.39Å; K411-N413 PolarHBondContact O-N 2.68Å
414	I	89.6	Confident	94.3	Very high	79 Å²	79	61.5 Å²	61.5	41%	0.405	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	126	-179.3	-56.1	178.6	0	0	0	109.2	K411	K411-I414 HydrophobicContact CB-CD1 4.15Å; K411-I414 HydrophobicContact CB-CG1 4.34Å; K411-I414 HydrophobicContact CD-CD1 4.21Å; K411-I414 PolarHBondContact O-N 2.96Å; K411-I414 VanDerWaalsContact O-N 3.09Å
415	I	92	Very high	94.5	Very high	25 Å²	25	57.5 Å²	57.5	13%	0.128	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	118.1	172.2	-56.3	172.5	0	0	0	107	P318 G319 P324	P318-I415 WeakPolarHBondContact CA-O 3.29Å; G319-I415 PolarHBondContact N-O 3.09Å; G319-I415 VanDerWaalsContact N-O 3.15Å; G319-I415 WeakPolarHBondContact O-CB 3.49Å; G319-I415 PolarHBondContact O-N 2.72Å; P324-I415 HydrophobicContact CB-CD1 3.83Å
416	P	94.6	Very high	94.5	Very high	20 Å²	20	56.5 Å²	56.5	13%	0.13	31%	0.311	C	S	.	.			trans	-72.1	142.6	-170.8	26.8	-33.2	0	0	0	112.6	S329 I330 A408 L418	S329-P416 PolarHBondContact OG-O 3.43Å; I330-P416 HydrophobicContact CD1-CG 3.8Å; I330-P416 HydrophobicContact CG1-CG 3.97Å; A408-P416 HydrophobicContact CB-CG 4.39Å; P416-L418 VanDerWaalsContact C-N 3.27Å; P416-L418 PolarHBondContact O-N 3Å
417	S	94.1	Very high	94.5	Very high	55 Å²	55	52.6 Å²	52.6	39%	0.385	29%	0.294	S	S	.	.	S	Bend	trans	-69.1	-22.5	171.5	47.7	0	0	0	0	113.5	T315 M316	T315-S417 CarbonylContact C-O 3.49Å; T315-S417 VanDerWaalsContact CA-O 3.27Å; T315-S417 WeakPolarHBondContact CA-O 3.32Å; M316-S417 PolarHBondContact N-O 3.35Å; M316-S417 WeakPolarHBondContact O-CA 3.27Å; M316-S417 WeakPolarHBondContact O-CB 3.5Å
418	L	97.1	Very high	94.4	Very high	73 Å²	73	48.9 Å²	48.9	38%	0.382	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	138.3	-177.6	-179.6	62.8	0	0	0	111	P416 E420	P416-L418 VanDerWaalsContact C-N 3.27Å; P416-L418 PolarHBondContact O-N 3Å; L418-E420 HydrophobicContact CD1-CG 3.91Å; L418-E420 HydrophobicContact CD2-CG 4.03Å; L418-E420 HydrophobicContact CG-CG 3.92Å
419	A	98.1	Very high	94.3	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	139.2	160.1	0	0	0	0	0	108.7	S313 V314 I330 L333 N407 A408	S313-A419 WeakPolarHBondContact CA-O 3.34Å; V314-A419 PolarHBondContact N-O 2.64Å; V314-A419 PolarHBondContact O-N 3.26Å; V314-A419 VanDerWaalsContact O-N 3.08Å; I330-A419 HydrophobicContact CG1-CB 4.44Å; L333-A419 HydrophobicContact CB-CB 4.24Å; L333-A419 VanDerWaalsContact CD2-C 3.49Å; L333-A419 HydrophobicContact CD2-CB 3.67Å; N407-A419 WeakPolarHBondContact O-CA 3.36Å; A408-A419 HydrophobicContact CB-CB 3.71Å
420	E	98.3	Very high	94.4	Very high	33 Å²	33	48.1 Å²	48.1	15%	0.154	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	146.1	176.4	-57.3	-162.3	135.2	0	0	111.6	K311 L312 L333 F406 N407 L418 Y422	K311-E420 WeakPolarHBondContact CD-OE1 3.33Å; K311-E420 WeakPolarHBondContact CE-OE1 3.38Å; K311-E420 IonicContact NZ-OE1 2.72Å; K311-E420 PolarHBondContact NZ-OE1 3.26Å; L312-E420 CarbonylContact O-C 3.55Å; L312-E420 WeakPolarHBondContact O-CA 3.44Å; L333-E420 VanDerWaalsContact CD2-C 3.48Å; F406-E420 CarbonylContact C-O 3.6Å; F406-E420 WeakPolarHBondContact CA-O 3.36Å; N407-E420 PolarHBondContact N-O 3.04Å; N407-E420 PolarHBondContact O-N 3.11Å; L418-E420 HydrophobicContact CD1-CG 3.91Å; L418-E420 HydrophobicContact CD2-CG 4.03Å; L418-E420 HydrophobicContact CG-CG 3.92Å; E420-Y422 HydrophobicContact CB-CE2 4.14Å; E420-Y422 PolarHBondContact OE2-OH 3.13Å
421	A	98.3	Very high	94.6	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	144.6	172	0	0	0	0	0	110.1	K311 L312 L333 V337 V403 M405 F406	K311-A421 WeakPolarHBondContact CA-O 3.31Å; L312-A421 HydrophobicContact CB-CB 4.49Å; L312-A421 PolarHBondContact N-O 3.48Å; L312-A421 PolarHBondContact O-N 3.16Å; L333-A421 HydrophobicContact CD1-CB 4.34Å; L333-A421 HydrophobicContact CD2-CB 4Å; L333-A421 HydrophobicContact CG-CB 4.34Å; V337-A421 HydrophobicContact CG2-CB 3.88Å; V403-A421 HydrophobicContact CG1-CB 4.4Å; M405-A421 CarbonylContact O-C 3.57Å; M405-A421 VanDerWaalsContact O-CA 3.25Å; M405-A421 WeakPolarHBondContact O-CA 3.49Å; F406-A421 HydrophobicContact CD2-CB 3.71Å; F406-A421 HydrophobicContact CE2-CB 4.2Å; F406-A421 HydrophobicContact CG-CB 4.36Å
422	Y	98	Very high	95	Very high	59 Å²	59	38.7 Å²	38.7	23%	0.231	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	129.2	-178.1	-65.8	-106	0	0	0	109.1	K311 V403 T404 M405 E420	K311-Y422 HydrophobicContact CB-CD1 4.24Å; K311-Y422 HydrophobicContact CB-CE1 4.1Å; K311-Y422 HydrophobicContact CD-CE1 3.71Å; K311-Y422 HydrophobicContact CD-CE2 4.08Å; K311-Y422 VanDerWaalsContact CD-CZ 3.41Å; K311-Y422 WeakPolarHBondContact CD-OH 3.26Å; K311-Y422 HydrophobicContact CG-CD1 4.29Å; K311-Y422 HydrophobicContact CG-CE1 3.91Å; K311-Y422 HydrophobicContact CG-CE2 4.19Å; V403-Y422 WeakPolarHBondContact CA-O 3.4Å; T404-Y422 PolarHBondContact N-O 3.46Å; T404-Y422 PolarHBondContact OG1-O 3.29Å; M405-Y422 HydrophobicContact CB-CD2 3.99Å; M405-Y422 HydrophobicContact CB-CG 4.41Å; M405-Y422 PolarHBondContact O-N 3.01Å; E420-Y422 HydrophobicContact CB-CE2 4.14Å; E420-Y422 PolarHBondContact OE2-OH 3.13Å
423	V	97.7	Very high	95.4	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.012	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	111.9	-173.7	-170.2	0	0	0	0	108.4	V310 L312 T401 A402 V403 L425	V310-V423 PolarHBondContact N-O 3.3Å; V310-V423 PolarHBondContact O-N 3.49Å; L312-V423 HydrophobicContact CD1-CG2 3.77Å; L312-V423 HydrophobicContact CG-CG2 4.07Å; T401-V423 HydrophobicContact CG2-CG1 3.46Å; T401-V423 VanDerWaalsContact CG2-CG1 3.46Å; A402-V423 CarbonylContact O-C 3.55Å; A402-V423 WeakPolarHBondContact O-CA 3.46Å; V403-V423 HydrophobicContact CG2-CG2 4.34Å; V423-L425 HydrophobicContact CG1-CD1 4.3Å; V423-L425 HydrophobicContact CG1-CG 4.26Å
424	N	96.6	Very high	95.8	Very high	35 Å²	35	35 Å²	35	19%	0.187	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	136.5	170.9	-175.8	-103.2	0	0	0	109.9	A308 N309 A402 T404	A308-N424 WeakPolarHBondContact O-CA 3.35Å; N309-N424 PolarHBondContact OD1-ND2 2.93Å; A402-N424 PolarHBondContact N-O 3.25Å; A402-N424 PolarHBondContact O-N 2.86Å; T404-N424 HydrophobicContact CG2-CB 3.85Å
425	L	95.9	Very high	96.1	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	133.8	-178.3	-63.8	130.4	0	0	0	110	S307 A308 V310 L345 T399 T400 T401 V423 V436 I440	S307-L425 WeakPolarHBondContact CA-O 3.32Å; A308-L425 HydrophobicContact CB-CB 4.34Å; A308-L425 HydrophobicContact CB-CD1 4.26Å; A308-L425 PolarHBondContact N-O 3.42Å; A308-L425 PolarHBondContact O-N 2.92Å; V310-L425 HydrophobicContact CB-CD1 4.26Å; V310-L425 HydrophobicContact CG2-CD1 3.7Å; L345-L425 HydrophobicContact CD1-CD2 4.36Å; T399-L425 HydrophobicContact CG2-CD2 4.26Å; T400-L425 VanDerWaalsContact O-CA 3.28Å; T400-L425 WeakPolarHBondContact O-CA 3.31Å; T401-L425 HydrophobicContact CG2-CD2 4.09Å; T401-L425 WeakPolarHBondContact OG1-CD2 3.25Å; V423-L425 HydrophobicContact CG1-CD1 4.3Å; V423-L425 HydrophobicContact CG1-CG 4.26Å; L425-V436 HydrophobicContact CD1-CG1 4.42Å; L425-V436 HydrophobicContact CD2-CG1 3.85Å; L425-I440 HydrophobicContact CD1-CD1 3.54Å; L425-I440 HydrophobicContact CD2-CD1 3.94Å; L425-I440 HydrophobicContact CG-CD1 4.39Å
426	R	95.5	Very high	96.4	Very high	79 Å²	79	34.7 Å²	34.7	30%	0.298	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	106.2	169.3	-59.1	-67	-174.4	135.8	7.9	108.7	K305 G306 T399 T400 N496	K305-R426 HydrophobicContact CD-CB 4.37Å; K305-R426 WeakPolarHBondContact CE-O 3.11Å; K305-R426 PolarHBondContact NZ-O 2.66Å; G306-R426 CarbonylContact O-C 3.53Å; G306-R426 WeakPolarHBondContact O-CA 3.26Å; T399-R426 VanDerWaalsContact CA-O 3.28Å; T399-R426 WeakPolarHBondContact CA-O 3.47Å; T400-R426 PolarHBondContact N-O 3.34Å; T400-R426 PolarHBondContact O-N 3.03Å; T400-R426 VanDerWaalsContact O-N 3.16Å; R426-N496 PolarHBondContact NH1-OD1 3.02Å
427	I	96.4	Very high	96.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	133.4	-164.6	-53.5	169.2	0	0	0	110.6	K305 G306 A308 T399 Q431 L433 V436 P459	K305-I427 WeakPolarHBondContact CA-O 3.02Å; K305-I427 WeakPolarHBondContact CB-O 3.33Å; K305-I427 VanDerWaalsContact CE-O 3.29Å; K305-I427 WeakPolarHBondContact CE-O 3.36Å; G306-I427 PolarHBondContact N-O 3.04Å; G306-I427 VanDerWaalsContact N-O 3.13Å; G306-I427 PolarHBondContact O-N 3.39Å; A308-I427 HydrophobicContact CB-CD1 4.46Å; T399-I427 HydrophobicContact CG2-CG1 4.37Å; T399-I427 WeakPolarHBondContact OG1-CA 3.4Å; I427-Q431 HydrophobicContact CG2-CB 3.97Å; I427-Q431 VanDerWaalsContact CG2-O 3.3Å; I427-Q431 WeakPolarHBondContact CG2-O 3.36Å; I427-L433 HydrophobicContact CD1-CB 4.19Å; I427-L433 HydrophobicContact CD1-CD1 3.84Å; I427-V436 HydrophobicContact CG1-CG2 4.29Å; I427-V436 HydrophobicContact CG2-CG2 3.92Å; I427-P459 HydrophobicContact CB-CG 4.25Å; I427-P459 HydrophobicContact CG2-CG 3.88Å
428	H	95.7	Very high	96.7	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	19%	0.185	C	C	.	.			trans	-64.3	143.5	175.6	-158.5	-98.8	0	0	0	110.7	L348 E354 L396 R398 T399 A430 Q431 P459	L348-H428 WeakPolarHBondContact CB-ND1 3.26Å; L348-H428 HydrophobicContact CD1-CB 3.89Å; L348-H428 PolarHBondContact O-CE1 3.11Å; E354-H428 IonicContact OE1-CE1 2.71Å; E354-H428 IonicContact OE2-CE1 3.56Å; E354-H428 IonicContact OE2-NE2 2.68Å; L396-H428 PolarHBondContact O-NE2 2.77Å; R398-H428 PolarHBondContact N-CD2 3.06Å; T399-H428 PolarHBondContact OG1-N 3.24Å; H428-A430 PolarHBondContact ND1-N 2.82Å; H428-A430 PolarHBondContact O-N 2.74Å; H428-Q431 PolarHBondContact O-N 3.44Å; H428-P459 WeakPolarHBondContact O-CG 3.5Å
429	S	93.3	Very high	96.8	Very high	27 Å²	27	35.4 Å²	35.4	19%	0.189	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-23.1	175.7	48.2	0	0	0	0	114.7
430	A	93.6	Very high	96.7	Very high	39 Å²	39	35.5 Å²	35.5	32%	0.322	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	23.2	176.8	0	0	0	0	0	113.8	H351 H428	H351-A430 HydrophobicContact CB-CB 3.7Å; H428-A430 PolarHBondContact ND1-N 2.82Å; H428-A430 PolarHBondContact O-N 2.74Å
431	Q	95.3	Very high	96.7	Very high	21 Å²	21	38.7 Å²	38.7	10%	0.098	19%	0.193	C	C	.	.			trans	-142.5	142.9	176.4	-104.7	-176.5	-28.7	0	0	111.4	L348 T399 I427 H428 V436 P459	L348-Q431 HydrophobicContact CD1-CB 4.25Å; L348-Q431 HydrophobicContact CD1-CG 3.65Å; T399-Q431 PolarHBondContact OG1-OE1 2.74Å; I427-Q431 HydrophobicContact CG2-CB 3.97Å; I427-Q431 VanDerWaalsContact CG2-O 3.3Å; I427-Q431 WeakPolarHBondContact CG2-O 3.36Å; H428-Q431 PolarHBondContact O-N 3.44Å; Q431-V436 HydrophobicContact CB-CG2 4.44Å; Q431-P459 VanDerWaalsContact O-CD 3.27Å; Q431-P459 WeakPolarHBondContact O-CD 3.42Å; Q431-P459 WeakPolarHBondContact O-CG 3.41Å
432	T	96.4	Very high	96.7	Very high	58 Å²	58	42.5 Å²	42.5	36%	0.356	23%	0.225	S	C	.	.			trans	-86	160.3	170.3	62.3	0	0	0	0	112	Q434 E435 V436 D458	T432-Q434 PolarHBondContact O-N 2.9Å; T432-E435 WeakPolarHBondContact CB-OE2 3.47Å; T432-E435 PolarHBondContact N-OE2 3.35Å; T432-E435 PolarHBondContact O-N 3.28Å; T432-E435 VanDerWaalsContact OG1-CG 3.28Å; T432-E435 WeakPolarHBondContact OG1-CG 3.34Å; T432-E435 PolarHBondContact OG1-N 2.81Å; T432-E435 PolarHBondContact OG1-OE2 2.76Å; T432-V436 WeakPolarHBondContact O-CG2 3.43Å; T432-V436 PolarHBondContact O-N 3.14Å; T432-D458 WeakPolarHBondContact CA-OD1 3.4Å; T432-D458 WeakPolarHBondContact CB-OD1 2.99Å
433	L	96.9	Very high	96.6	Very high	20 Å²	20	40.8 Å²	40.8	11%	0.105	22%	0.22	C	C	.	.	H	α-helix	trans	-57.6	-37.6	169.8	175.8	60.2	0	0	0	111.9	A308 I427 V436 L437 L453 D458	A308-L433 HydrophobicContact CB-CD1 3.64Å; I427-L433 HydrophobicContact CD1-CB 4.19Å; I427-L433 HydrophobicContact CD1-CD1 3.84Å; L433-V436 PolarHBondContact O-N 3.49Å; L433-L437 HydrophobicContact CD1-CD1 4.26Å; L433-L437 HydrophobicContact CD1-CG 4.32Å; L433-L437 HydrophobicContact CG-CD1 4.13Å; L433-L437 WeakPolarHBondContact O-CG 3.35Å; L433-L437 PolarHBondContact O-N 2.94Å; L433-L453 HydrophobicContact CD1-CD1 4.21Å; L433-L453 HydrophobicContact CD2-CD2 4.07Å; L433-D458 WeakPolarHBondContact CB-OD1 3.34Å; L433-D458 PolarHBondContact N-OD1 2.76Å
434	Q	97.6	Very high	96.6	Very high	109 Å²	109	40.8 Å²	40.8	51%	0.509	22%	0.22	S	C	.	.	H	α-helix	trans	-67.1	-46.5	-179.4	-170.9	60.6	53.7	0	0	111.8	T432 V436 L437 D438	T432-Q434 PolarHBondContact O-N 2.9Å; Q434-V436 PolarHBondContact O-N 3.39Å; Q434-L437 PolarHBondContact O-N 3.48Å; Q434-L437 VanDerWaalsContact O-N 3.12Å; Q434-D438 PolarHBondContact NE2-OD1 2.81Å; Q434-D438 WeakPolarHBondContact O-CB 3.18Å; Q434-D438 PolarHBondContact O-N 3.12Å
435	E	97.7	Very high	96.6	Very high	96 Å²	96	42.2 Å²	42.2	45%	0.449	24%	0.244	S	C	.	.	H	α-helix	trans	-60.3	-33.3	176.8	-70.6	163.2	116.5	0	0	112.4	T432 F439	T432-E435 WeakPolarHBondContact CB-OE2 3.47Å; T432-E435 PolarHBondContact N-OE2 3.35Å; T432-E435 PolarHBondContact O-N 3.28Å; T432-E435 VanDerWaalsContact OG1-CG 3.28Å; T432-E435 WeakPolarHBondContact OG1-CG 3.34Å; T432-E435 PolarHBondContact OG1-N 2.81Å; T432-E435 PolarHBondContact OG1-OE2 2.76Å; E435-F439 WeakPolarHBondContact O-CB 3.29Å; E435-F439 PolarHBondContact O-N 3.5Å
436	V	97.8	Very high	96.6	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.006	25%	0.251	C	S	.	.	H	α-helix	trans	-70.9	-42.2	175.3	174	0	0	0	0	111.4	L345 T399 L425 I427 Q431 T432 L433 Q434 F439 I440	L345-V436 HydrophobicContact CD2-CB 4.41Å; L345-V436 HydrophobicContact CD2-CG1 4.29Å; L345-V436 HydrophobicContact CD2-CG2 3.95Å; T399-V436 HydrophobicContact CG2-CG1 4.09Å; T399-V436 HydrophobicContact CG2-CG2 3.91Å; L425-V436 HydrophobicContact CD1-CG1 4.42Å; L425-V436 HydrophobicContact CD2-CG1 3.85Å; I427-V436 HydrophobicContact CG1-CG2 4.29Å; I427-V436 HydrophobicContact CG2-CG2 3.92Å; Q431-V436 HydrophobicContact CB-CG2 4.44Å; T432-V436 WeakPolarHBondContact O-CG2 3.43Å; T432-V436 PolarHBondContact O-N 3.14Å; L433-V436 PolarHBondContact O-N 3.49Å; Q434-V436 PolarHBondContact O-N 3.39Å; V436-F439 PolarHBondContact O-N 3.05Å; V436-I440 HydrophobicContact CG1-CD1 4.03Å; V436-I440 WeakPolarHBondContact O-CD1 3.36Å; V436-I440 VanDerWaalsContact O-CG1 3.26Å; V436-I440 WeakPolarHBondContact O-CG1 3.28Å; V436-I440 PolarHBondContact O-N 2.95Å
437	L	97.8	Very high	96.6	Very high	21 Å²	21	49.7 Å²	49.7	11%	0.11	28%	0.283	C	S	.	.	H	α-helix	trans	-64.6	-44	174.4	-71.7	170.8	0	0	0	111.7	V310 L433 Q434 F439 I440 H441 L453	V310-L437 HydrophobicContact CG2-CD2 3.69Å; L433-L437 HydrophobicContact CD1-CD1 4.26Å; L433-L437 HydrophobicContact CD1-CG 4.32Å; L433-L437 HydrophobicContact CG-CD1 4.13Å; L433-L437 WeakPolarHBondContact O-CG 3.35Å; L433-L437 PolarHBondContact O-N 2.94Å; Q434-L437 PolarHBondContact O-N 3.48Å; Q434-L437 VanDerWaalsContact O-N 3.12Å; L437-F439 VanDerWaalsContact C-N 3.31Å; L437-F439 PolarHBondContact O-N 3.43Å; L437-I440 PolarHBondContact O-N 3.21Å; L437-I440 VanDerWaalsContact O-N 3.12Å; L437-H441 PolarHBondContact O-CD2 2.9Å; L437-H441 VanDerWaalsContact O-CD2 3.26Å; L437-H441 PolarHBondContact O-N 2.61Å; L437-L453 HydrophobicContact CD1-CD2 4.38Å; L437-L453 HydrophobicContact CD2-CD1 4.37Å
438	D	97.8	Very high	96.7	Very high	86 Å²	86	55 Å²	55	46%	0.46	30%	0.303	S	S	.	.	H	α-helix	trans	-61.1	-40.9	177	-66.6	-16.2	0	0	0	111.2	Q434 H441 A442	Q434-D438 PolarHBondContact NE2-OD1 2.81Å; Q434-D438 WeakPolarHBondContact O-CB 3.18Å; Q434-D438 PolarHBondContact O-N 3.12Å; D438-H441 PolarHBondContact O-N 3.47Å; D438-A442 WeakPolarHBondContact O-CB 3.34Å; D438-A442 PolarHBondContact O-N 2.84Å
439	F	97.4	Very high	96.8	Very high	56 Å²	56	55.4 Å²	55.4	25%	0.246	31%	0.306	C	S	.	.	H	α-helix	trans	-62.2	-41.7	172.8	-178.9	-85	0	0	0	112.5	N343 L345 E435 V436 L437 A442 T443	N343-F439 VanDerWaalsContact O-CE1 3.31Å; N343-F439 WeakPolarHBondContact O-CE1 3.24Å; N343-F439 VanDerWaalsContact O-CZ 3.26Å; N343-F439 WeakPolarHBondContact O-CZ 3.24Å; L345-F439 HydrophobicContact CD1-CD1 3.86Å; L345-F439 HydrophobicContact CD1-CE1 3.94Å; L345-F439 HydrophobicContact CD2-CB 4.2Å; L345-F439 HydrophobicContact CD2-CD1 3.95Å; L345-F439 HydrophobicContact CD2-CG 3.98Å; L345-F439 HydrophobicContact CG-CD1 3.54Å; L345-F439 HydrophobicContact CG-CD2 4.45Å; L345-F439 HydrophobicContact CG-CE1 3.67Å; L345-F439 HydrophobicContact CG-CG 3.97Å; L345-F439 HydrophobicContact CG-CZ 4.19Å; E435-F439 WeakPolarHBondContact O-CB 3.29Å; E435-F439 PolarHBondContact O-N 3.5Å; V436-F439 PolarHBondContact O-N 3.05Å; L437-F439 VanDerWaalsContact C-N 3.31Å; L437-F439 PolarHBondContact O-N 3.43Å; F439-A442 PolarHBondContact O-N 3.48Å; F439-T443 WeakPolarHBondContact CE1-OG1 3.22Å; F439-T443 VanDerWaalsContact O-CB 3.24Å; F439-T443 WeakPolarHBondContact O-CB 3.28Å; F439-T443 PolarHBondContact O-N 2.88Å; F439-T443 PolarHBondContact O-OG1 2.67Å
440	I	97.4	Very high	97	Very high	1 Å²	1	59.4 Å²	59.4	1%	0.005	32%	0.32	C	S	.	.	H	α-helix	trans	-65.1	-45.2	176.9	-69.1	162.1	0	0	0	110.1	V310 L312 L340 L425 V436 L437 A442 T443 V444 I451	V310-I440 HydrophobicContact CG2-CD1 4.3Å; L312-I440 HydrophobicContact CD2-CG2 4.4Å; L340-I440 HydrophobicContact CD1-CG2 4.42Å; L340-I440 HydrophobicContact CD2-CB 4.31Å; L340-I440 HydrophobicContact CD2-CG1 4.15Å; L340-I440 HydrophobicContact CD2-CG2 4.11Å; L425-I440 HydrophobicContact CD1-CD1 3.54Å; L425-I440 HydrophobicContact CD2-CD1 3.94Å; L425-I440 HydrophobicContact CG-CD1 4.39Å; V436-I440 HydrophobicContact CG1-CD1 4.03Å; V436-I440 WeakPolarHBondContact O-CD1 3.36Å; V436-I440 VanDerWaalsContact O-CG1 3.26Å; V436-I440 WeakPolarHBondContact O-CG1 3.28Å; V436-I440 PolarHBondContact O-N 2.95Å; L437-I440 PolarHBondContact O-N 3.21Å; L437-I440 VanDerWaalsContact O-N 3.12Å; I440-A442 PolarHBondContact O-N 3.41Å; I440-T443 PolarHBondContact O-N 2.7Å; I440-V444 HydrophobicContact CG2-CG2 4.29Å; I440-V444 VanDerWaalsContact O-CB 3.32Å; I440-V444 WeakPolarHBondContact O-CB 3.43Å; I440-V444 VanDerWaalsContact O-CG2 3.26Å; I440-V444 WeakPolarHBondContact O-CG2 3.31Å; I440-V444 PolarHBondContact O-N 2.7Å; I440-I451 HydrophobicContact CG2-CD1 4.12Å; I440-I451 HydrophobicContact CG2-CG2 4.21Å
441	H	97.6	Very high	97.3	Very high	101 Å²	101	58.8 Å²	58.8	47%	0.468	31%	0.31	S	S	.	.	H	α-helix	trans	-58.3	-47.5	174.8	-86.2	-79.6	0	0	0	112.4	L437 D438 G445	L437-H441 PolarHBondContact O-CD2 2.9Å; L437-H441 VanDerWaalsContact O-CD2 3.26Å; L437-H441 PolarHBondContact O-N 2.61Å; D438-H441 PolarHBondContact O-N 3.47Å; H441-G445 PolarHBondContact O-N 2.86Å
442	A	97.8	Very high	97.4	Very high	80 Å²	80	60.7 Å²	60.7	66%	0.661	32%	0.319	S	S	*	.	H	α-helix	trans	-63.7	-43.5	178.6	0	0	0	0	0	112.5	D438 F439 I440	D438-A442 WeakPolarHBondContact O-CB 3.34Å; D438-A442 PolarHBondContact O-N 2.84Å; F439-A442 PolarHBondContact O-N 3.48Å; I440-A442 PolarHBondContact O-N 3.41Å
443	T	97.6	Very high	97.5	Very high	22 Å²	22	61.4 Å²	61.4	14%	0.135	32%	0.321	C	S	.	.	H	α-helix	trans	-70.9	-37.3	-179.4	-59.9	0	0	0	0	112.6	R339 L340 N343 F439 I440	R339-T443 HydrophobicContact CB-CG2 4.23Å; R339-T443 WeakPolarHBondContact CB-O 3.46Å; R339-T443 WeakPolarHBondContact CD-O 3.26Å; R339-T443 PolarHBondContact NE-O 2.89Å; R339-T443 WeakPolarHBondContact O-CG2 3.46Å; L340-T443 HydrophobicContact CD2-CG2 3.7Å; L340-T443 HydrophobicContact CG-CG2 4.16Å; N343-T443 HydrophobicContact CB-CG2 3.83Å; F439-T443 WeakPolarHBondContact CE1-OG1 3.22Å; F439-T443 VanDerWaalsContact O-CB 3.24Å; F439-T443 WeakPolarHBondContact O-CB 3.28Å; F439-T443 PolarHBondContact O-N 2.88Å; F439-T443 PolarHBondContact O-OG1 2.67Å; I440-T443 PolarHBondContact O-N 2.7Å
444	V	97.3	Very high	97.4	Very high	2 Å²	2	64.5 Å²	64.5	1%	0.012	34%	0.337	C	S	.	.	H	α-helix	trans	-65.9	-46.7	174.3	166.6	0	0	0	0	110.5	L312 A336 R339 L340 I440 D446 V449 I451	L312-V444 HydrophobicContact CD2-CG2 4.35Å; A336-V444 HydrophobicContact CB-CG1 4.08Å; A336-V444 HydrophobicContact CB-CG2 4.43Å; R339-V444 PolarHBondContact NE-O 3.32Å; R339-V444 PolarHBondContact NH2-O 3.23Å; L340-V444 HydrophobicContact CD1-CG2 3.83Å; L340-V444 HydrophobicContact CD2-CG2 4.29Å; L340-V444 HydrophobicContact CG-CG2 4.1Å; I440-V444 HydrophobicContact CG2-CG2 4.29Å; I440-V444 VanDerWaalsContact O-CB 3.32Å; I440-V444 WeakPolarHBondContact O-CB 3.43Å; I440-V444 VanDerWaalsContact O-CG2 3.26Å; I440-V444 WeakPolarHBondContact O-CG2 3.31Å; I440-V444 PolarHBondContact O-N 2.7Å; V444-D446 PolarHBondContact O-N 3.24Å; V444-V449 HydrophobicContact CG1-CB 3.71Å; V444-V449 HydrophobicContact CG1-CG1 3.9Å; V444-V449 HydrophobicContact CG1-CG2 3.97Å; V444-I451 HydrophobicContact CB-CD1 3.88Å; V444-I451 HydrophobicContact CG1-CD1 4Å; V444-I451 HydrophobicContact CG2-CD1 3.9Å
445	G	95.2	Very high	97.2	Very high	66 Å²	66	60.8 Å²	60.8	68%	0.68	32%	0.32	S	S	*	.			trans	59.8	12.9	167.4	0	0	0	0	0	117.1	H441	H441-G445 PolarHBondContact O-N 2.86Å
446	D	97.1	Very high	97	Very high	31 Å²	31	57.7 Å²	57.7	17%	0.166	31%	0.314	C	S	.	.			trans	-130.5	114	-177.9	-172	-27	0	0	0	109.8	V444 R448 V449	V444-D446 PolarHBondContact O-N 3.24Å; D446-R448 PolarHBondContact O-N 3.42Å; D446-R448 VanDerWaalsContact O-N 3.07Å; D446-R448 VanDerWaalsContact OD1-CB 3.25Å; D446-R448 WeakPolarHBondContact OD1-CB 3.13Å; D446-R448 WeakPolarHBondContact OD1-CG 3.29Å; D446-R448 IonicContact OD1-CZ 3.28Å; D446-R448 PolarHBondContact OD1-N 2.86Å; D446-R448 IonicContact OD1-NE 2.92Å; D446-R448 PolarHBondContact OD1-NE 3.4Å; D446-R448 IonicContact OD1-NH2 3.64Å; D446-R448 IonicContact OD2-CZ 2.75Å; D446-R448 IonicContact OD2-NE 3.22Å; D446-R448 PolarHBondContact OD2-NE 3.5Å; D446-R448 IonicContact OD2-NH2 2.76Å; D446-R448 PolarHBondContact OD2-NH2 2.97Å; D446-V449 HydrophobicContact CB-CG2 4.19Å; D446-V449 PolarHBondContact O-N 3.41Å; D446-V449 VanDerWaalsContact O-N 3.09Å
447	Q	96	Very high	96.8	Very high	205 Å²	205	59.7 Å²	59.7	96%	0.958	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-11	-176.3	-64.8	-179.5	-8.7	0	0	113.9	V449	Q447-V449 VanDerWaalsContact C-N 3.32Å
448	R	97.2	Very high	96.7	Very high	112 Å²	112	62.4 Å²	62.4	42%	0.423	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-13.4	176.3	-56.3	172.6	-66.6	179.1	6	112.7	E327 I332 D446	E327-R448 IonicContact OE1-CZ 3.78Å; E327-R448 IonicContact OE1-NH1 3.05Å; E327-R448 PolarHBondContact OE1-NH1 3.43Å; E327-R448 IonicContact OE1-NH2 3.87Å; E327-R448 PolarHBondContact OE1-NH2 2.88Å; E327-R448 IonicContact OE2-CZ 3.03Å; E327-R448 IonicContact OE2-NH1 2.77Å; E327-R448 PolarHBondContact OE2-NH1 2.68Å; E327-R448 IonicContact OE2-NH2 3.95Å; I332-R448 HydrophobicContact CG2-CB 4.37Å; D446-R448 PolarHBondContact O-N 3.42Å; D446-R448 VanDerWaalsContact O-N 3.07Å; D446-R448 VanDerWaalsContact OD1-CB 3.25Å; D446-R448 WeakPolarHBondContact OD1-CB 3.13Å; D446-R448 WeakPolarHBondContact OD1-CG 3.29Å; D446-R448 IonicContact OD1-CZ 3.28Å; D446-R448 PolarHBondContact OD1-N 2.86Å; D446-R448 IonicContact OD1-NE 2.92Å; D446-R448 PolarHBondContact OD1-NE 3.4Å; D446-R448 IonicContact OD1-NH2 3.64Å; D446-R448 IonicContact OD2-CZ 2.75Å; D446-R448 IonicContact OD2-NE 3.22Å; D446-R448 PolarHBondContact OD2-NE 3.5Å; D446-R448 IonicContact OD2-NH2 2.76Å; D446-R448 PolarHBondContact OD2-NH2 2.97Å
449	V	98.4	Very high	96.4	Very high	10 Å²	10	59.3 Å²	59.3	6%	0.061	32%	0.321	C	S	.	.	S	Bend	trans	-92.4	108.3	175.4	-174.4	0	0	0	0	108.5	L312 S313 V314 I332 L333 A336 V444 D446 Q447 I451	L312-V449 HydrophobicContact CB-CG1 4.14Å; L312-V449 HydrophobicContact CD2-CG1 4.36Å; S313-V449 CarbonylContact O-C 3.54Å; S313-V449 WeakPolarHBondContact O-CA 3.34Å; V314-V449 HydrophobicContact CG2-CB 4.31Å; V314-V449 HydrophobicContact CG2-CG1 4.47Å; V314-V449 HydrophobicContact CG2-CG2 3.79Å; I332-V449 HydrophobicContact CG2-CG2 3.98Å; L333-V449 HydrophobicContact CD1-CG1 4.34Å; A336-V449 HydrophobicContact CB-CG2 3.9Å; V444-V449 HydrophobicContact CG1-CB 3.71Å; V444-V449 HydrophobicContact CG1-CG1 3.9Å; V444-V449 HydrophobicContact CG1-CG2 3.97Å; D446-V449 HydrophobicContact CB-CG2 4.19Å; D446-V449 PolarHBondContact O-N 3.41Å; D446-V449 VanDerWaalsContact O-N 3.09Å; Q447-V449 VanDerWaalsContact C-N 3.32Å; V449-I451 HydrophobicContact CG1-CG1 4.4Å; V449-I451 PolarHBondContact O-N 3.39Å
450	K	98.3	Very high	96.2	Very high	111 Å²	111	57.2 Å²	57.2	48%	0.483	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	129.4	167.5	-174.7	-162	174.7	-160.2	0	108.1	L312 S313 E452	L312-K450 CarbonylContact C-O 3.59Å; L312-K450 WeakPolarHBondContact CA-O 3.42Å; S313-K450 PolarHBondContact N-O 2.92Å; S313-K450 PolarHBondContact O-N 3.05Å; K450-E452 IonicContact NZ-OE1 3.89Å; K450-E452 PolarHBondContact NZ-OE1 3.04Å; K450-E452 IonicContact NZ-OE2 3.97Å; K450-E452 PolarHBondContact NZ-OE2 2.8Å
451	I	98.2	Very high	95.9	Very high	25 Å²	25	61.4 Å²	61.4	13%	0.128	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	132.7	174.3	-50.1	-170	0	0	0	107.3	V310 L312 I440 V444 V449	V310-I451 HydrophobicContact CG1-CG2 3.54Å; L312-I451 HydrophobicContact CD2-CB 4.26Å; L312-I451 HydrophobicContact CD2-CD1 4.12Å; L312-I451 HydrophobicContact CD2-CG1 3.79Å; L312-I451 HydrophobicContact CD2-CG2 3.97Å; I440-I451 HydrophobicContact CG2-CD1 4.12Å; I440-I451 HydrophobicContact CG2-CG2 4.21Å; V444-I451 HydrophobicContact CB-CD1 3.88Å; V444-I451 HydrophobicContact CG1-CD1 4Å; V444-I451 HydrophobicContact CG2-CD1 3.9Å; V449-I451 HydrophobicContact CG1-CG1 4.4Å; V449-I451 PolarHBondContact O-N 3.39Å
452	E	97.9	Very high	95.8	Very high	61 Å²	61	60.5 Å²	60.5	29%	0.285	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	113.3	-169.9	178.8	165.3	-138.7	0	0	109.6	V310 K311 K450 I454	V310-E452 CarbonylContact C-O 3.43Å; V310-E452 WeakPolarHBondContact CA-O 3.45Å; K311-E452 HydrophobicContact CB-CB 4.43Å; K311-E452 WeakPolarHBondContact CE-OE2 3.39Å; K311-E452 PolarHBondContact N-O 3.26Å; K311-E452 IonicContact NZ-OE2 3.2Å; K311-E452 PolarHBondContact O-N 3.12Å; K450-E452 IonicContact NZ-OE1 3.89Å; K450-E452 PolarHBondContact NZ-OE1 3.04Å; K450-E452 IonicContact NZ-OE2 3.97Å; K450-E452 PolarHBondContact NZ-OE2 2.8Å; E452-I454 HydrophobicContact CG-CD1 4.15Å; E452-I454 PolarHBondContact O-N 3.28Å
453	L	97.8	Very high	95.8	Very high	74 Å²	74	57 Å²	57	39%	0.387	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	113.6	169.2	-178.1	72	0	0	0	108	A308 V310 L433 L437 D455	A308-L453 HydrophobicContact CB-CD1 3.99Å; V310-L453 HydrophobicContact CG2-CD1 4.13Å; L433-L453 HydrophobicContact CD1-CD1 4.21Å; L433-L453 HydrophobicContact CD2-CD2 4.07Å; L437-L453 HydrophobicContact CD1-CD2 4.38Å; L437-L453 HydrophobicContact CD2-CD1 4.37Å; L453-D455 WeakPolarHBondContact CD1-O 3.44Å
454	I	96.4	Very high	95.6	Very high	85 Å²	85	57.7 Å²	57.7	44%	0.436	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	-47.4	174.8	-59.3	-61.6	0	0	0	108.9	N309 K311 E452	N309-I454 HydrophobicContact CB-CB 4.35Å; N309-I454 WeakPolarHBondContact O-CB 3.46Å; N309-I454 PolarHBondContact O-N 3.18Å; K311-I454 HydrophobicContact CB-CD1 3.8Å; K311-I454 HydrophobicContact CB-CG1 3.82Å; K311-I454 HydrophobicContact CD-CD1 4.42Å; E452-I454 HydrophobicContact CG-CD1 4.15Å; E452-I454 PolarHBondContact O-N 3.28Å
455	D	93.1	Very high	95.4	Very high	31 Å²	31	58.5 Å²	58.5	17%	0.166	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	157.5	172.7	71.3	87.4	0	0	0	110	R256 A308 N309 L453	R256-D455 IonicContact CZ-OD1 3.68Å; R256-D455 IonicContact NH1-OD1 3.78Å; R256-D455 IonicContact NH1-OD2 3.99Å; R256-D455 VanDerWaalsContact NH2-CG 3.27Å; R256-D455 IonicContact NH2-OD1 3.12Å; R256-D455 PolarHBondContact NH2-OD1 2.94Å; R256-D455 IonicContact NH2-OD2 2.79Å; A308-D455 WeakPolarHBondContact CA-O 3.38Å; N309-D455 WeakPolarHBondContact CB-OD2 3.46Å; N309-D455 PolarHBondContact N-O 2.69Å; N309-D455 PolarHBondContact ND2-OD1 3.1Å; N309-D455 PolarHBondContact ND2-OD2 2.95Å; N309-D455 PolarHBondContact O-N 2.88Å; L453-D455 WeakPolarHBondContact CD1-O 3.44Å
456	G	93.1	Very high	95.2	Very high	30 Å²	30	59 Å²	59	31%	0.309	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	176.9	169.8	170.7	0	0	0	0	0	113.7	S307	S307-G456 CarbonylContact O-C 3.58Å; S307-G456 WeakPolarHBondContact O-CA 3.31Å
457	F	93.6	Very high	94.7	Very high	44 Å²	44	61.8 Å²	61.8	19%	0.193	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	146.7	175.9	56.3	-79.6	0	0	0	111	G306 S307 N496	G306-F457 WeakPolarHBondContact CA-O 3.47Å; S307-F457 PolarHBondContact N-O 3.48Å; S307-F457 VanDerWaalsContact N-O 3.09Å; S307-F457 PolarHBondContact O-N 2.98Å; F457-N496 WeakPolarHBondContact CE2-ND2 3.43Å; F457-N496 HydrophobicContact CZ-CB 4.31Å; F457-N496 WeakPolarHBondContact CZ-ND2 3.42Å
458	D	94.8	Very high	94.4	Very high	78 Å²	78	61.1 Å²	61.1	42%	0.417	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-58.9	155.6	171.8	-59.4	-80.5	0	0	0	112.3	T432 L433	T432-D458 WeakPolarHBondContact CA-OD1 3.4Å; T432-D458 WeakPolarHBondContact CB-OD1 2.99Å; L433-D458 WeakPolarHBondContact CB-OD1 3.34Å; L433-D458 PolarHBondContact N-OD1 2.76Å
459	P	93.3	Very high	94.2	Very high	20 Å²	20	56 Å²	56	13%	0.13	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-53.5	153.5	167.9	-17.7	27.4	0	0	0	112.2	I427 H428 Q431	I427-P459 HydrophobicContact CB-CG 4.25Å; I427-P459 HydrophobicContact CG2-CG 3.88Å; H428-P459 WeakPolarHBondContact O-CG 3.5Å; Q431-P459 VanDerWaalsContact O-CD 3.27Å; Q431-P459 WeakPolarHBondContact O-CD 3.42Å; Q431-P459 WeakPolarHBondContact O-CG 3.41Å
460	L	92	Very high	94	Very high	12 Å²	12	56.8 Å²	56.8	6%	0.063	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-72.6	148.9	174.4	-69.4	-171.8	0	0	0	111.9	S303 E304 R500 K503	S303-L460 PolarHBondContact OG-O 3.43Å; E304-L460 HydrophobicContact CG-CB 4.14Å; E304-L460 HydrophobicContact CG-CD1 3.62Å; E304-L460 HydrophobicContact CG-CG 3.66Å; E304-L460 PolarHBondContact O-N 2.95Å; L460-R500 HydrophobicContact CD1-CB 3.79Å; L460-R500 HydrophobicContact CD2-CB 4.08Å; L460-R500 HydrophobicContact CG-CB 4.21Å; L460-K503 HydrophobicContact CD2-CD 4.01Å
461	P	92.4	Very high	93.9	Very high	90 Å²	90	51.5 Å²	51.5	58%	0.584	27%	0.272	S	S	*	.	P	Polyproline II helix	trans	-47.2	144.2	166.7	-26.8	35.1	0	0	0	112	S463	P461-S463 PolarHBondContact O-N 2.87Å
462	V	95.1	Very high	93.9	Very high	81 Å²	81	50.3 Å²	50.3	49%	0.491	27%	0.267	S	S	.	.			trans	-79.2	114.8	176.1	-176.3	0	0	0	0	108.9	V302 P353	V302-V462 HydrophobicContact CB-CG1 4.38Å; V302-V462 HydrophobicContact CG2-CG1 3.86Å; P353-V462 HydrophobicContact CB-CG1 4.16Å; P353-V462 HydrophobicContact CG-CG1 4.28Å; P353-V462 HydrophobicContact CG-CG2 4.25Å
463	S	96.6	Very high	93.7	Very high	6 Å²	6	48 Å²	48	4%	0.042	26%	0.256	C	S	.	.			trans	-66.8	150.5	173.5	-51.6	0	0	0	0	110.6	V302 P461 I509	V302-S463 WeakPolarHBondContact O-CB 3.47Å; V302-S463 PolarHBondContact O-N 2.98Å; V302-S463 PolarHBondContact O-OG 3.25Å; V302-S463 VanDerWaalsContact O-OG 3.11Å; P461-S463 PolarHBondContact O-N 2.87Å; S463-I509 PolarHBondContact OG-N 3.25Å; S463-I509 PolarHBondContact OG-O 3.03Å
464	S	94.6	Very high	93.7	Very high	38 Å²	38	44.5 Å²	44.5	27%	0.266	24%	0.237	S	C	.	.			trans	-72.8	140.7	-178.7	-172.3	0	0	0	0	112.4	D466 S469 D508 Y510	S464-D466 PolarHBondContact OG-N 3.37Å; S464-D466 VanDerWaalsContact OG-N 3.17Å; S464-D466 PolarHBondContact OG-OD2 3.4Å; S464-S469 WeakPolarHBondContact O-CB 3.36Å; S464-S469 PolarHBondContact O-OG 3.41Å; S464-D508 PolarHBondContact N-OD1 3.08Å; S464-Y510 VanDerWaalsContact O-CE1 3.32Å; S464-Y510 WeakPolarHBondContact O-CE1 3.46Å; S464-Y510 PolarHBondContact O-OH 2.7Å
465	S	93.3	Very high	93.7	Very high	19 Å²	19	40.4 Å²	40.4	13%	0.133	22%	0.216	C	C	.	.			trans	-101.7	-3.4	172.3	55.3	0	0	0	0	112.8	E356 F472 Q473	E356-S465 PolarHBondContact OE2-OG 2.88Å; S465-F472 WeakPolarHBondContact O-CD1 3.19Å; S465-F472 WeakPolarHBondContact O-CE1 3.24Å; S465-Q473 PolarHBondContact O-NE2 2.97Å
466	D	89.3	Confident	93.9	Very high	76 Å²	76	39.7 Å²	39.7	41%	0.406	21%	0.212	S	C	.	.	S	Bend	trans	-71.5	169.9	-168.9	72.9	41.5	0	0	0	114.4	S464 R468 S469 Q473	S464-D466 PolarHBondContact OG-N 3.37Å; S464-D466 VanDerWaalsContact OG-N 3.17Å; S464-D466 PolarHBondContact OG-OD2 3.4Å; D466-R468 PolarHBondContact O-N 2.98Å; D466-R468 VanDerWaalsContact OD1-CA 3.25Å; D466-R468 WeakPolarHBondContact OD1-CA 3.17Å; D466-R468 VanDerWaalsContact OD1-CB 3.25Å; D466-R468 WeakPolarHBondContact OD1-CB 3.36Å; D466-R468 PolarHBondContact OD1-N 3.08Å; D466-S469 PolarHBondContact N-OG 3.2Å; D466-S469 PolarHBondContact O-N 3.42Å; D466-S469 VanDerWaalsContact O-N 3.17Å; D466-S469 PolarHBondContact O-OG 3.45Å; D466-S469 PolarHBondContact OD1-N 3.01Å; D466-Q473 VanDerWaalsContact C-NE2 3.32Å; D466-Q473 PolarHBondContact O-NE2 3.29Å
467	E	86.7	Confident	93.9	Very high	89 Å²	89	39.5 Å²	39.5	42%	0.416	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-4.7	-178.9	-59.7	-167	144.9	0	0	115.2	L556 L559	E467-L556 WeakPolarHBondContact O-CD1 3.46Å; E467-L559 HydrophobicContact CB-CD2 4.11Å; E467-L559 HydrophobicContact CB-CG 4.12Å; E467-L559 WeakPolarHBondContact OE2-CD2 3.41Å
468	R	89.6	Confident	94	Very high	191 Å²	191	37.4 Å²	37.4	72%	0.721	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.9	-18.7	177.4	-56	173	-178.9	174.3	1	112.2	D466 F470 L556 L559	D466-R468 PolarHBondContact O-N 2.98Å; D466-R468 VanDerWaalsContact OD1-CA 3.25Å; D466-R468 WeakPolarHBondContact OD1-CA 3.17Å; D466-R468 VanDerWaalsContact OD1-CB 3.25Å; D466-R468 WeakPolarHBondContact OD1-CB 3.36Å; D466-R468 PolarHBondContact OD1-N 3.08Å; R468-F470 PolarHBondContact O-N 3.38Å; R468-L556 WeakPolarHBondContact O-CD1 3.49Å; R468-L559 HydrophobicContact CG-CD1 3.99Å
469	S	93.3	Very high	94.1	Very high	5 Å²	5	33.8 Å²	33.8	4%	0.035	17%	0.174	C	C	.	.			trans	-68.4	106.5	-179.7	66.3	0	0	0	0	111.9	S464 D466 G471 F472 Q473	S464-S469 WeakPolarHBondContact O-CB 3.36Å; S464-S469 PolarHBondContact O-OG 3.41Å; D466-S469 PolarHBondContact N-OG 3.2Å; D466-S469 PolarHBondContact O-N 3.42Å; D466-S469 VanDerWaalsContact O-N 3.17Å; D466-S469 PolarHBondContact O-OG 3.45Å; D466-S469 PolarHBondContact OD1-N 3.01Å; S469-G471 PolarHBondContact O-N 3.23Å; S469-F472 WeakPolarHBondContact OG-CB 3.36Å; S469-Q473 WeakPolarHBondContact O-CG 3.49Å; S469-Q473 PolarHBondContact O-N 2.64Å; S469-Q473 VanDerWaalsContact O-N 3.11Å
470	F	95	Very high	94.1	Very high	26 Å²	26	34.4 Å²	34.4	11%	0.114	18%	0.176	C	C	.	.	H	α-helix	trans	-61.4	-49	-167.9	-174.6	-91.6	0	0	0	112.5	F277 R468 I474 I553 L556	F277-F470 AromaticContact CD1-CD1 3.97Å; F277-F470 HydrophobicContact CD1-CD1 3.97Å; F277-F470 HydrophobicContact CD1-CE1 4.48Å; F277-F470 AromaticContact CE1-CD1 3.98Å; F277-F470 HydrophobicContact CE1-CD1 3.98Å; F277-F470 HydrophobicContact CE1-CE1 4.07Å; R468-F470 PolarHBondContact O-N 3.38Å; F470-I474 HydrophobicContact CD1-CG1 4.15Å; F470-I474 HydrophobicContact CE1-CG1 3.82Å; F470-I474 HydrophobicContact CE2-CG1 4.23Å; F470-I474 HydrophobicContact CG-CG1 4.49Å; F470-I474 HydrophobicContact CZ-CD1 4.3Å; F470-I474 HydrophobicContact CZ-CG1 3.86Å; F470-I474 WeakPolarHBondContact O-CB 3.29Å; F470-I474 WeakPolarHBondContact O-CG1 3.31Å; F470-I474 PolarHBondContact O-N 3.36Å; F470-I553 HydrophobicContact CE2-CD1 4.43Å; F470-I553 HydrophobicContact CE2-CG1 3.95Å; F470-I553 HydrophobicContact CZ-CG1 4.19Å; F470-L556 HydrophobicContact CD2-CD2 4.08Å; F470-L556 HydrophobicContact CD2-CG 4.12Å
471	G	96.4	Very high	94.1	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-64	-50.1	-178.5	0	0	0	0	0	112.6	S469 Q473 I474 I475	S469-G471 PolarHBondContact O-N 3.23Å; G471-Q473 PolarHBondContact O-N 2.61Å; G471-I474 PolarHBondContact O-N 3.43Å; G471-I475 WeakPolarHBondContact O-CD1 3.38Å; G471-I475 VanDerWaalsContact O-CG1 3.23Å; G471-I475 WeakPolarHBondContact O-CG1 3.11Å; G471-I475 PolarHBondContact O-N 3.19Å
472	F	97.1	Very high	94.1	Very high	1 Å²	1	35 Å²	35	0%	0.004	17%	0.174	C	C	.	.	H	α-helix	trans	-58.6	-46.6	-179.7	-168.2	-91.3	0	0	0	111.9	I300 V302 S465 S469 I474 I475 K476 P490 Y510	I300-F472 HydrophobicContact CB-CD2 4.13Å; I300-F472 HydrophobicContact CB-CE2 3.74Å; I300-F472 HydrophobicContact CD1-CD2 4.05Å; I300-F472 HydrophobicContact CD1-CE2 3.91Å; I300-F472 HydrophobicContact CD1-CG 4.46Å; I300-F472 HydrophobicContact CD1-CZ 4.17Å; I300-F472 HydrophobicContact CG1-CE2 4.38Å; I300-F472 HydrophobicContact CG2-CD2 3.88Å; I300-F472 HydrophobicContact CG2-CE2 4Å; V302-F472 HydrophobicContact CG1-CD2 4.04Å; V302-F472 HydrophobicContact CG1-CE2 3.97Å; S465-F472 WeakPolarHBondContact O-CD1 3.19Å; S465-F472 WeakPolarHBondContact O-CE1 3.24Å; S469-F472 WeakPolarHBondContact OG-CB 3.36Å; F472-I474 PolarHBondContact O-N 3.05Å; F472-I475 PolarHBondContact O-N 2.92Å; F472-K476 HydrophobicContact CE1-CD 4.11Å; F472-K476 WeakPolarHBondContact O-CB 3.44Å; F472-K476 PolarHBondContact O-N 2.81Å; F472-P490 HydrophobicContact CE2-CB 4Å; F472-P490 HydrophobicContact CZ-CB 4.15Å; F472-Y510 HydrophobicContact CB-CD1 4.38Å; F472-Y510 HydrophobicContact CB-CE1 3.65Å; F472-Y510 HydrophobicContact CB-CE2 4.45Å; F472-Y510 HydrophobicContact CD2-CD1 4.06Å; F472-Y510 AromaticContact CD2-CE1 3.82Å; F472-Y510 HydrophobicContact CD2-CE1 3.82Å; F472-Y510 HydrophobicContact CG-CE1 4.23Å; F472-Y510 VanDerWaalsContact N-CE2 3.31Å; F472-Y510 PolarHBondContact N-OH 2.83Å
473	Q	95.4	Very high	94	Very high	12 Å²	12	32.5 Å²	32.5	6%	0.056	16%	0.156	C	C	.	.	H	α-helix	trans	-69.6	-31.8	-179.1	-61.6	-54.9	-28.8	0	0	112.6	W94 S465 D466 S469 G471 K477 L556	W94-Q473 HydrophobicContact CH2-CB 4.36Å; S465-Q473 PolarHBondContact O-NE2 2.97Å; D466-Q473 VanDerWaalsContact C-NE2 3.32Å; D466-Q473 PolarHBondContact O-NE2 3.29Å; S469-Q473 WeakPolarHBondContact O-CG 3.49Å; S469-Q473 PolarHBondContact O-N 2.64Å; S469-Q473 VanDerWaalsContact O-N 3.11Å; G471-Q473 PolarHBondContact O-N 2.61Å; Q473-K477 VanDerWaalsContact O-CB 3.22Å; Q473-K477 WeakPolarHBondContact O-CB 3.16Å; Q473-K477 PolarHBondContact O-N 3.04Å; Q473-L556 HydrophobicContact CB-CD1 4.02Å; Q473-L556 HydrophobicContact CB-CD2 3.82Å; Q473-L556 HydrophobicContact CG-CD1 4.01Å
474	I	96	Very high	93.7	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-69.9	-41.9	172.5	-71.8	-59.8	0	0	0	112.1	W94 F470 G471 F472 K477 T478 L547 N550 I553	W94-I474 HydrophobicContact CZ3-CD1 4.12Å; F470-I474 HydrophobicContact CD1-CG1 4.15Å; F470-I474 HydrophobicContact CE1-CG1 3.82Å; F470-I474 HydrophobicContact CE2-CG1 4.23Å; F470-I474 HydrophobicContact CG-CG1 4.49Å; F470-I474 HydrophobicContact CZ-CD1 4.3Å; F470-I474 HydrophobicContact CZ-CG1 3.86Å; F470-I474 WeakPolarHBondContact O-CB 3.29Å; F470-I474 WeakPolarHBondContact O-CG1 3.31Å; F470-I474 PolarHBondContact O-N 3.36Å; G471-I474 PolarHBondContact O-N 3.43Å; F472-I474 PolarHBondContact O-N 3.05Å; I474-K477 PolarHBondContact O-N 2.86Å; I474-T478 WeakPolarHBondContact O-CB 3.49Å; I474-T478 PolarHBondContact O-N 2.95Å; I474-T478 PolarHBondContact O-OG1 2.89Å; I474-L547 HydrophobicContact CG2-CD1 3.82Å; I474-N550 HydrophobicContact CD1-CB 4.42Å; I474-N550 VanDerWaalsContact CD1-O 3.26Å; I474-N550 WeakPolarHBondContact CD1-O 3.32Å; I474-N550 HydrophobicContact CG2-CB 4.15Å; I474-I553 HydrophobicContact CD1-CD1 3.59Å; I474-I553 HydrophobicContact CD1-CG1 4.06Å
475	I	97.7	Very high	93.3	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-63.7	-49.9	174.7	-63.2	157.3	0	0	0	109.5	L279 I300 G471 F472 K477 T478 V479 Y510 F512 F543 L547	L279-I475 HydrophobicContact CD1-CD1 3.9Å; L279-I475 HydrophobicContact CD2-CD1 4.47Å; L279-I475 HydrophobicContact CD2-CG1 4.32Å; I300-I475 HydrophobicContact CD1-CB 3.95Å; I300-I475 HydrophobicContact CD1-CG2 3.49Å; I300-I475 VanDerWaalsContact CD1-CG2 3.49Å; I300-I475 HydrophobicContact CG1-CG2 3.85Å; I300-I475 HydrophobicContact CG2-CD1 4.45Å; G471-I475 WeakPolarHBondContact O-CD1 3.38Å; G471-I475 VanDerWaalsContact O-CG1 3.23Å; G471-I475 WeakPolarHBondContact O-CG1 3.11Å; G471-I475 PolarHBondContact O-N 3.19Å; F472-I475 PolarHBondContact O-N 2.92Å; I475-K477 PolarHBondContact O-N 3.49Å; I475-T478 PolarHBondContact O-N 2.82Å; I475-T478 VanDerWaalsContact O-N 3.1Å; I475-V479 WeakPolarHBondContact O-CG2 3.4Å; I475-V479 PolarHBondContact O-N 2.86Å; I475-Y510 HydrophobicContact CD1-CD2 3.82Å; I475-Y510 HydrophobicContact CD1-CG 3.78Å; I475-F512 HydrophobicContact CG2-CB 4.37Å; I475-F512 HydrophobicContact CG2-CD1 3.84Å; I475-F512 HydrophobicContact CG2-CG 4.28Å; I475-F543 HydrophobicContact CG2-CZ 4.29Å; I475-L547 HydrophobicContact CG1-CD1 4.32Å
476	K	95.7	Very high	93.2	Very high	16 Å²	16	39.4 Å²	39.4	7%	0.07	20%	0.198	C	C	.	.	H	α-helix	trans	-56.2	-45.8	176.6	179.4	170.6	-178.1	-176.4	0	111.9	L89 I300 F472 V479 L480 V488	L89-K476 HydrophobicContact CD1-CB 4.46Å; L89-K476 HydrophobicContact CD1-CD 3.6Å; L89-K476 HydrophobicContact CD1-CG 3.67Å; I300-K476 HydrophobicContact CD1-CB 4.36Å; F472-K476 HydrophobicContact CE1-CD 4.11Å; F472-K476 WeakPolarHBondContact O-CB 3.44Å; F472-K476 PolarHBondContact O-N 2.81Å; K476-V479 PolarHBondContact O-N 3.36Å; K476-L480 HydrophobicContact CG-CD1 3.95Å; K476-L480 WeakPolarHBondContact O-CB 3.44Å; K476-L480 VanDerWaalsContact O-CG 3.3Å; K476-L480 WeakPolarHBondContact O-CG 3.4Å; K476-L480 PolarHBondContact O-N 2.81Å; K476-V488 HydrophobicContact CB-CB 4.5Å; K476-V488 HydrophobicContact CB-CG1 4.05Å; K476-V488 HydrophobicContact CD-CB 4.24Å; K476-V488 HydrophobicContact CD-CG1 4.38Å; K476-V488 HydrophobicContact CG-CB 3.82Å; K476-V488 HydrophobicContact CG-CG1 3.9Å; K476-V488 HydrophobicContact CG-CG2 4.06Å
477	K	93.9	Very high	93.3	Very high	26 Å²	26	35.9 Å²	35.9	11%	0.113	18%	0.179	C	C	.	.	H	α-helix	trans	-58.7	-49.4	173.6	-173.3	-164.5	178.6	-67.4	0	111.1	W94 Q473 I474 I475 V479 L480 D481 N550	W94-K477 HydrophobicContact CD2-CD 3.83Å; W94-K477 HydrophobicContact CE3-CD 3.74Å; W94-K477 HydrophobicContact CG-CD 4.48Å; W94-K477 HydrophobicContact CH2-CB 4.14Å; W94-K477 HydrophobicContact CH2-CD 4.1Å; W94-K477 HydrophobicContact CH2-CG 4.42Å; W94-K477 HydrophobicContact CZ2-CB 4.18Å; W94-K477 HydrophobicContact CZ2-CD 4.18Å; W94-K477 HydrophobicContact CZ2-CG 4.23Å; W94-K477 HydrophobicContact CZ3-CD 3.88Å; Q473-K477 VanDerWaalsContact O-CB 3.22Å; Q473-K477 WeakPolarHBondContact O-CB 3.16Å; Q473-K477 PolarHBondContact O-N 3.04Å; I474-K477 PolarHBondContact O-N 2.86Å; I475-K477 PolarHBondContact O-N 3.49Å; K477-V479 VanDerWaalsContact C-N 3.32Å; K477-V479 PolarHBondContact O-N 3.21Å; K477-L480 CarbonylContact O-C 3.6Å; K477-L480 PolarHBondContact O-N 3.49Å; K477-L480 VanDerWaalsContact O-N 3.07Å; K477-D481 IonicContact NZ-OD1 3.05Å; K477-D481 PolarHBondContact NZ-OD1 2.94Å; K477-D481 IonicContact NZ-OD2 2.74Å; K477-D481 PolarHBondContact NZ-OD2 2.8Å; K477-D481 PolarHBondContact O-N 3.03Å; K477-N550 PolarHBondContact NZ-OD1 3.39Å
478	T	96	Very high	93.6	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-62.3	-38.2	-176.9	-51.5	0	0	0	0	112.3	I474 I475 M482 F543 N546 L547 N550	I474-T478 WeakPolarHBondContact O-CB 3.49Å; I474-T478 PolarHBondContact O-N 2.95Å; I474-T478 PolarHBondContact O-OG1 2.89Å; I475-T478 PolarHBondContact O-N 2.82Å; I475-T478 VanDerWaalsContact O-N 3.1Å; T478-M482 PolarHBondContact O-N 2.91Å; T478-F543 HydrophobicContact CG2-CD2 3.59Å; T478-F543 HydrophobicContact CG2-CE2 3.6Å; T478-F543 HydrophobicContact CG2-CG 4.37Å; T478-F543 HydrophobicContact CG2-CZ 4.39Å; T478-N546 HydrophobicContact CG2-CB 3.76Å; T478-L547 HydrophobicContact CG2-CB 4.11Å; T478-L547 HydrophobicContact CG2-CD1 4.41Å; T478-N550 PolarHBondContact OG1-ND2 2.87Å
479	V	96.4	Very high	93.9	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.006	13%	0.125	C	C	.	.	H	α-helix	trans	-63.8	-45.3	171.8	175	0	0	0	0	111.4	A298 I475 K476 K477 M482 F483 L486 V488 F512 F543	A298-V479 HydrophobicContact CB-CG1 3.81Å; I475-V479 WeakPolarHBondContact O-CG2 3.4Å; I475-V479 PolarHBondContact O-N 2.86Å; K476-V479 PolarHBondContact O-N 3.36Å; K477-V479 VanDerWaalsContact C-N 3.32Å; K477-V479 PolarHBondContact O-N 3.21Å; V479-M482 PolarHBondContact O-N 3.25Å; V479-F483 HydrophobicContact CG1-CD2 4.41Å; V479-F483 PolarHBondContact O-N 2.9Å; V479-L486 HydrophobicContact CG1-CD1 3.84Å; V479-V488 HydrophobicContact CB-CG2 4.09Å; V479-V488 HydrophobicContact CG1-CG2 3.79Å; V479-F512 HydrophobicContact CG2-CD1 4.38Å; V479-F512 HydrophobicContact CG2-CE1 3.48Å; V479-F512 VanDerWaalsContact CG2-CE1 3.48Å; V479-F512 HydrophobicContact CG2-CZ 3.63Å; V479-F543 HydrophobicContact CG2-CE2 3.91Å
480	L	93.6	Very high	94	Very high	33 Å²	33	22.3 Å²	22.3	17%	0.173	12%	0.123	C	C	.	.	H	α-helix	trans	-73.2	-30	-178	-69	171.2	0	0	0	113.7	L89 K476 K477 M482 P484 L486 V488	L89-L480 HydrophobicContact CD1-CD1 4.24Å; L89-L480 HydrophobicContact CD2-CD1 4.25Å; K476-L480 HydrophobicContact CG-CD1 3.95Å; K476-L480 WeakPolarHBondContact O-CB 3.44Å; K476-L480 VanDerWaalsContact O-CG 3.3Å; K476-L480 WeakPolarHBondContact O-CG 3.4Å; K476-L480 PolarHBondContact O-N 2.81Å; K477-L480 CarbonylContact O-C 3.6Å; K477-L480 PolarHBondContact O-N 3.49Å; K477-L480 VanDerWaalsContact O-N 3.07Å; L480-M482 PolarHBondContact O-N 3.11Å; L480-P484 WeakPolarHBondContact O-CA 3.18Å; L480-P484 WeakPolarHBondContact O-CG 3.07Å; L480-L486 WeakPolarHBondContact CD2-O 3.41Å; L480-V488 HydrophobicContact CD1-CG2 4.48Å; L480-V488 HydrophobicContact CD2-CG2 4.14Å; L480-V488 HydrophobicContact CG-CG2 4.01Å
481	D	91.7	Very high	94	Very high	80 Å²	80	21.1 Å²	21.1	43%	0.428	12%	0.118	S	C	.	.	H	α-helix	trans	-60.5	-35.8	172.1	-68.9	-39.5	0	0	0	111.1	K477 N550	K477-D481 IonicContact NZ-OD1 3.05Å; K477-D481 PolarHBondContact NZ-OD1 2.94Å; K477-D481 IonicContact NZ-OD2 2.74Å; K477-D481 PolarHBondContact NZ-OD2 2.8Å; K477-D481 PolarHBondContact O-N 3.03Å; D481-N550 PolarHBondContact OD2-ND2 2.89Å
482	M	93.1	Very high	93.8	Very high	36 Å²	36	21.7 Å²	21.7	18%	0.177	12%	0.121	C	C	.	.	H	α-helix	trans	-90.1	-38.2	-179.1	-69.4	173.4	59.7	0	0	113.3	T478 V479 L480 E539 V542 F543	T478-M482 PolarHBondContact O-N 2.91Å; V479-M482 PolarHBondContact O-N 3.25Å; L480-M482 PolarHBondContact O-N 3.11Å; M482-E539 HydrophobicContact CE-CB 4.3Å; M482-E539 VanDerWaalsContact CE-O 3.28Å; M482-E539 WeakPolarHBondContact CE-O 3.42Å; M482-V542 HydrophobicContact CE-CB 4.16Å; M482-V542 HydrophobicContact CE-CG1 3.95Å; M482-V542 HydrophobicContact CG-CG1 4.48Å; M482-V542 HydrophobicContact SD-CG1 4.17Å; M482-F543 HydrophobicContact CE-CB 4.05Å; M482-F543 WeakPolarHBondContact SD-CA 3.46Å; M482-F543 HydrophobicContact SD-CB 3.75Å; M482-F543 HydrophobicContact SD-CD2 4.12Å; M482-F543 HydrophobicContact SD-CG 4.45Å
483	F	93.3	Very high	93.6	Very high	27 Å²	27	22.1 Å²	22.1	12%	0.118	12%	0.124	C	C	.	.			trans	-132.6	72.4	-171.8	-49	-66.3	0	0	0	111.2	I285 V479 T485 L486 W516 E539	I285-F483 HydrophobicContact CD1-CD2 4.05Å; I285-F483 HydrophobicContact CD1-CE2 3.67Å; I285-F483 HydrophobicContact CD1-CZ 4.36Å; V479-F483 HydrophobicContact CG1-CD2 4.41Å; V479-F483 PolarHBondContact O-N 2.9Å; F483-T485 PolarHBondContact O-N 3.18Å; F483-L486 HydrophobicContact CB-CB 4.48Å; F483-L486 HydrophobicContact CB-CD1 3.51Å; F483-L486 HydrophobicContact CB-CG 3.69Å; F483-L486 HydrophobicContact CD2-CD1 3.86Å; F483-L486 HydrophobicContact CG-CD1 3.93Å; F483-L486 PolarHBondContact O-N 3.29Å; F483-L486 VanDerWaalsContact O-N 3.11Å; F483-W516 HydrophobicContact CD1-CZ2 4.01Å; F483-W516 AromaticContact CE1-CZ2 3.83Å; F483-W516 HydrophobicContact CE1-CZ2 3.83Å; F483-W516 HydrophobicContact CG-CZ2 4.46Å; F483-W516 HydrophobicContact CZ-CZ2 4.1Å; F483-E539 HydrophobicContact CE1-CG 4.46Å; F483-E539 HydrophobicContact CZ-CB 4.27Å; F483-E539 HydrophobicContact CZ-CG 4.2Å
484	P	89.1	Confident	93.1	Very high	92 Å²	92	24.7 Å²	24.7	60%	0.597	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-6.2	-169.3	-23.9	34	0	0	0	116.7	L480	L480-P484 WeakPolarHBondContact O-CA 3.18Å; L480-P484 WeakPolarHBondContact O-CG 3.07Å
485	T	86.9	Confident	92.7	Very high	113 Å²	113	26.2 Å²	26.2	69%	0.693	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.9	-8.4	-178.7	54.8	0	0	0	0	114.1	K364 F483	K364-T485 PolarHBondContact NZ-O 3.21Å; F483-T485 PolarHBondContact O-N 3.18Å
486	L	91.4	Very high	92.4	Very high	4 Å²	4	27.7 Å²	27.7	2%	0.021	16%	0.161	C	C	.	.			trans	-71.3	146.5	174	-67.6	-176.6	0	0	0	110.8	I285 P296 A298 V479 L480 F483 W516	I285-L486 HydrophobicContact CD1-CD1 4.17Å; I285-L486 HydrophobicContact CG1-CD1 4.46Å; I285-L486 HydrophobicContact CG2-CD1 3.9Å; I285-L486 HydrophobicContact CG2-CD2 4.14Å; P296-L486 HydrophobicContact CB-CD2 3.57Å; P296-L486 HydrophobicContact CG-CD2 3.69Å; P296-L486 WeakPolarHBondContact O-CD2 3.31Å; A298-L486 HydrophobicContact CB-CD1 4.4Å; V479-L486 HydrophobicContact CG1-CD1 3.84Å; L480-L486 WeakPolarHBondContact CD2-O 3.41Å; F483-L486 HydrophobicContact CB-CB 4.48Å; F483-L486 HydrophobicContact CB-CD1 3.51Å; F483-L486 HydrophobicContact CB-CG 3.69Å; F483-L486 HydrophobicContact CD2-CD1 3.86Å; F483-L486 HydrophobicContact CG-CD1 3.93Å; F483-L486 PolarHBondContact O-N 3.29Å; F483-L486 VanDerWaalsContact O-N 3.11Å; L486-W516 HydrophobicContact CD2-CH2 4.18Å
487	T	91	Very high	92.3	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.006	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	134.6	157.4	-62.9	0	0	0	0	108.4	A297 A298 L361 H363 K364	A297-T487 CarbonylContact C-O 3.44Å; A297-T487 VanDerWaalsContact CA-O 3.27Å; A297-T487 WeakPolarHBondContact CA-O 3.36Å; A297-T487 WeakPolarHBondContact CB-O 3.04Å; A298-T487 PolarHBondContact N-O 2.88Å; L361-T487 HydrophobicContact CD2-CG2 3.86Å; H363-T487 WeakPolarHBondContact NE2-CG2 3.42Å; H363-T487 PolarHBondContact NE2-OG1 3.16Å; K364-T487 WeakPolarHBondContact CE-OG1 3.22Å; K364-T487 WeakPolarHBondContact CG-OG1 3.39Å
488	V	94.1	Very high	92.3	Very high	1 Å²	1	26 Å²	26	1%	0.006	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	128.3	171.6	-173.4	0	0	0	0	108.6	A298 I300 K476 V479 L480	A298-V488 HydrophobicContact CB-CG2 4.36Å; A298-V488 WeakPolarHBondContact O-CA 3.36Å; I300-V488 HydrophobicContact CD1-CG1 3.5Å; I300-V488 VanDerWaalsContact CD1-CG1 3.5Å; I300-V488 HydrophobicContact CG1-CG1 3.99Å; K476-V488 HydrophobicContact CB-CB 4.5Å; K476-V488 HydrophobicContact CB-CG1 4.05Å; K476-V488 HydrophobicContact CD-CB 4.24Å; K476-V488 HydrophobicContact CD-CG1 4.38Å; K476-V488 HydrophobicContact CG-CB 3.82Å; K476-V488 HydrophobicContact CG-CG1 3.9Å; K476-V488 HydrophobicContact CG-CG2 4.06Å; V479-V488 HydrophobicContact CB-CG2 4.09Å; V479-V488 HydrophobicContact CG1-CG2 3.79Å; L480-V488 HydrophobicContact CD1-CG2 4.48Å; L480-V488 HydrophobicContact CD2-CG2 4.14Å; L480-V488 HydrophobicContact CG-CG2 4.01Å
489	A	94.5	Very high	92.3	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	152.8	-179.4	0	0	0	0	0	111.3	A298 L299 I300 H360 L361	A298-A489 PolarHBondContact O-N 3.15Å; L299-A489 WeakPolarHBondContact CA-O 3.49Å; L299-A489 HydrophobicContact CD2-CB 3.91Å; I300-A489 PolarHBondContact N-O 3.47Å; H360-A489 HydrophobicContact CB-CB 3.6Å; L361-A489 HydrophobicContact CD2-CB 4.2Å; L361-A489 HydrophobicContact CG-CB 4.18Å
490	P	95.8	Very high	92.1	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	154.2	165.8	31.1	-34.8	0	0	0	110.7	I300 V302 E356 T357 F472	I300-P490 CarbonylContact O-C 3.59Å; I300-P490 WeakPolarHBondContact O-CA 3.47Å; V302-P490 HydrophobicContact CG1-CB 3.96Å; V302-P490 HydrophobicContact CG2-CB 4.22Å; E356-P490 HydrophobicContact CB-CG 3.53Å; E356-P490 WeakPolarHBondContact OE2-CG 3.37Å; T357-P490 WeakPolarHBondContact CA-O 3.44Å; T357-P490 WeakPolarHBondContact CB-O 3.44Å; T357-P490 PolarHBondContact OG1-O 3.02Å; F472-P490 HydrophobicContact CE2-CB 4Å; F472-P490 HydrophobicContact CZ-CB 4.15Å
491	G	94.6	Very high	92.3	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.01	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	177.5	176.6	0	0	0	0	0	113	I300 G301 V302 T357	I300-G491 PolarHBondContact O-N 3.06Å; G301-G491 CarbonylContact C-O 3.34Å; G301-G491 WeakPolarHBondContact CA-O 3.01Å; V302-G491 WeakPolarHBondContact CG2-O 3.42Å; V302-G491 PolarHBondContact N-O 2.96Å; T357-G491 WeakPolarHBondContact OG1-CA 3.18Å
492	I	92.8	Very high	92.5	Very high	11 Å²	11	23 Å²	23	6%	0.056	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	132.3	174	-170.9	168	0	0	0	109.6	K305 P353 E354 L396	K305-I492 HydrophobicContact CG-CD1 3.98Å; K305-I492 HydrophobicContact CG-CG1 4.33Å; P353-I492 HydrophobicContact CG-CB 4.28Å; E354-I492 HydrophobicContact CB-CG2 4.3Å; L396-I492 HydrophobicContact CD2-CG2 3.88Å
493	C	91.9	Very high	92.6	Very high	11 Å²	11	26.5 Å²	26.5	7%	0.074	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	129.3	168.8	-165.3	0	0	0	0	109.7	L283 S303 E304 K305	L283-C493 HydrophobicContact CD2-CB 4.47Å; S303-C493 PolarHBondContact O-N 3.16Å; E304-C493 WeakPolarHBondContact CA-O 3.26Å; E304-C493 HydrophobicContact CB-CB 4.13Å; K305-C493 PolarHBondContact N-O 3.01Å
494	I	86.6	Confident	92.6	Very high	65 Å²	65	29.1 Å²	29.1	33%	0.333	17%	0.165	S	C	.	.	S	Bend	trans	-81.1	-31.1	176	-56.1	178.5	0	0	0	110.5	K305 A395 L396	K305-I494 HydrophobicContact CD-CB 4.45Å; K305-I494 HydrophobicContact CD-CG2 4.12Å; A395-I494 HydrophobicContact CB-CD1 4.27Å; A395-I494 HydrophobicContact CB-CG2 4.39Å; L396-I494 HydrophobicContact CD2-CD1 3.77Å; L396-I494 HydrophobicContact CD2-CG1 4.03Å; L396-I494 HydrophobicContact CG-CD1 4.13Å
495	G	85.9	Confident	93	Very high	32 Å²	32	25 Å²	25	33%	0.33	14%	0.138	S	C	.	.	S	Bend	trans	-74.6	-175.1	168.4	0	0	0	0	0	112.4
496	N	91.4	Very high	93.5	Very high	31 Å²	31	20 Å²	20	17%	0.166	11%	0.107	C	C	.	.			trans	-121.1	161.7	171	-64.2	106.6	0	0	0	107.7	E304 K305 R426 F457	E304-N496 PolarHBondContact OE1-ND2 3.47Å; K305-N496 PolarHBondContact O-ND2 2.73Å; R426-N496 PolarHBondContact NH1-OD1 3.02Å; F457-N496 WeakPolarHBondContact CE2-ND2 3.43Å; F457-N496 HydrophobicContact CZ-CB 4.31Å; F457-N496 WeakPolarHBondContact CZ-ND2 3.42Å
497	T	93.9	Very high	93.7	Very high	4 Å²	4	26.5 Å²	26.5	3%	0.025	14%	0.142	C	C	.	.			trans	-149	160.9	-172.5	51.7	0	0	0	0	110.1	D280 E281 E304 S499 R500 R511	D280-T497 VanDerWaalsContact OD2-CB 3.32Å; D280-T497 WeakPolarHBondContact OD2-CB 3.38Å; D280-T497 PolarHBondContact OD2-OG1 2.99Å; E281-T497 HydrophobicContact CG-CG2 3.48Å; E281-T497 VanDerWaalsContact CG-CG2 3.48Å; E304-T497 PolarHBondContact OE2-N 2.75Å; E304-T497 PolarHBondContact OE2-OG1 3.13Å; T497-S499 PolarHBondContact O-N 2.92Å; T497-S499 VanDerWaalsContact O-N 3.15Å; T497-S499 PolarHBondContact OG1-OG 2.8Å; T497-R500 WeakPolarHBondContact O-CB 3.5Å; T497-R500 WeakPolarHBondContact O-CD 3.19Å; T497-R500 WeakPolarHBondContact O-CG 3.35Å; T497-R500 PolarHBondContact O-N 3.39Å; T497-R500 VanDerWaalsContact O-N 3.14Å; T497-R511 HydrophobicContact CG2-CG 4.44Å; T497-R511 PolarHBondContact OG1-NE 2.99Å; T497-R511 PolarHBondContact OG1-NH2 3.49Å; T497-R511 VanDerWaalsContact OG1-NH2 3.16Å
498	D	95.2	Very high	94	Very high	3 Å²	3	28.3 Å²	28.3	2%	0.016	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-64.5	-25.9	-171.2	-125.8	-5.2	0	0	0	113.6	E253 G257 A261 D280 R500 H501 F502	E253-D498 HydrophobicContact CG-CB 3.7Å; E253-D498 PolarHBondContact OE1-N 2.75Å; G257-D498 VanDerWaalsContact CA-OD1 3.23Å; G257-D498 WeakPolarHBondContact CA-OD1 3.49Å; A261-D498 HydrophobicContact CB-CB 4.06Å; A261-D498 WeakPolarHBondContact CB-OD1 3.39Å; A261-D498 WeakPolarHBondContact CB-OD2 3.45Å; D280-D498 PolarHBondContact OD2-N 3.06Å; D498-R500 PolarHBondContact O-N 3.48Å; D498-H501 PolarHBondContact O-CD2 3.36Å; D498-H501 PolarHBondContact O-N 2.75Å; D498-H501 VanDerWaalsContact O-N 3.11Å; D498-H501 IonicContact OD1-CD2 3.35Å; D498-H501 PolarHBondContact OD1-CD2 3.22Å; D498-H501 IonicContact OD1-NE2 3.69Å; D498-H501 PolarHBondContact OD1-NE2 3.39Å; D498-H501 VanDerWaalsContact OD1-NE2 3.13Å; D498-F502 WeakPolarHBondContact O-CD2 3.11Å
499	S	94.7	Very high	94.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-55.8	-17.8	174.3	53.5	0	0	0	0	114.8	D280 T497 H501 F502 R511	D280-S499 WeakPolarHBondContact OD2-CA 3.16Å; D280-S499 WeakPolarHBondContact OD2-CB 3.34Å; D280-S499 PolarHBondContact OD2-N 3.48Å; D280-S499 PolarHBondContact OD2-OG 2.87Å; T497-S499 PolarHBondContact O-N 2.92Å; T497-S499 VanDerWaalsContact O-N 3.15Å; T497-S499 PolarHBondContact OG1-OG 2.8Å; S499-H501 PolarHBondContact O-N 3.37Å; S499-F502 WeakPolarHBondContact O-CB 3.37Å; S499-F502 PolarHBondContact O-N 2.98Å; S499-R511 VanDerWaalsContact OG-CZ 3.32Å; S499-R511 PolarHBondContact OG-NH2 3.13Å
500	R	93.3	Very high	94.4	Very high	27 Å²	27	28.6 Å²	28.6	10%	0.102	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-59.8	-24.8	174.4	74.1	-161.4	-179.8	91.7	8.5	114.3	R256 E304 L460 T497 D498 F502	R256-R500 PolarHBondContact O-NH2 2.8Å; E304-R500 WeakPolarHBondContact OE1-CB 3.15Å; E304-R500 WeakPolarHBondContact OE1-CD 3.33Å; L460-R500 HydrophobicContact CD1-CB 3.79Å; L460-R500 HydrophobicContact CD2-CB 4.08Å; L460-R500 HydrophobicContact CG-CB 4.21Å; T497-R500 WeakPolarHBondContact O-CB 3.5Å; T497-R500 WeakPolarHBondContact O-CD 3.19Å; T497-R500 WeakPolarHBondContact O-CG 3.35Å; T497-R500 PolarHBondContact O-N 3.39Å; T497-R500 VanDerWaalsContact O-N 3.14Å; D498-R500 PolarHBondContact O-N 3.48Å; R500-F502 VanDerWaalsContact C-N 3.32Å
501	H	96.3	Very high	94.5	Very high	24 Å²	24	28.6 Å²	28.6	11%	0.111	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-77.8	-16.9	173.3	-49.6	-68.2	0	0	0	112.8	R256 K262 V265 D498 S499	R256-H501 PolarHBondContact O-CE1 2.84Å; R256-H501 VanDerWaalsContact O-CE1 3.26Å; R256-H501 PolarHBondContact O-NE2 3.11Å; K262-H501 WeakPolarHBondContact CE-ND1 3.46Å; K262-H501 HydrophobicContact CG-CB 4.25Å; K262-H501 WeakPolarHBondContact CG-ND1 3.44Å; V265-H501 HydrophobicContact CG2-CB 4Å; V265-H501 WeakPolarHBondContact CG2-O 3.19Å; D498-H501 PolarHBondContact O-CD2 3.36Å; D498-H501 PolarHBondContact O-N 2.75Å; D498-H501 VanDerWaalsContact O-N 3.11Å; D498-H501 IonicContact OD1-CD2 3.35Å; D498-H501 PolarHBondContact OD1-CD2 3.22Å; D498-H501 IonicContact OD1-NE2 3.69Å; D498-H501 PolarHBondContact OD1-NE2 3.39Å; D498-H501 VanDerWaalsContact OD1-NE2 3.13Å; S499-H501 PolarHBondContact O-N 3.37Å
502	F	96.9	Very high	94.6	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-93.3	1.5	-171.1	-66.4	-104.6	0	0	0	114.5	L182 L184 A261 I264 V265 M268 V278 D498 S499 R500 D504 L505 S506	L182-F502 HydrophobicContact CD2-CD1 3.31Å; L182-F502 HydrophobicContact CD2-CE1 3.33Å; L182-F502 HydrophobicContact CD2-CG 4.21Å; L182-F502 HydrophobicContact CD2-CZ 4.21Å; L184-F502 HydrophobicContact CD1-CD2 3.71Å; L184-F502 HydrophobicContact CD1-CE2 3.59Å; L184-F502 HydrophobicContact CD1-CG 4.19Å; L184-F502 HydrophobicContact CD1-CZ 4.05Å; L184-F502 HydrophobicContact CD2-CE1 4.16Å; L184-F502 HydrophobicContact CD2-CE2 3.97Å; L184-F502 HydrophobicContact CD2-CZ 3.64Å; L184-F502 HydrophobicContact CG-CE2 4.45Å; L184-F502 HydrophobicContact CG-CZ 4.47Å; A261-F502 HydrophobicContact CB-CE2 3.66Å; A261-F502 HydrophobicContact CB-CZ 4.16Å; I264-F502 HydrophobicContact CB-CZ 4.24Å; I264-F502 HydrophobicContact CG2-CE1 3.88Å; I264-F502 HydrophobicContact CG2-CZ 3.9Å; V265-F502 HydrophobicContact CG2-CB 4.36Å; V265-F502 HydrophobicContact CG2-CD1 3.49Å; V265-F502 VanDerWaalsContact CG2-CD1 3.49Å; V265-F502 HydrophobicContact CG2-CD2 3.62Å; V265-F502 HydrophobicContact CG2-CE1 3.5Å; V265-F502 VanDerWaalsContact CG2-CE1 3.5Å; V265-F502 HydrophobicContact CG2-CE2 3.68Å; V265-F502 HydrophobicContact CG2-CG 3.54Å; V265-F502 HydrophobicContact CG2-CZ 3.6Å; M268-F502 HydrophobicContact SD-CE1 4.12Å; V278-F502 HydrophobicContact CG2-CB 4.22Å; D498-F502 WeakPolarHBondContact O-CD2 3.11Å; S499-F502 WeakPolarHBondContact O-CB 3.37Å; S499-F502 PolarHBondContact O-N 2.98Å; R500-F502 VanDerWaalsContact C-N 3.32Å; F502-D504 PolarHBondContact O-N 3.31Å; F502-L505 HydrophobicContact CD1-CD1 3.77Å; F502-L505 HydrophobicContact CE1-CD1 4.42Å; F502-L505 WeakPolarHBondContact O-CB 3.5Å; F502-L505 PolarHBondContact O-N 3.31Å; F502-S506 PolarHBondContact O-N 3.4Å
503	K	94.2	Very high	94.6	Very high	110 Å²	110	28.3 Å²	28.3	48%	0.478	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-14.9	-178.9	71.7	178.8	-172.6	177.4	0	116.7	L460 I509	L460-K503 HydrophobicContact CD2-CD 4.01Å; K503-I509 HydrophobicContact CB-CD1 4.25Å
504	D	94.9	Very high	94.5	Very high	82 Å²	82	27.9 Å²	27.9	44%	0.439	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-7.6	175.9	-54.6	-36.4	0	0	0	112.9	K269 K274 F502	K269-D504 WeakPolarHBondContact CE-OD2 3.32Å; K269-D504 IonicContact NZ-OD2 3.19Å; K269-D504 PolarHBondContact NZ-OD2 3.49Å; K274-D504 PolarHBondContact NZ-O 3.28Å; F502-D504 PolarHBondContact O-N 3.31Å
505	L	97.4	Very high	94.9	Very high	4 Å²	4	24.9 Å²	24.9	2%	0.021	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103	-31	-178.6	-65.4	172	0	0	0	112.4	V265 M268 K269 V273 L275 F502	V265-L505 HydrophobicContact CB-CD1 4.39Å; V265-L505 HydrophobicContact CG1-CD1 4.15Å; V265-L505 HydrophobicContact CG2-CD1 4.24Å; M268-L505 HydrophobicContact CB-CD1 3.89Å; M268-L505 HydrophobicContact CB-CD2 4.32Å; M268-L505 HydrophobicContact SD-CD1 4.28Å; K269-L505 HydrophobicContact CG-CD2 3.86Å; K269-L505 HydrophobicContact CG-CG 4.49Å; V273-L505 VanDerWaalsContact O-CD2 3.26Å; V273-L505 WeakPolarHBondContact O-CD2 3.44Å; L275-L505 HydrophobicContact CD1-CB 3.84Å; L275-L505 HydrophobicContact CD1-CD1 4.49Å; L275-L505 HydrophobicContact CG-CB 4.33Å; L275-L505 PolarHBondContact N-O 3.4Å; F502-L505 HydrophobicContact CD1-CD1 3.77Å; F502-L505 HydrophobicContact CE1-CD1 4.42Å; F502-L505 WeakPolarHBondContact O-CB 3.5Å; F502-L505 PolarHBondContact O-N 3.31Å
506	S	97.3	Very high	95.3	Very high	8 Å²	8	26.2 Å²	26.2	6%	0.056	13%	0.129	C	C	.	.			trans	-141.4	153.5	168.5	-155.2	0	0	0	0	111.7	L275 F502 D508	L275-S506 WeakPolarHBondContact O-CB 3.48Å; L275-S506 PolarHBondContact O-OG 3Å; F502-S506 PolarHBondContact O-N 3.4Å; S506-D508 PolarHBondContact OG-N 3.11Å; S506-D508 PolarHBondContact OG-O 2.86Å
507	N	95.9	Very high	95.4	Very high	141 Å²	141	25.8 Å²	25.8	75%	0.754	13%	0.126	S	C	*	.	S	Bend	trans	-87.4	-21.1	166.4	-63.9	-16.5	0	0	0	111.9
508	D	97.5	Very high	95.4	Very high	39 Å²	39	30.7 Å²	30.7	21%	0.209	15%	0.147	C	C	.	.			trans	-104.6	103.8	-176	-71.7	-40.1	0	0	0	109.1	F277 V278 S464 S506 Y510	F277-D508 CarbonylContact C-O 3.58Å; F277-D508 WeakPolarHBondContact CA-O 3.48Å; F277-D508 HydrophobicContact CB-CB 4.13Å; V278-D508 PolarHBondContact N-O 2.96Å; S464-D508 PolarHBondContact N-OD1 3.08Å; S506-D508 PolarHBondContact OG-N 3.11Å; S506-D508 PolarHBondContact OG-O 2.86Å; D508-Y510 HydrophobicContact CB-CE2 3.78Å
509	I	98	Very high	95.2	Very high	7 Å²	7	35.2 Å²	35.2	4%	0.036	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	109.1	-173	-59.8	-173.1	0	0	0	109.7	V278 S463 K503 R511	V278-I509 HydrophobicContact CB-CB 4.5Å; V278-I509 HydrophobicContact CB-CG1 4.16Å; V278-I509 HydrophobicContact CB-CG2 4.26Å; V278-I509 HydrophobicContact CG2-CG1 4.19Å; S463-I509 PolarHBondContact OG-N 3.25Å; S463-I509 PolarHBondContact OG-O 3.03Å; K503-I509 HydrophobicContact CB-CD1 4.25Å; I509-R511 PolarHBondContact O-NH1 3.18Å
510	Y	98.4	Very high	94.9	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	146.6	-173.4	-55	-69.5	0	0	0	112.2	F277 V278 L279 D280 I300 G301 V302 S464 F472 I475 D508	F277-Y510 HydrophobicContact CB-CD2 4.08Å; F277-Y510 HydrophobicContact CB-CE2 3.88Å; F277-Y510 HydrophobicContact CD2-CD2 4.26Å; F277-Y510 HydrophobicContact CG-CD2 4.5Å; V278-Y510 PolarHBondContact O-N 2.63Å; L279-Y510 CarbonylContact C-O 3.59Å; L279-Y510 WeakPolarHBondContact CA-O 3.48Å; D280-Y510 PolarHBondContact N-O 2.84Å; I300-Y510 HydrophobicContact CG2-CD1 3.9Å; I300-Y510 HydrophobicContact CG2-CG 4.21Å; G301-Y510 CarbonylContact O-C 3.56Å; G301-Y510 WeakPolarHBondContact O-CA 3.37Å; V302-Y510 HydrophobicContact CG1-CD1 4.21Å; V302-Y510 HydrophobicContact CG1-CE1 4.19Å; S464-Y510 VanDerWaalsContact O-CE1 3.32Å; S464-Y510 WeakPolarHBondContact O-CE1 3.46Å; S464-Y510 PolarHBondContact O-OH 2.7Å; F472-Y510 HydrophobicContact CB-CD1 4.38Å; F472-Y510 HydrophobicContact CB-CE1 3.65Å; F472-Y510 HydrophobicContact CB-CE2 4.45Å; F472-Y510 HydrophobicContact CD2-CD1 4.06Å; F472-Y510 AromaticContact CD2-CE1 3.82Å; F472-Y510 HydrophobicContact CD2-CE1 3.82Å; F472-Y510 HydrophobicContact CG-CE1 4.23Å; F472-Y510 VanDerWaalsContact N-CE2 3.31Å; F472-Y510 PolarHBondContact N-OH 2.83Å; I475-Y510 HydrophobicContact CD1-CD2 3.82Å; I475-Y510 HydrophobicContact CD1-CG 3.78Å; D508-Y510 HydrophobicContact CB-CE2 3.78Å
511	R	97.4	Very high	94.8	Very high	1 Å²	1	36.6 Å²	36.6	0%	0.004	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	102.1	-179.5	-77	163.5	-172.3	62.2	15.3	109.8	D280 E281 G301 E304 T497 S499 I509	D280-R511 HydrophobicContact CB-CG 4.46Å; D280-R511 CarbonylContact O-C 3.52Å; D280-R511 WeakPolarHBondContact O-CA 3.08Å; E281-R511 CarbonylContact O-C 3.47Å; E281-R511 WeakPolarHBondContact O-CA 3.23Å; E281-R511 WeakPolarHBondContact O-CB 3.1Å; E281-R511 VanDerWaalsContact O-CG 3.29Å; E281-R511 WeakPolarHBondContact O-CG 3.12Å; G301-R511 PolarHBondContact N-O 2.37Å; G301-R511 PolarHBondContact O-N 3.12Å; E304-R511 IonicContact OE2-CZ 3.75Å; E304-R511 VanDerWaalsContact OE2-CZ 3.27Å; E304-R511 IonicContact OE2-NE 3.91Å; E304-R511 PolarHBondContact OE2-NE 3.03Å; E304-R511 IonicContact OE2-NH2 3.98Å; E304-R511 PolarHBondContact OE2-NH2 3.32Å; T497-R511 HydrophobicContact CG2-CG 4.44Å; T497-R511 PolarHBondContact OG1-NE 2.99Å; T497-R511 PolarHBondContact OG1-NH2 3.49Å; T497-R511 VanDerWaalsContact OG1-NH2 3.16Å; S499-R511 VanDerWaalsContact OG-CZ 3.32Å; S499-R511 PolarHBondContact OG-NH2 3.13Å; I509-R511 PolarHBondContact O-NH1 3.18Å
512	F	97.6	Very high	94.3	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.215	C	C	.	.			trans	-155.8	107.6	179.9	-179.1	-106.9	0	0	0	112.8	L279 D280 E281 L283 I285 A298 L299 I300 I475 V479 P514 F543	L279-F512 HydrophobicContact CD1-CB 4Å; D280-F512 PolarHBondContact O-N 2.94Å; E281-F512 PolarHBondContact O-N 2.96Å; L283-F512 CarbonylContact O-C 3.6Å; L283-F512 WeakPolarHBondContact O-CA 3.44Å; I285-F512 HydrophobicContact CG1-CE2 4.18Å; I285-F512 HydrophobicContact CG1-CZ 3.96Å; A298-F512 HydrophobicContact CB-CE2 3.95Å; A298-F512 HydrophobicContact CB-CZ 4.19Å; L299-F512 WeakPolarHBondContact O-CD2 3.49Å; I300-F512 HydrophobicContact CG1-CB 4.44Å; I300-F512 HydrophobicContact CG1-CD2 4.48Å; I300-F512 HydrophobicContact CG1-CG 4.41Å; I300-F512 HydrophobicContact CG2-CB 4.49Å; I475-F512 HydrophobicContact CG2-CB 4.37Å; I475-F512 HydrophobicContact CG2-CD1 3.84Å; I475-F512 HydrophobicContact CG2-CG 4.28Å; V479-F512 HydrophobicContact CG2-CD1 4.38Å; V479-F512 HydrophobicContact CG2-CE1 3.48Å; V479-F512 VanDerWaalsContact CG2-CE1 3.48Å; V479-F512 HydrophobicContact CG2-CZ 3.63Å; F512-P514 HydrophobicContact CE1-CB 3.97Å; F512-P514 HydrophobicContact CZ-CB 4.24Å; F512-F543 HydrophobicContact CD1-CE1 4.28Å; F512-F543 HydrophobicContact CD1-CE2 4.2Å; F512-F543 AromaticContact CD1-CZ 3.75Å; F512-F543 HydrophobicContact CD1-CZ 3.75Å; F512-F543 HydrophobicContact CE1-CD2 4.38Å; F512-F543 HydrophobicContact CE1-CE1 4.39Å; F512-F543 AromaticContact CE1-CE2 3.77Å; F512-F543 HydrophobicContact CE1-CE2 3.77Å; F512-F543 AromaticContact CE1-CZ 3.78Å; F512-F543 HydrophobicContact CE1-CZ 3.78Å
513	A	92.4	Very high	93.9	Very high	6 Å²	6	46.4 Å²	46.4	5%	0.05	25%	0.252	C	S	.	.			trans	-94.6	132.3	162.6	0	0	0	0	0	109.2	L283 A284 V515	L283-A513 PolarHBondContact O-N 3.38Å; A284-A513 WeakPolarHBondContact CA-O 3.42Å; A513-V515 HydrophobicContact CB-CG2 4.02Å; A513-V515 PolarHBondContact O-N 2.78Å
514	P	89.6	Confident	93.8	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.006	24%	0.237	C	C	.	.			trans	-76.9	42.5	-178.7	35.8	-41	0	0	0	112.8	F512 N536 L540 F543	F512-P514 HydrophobicContact CE1-CB 3.97Å; F512-P514 HydrophobicContact CZ-CB 4.24Å; P514-N536 PolarHBondContact O-ND2 2.77Å; P514-L540 HydrophobicContact CG-CB 3.81Å; P514-L540 HydrophobicContact CG-CD1 4.01Å; P514-L540 HydrophobicContact CG-CG 3.62Å; P514-F543 HydrophobicContact CB-CB 3.93Å; P514-F543 HydrophobicContact CB-CD1 4.06Å; P514-F543 HydrophobicContact CB-CD2 4.2Å; P514-F543 HydrophobicContact CB-CG 3.78Å; P514-F543 HydrophobicContact CG-CB 3.79Å; P514-F543 HydrophobicContact CG-CD1 3.64Å; P514-F543 HydrophobicContact CG-CE1 4.42Å; P514-F543 HydrophobicContact CG-CG 3.76Å
515	V	94.5	Very high	93.6	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.012	23%	0.228	C	C	.	.			trans	-88.9	146	178.5	-170.4	0	0	0	0	109.5	I218 A284 I285 A513 F517 I532 N536 L540	I218-V515 HydrophobicContact CG2-CG1 4.1Å; A284-V515 WeakPolarHBondContact CB-O 3.47Å; I285-V515 WeakPolarHBondContact CB-O 2.94Å; I285-V515 PolarHBondContact N-O 3.36Å; A513-V515 HydrophobicContact CB-CG2 4.02Å; A513-V515 PolarHBondContact O-N 2.78Å; V515-F517 HydrophobicContact CB-CD1 4.5Å; V515-F517 HydrophobicContact CB-CE1 3.83Å; V515-F517 HydrophobicContact CB-CZ 4.28Å; V515-F517 HydrophobicContact CG1-CD1 3.96Å; V515-F517 HydrophobicContact CG1-CE1 3.46Å; V515-F517 VanDerWaalsContact CG1-CE1 3.46Å; V515-F517 HydrophobicContact CG1-CZ 4.36Å; V515-I532 HydrophobicContact CG1-CD1 4.22Å; V515-I532 HydrophobicContact CG1-CG1 4.48Å; V515-I532 HydrophobicContact CG2-CD1 4.34Å; V515-N536 WeakPolarHBondContact CA-OD1 3.3Å; V515-N536 WeakPolarHBondContact CG1-OD1 3.49Å; V515-L540 HydrophobicContact CG2-CD1 3.98Å
516	W	95.3	Very high	93.3	Very high	61 Å²	61	47.1 Å²	47.1	23%	0.231	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	113.7	175.7	-70.6	87.9	0	0	0	110.2	I285 D287 P296 F483 L486 N536 E539	I285-W516 HydrophobicContact CB-CD2 4.19Å; I285-W516 HydrophobicContact CB-CE3 4.25Å; I285-W516 HydrophobicContact CD1-CD2 4.42Å; I285-W516 HydrophobicContact CD1-CZ2 4.28Å; I285-W516 HydrophobicContact CG2-CD2 3.89Å; I285-W516 HydrophobicContact CG2-CE3 3.54Å; I285-W516 HydrophobicContact CG2-CH2 3.97Å; I285-W516 HydrophobicContact CG2-CZ2 4.28Å; I285-W516 HydrophobicContact CG2-CZ3 3.59Å; I285-W516 WeakPolarHBondContact O-CA 3.08Å; D287-W516 HydrophobicContact CB-CE3 4.2Å; D287-W516 HydrophobicContact CB-CZ3 4.47Å; P296-W516 HydrophobicContact CB-CZ3 3.77Å; P296-W516 HydrophobicContact CG-CH2 4.28Å; P296-W516 HydrophobicContact CG-CZ3 3.76Å; F483-W516 HydrophobicContact CD1-CZ2 4.01Å; F483-W516 AromaticContact CE1-CZ2 3.83Å; F483-W516 HydrophobicContact CE1-CZ2 3.83Å; F483-W516 HydrophobicContact CG-CZ2 4.46Å; F483-W516 HydrophobicContact CZ-CZ2 4.1Å; L486-W516 HydrophobicContact CD2-CH2 4.18Å; W516-N536 PolarHBondContact N-OD1 3.48Å; W516-E539 PolarHBondContact NE1-OE2 3.5Å
517	F	93.6	Very high	93.1	Very high	21 Å²	21	47.8 Å²	47.8	9%	0.092	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	133.7	172.9	-57.1	-27	0	0	0	111.5	A284 I285 L286 D287 V289 V515 D521 F525	A284-F517 HydrophobicContact CB-CD2 3.55Å; A284-F517 HydrophobicContact CB-CE1 4.34Å; A284-F517 HydrophobicContact CB-CE2 3.19Å; A284-F517 HydrophobicContact CB-CG 4.23Å; A284-F517 HydrophobicContact CB-CZ 3.61Å; I285-F517 PolarHBondContact O-N 2.86Å; L286-F517 HydrophobicContact CD2-CB 4.03Å; L286-F517 HydrophobicContact CD2-CD2 3.83Å; L286-F517 HydrophobicContact CD2-CG 4.4Å; D287-F517 PolarHBondContact N-O 2.86Å; V289-F517 HydrophobicContact CG2-CB 4.44Å; V289-F517 WeakPolarHBondContact CG2-O 2.72Å; V515-F517 HydrophobicContact CB-CD1 4.5Å; V515-F517 HydrophobicContact CB-CE1 3.83Å; V515-F517 HydrophobicContact CB-CZ 4.28Å; V515-F517 HydrophobicContact CG1-CD1 3.96Å; V515-F517 HydrophobicContact CG1-CE1 3.46Å; V515-F517 VanDerWaalsContact CG1-CE1 3.46Å; V515-F517 HydrophobicContact CG1-CZ 4.36Å; F517-D521 HydrophobicContact CB-CB 4.45Å; F517-F525 AromaticContact CE1-CE2 3.86Å; F517-F525 HydrophobicContact CE1-CE2 3.86Å; F517-F525 HydrophobicContact CE1-CZ 4.19Å; F517-F525 AromaticContact CE2-CE2 3.88Å; F517-F525 HydrophobicContact CE2-CE2 3.88Å; F517-F525 HydrophobicContact CE2-CZ 4.25Å; F517-F525 AromaticContact CZ-CE2 3.39Å; F517-F525 HydrophobicContact CZ-CE2 3.39Å; F517-F525 AromaticContact CZ-CZ 3.54Å; F517-F525 HydrophobicContact CZ-CZ 3.54Å
518	K	93.6	Very high	93	Very high	107 Å²	107	44.9 Å²	44.9	47%	0.465	24%	0.242	S	C	.	.			trans	-109.9	169.7	169.8	-62.3	-179.1	-176.2	-96.1	0	109.9	D287 G520 D521	D287-K518 HydrophobicContact CB-CG 4.31Å; D287-K518 IonicContact OD2-NZ 2.62Å; D287-K518 PolarHBondContact OD2-NZ 3.35Å; K518-G520 PolarHBondContact O-N 3.05Å; K518-G520 VanDerWaalsContact O-N 3.13Å; K518-D521 WeakPolarHBondContact CB-OD2 3.33Å; K518-D521 PolarHBondContact N-OD2 3.07Å; K518-D521 PolarHBondContact O-N 2.85Å
519	P	90.8	Very high	92.9	Very high	98 Å²	98	43.6 Å²	43.6	64%	0.636	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.6	121.4	179.9	-29.5	37.9	0	0	0	112.3	D287	D287-P519 WeakPolarHBondContact O-CD 3.49Å
520	G	87.8	Confident	92.9	Very high	37 Å²	37	43.2 Å²	43.2	38%	0.381	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	100.5	-24.7	-176.5	0	0	0	0	0	115.1	K518 A522 Q523	K518-G520 PolarHBondContact O-N 3.05Å; K518-G520 VanDerWaalsContact O-N 3.13Å; G520-A522 VanDerWaalsContact C-N 3.27Å; G520-A522 PolarHBondContact O-N 3.43Å; G520-Q523 WeakPolarHBondContact O-CB 3.26Å; G520-Q523 PolarHBondContact O-N 2.91Å
521	D	90.9	Very high	92.8	Very high	19 Å²	19	45.8 Å²	45.8	10%	0.102	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-68.2	-26.2	-175.6	-65.4	-40.3	0	0	0	113.1	F517 K518 Q523 R524	F517-D521 HydrophobicContact CB-CB 4.45Å; K518-D521 WeakPolarHBondContact CB-OD2 3.33Å; K518-D521 PolarHBondContact N-OD2 3.07Å; K518-D521 PolarHBondContact O-N 2.85Å; D521-Q523 PolarHBondContact O-N 3.01Å; D521-Q523 VanDerWaalsContact O-N 3.11Å; D521-R524 VanDerWaalsContact O-CB 3.26Å; D521-R524 WeakPolarHBondContact O-CB 3.36Å; D521-R524 WeakPolarHBondContact O-CG 3.47Å; D521-R524 PolarHBondContact O-N 3.07Å; D521-R524 IonicContact OD1-CZ 2.58Å; D521-R524 IonicContact OD1-NE 3.02Å; D521-R524 PolarHBondContact OD1-NE 3.3Å; D521-R524 IonicContact OD1-NH2 2.81Å; D521-R524 PolarHBondContact OD1-NH2 3.34Å
522	A	85.9	Confident	92.8	Very high	66 Å²	66	45.9 Å²	45.9	55%	0.545	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-61.3	-17	172.2	0	0	0	0	0	113.9	G520 R524	G520-A522 VanDerWaalsContact C-N 3.27Å; G520-A522 PolarHBondContact O-N 3.43Å; A522-R524 VanDerWaalsContact C-N 3.29Å
523	Q	88.9	Confident	92.9	Very high	164 Å²	164	47.3 Å²	47.3	77%	0.766	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-84.4	-1.7	175.6	-59.9	176.6	-14.3	0	0	112.9	G520 D521	G520-Q523 WeakPolarHBondContact O-CB 3.26Å; G520-Q523 PolarHBondContact O-N 2.91Å; D521-Q523 PolarHBondContact O-N 3.01Å; D521-Q523 VanDerWaalsContact O-N 3.11Å
524	R	92.8	Very high	93.1	Very high	44 Å²	44	48.9 Å²	48.9	17%	0.166	26%	0.26	C	S	.	.			trans	-86	-22.5	178.3	-60.5	179.5	-166.6	-69.2	-12.4	113.3	I218 D521 A522 H526 G527 N529 E530	I218-R524 HydrophobicContact CD1-CB 4.02Å; D521-R524 VanDerWaalsContact O-CB 3.26Å; D521-R524 WeakPolarHBondContact O-CB 3.36Å; D521-R524 WeakPolarHBondContact O-CG 3.47Å; D521-R524 PolarHBondContact O-N 3.07Å; D521-R524 IonicContact OD1-CZ 2.58Å; D521-R524 IonicContact OD1-NE 3.02Å; D521-R524 PolarHBondContact OD1-NE 3.3Å; D521-R524 IonicContact OD1-NH2 2.81Å; D521-R524 PolarHBondContact OD1-NH2 3.34Å; A522-R524 VanDerWaalsContact C-N 3.29Å; R524-H526 PolarHBondContact O-N 3.3Å; R524-G527 WeakPolarHBondContact O-CA 3.43Å; R524-G527 PolarHBondContact O-N 3.02Å; R524-N529 WeakPolarHBondContact CD-O 3.27Å; R524-N529 PolarHBondContact NH1-O 2.98Å; R524-E530 HydrophobicContact CB-CG 4.42Å
525	F	89.6	Confident	93.4	Very high	60 Å²	60	55.2 Å²	55.2	26%	0.263	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	124.1	171.4	-81.7	-88	0	0	0	110.5	I218 D219 F517 G527	I218-F525 HydrophobicContact CB-CZ 4.32Å; I218-F525 HydrophobicContact CD1-CD2 3.85Å; I218-F525 HydrophobicContact CD1-CE2 3.55Å; I218-F525 HydrophobicContact CD1-CG 4.44Å; I218-F525 HydrophobicContact CD1-CZ 3.9Å; I218-F525 HydrophobicContact CG1-CE1 4.18Å; I218-F525 HydrophobicContact CG1-CE2 4.06Å; I218-F525 HydrophobicContact CG1-CZ 3.86Å; D219-F525 HydrophobicContact CB-CD1 3.95Å; D219-F525 HydrophobicContact CB-CE1 3.85Å; D219-F525 VanDerWaalsContact OD2-CD1 3.32Å; D219-F525 WeakPolarHBondContact OD2-CD1 3.29Å; F517-F525 AromaticContact CE1-CE2 3.86Å; F517-F525 HydrophobicContact CE1-CE2 3.86Å; F517-F525 HydrophobicContact CE1-CZ 4.19Å; F517-F525 AromaticContact CE2-CE2 3.88Å; F517-F525 HydrophobicContact CE2-CE2 3.88Å; F517-F525 HydrophobicContact CE2-CZ 4.25Å; F517-F525 AromaticContact CZ-CE2 3.39Å; F517-F525 HydrophobicContact CZ-CE2 3.39Å; F517-F525 AromaticContact CZ-CZ 3.54Å; F517-F525 HydrophobicContact CZ-CZ 3.54Å; F525-G527 PolarHBondContact O-N 2.89Å
526	H	91.6	Very high	93.6	Very high	108 Å²	108	55.3 Å²	55.3	50%	0.5	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.5	0.5	-166.1	-36.1	-90.9	0	0	0	116.1	V190 R215 D219 E254 R524	V190-H526 HydrophobicContact CG1-CB 4.28Å; V190-H526 WeakPolarHBondContact CG1-ND1 3.33Å; V190-H526 HydrophobicContact CG2-CB 4Å; R215-H526 VanDerWaalsContact NH2-C 3.33Å; R215-H526 PolarHBondContact NH2-O 3.18Å; D219-H526 IonicContact OD2-CE1 2.65Å; E254-H526 IonicContact OE1-ND1 3.34Å; E254-H526 IonicContact OE2-CE1 2.74Å; E254-H526 PolarHBondContact OE2-CE1 3.15Å; E254-H526 IonicContact OE2-ND1 3.21Å; E254-H526 PolarHBondContact OE2-ND1 3.44Å; R524-H526 PolarHBondContact O-N 3.3Å
527	G	92.5	Very high	93.7	Very high	21 Å²	21	52.4 Å²	52.4	22%	0.216	28%	0.277	C	S	.	.	S	Bend	trans	-92.8	-164.9	-172.4	0	0	0	0	0	113.8	W198 R215 R524 F525	W198-G527 VanDerWaalsContact CZ2-O 3.32Å; W198-G527 WeakPolarHBondContact CZ2-O 3.28Å; R215-G527 PolarHBondContact NH1-O 2.74Å; R215-G527 PolarHBondContact NH2-O 3.49Å; R524-G527 WeakPolarHBondContact O-CA 3.43Å; R524-G527 PolarHBondContact O-N 3.02Å; F525-G527 PolarHBondContact O-N 2.89Å
528	I	94.3	Very high	93.9	Very high	80 Å²	80	52.6 Å²	52.6	41%	0.41	28%	0.278	S	S	.	.	S	Bend	trans	-91.1	158	175.5	66.7	170.7	0	0	0	111.8	D196 W198 E530	D196-I528 HydrophobicContact CB-CG2 4.22Å; W198-I528 HydrophobicContact CD2-CB 4.48Å; W198-I528 HydrophobicContact CG-CB 4.48Å; I528-E530 PolarHBondContact O-N 2.95Å
529	N	95.6	Very high	94.1	Very high	12 Å²	12	49 Å²	49	6%	0.064	26%	0.263	C	S	.	.	S	Bend	trans	54.5	39.1	177.6	-59.5	-22.7	0	0	0	112.7	W198 E199 Y213 R524 R531	W198-N529 WeakPolarHBondContact CA-OD1 3.42Å; W198-N529 VanDerWaalsContact CE3-N 3.32Å; E199-N529 VanDerWaalsContact CD-ND2 3.26Å; E199-N529 WeakPolarHBondContact CG-ND2 3.28Å; E199-N529 PolarHBondContact N-OD1 2.83Å; E199-N529 PolarHBondContact OE1-ND2 3.39Å; Y213-N529 HydrophobicContact CD1-CB 4.3Å; Y213-N529 HydrophobicContact CE1-CB 3.97Å; R524-N529 WeakPolarHBondContact CD-O 3.27Å; R524-N529 PolarHBondContact NH1-O 2.98Å; N529-R531 PolarHBondContact O-N 2.96Å
530	E	97.5	Very high	94.4	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.232	C	C	.	.			trans	-60.1	131	166.4	-159.3	-156.9	132.9	0	0	109.7	W198 Y213 G214 R215 G216 T217 I218 R524 I528	W198-E530 HydrophobicContact CH2-CB 3.69Å; W198-E530 HydrophobicContact CZ3-CB 4.05Å; Y213-E530 WeakPolarHBondContact CA-O 3.28Å; G214-E530 PolarHBondContact N-O 3.29Å; R215-E530 VanDerWaalsContact CA-OE2 3.31Å; R215-E530 WeakPolarHBondContact CA-OE2 3.42Å; R215-E530 WeakPolarHBondContact CD-OE2 3.46Å; R215-E530 IonicContact CZ-OE2 2.7Å; R215-E530 IonicContact NE-OE2 3.54Å; R215-E530 IonicContact NH1-OE2 3.9Å; R215-E530 PolarHBondContact NH1-OE2 3.16Å; G216-E530 VanDerWaalsContact C-OE1 3.31Å; G216-E530 WeakPolarHBondContact CA-OE1 3.5Å; G216-E530 PolarHBondContact N-OE1 2.8Å; G216-E530 PolarHBondContact N-OE2 2.82Å; G216-E530 VanDerWaalsContact N-OE2 3.13Å; T217-E530 WeakPolarHBondContact CA-OE1 3.27Å; T217-E530 PolarHBondContact N-OE1 3.39Å; T217-E530 VanDerWaalsContact OG1-C 3.23Å; T217-E530 PolarHBondContact OG1-O 3.29Å; T217-E530 PolarHBondContact OG1-OE1 3.43Å; I218-E530 HydrophobicContact CD1-CG 3.94Å; I218-E530 HydrophobicContact CG1-CG 3.69Å; I218-E530 PolarHBondContact N-OE1 3.07Å; R524-E530 HydrophobicContact CB-CG 4.42Å; I528-E530 PolarHBondContact O-N 2.95Å
531	R	97.4	Very high	94.9	Very high	54 Å²	54	42.6 Å²	42.6	20%	0.204	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	151.6	-171.5	66.6	-175.9	-166.3	161.1	10.8	112	F211 I212 Y213 T217 I218 N529	F211-R531 HydrophobicContact CB-CB 4.21Å; F211-R531 HydrophobicContact CB-CG 4.39Å; F211-R531 HydrophobicContact CD1-CB 4.21Å; F211-R531 HydrophobicContact CD1-CG 3.73Å; F211-R531 HydrophobicContact CE1-CG 4.4Å; F211-R531 HydrophobicContact CG-CG 4.28Å; I212-R531 WeakPolarHBondContact O-CA 3.25Å; I212-R531 WeakPolarHBondContact O-CB 3.35Å; Y213-R531 HydrophobicContact CD1-CB 4.32Å; Y213-R531 HydrophobicContact CD2-CB 3.91Å; Y213-R531 HydrophobicContact CE2-CB 4.2Å; Y213-R531 HydrophobicContact CG-CB 3.98Å; Y213-R531 VanDerWaalsContact CZ-CD 3.48Å; Y213-R531 PolarHBondContact OH-NH1 3.22Å; T217-R531 WeakPolarHBondContact OG1-CA 3.49Å; T217-R531 PolarHBondContact OG1-N 3.44Å; I218-R531 WeakPolarHBondContact CG2-O 3.33Å; N529-R531 PolarHBondContact O-N 2.96Å
532	I	97.7	Very high	95.2	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.01	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	145.2	169.4	-166	170.5	0	0	0	110.1	F116 F211 I212 T217 I218 C222 V515 N536	F116-I532 HydrophobicContact CE1-CG2 3.52Å; F116-I532 HydrophobicContact CZ-CG2 3.79Å; F211-I532 WeakPolarHBondContact CA-O 3.42Å; I212-I532 PolarHBondContact N-O 3.26Å; I212-I532 PolarHBondContact O-N 3.01Å; T217-I532 HydrophobicContact CG2-CG2 4.25Å; T217-I532 WeakPolarHBondContact O-CB 3.25Å; T217-I532 WeakPolarHBondContact O-CG2 3.38Å; I218-I532 HydrophobicContact CG2-CB 4.08Å; I218-I532 HydrophobicContact CG2-CG1 4.49Å; C222-I532 HydrophobicContact CB-CD1 4.39Å; V515-I532 HydrophobicContact CG1-CD1 4.22Å; V515-I532 HydrophobicContact CG1-CG1 4.48Å; V515-I532 HydrophobicContact CG2-CD1 4.34Å; I532-N536 HydrophobicContact CD1-CB 4.43Å; I532-N536 HydrophobicContact CG1-CB 4.07Å
533	S	97.8	Very high	95.8	Very high	31 Å²	31	40.4 Å²	40.4	22%	0.217	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	144.3	174.4	72.6	0	0	0	0	111	D210 K535 N536 Y537	D210-S533 WeakPolarHBondContact O-CA 3.5Å; S533-K535 VanDerWaalsContact C-N 3.27Å; S533-K535 PolarHBondContact O-N 3.1Å; S533-N536 PolarHBondContact O-N 2.86Å; S533-N536 VanDerWaalsContact OG-CB 3.23Å; S533-N536 WeakPolarHBondContact OG-CB 3.1Å; S533-N536 PolarHBondContact OG-N 2.94Å; S533-Y537 PolarHBondContact O-N 3.4Å
534	K	97.7	Very high	96.2	Very high	39 Å²	39	32.7 Å²	32.7	17%	0.17	16%	0.159	C	C	.	.	H	α-helix	trans	-53.2	-45.6	178	-72.8	177	-75.4	-167.7	0	112.3	L113 E207 D210 I212 N536 Y537 E538	L113-K534 HydrophobicContact CD1-CB 4.05Å; L113-K534 HydrophobicContact CD1-CD 3.76Å; L113-K534 HydrophobicContact CD1-CG 3.86Å; L113-K534 HydrophobicContact CD2-CB 4.12Å; L113-K534 HydrophobicContact CD2-CG 4.02Å; E207-K534 WeakPolarHBondContact OE2-CD 3.39Å; E207-K534 WeakPolarHBondContact OE2-CE 3.2Å; E207-K534 IonicContact OE2-NZ 3.85Å; E207-K534 PolarHBondContact OE2-NZ 2.94Å; D210-K534 PolarHBondContact O-N 3.42Å; D210-K534 WeakPolarHBondContact OD1-CE 3.39Å; D210-K534 IonicContact OD1-NZ 3.11Å; D210-K534 PolarHBondContact OD1-NZ 3.23Å; I212-K534 HydrophobicContact CD1-CG 4.05Å; I212-K534 HydrophobicContact CG1-CG 4.12Å; K534-N536 VanDerWaalsContact C-N 3.34Å; K534-N536 PolarHBondContact O-N 3.23Å; K534-Y537 PolarHBondContact O-N 2.84Å; K534-E538 PolarHBondContact O-N 2.97Å
535	K	96.6	Very high	96.5	Very high	133 Å²	133	30.6 Å²	30.6	58%	0.578	15%	0.151	S	C	*	.	H	α-helix	trans	-58.1	-42.6	175.8	179.1	175.6	178.3	-70	0	112.4	S533 E538 E539	S533-K535 VanDerWaalsContact C-N 3.27Å; S533-K535 PolarHBondContact O-N 3.1Å; K535-E538 PolarHBondContact O-N 3.43Å; K535-E539 WeakPolarHBondContact CE-OE1 3.35Å; K535-E539 IonicContact NZ-OE1 2.7Å; K535-E539 PolarHBondContact NZ-OE1 2.87Å; K535-E539 IonicContact NZ-OE2 3.24Å; K535-E539 WeakPolarHBondContact O-CG 3.27Å; K535-E539 PolarHBondContact O-N 3.23Å
536	N	97.2	Very high	96.9	Very high	4 Å²	4	29.3 Å²	29.3	2%	0.021	15%	0.146	C	C	.	.	H	α-helix	trans	-69.1	-39.3	178.6	-174.4	-178.7	0	0	0	111.6	P514 V515 W516 I532 S533 K534 E538 E539 L540	P514-N536 PolarHBondContact O-ND2 2.77Å; V515-N536 WeakPolarHBondContact CA-OD1 3.3Å; V515-N536 WeakPolarHBondContact CG1-OD1 3.49Å; W516-N536 PolarHBondContact N-OD1 3.48Å; I532-N536 HydrophobicContact CD1-CB 4.43Å; I532-N536 HydrophobicContact CG1-CB 4.07Å; S533-N536 PolarHBondContact O-N 2.86Å; S533-N536 VanDerWaalsContact OG-CB 3.23Å; S533-N536 WeakPolarHBondContact OG-CB 3.1Å; S533-N536 PolarHBondContact OG-N 2.94Å; K534-N536 VanDerWaalsContact C-N 3.34Å; K534-N536 PolarHBondContact O-N 3.23Å; N536-E538 VanDerWaalsContact C-N 3.34Å; N536-E539 WeakPolarHBondContact O-CB 3.08Å; N536-E539 PolarHBondContact O-N 3.03Å; N536-L540 WeakPolarHBondContact O-CB 3.32Å; N536-L540 PolarHBondContact O-N 3.43Å
537	Y	98.1	Very high	97.2	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-64	-40.1	175	-179.3	-103.1	0	0	0	111.7	L112 L113 F116 C222 M225 S533 K534 L540 V541	L112-Y537 HydrophobicContact CD2-CD1 3.49Å; L112-Y537 VanDerWaalsContact CD2-CD1 3.49Å; L112-Y537 HydrophobicContact CD2-CE1 3.41Å; L112-Y537 VanDerWaalsContact CD2-CE1 3.41Å; L112-Y537 HydrophobicContact CG-CD1 4.42Å; L112-Y537 HydrophobicContact CG-CE1 3.86Å; L113-Y537 HydrophobicContact CD2-CD1 3.86Å; F116-Y537 HydrophobicContact CB-CD1 4.18Å; F116-Y537 HydrophobicContact CB-CE1 3.52Å; F116-Y537 HydrophobicContact CB-CE2 4.26Å; F116-Y537 AromaticContact CD1-CD1 3.81Å; F116-Y537 HydrophobicContact CD1-CD1 3.81Å; F116-Y537 AromaticContact CD1-CD2 3.87Å; F116-Y537 HydrophobicContact CD1-CD2 3.87Å; F116-Y537 AromaticContact CD1-CE1 3.98Å; F116-Y537 HydrophobicContact CD1-CE1 3.98Å; F116-Y537 HydrophobicContact CD1-CE2 4.06Å; F116-Y537 AromaticContact CD1-CG 3.75Å; F116-Y537 HydrophobicContact CD1-CG 3.75Å; F116-Y537 HydrophobicContact CD2-CD2 4.11Å; F116-Y537 HydrophobicContact CD2-CE1 4.42Å; F116-Y537 AromaticContact CD2-CE2 3.6Å; F116-Y537 HydrophobicContact CD2-CE2 3.6Å; F116-Y537 AromaticContact CD2-CZ 3.79Å; F116-Y537 HydrophobicContact CE1-CD1 4.4Å; F116-Y537 AromaticContact CE1-CD2 3.8Å; F116-Y537 HydrophobicContact CE1-CD2 3.8Å; F116-Y537 HydrophobicContact CE1-CE2 4.28Å; F116-Y537 AromaticContact CE1-CG 3.88Å; F116-Y537 HydrophobicContact CE1-CG 3.88Å; F116-Y537 HydrophobicContact CE2-CD2 4.05Å; F116-Y537 AromaticContact CE2-CE2 3.86Å; F116-Y537 HydrophobicContact CE2-CE2 3.86Å; F116-Y537 HydrophobicContact CG-CD1 4.07Å; F116-Y537 HydrophobicContact CG-CD2 4.02Å; F116-Y537 AromaticContact CG-CE1 3.74Å; F116-Y537 HydrophobicContact CG-CE1 3.74Å; F116-Y537 AromaticContact CG-CE2 3.71Å; F116-Y537 HydrophobicContact CG-CE2 3.71Å; F116-Y537 HydrophobicContact CG-CG 4.2Å; F116-Y537 AromaticContact CG-CZ 3.57Å; F116-Y537 AromaticContact CZ-CD2 3.87Å; F116-Y537 HydrophobicContact CZ-CD2 3.87Å; F116-Y537 HydrophobicContact CZ-CE2 4.17Å; F116-Y537 HydrophobicContact CZ-CG 4.42Å; C222-Y537 HydrophobicContact CB-CD2 4.23Å; C222-Y537 HydrophobicContact CB-CE2 4.42Å; M225-Y537 HydrophobicContact CB-CE2 4.4Å; M225-Y537 WeakPolarHBondContact CB-OH 3.23Å; S533-Y537 PolarHBondContact O-N 3.4Å; K534-Y537 PolarHBondContact O-N 2.84Å; Y537-L540 HydrophobicContact CD2-CD2 4.44Å; Y537-L540 HydrophobicContact CE2-CD2 4.34Å; Y537-L540 WeakPolarHBondContact O-CB 3.5Å; Y537-L540 PolarHBondContact O-N 3.17Å; Y537-V541 HydrophobicContact CE1-CG2 4.13Å; Y537-V541 WeakPolarHBondContact O-CG2 3.3Å; Y537-V541 PolarHBondContact O-N 2.88Å; Y537-V541 VanDerWaalsContact O-N 3.1Å
538	E	97.6	Very high	97.4	Very high	26 Å²	26	23.1 Å²	23.1	12%	0.121	11%	0.112	C	C	.	.	H	α-helix	trans	-58.6	-45.9	170	-72.6	174.9	-121.2	0	0	112.4	I104 R109 L112 K534 K535 N536 L540 V541 V542	I104-E538 HydrophobicContact CD1-CB 4.28Å; I104-E538 HydrophobicContact CD1-CG 4.48Å; R109-E538 VanDerWaalsContact CD-OE1 3.32Å; R109-E538 WeakPolarHBondContact CD-OE1 3.24Å; R109-E538 IonicContact CZ-OE1 2.69Å; R109-E538 IonicContact CZ-OE2 3.86Å; R109-E538 VanDerWaalsContact CZ-OE2 3.24Å; R109-E538 IonicContact NE-OE1 2.73Å; R109-E538 PolarHBondContact NE-OE1 3.24Å; R109-E538 IonicContact NE-OE2 2.82Å; R109-E538 PolarHBondContact NE-OE2 3.42Å; R109-E538 IonicContact NH2-OE2 2.62Å; R109-E538 PolarHBondContact NH2-OE2 3.01Å; L112-E538 HydrophobicContact CD2-CG 3.9Å; K534-E538 PolarHBondContact O-N 2.97Å; K535-E538 PolarHBondContact O-N 3.43Å; N536-E538 VanDerWaalsContact C-N 3.34Å; E538-L540 VanDerWaalsContact C-N 3.3Å; E538-L540 PolarHBondContact O-N 3.47Å; E538-V541 PolarHBondContact O-N 2.98Å; E538-V542 WeakPolarHBondContact O-CG2 3.5Å; E538-V542 PolarHBondContact O-N 2.9Å
539	E	97	Very high	97.6	Very high	31 Å²	31	19.5 Å²	19.5	15%	0.145	9%	0.094	C	C	.	.	H	α-helix	trans	-60.8	-37.5	175.1	-76	172.1	173.9	0	0	112.4	M482 F483 W516 K535 N536 V542 F543	M482-E539 HydrophobicContact CE-CB 4.3Å; M482-E539 VanDerWaalsContact CE-O 3.28Å; M482-E539 WeakPolarHBondContact CE-O 3.42Å; F483-E539 HydrophobicContact CE1-CG 4.46Å; F483-E539 HydrophobicContact CZ-CB 4.27Å; F483-E539 HydrophobicContact CZ-CG 4.2Å; W516-E539 PolarHBondContact NE1-OE2 3.5Å; K535-E539 WeakPolarHBondContact CE-OE1 3.35Å; K535-E539 IonicContact NZ-OE1 2.7Å; K535-E539 PolarHBondContact NZ-OE1 2.87Å; K535-E539 IonicContact NZ-OE2 3.24Å; K535-E539 WeakPolarHBondContact O-CG 3.27Å; K535-E539 PolarHBondContact O-N 3.23Å; N536-E539 WeakPolarHBondContact O-CB 3.08Å; N536-E539 PolarHBondContact O-N 3.03Å; E539-V542 CarbonylContact O-C 3.59Å; E539-V542 PolarHBondContact O-N 3Å; E539-F543 WeakPolarHBondContact O-CB 3.49Å; E539-F543 PolarHBondContact O-N 3.29Å
540	L	97.5	Very high	97.6	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-64.6	-39.9	176.9	178.6	152.6	0	0	0	111.6	C222 P514 V515 N536 Y537 E538 F543 Y544	C222-L540 HydrophobicContact CB-CD1 4.11Å; C222-L540 WeakPolarHBondContact O-CD2 3.4Å; P514-L540 HydrophobicContact CG-CB 3.81Å; P514-L540 HydrophobicContact CG-CD1 4.01Å; P514-L540 HydrophobicContact CG-CG 3.62Å; V515-L540 HydrophobicContact CG2-CD1 3.98Å; N536-L540 WeakPolarHBondContact O-CB 3.32Å; N536-L540 PolarHBondContact O-N 3.43Å; Y537-L540 HydrophobicContact CD2-CD2 4.44Å; Y537-L540 HydrophobicContact CE2-CD2 4.34Å; Y537-L540 WeakPolarHBondContact O-CB 3.5Å; Y537-L540 PolarHBondContact O-N 3.17Å; E538-L540 VanDerWaalsContact C-N 3.3Å; E538-L540 PolarHBondContact O-N 3.47Å; L540-F543 PolarHBondContact O-N 2.85Å; L540-Y544 PolarHBondContact O-N 2.9Å; L540-Y544 WeakPolarHBondContact O-CD2 3.33Å; L540-Y544 VanDerWaalsContact O-CD2 3.24Å; L540-Y544 HydrophobicContact CG-CD2 4.36Å; L540-Y544 HydrophobicContact CD2-CE2 3.81Å; L540-Y544 HydrophobicContact CD2-CD2 3.99Å; L540-Y544 HydrophobicContact CG-CE2 3.98Å
541	V	98.3	Very high	97.5	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-65.4	-42.1	171.9	-173	0	0	0	0	111.2	L112 Q229 A230 Y233 Y537 E538 F543 Y544 F545	L112-V541 HydrophobicContact CD1-CB 4.06Å; L112-V541 HydrophobicContact CD1-CG1 4.09Å; L112-V541 HydrophobicContact CD1-CG2 3.74Å; L112-V541 HydrophobicContact CG-CG2 4.22Å; Q229-V541 HydrophobicContact CB-CG1 3.94Å; Q229-V541 HydrophobicContact CB-CG2 4.4Å; Q229-V541 HydrophobicContact CG-CG1 3.8Å; Q229-V541 HydrophobicContact CG-CG2 4.4Å; A230-V541 HydrophobicContact CB-CG1 4.21Å; Y233-V541 HydrophobicContact CD2-CG1 4.39Å; Y233-V541 HydrophobicContact CE2-CG1 4.4Å; Y537-V541 HydrophobicContact CE1-CG2 4.13Å; Y537-V541 WeakPolarHBondContact O-CG2 3.3Å; Y537-V541 PolarHBondContact O-N 2.88Å; Y537-V541 VanDerWaalsContact O-N 3.1Å; E538-V541 PolarHBondContact O-N 2.98Å; V541-F543 VanDerWaalsContact C-N 3.3Å; V541-F543 PolarHBondContact O-N 2.65Å; V541-Y544 PolarHBondContact O-N 3.16Å; V541-F545 VanDerWaalsContact O-CB 3.28Å; V541-F545 WeakPolarHBondContact O-CB 3.32Å; V541-F545 PolarHBondContact O-N 2.62Å
542	V	97.9	Very high	97.4	Very high	38 Å²	38	17.1 Å²	17.1	23%	0.23	9%	0.085	C	C	.	.	H	α-helix	trans	-62.7	-36.9	176.4	173.2	0	0	0	0	111.5	L102 I104 M482 E538 E539 F545 N546	L102-V542 HydrophobicContact CD2-CG2 4.1Å; I104-V542 HydrophobicContact CD1-CG2 3.89Å; M482-V542 HydrophobicContact CE-CB 4.16Å; M482-V542 HydrophobicContact CE-CG1 3.95Å; M482-V542 HydrophobicContact CG-CG1 4.48Å; M482-V542 HydrophobicContact SD-CG1 4.17Å; E538-V542 WeakPolarHBondContact O-CG2 3.5Å; E538-V542 PolarHBondContact O-N 2.9Å; E539-V542 CarbonylContact O-C 3.59Å; E539-V542 PolarHBondContact O-N 3Å; V542-F545 PolarHBondContact O-N 3.1Å; V542-N546 WeakPolarHBondContact O-CB 3.42Å; V542-N546 VanDerWaalsContact O-CG 3.27Å; V542-N546 PolarHBondContact O-N 3.34Å; V542-N546 PolarHBondContact O-ND2 3.4Å
543	F	98.1	Very high	97.1	Very high	1 Å²	1	17.1 Å²	17.1	0%	0.004	9%	0.085	C	C	.	.	H	α-helix	trans	-60.7	-54.1	175.5	173.5	-96.1	0	0	0	111.7	L279 I475 T478 V479 M482 F512 P514 E539 L540 V541 F545 N546 L547	L279-F543 HydrophobicContact CD2-CE1 4.29Å; I475-F543 HydrophobicContact CG2-CZ 4.29Å; T478-F543 HydrophobicContact CG2-CD2 3.59Å; T478-F543 HydrophobicContact CG2-CE2 3.6Å; T478-F543 HydrophobicContact CG2-CG 4.37Å; T478-F543 HydrophobicContact CG2-CZ 4.39Å; V479-F543 HydrophobicContact CG2-CE2 3.91Å; M482-F543 HydrophobicContact CE-CB 4.05Å; M482-F543 WeakPolarHBondContact SD-CA 3.46Å; M482-F543 HydrophobicContact SD-CB 3.75Å; M482-F543 HydrophobicContact SD-CD2 4.12Å; M482-F543 HydrophobicContact SD-CG 4.45Å; F512-F543 HydrophobicContact CD1-CE1 4.28Å; F512-F543 HydrophobicContact CD1-CE2 4.2Å; F512-F543 AromaticContact CD1-CZ 3.75Å; F512-F543 HydrophobicContact CD1-CZ 3.75Å; F512-F543 HydrophobicContact CE1-CD2 4.38Å; F512-F543 HydrophobicContact CE1-CE1 4.39Å; F512-F543 AromaticContact CE1-CE2 3.77Å; F512-F543 HydrophobicContact CE1-CE2 3.77Å; F512-F543 AromaticContact CE1-CZ 3.78Å; F512-F543 HydrophobicContact CE1-CZ 3.78Å; P514-F543 HydrophobicContact CB-CB 3.93Å; P514-F543 HydrophobicContact CB-CD1 4.06Å; P514-F543 HydrophobicContact CB-CD2 4.2Å; P514-F543 HydrophobicContact CB-CG 3.78Å; P514-F543 HydrophobicContact CG-CB 3.79Å; P514-F543 HydrophobicContact CG-CD1 3.64Å; P514-F543 HydrophobicContact CG-CE1 4.42Å; P514-F543 HydrophobicContact CG-CG 3.76Å; E539-F543 WeakPolarHBondContact O-CB 3.49Å; E539-F543 PolarHBondContact O-N 3.29Å; L540-F543 PolarHBondContact O-N 2.85Å; V541-F543 VanDerWaalsContact C-N 3.3Å; V541-F543 PolarHBondContact O-N 2.65Å; F543-F545 VanDerWaalsContact C-N 3.3Å; F543-F545 PolarHBondContact O-N 3.17Å; F543-N546 PolarHBondContact O-N 2.91Å; F543-L547 PolarHBondContact O-N 2.88Å; F543-L547 HydrophobicContact CZ-CD1 4.27Å; F543-L547 WeakPolarHBondContact O-CB 3.42Å; F543-L547 HydrophobicContact CE1-CD2 4.1Å; F543-L547 HydrophobicContact CZ-CD2 4.43Å
544	Y	98.5	Very high	96.5	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.008	10%	0.095	C	C	.	.	H	α-helix	trans	-63.4	-37.6	178.3	-70.1	-64	0	0	0	112	L183 A223 I227 L279 L540 V541 N546 L547 F548	L183-Y544 HydrophobicContact CD1-CD1 4.25Å; A223-Y544 HydrophobicContact CB-CE2 4.32Å; I227-Y544 HydrophobicContact CD1-CE1 4.09Å; I227-Y544 HydrophobicContact CD1-CE2 4.49Å; I227-Y544 HydrophobicContact CG1-CD1 3.66Å; I227-Y544 HydrophobicContact CG1-CD2 3.82Å; I227-Y544 HydrophobicContact CG1-CE1 3.62Å; I227-Y544 HydrophobicContact CG1-CE2 3.76Å; I227-Y544 HydrophobicContact CG1-CG 3.78Å; L279-Y544 HydrophobicContact CD2-CE1 4.34Å; L540-Y544 PolarHBondContact O-N 2.9Å; L540-Y544 WeakPolarHBondContact O-CD2 3.33Å; L540-Y544 VanDerWaalsContact O-CD2 3.24Å; L540-Y544 HydrophobicContact CG-CD2 4.36Å; L540-Y544 HydrophobicContact CD2-CE2 3.81Å; L540-Y544 HydrophobicContact CD2-CD2 3.99Å; L540-Y544 HydrophobicContact CG-CE2 3.98Å; V541-Y544 PolarHBondContact O-N 3.16Å; Y544-N546 VanDerWaalsContact C-N 3.3Å; Y544-N546 PolarHBondContact O-N 2.93Å; Y544-L547 HydrophobicContact CD1-CD2 4.05Å; Y544-L547 HydrophobicContact CE1-CD2 4.38Å; Y544-L547 PolarHBondContact O-N 3.11Å; Y544-F548 WeakPolarHBondContact O-CD2 3.37Å; Y544-F548 PolarHBondContact O-N 3.02Å
545	F	98.4	Very high	95.9	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-61.1	-36.1	175.7	-178.2	-84.7	0	0	0	112.9	I100 L102 A230 L234 V541 V542 F543 Q549	I100-F545 HydrophobicContact CB-CZ 4.25Å; I100-F545 HydrophobicContact CG2-CZ 4.05Å; I100-F545 VanDerWaalsContact O-CE1 3.32Å; I100-F545 WeakPolarHBondContact O-CE1 3.2Å; L102-F545 HydrophobicContact CB-CD1 3.71Å; L102-F545 HydrophobicContact CB-CD2 4.34Å; L102-F545 HydrophobicContact CB-CE1 3.47Å; L102-F545 VanDerWaalsContact CB-CE1 3.47Å; L102-F545 HydrophobicContact CB-CE2 4.13Å; L102-F545 HydrophobicContact CB-CG 4.16Å; L102-F545 HydrophobicContact CB-CZ 3.71Å; L102-F545 HydrophobicContact CD2-CB 4.11Å; L102-F545 HydrophobicContact CD2-CD1 4.13Å; L102-F545 HydrophobicContact CD2-CD2 3.91Å; L102-F545 HydrophobicContact CD2-CE2 4.39Å; L102-F545 HydrophobicContact CD2-CG 3.78Å; A230-F545 HydrophobicContact CB-CB 3.92Å; L234-F545 HydrophobicContact CB-CE2 4.47Å; L234-F545 HydrophobicContact CD1-CD2 4.32Å; L234-F545 HydrophobicContact CD2-CD2 3.85Å; L234-F545 HydrophobicContact CD2-CE1 4.3Å; L234-F545 HydrophobicContact CD2-CE2 3.42Å; L234-F545 VanDerWaalsContact CD2-CE2 3.42Å; L234-F545 HydrophobicContact CD2-CG 4.45Å; L234-F545 HydrophobicContact CD2-CZ 3.66Å; L234-F545 HydrophobicContact CG-CD2 3.6Å; L234-F545 HydrophobicContact CG-CE2 3.55Å; L234-F545 HydrophobicContact CG-CG 4.4Å; L234-F545 HydrophobicContact CG-CZ 4.31Å; V541-F545 VanDerWaalsContact O-CB 3.28Å; V541-F545 WeakPolarHBondContact O-CB 3.32Å; V541-F545 PolarHBondContact O-N 2.62Å; V542-F545 PolarHBondContact O-N 3.1Å; F543-F545 VanDerWaalsContact C-N 3.3Å; F543-F545 PolarHBondContact O-N 3.17Å; F545-Q549 PolarHBondContact O-NE2 3.02Å
546	N	97.5	Very high	95.5	Very high	33 Å²	33	21 Å²	21	18%	0.176	10%	0.101	C	C	.	.	H	α-helix	trans	-79.1	-36.4	173.4	-69.4	-24.8	0	0	0	112	T478 V542 F543 Y544 Q549 N550	T478-N546 HydrophobicContact CG2-CB 3.76Å; V542-N546 WeakPolarHBondContact O-CB 3.42Å; V542-N546 VanDerWaalsContact O-CG 3.27Å; V542-N546 PolarHBondContact O-N 3.34Å; V542-N546 PolarHBondContact O-ND2 3.4Å; F543-N546 PolarHBondContact O-N 2.91Å; Y544-N546 VanDerWaalsContact C-N 3.3Å; Y544-N546 PolarHBondContact O-N 2.93Å; N546-Q549 PolarHBondContact O-N 3.36Å; N546-N550 WeakPolarHBondContact O-CB 3.39Å; N546-N550 PolarHBondContact O-N 2.96Å
547	L	97.9	Very high	94.8	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-60.7	-48.1	-179.3	-172.7	71	0	0	0	111.7	L183 L279 I474 I475 T478 F543 Y544 Q549 N550 C551	L183-L547 HydrophobicContact CD2-CD2 3.87Å; L279-L547 HydrophobicContact CD2-CD2 3.51Å; I474-L547 HydrophobicContact CG2-CD1 3.82Å; I475-L547 HydrophobicContact CG1-CD1 4.32Å; T478-L547 HydrophobicContact CG2-CB 4.11Å; T478-L547 HydrophobicContact CG2-CD1 4.41Å; F543-L547 PolarHBondContact O-N 2.88Å; F543-L547 HydrophobicContact CZ-CD1 4.27Å; F543-L547 WeakPolarHBondContact O-CB 3.42Å; F543-L547 HydrophobicContact CE1-CD2 4.1Å; F543-L547 HydrophobicContact CZ-CD2 4.43Å; Y544-L547 HydrophobicContact CD1-CD2 4.05Å; Y544-L547 HydrophobicContact CE1-CD2 4.38Å; Y544-L547 PolarHBondContact O-N 3.11Å; L547-Q549 PolarHBondContact O-N 2.58Å; L547-N550 PolarHBondContact O-N 3.3Å; L547-C551 PolarHBondContact O-N 2.94Å; L547-C551 PolarHBondContact O-SG 2.62Å
548	F	98.1	Very high	93.8	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-52.4	-46	176.7	-72.6	-60	0	0	0	111.3	Y181 L183 I227 A230 L231 L234 Y239 F245 I247 Y544 C551	Y181-F548 WeakPolarHBondContact OH-CD1 3.5Å; L183-F548 HydrophobicContact CD1-CD1 4.41Å; L183-F548 HydrophobicContact CD1-CE1 3.56Å; L183-F548 HydrophobicContact CD1-CZ 3.73Å; I227-F548 HydrophobicContact CG2-CZ 4.13Å; A230-F548 HydrophobicContact CB-CD2 4.25Å; A230-F548 HydrophobicContact CB-CE2 3.87Å; L231-F548 HydrophobicContact CB-CE2 4.08Å; L231-F548 HydrophobicContact CB-CZ 4.17Å; L234-F548 HydrophobicContact CD1-CB 3.56Å; L234-F548 HydrophobicContact CD1-CD2 3.49Å; L234-F548 VanDerWaalsContact CD1-CD2 3.49Å; L234-F548 HydrophobicContact CD1-CE2 4.46Å; L234-F548 HydrophobicContact CD1-CG 3.82Å; Y239-F548 HydrophobicContact CE1-CB 4.41Å; Y239-F548 PolarHBondContact OH-O 3.39Å; Y239-F548 VanDerWaalsContact OH-O 3.12Å; F245-F548 HydrophobicContact CD1-CD1 4.42Å; F245-F548 HydrophobicContact CD2-CD1 4.38Å; F245-F548 AromaticContact CD2-CE1 3.91Å; F245-F548 HydrophobicContact CD2-CE1 3.91Å; F245-F548 AromaticContact CE1-CD1 3.88Å; F245-F548 HydrophobicContact CE1-CD1 3.88Å; F245-F548 HydrophobicContact CE1-CE1 4.23Å; F245-F548 AromaticContact CE2-CD1 3.84Å; F245-F548 HydrophobicContact CE2-CD1 3.84Å; F245-F548 AromaticContact CE2-CE1 3.32Å; F245-F548 HydrophobicContact CE2-CE1 3.32Å; F245-F548 HydrophobicContact CE2-CZ 4.21Å; F245-F548 AromaticContact CZ-CD1 3.56Å; F245-F548 HydrophobicContact CZ-CD1 3.56Å; F245-F548 AromaticContact CZ-CE1 3.5Å; F245-F548 HydrophobicContact CZ-CE1 3.5Å; F245-F548 VanDerWaalsContact CZ-CE1 3.5Å; F245-F548 HydrophobicContact CZ-CZ 4.44Å; I247-F548 HydrophobicContact CD1-CZ 4.39Å; Y544-F548 WeakPolarHBondContact O-CD2 3.37Å; Y544-F548 PolarHBondContact O-N 3.02Å; F548-C551 WeakPolarHBondContact O-CB 3.31Å; F548-C551 PolarHBondContact O-N 2.7Å
549	Q	96.5	Very high	92.3	Very high	4 Å²	4	33.1 Å²	33.1	2%	0.019	16%	0.161	C	C	.	.	H	α-helix	trans	-75.9	-33.6	-177.7	-61.1	-178.4	87.8	0	0	113.3	N99 I100 L234 Y239 F545 N546 L547 C551 D552	N99-Q549 VanDerWaalsContact CA-OE1 3.3Å; I100-Q549 PolarHBondContact O-NE2 2.81Å; I100-Q549 PolarHBondContact O-OE1 2.93Å; L234-Q549 HydrophobicContact CD2-CG 3.93Å; Y239-Q549 HydrophobicContact CE2-CG 4.09Å; F545-Q549 PolarHBondContact O-NE2 3.02Å; N546-Q549 PolarHBondContact O-N 3.36Å; L547-Q549 PolarHBondContact O-N 2.58Å; Q549-C551 VanDerWaalsContact C-N 3.31Å; Q549-D552 WeakPolarHBondContact O-CB 3.32Å; Q549-D552 PolarHBondContact O-N 3Å
550	N	95.8	Very high	90.3	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.011	18%	0.175	C	C	.	.	H	α-helix	trans	-67.5	-32	172.8	-81.6	-26.8	0	0	0	111.6	I474 K477 T478 D481 N546 L547 D552	I474-N550 HydrophobicContact CD1-CB 4.42Å; I474-N550 VanDerWaalsContact CD1-O 3.26Å; I474-N550 WeakPolarHBondContact CD1-O 3.32Å; I474-N550 HydrophobicContact CG2-CB 4.15Å; K477-N550 PolarHBondContact NZ-OD1 3.39Å; T478-N550 PolarHBondContact OG1-ND2 2.87Å; D481-N550 PolarHBondContact OD2-ND2 2.89Å; N546-N550 WeakPolarHBondContact O-CB 3.39Å; N546-N550 PolarHBondContact O-N 2.96Å; L547-N550 PolarHBondContact O-N 3.3Å; N550-D552 PolarHBondContact O-N 3.42Å
551	C	96.1	Very high	87.6	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-15.7	175.1	-67.7	0	0	0	0	114.5	Y181 R243 L547 F548 Q549 I553	Y181-C551 HydrophobicContact CD1-CB 4.09Å; Y181-C551 HydrophobicContact CE1-CB 3.32Å; Y181-C551 HydrophobicContact CE2-CB 4.47Å; Y181-C551 VanDerWaalsContact CZ-SG 3.52Å; R243-C551 WeakPolarHBondContact CD-O 3.45Å; R243-C551 PolarHBondContact NE-O 2.82Å; L547-C551 PolarHBondContact O-N 2.94Å; L547-C551 PolarHBondContact O-SG 2.62Å; F548-C551 WeakPolarHBondContact O-CB 3.31Å; F548-C551 PolarHBondContact O-N 2.7Å; Q549-C551 VanDerWaalsContact C-N 3.31Å; C551-I553 VanDerWaalsContact C-N 3.25Å; C551-I553 PolarHBondContact O-N 2.69Å
552	D	94.8	Very high	84.7	Confident	13 Å²	13	45.6 Å²	45.6	7%	0.07	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-3.2	-178	-85	-22.2	0	0	0	114.7	Y239 R242 R243 Q549 N550	Y239-D552 VanDerWaalsContact CE2-OD2 3.24Å; Y239-D552 WeakPolarHBondContact CE2-OD2 3.36Å; Y239-D552 VanDerWaalsContact CZ-OD2 3.32Å; Y239-D552 VanDerWaalsContact OH-CG 3.29Å; Y239-D552 PolarHBondContact OH-OD2 2.73Å; R242-D552 WeakPolarHBondContact CA-OD1 3.36Å; R242-D552 HydrophobicContact CB-CB 4.11Å; R242-D552 WeakPolarHBondContact CD-O 3.21Å; R242-D552 HydrophobicContact CG-CB 4.39Å; R242-D552 VanDerWaalsContact N-CG 3.32Å; R242-D552 PolarHBondContact N-OD1 3.02Å; R242-D552 PolarHBondContact NE-O 2.96Å; R242-D552 PolarHBondContact NH1-O 3.21Å; R243-D552 PolarHBondContact N-OD1 3.03Å; Q549-D552 WeakPolarHBondContact O-CB 3.32Å; Q549-D552 PolarHBondContact O-N 3Å; N550-D552 PolarHBondContact O-N 3.42Å
553	I	91.1	Very high	82.1	Confident	3 Å²	3	49.9 Å²	49.9	2%	0.015	27%	0.268	C	S	.	.			trans	-68.8	144.5	170.1	74.4	-179.8	0	0	0	110.7	W94 E95 R243 F470 I474 C551 K555 L556	W94-I553 HydrophobicContact CE3-CD1 3.64Å; W94-I553 HydrophobicContact CZ3-CD1 3.54Å; E95-I553 HydrophobicContact CB-CB 4.15Å; E95-I553 HydrophobicContact CB-CG2 3.97Å; E95-I553 VanDerWaalsContact OE2-CA 3.26Å; E95-I553 WeakPolarHBondContact OE2-CA 3.25Å; R243-I553 PolarHBondContact NH2-O 3.19Å; F470-I553 HydrophobicContact CE2-CD1 4.43Å; F470-I553 HydrophobicContact CE2-CG1 3.95Å; F470-I553 HydrophobicContact CZ-CG1 4.19Å; I474-I553 HydrophobicContact CD1-CD1 3.59Å; I474-I553 HydrophobicContact CD1-CG1 4.06Å; C551-I553 VanDerWaalsContact C-N 3.25Å; C551-I553 PolarHBondContact O-N 2.69Å; I553-K555 VanDerWaalsContact CD1-O 3.29Å; I553-K555 WeakPolarHBondContact CD1-O 3.04Å; I553-L556 HydrophobicContact CD1-CD2 4.35Å
554	Q	85.6	Confident	79	Confident	89 Å²	89	58.2 Å²	58.2	42%	0.416	31%	0.307	S	S	.	.	S	Bend	trans	-73.7	-39.9	179.8	-72.5	-178.5	-23.5	0	0	112	E95 L178 R243	E95-Q554 PolarHBondContact OE2-N 3.22Å; L178-Q554 HydrophobicContact CD1-CG 4.43Å; L178-Q554 HydrophobicContact CD2-CG 4.42Å; R243-Q554 PolarHBondContact NH2-O 3.28Å
555	K	84.9	Confident	75.7	Confident	168 Å²	168	67 Å²	67	73%	0.73	35%	0.348	S	S	*	.	S	Bend	trans	-141.6	155.6	-177.5	-63.4	-178.1	179.5	179.9	0	109.8	I553	I553-K555 VanDerWaalsContact CD1-O 3.29Å; I553-K555 WeakPolarHBondContact CD1-O 3.04Å
556	L	88.1	Confident	72.4	Confident	28 Å²	28	79 Å²	79	15%	0.147	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-62.6	159.8	161.5	-62.9	-179.2	0	0	0	110.2	W94 E467 R468 F470 Q473 I553	W94-L556 HydrophobicContact CH2-CD2 4Å; W94-L556 HydrophobicContact CZ3-CD2 3.86Å; E467-L556 WeakPolarHBondContact O-CD1 3.46Å; R468-L556 WeakPolarHBondContact O-CD1 3.49Å; F470-L556 HydrophobicContact CD2-CD2 4.08Å; F470-L556 HydrophobicContact CD2-CG 4.12Å; Q473-L556 HydrophobicContact CB-CD1 4.02Å; Q473-L556 HydrophobicContact CB-CD2 3.82Å; Q473-L556 HydrophobicContact CG-CD1 4.01Å; I553-L556 HydrophobicContact CD1-CD2 4.35Å
557	P	83.4	Confident	71.1	Confident	25 Å²	25	81.3 Å²	81.3	16%	0.162	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-53.2	152.4	167.5	-24	34.8	0	0	0	111.9	A92 W94	A92-P557 HydrophobicContact CB-CB 3.91Å; A92-P557 HydrophobicContact CB-CG 3.91Å; W94-P557 HydrophobicContact CD2-CG 3.56Å; W94-P557 HydrophobicContact CE3-CG 3.82Å; W94-P557 HydrophobicContact CG-CG 3.91Å; W94-P557 HydrophobicContact CH2-CG 4.45Å; W94-P557 HydrophobicContact CZ2-CG 4.22Å; W94-P557 HydrophobicContact CZ3-CG 4.27Å
558	E	75.9	Confident	69.7	Low	181 Å²	181	85.5 Å²	85.5	85%	0.846	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-66.2	139.7	167.8	-63	-173.1	164.1	0	0	109.6	H560	E558-H560 PolarHBondContact O-N 3.07Å
559	L	66.6	Low	68.1	Low	77 Å²	77	90.3 Å²	90.3	40%	0.403	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-63.8	122	176.2	-72.6	77.4	0	0	0	108.4	E467 R468 A561	E467-L559 HydrophobicContact CB-CD2 4.11Å; E467-L559 HydrophobicContact CB-CG 4.12Å; E467-L559 WeakPolarHBondContact OE2-CD2 3.41Å; R468-L559 HydrophobicContact CG-CD1 3.99Å; L559-A561 PolarHBondContact O-N 2.9Å
560	H	56.2	Low	66.5	Low	96 Å²	96	95.4 Å²	95.4	44%	0.444	50%	0.496	S	S	.	.			trans	-63.5	111.4	168.3	-72.4	-48.2	0	0	0	108.3	L91 E558 S562	L91-H560 PolarHBondContact O-NE2 2.76Å; E558-H560 PolarHBondContact O-N 3.07Å; H560-S562 PolarHBondContact O-N 3.31Å
561	A	39.7	Very low	64.6	Low	114 Å²	114	101.2 Å²	101.2	94%	0.942	53%	0.526	S	S	*	.	S	Bend	trans	-73.4	36.5	-172.5	0	0	0	0	0	114.2	L559	L559-A561 PolarHBondContact O-N 2.9Å
562	S	38.1	Very low	62.5	Low	84 Å²	84	107.9 Å²	107.9	59%	0.587	56%	0.561	S	S	*	*			trans	-135.7	108.5	-176.4	57.4	0	0	0	0	109.9	H560	H560-S562 PolarHBondContact O-N 3.31Å
563	I	42.2	Very low	60.2	Low	128 Å²	128	114.7 Å²	114.7	66%	0.656	60%	0.596	S	S	*	*	S	Bend	trans	152.3	-17.1	159.6	-82.7	156.8	0	0	0	111.8	V87	V87-I563 HydrophobicContact CG1-CD1 4.36Å
564	H	34.4	Very low	57.9	Low	175 Å²	175	123.3 Å²	123.3	81%	0.81	64%	0.641	S	S	*	*	S	Bend	trans	-106.6	24.3	-174.1	-75	-43	0	0	0	117.7
565	E	28.8	Very low	55.6	Low	187 Å²	187	126.2 Å²	126.2	87%	0.874	66%	0.66	S	S	*	*			trans	-125.7	100.2	158.4	-73.9	-166.4	165.3	0	0	110.4
566	L	28.3	Very low	52.9	Low	251 Å²	251	122.4 Å²	122.4	100%	1.314	65%	0.653	S	S	*	*			trans	-178.9	0	147.4	-101	164.1	0	0	0	111.8

Retrieved 566 of 566 residues in 2981.8 ms (Link to these results)

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