A0A087Y281_POEFO Loading...

Citramalyl-CoA lyase, mitochondrial

Mitochondrial citramalyl-CoA lyase indirectly involved in the vitamin B12 metabolism. Converts citramalyl-CoA into acetyl-CoA and pyruvate in the C5-dicarboxylate catabolism pathway. The C5-dicarboxylate catabolism pathway is required to detoxify itaconate, a vitamin B12-poisoning metabolite. Also acts as a malate synthase in vitro, converting glyoxylate and acetyl-CoA to malate. Also displays malyl-CoA thioesterase activity. Also acts as a beta-methylmalate synthase in vitro, by mediating conversion of glyoxylate and propionyl-CoA to beta-methylmalate. Also has very weak citramalate synthase activity in vitro.

AlphaFold DB , UniProt , Accession A0A087Y281, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 343 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.2	Very low	36.8	Very low	235 Å²	235	158.1 Å²	158.1	100%	1.158	81%	0.805	S	S	*	*				0	24.2	0	-105.7	-171.4	-60.8	0	0	113.9
2	A	32.5	Very low	36.7	Very low	89 Å²	89	158.2 Å²	158.2	74%	0.736	81%	0.807	S	S	*	*			trans	-107.6	-1.6	-179.9	0	0	0	0	0	114.1
3	A	34	Very low	36.3	Very low	85 Å²	85	155.2 Å²	155.2	70%	0.702	81%	0.805	S	S	*	*	S	Bend	trans	-102	-11.3	-174.3	0	0	0	0	0	114.7
4	H	35.1	Very low	36.6	Very low	174 Å²	174	151.1 Å²	151.1	81%	0.806	81%	0.806	S	S	*	*	S	Bend	trans	-93.2	-11.3	-178.1	-88.5	-70.7	0	0	0	114.8
5	I	40.3	Very low	37	Very low	130 Å²	130	153.5 Å²	153.5	67%	0.667	81%	0.81	S	S	*	*	S	Bend	trans	-82.4	-27	-178.4	-62.5	177.7	0	0	0	111.8	R7	I5-R7 VanDerWaalsContact C-N 3.33Å; I5-R7 PolarHBondContact O-N 3.36Å
6	V	36.2	Very low	36.8	Very low	119 Å²	119	152.8 Å²	152.8	72%	0.721	81%	0.814	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	-17.8	-173.9	-178.1	0	0	0	0	113
7	R	33.3	Very low	36.7	Very low	233 Å²	233	152.5 Å²	152.5	88%	0.879	81%	0.813	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.8	-11.2	-173.6	-132.4	175.2	-176.4	178.6	0.4	114.9	I5	I5-R7 VanDerWaalsContact C-N 3.33Å; I5-R7 PolarHBondContact O-N 3.36Å
8	A	37	Very low	36.9	Very low	81 Å²	81	148.8 Å²	148.8	67%	0.669	82%	0.816	S	S	*	*	S	Bend	trans	-90.2	-9.2	-179.5	0	0	0	0	0	114.4
9	V	38.8	Very low	37	Very low	123 Å²	123	151.9 Å²	151.9	75%	0.745	82%	0.815	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.2	-1.9	-172.3	-177.7	0	0	0	0	113.6
10	R	36	Very low	37.2	Very low	234 Å²	234	151 Å²	151	88%	0.883	81%	0.809	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.2	6	-172.8	-92	-171.4	178	-172.5	0.3	117.4
11	R	39.8	Very low	37.4	Very low	236 Å²	236	147.2 Å²	147.2	89%	0.891	79%	0.793	S	S	*	*	S	Bend	trans	-146.6	71.1	174.9	-70	-169.1	-179.6	-171.7	0	112.7
12	L	34.9	Very low	37.7	Very low	159 Å²	159	140.7 Å²	140.7	83%	0.832	77%	0.768	S	S	*	*			trans	-139.4	138.4	157.8	-75.5	173.8	0	0	0	109.2
13	P	31.8	Very low	38	Very low	120 Å²	120	139 Å²	139	78%	0.779	75%	0.754	S	S	*	*			trans	-66.7	141.8	179.5	7.5	1.9	0	0	0	110.6	Q15	P13-Q15 PolarHBondContact O-N 2.6Å
14	A	40.4	Very low	38.4	Very low	98 Å²	98	137.4 Å²	137.4	81%	0.81	74%	0.735	S	S	*	*	S	Bend	trans	-66.3	100.6	174	0	0	0	0	0	109.8
15	Q	42.6	Very low	38.8	Very low	187 Å²	187	134.7 Å²	134.7	87%	0.874	72%	0.718	S	S	*	*			trans	168.6	96.1	148	-96.1	172.7	19.3	0	0	109.7	P13	P13-Q15 PolarHBondContact O-N 2.6Å
16	T	33.8	Very low	38.6	Very low	141 Å²	141	134.3 Å²	134.3	87%	0.865	71%	0.713	S	S	*	*			trans	-159.6	130.3	149.4	46.1	0	0	0	0	108.3
17	N	35.8	Very low	38.6	Very low	149 Å²	149	133.7 Å²	133.7	80%	0.797	71%	0.705	S	S	*	*			trans	-47	141.2	-179.1	-72.4	-31.3	0	0	0	113.3	W19	N17-W19 PolarHBondContact O-N 2.76Å
18	G	39	Very low	38.9	Very low	85 Å²	85	129.5 Å²	129.5	88%	0.876	69%	0.691	S	S	*	*			trans	-59.2	91.7	-177.2	0	0	0	0	0	113.6
19	W	39.4	Very low	38.9	Very low	208 Å²	208	127.8 Å²	127.8	79%	0.788	67%	0.672	S	S	*	*			trans	-125.6	126.4	167.5	-80.4	62.1	0	0	0	108.5	N17	N17-W19 PolarHBondContact O-N 2.76Å
20	L	42.1	Very low	38.8	Very low	134 Å²	134	126.2 Å²	126.2	70%	0.702	66%	0.657	S	S	*	*			trans	-78.4	133.4	154.1	-69.9	167.9	0	0	0	106.8	V24	L20-V24 HydrophobicContact CB-CB 4Å; L20-V24 HydrophobicContact CB-CG1 4.01Å; L20-V24 HydrophobicContact CD1-CG1 4.11Å; L20-V24 HydrophobicContact CD2-CG1 4.08Å; L20-V24 HydrophobicContact CG-CG1 4.29Å
21	P	41.5	Very low	38.7	Very low	72 Å²	72	117.6 Å²	117.6	47%	0.468	64%	0.635	S	S	.	*			trans	-54.7	152.1	178.3	-24.7	30.4	0	0	0	112.1	A23 V24 W25	P21-A23 PolarHBondContact O-N 3.22Å; P21-V24 HydrophobicContact CB-CG2 4.37Å; P21-V24 HydrophobicContact CG-CG2 4.22Å; P21-V24 WeakPolarHBondContact O-CA 3.45Å; P21-V24 WeakPolarHBondContact O-CB 3.36Å; P21-V24 PolarHBondContact O-N 2.89Å; P21-W25 PolarHBondContact O-N 2.64Å
22	P	48.1	Very low	38.4	Very low	97 Å²	97	108.8 Å²	108.8	63%	0.63	61%	0.609	S	S	*	*	H	α-helix	trans	-50.1	-31.3	173.3	-27.3	34	0	0	0	113.7	V24 W25 Q26	P22-V24 VanDerWaalsContact C-N 3.3Å; P22-V24 PolarHBondContact O-N 3.32Å; P22-W25 PolarHBondContact O-N 3.07Å; P22-Q26 PolarHBondContact O-N 2.97Å
23	A	38.1	Very low	38.4	Very low	54 Å²	54	103.3 Å²	103.3	45%	0.446	58%	0.584	S	S	.	*	H	α-helix	trans	-61.9	-33.6	173.4	0	0	0	0	0	113.2	P21 L27	P21-A23 PolarHBondContact O-N 3.22Å; A23-L27 VanDerWaalsContact O-CB 3.29Å; A23-L27 WeakPolarHBondContact O-CB 3.17Å; A23-L27 WeakPolarHBondContact O-CD1 3.24Å; A23-L27 WeakPolarHBondContact O-CG 3.42Å; A23-L27 PolarHBondContact O-N 3.46Å
24	V	42.9	Very low	38.3	Very low	51 Å²	51	103.4 Å²	103.4	31%	0.309	57%	0.573	S	S	.	*	H	α-helix	trans	-75.3	-32.3	176.3	-178.8	0	0	0	0	111.3	L20 P21 P22 L27 Y28	L20-V24 HydrophobicContact CB-CB 4Å; L20-V24 HydrophobicContact CB-CG1 4.01Å; L20-V24 HydrophobicContact CD1-CG1 4.11Å; L20-V24 HydrophobicContact CD2-CG1 4.08Å; L20-V24 HydrophobicContact CG-CG1 4.29Å; P21-V24 HydrophobicContact CB-CG2 4.37Å; P21-V24 HydrophobicContact CG-CG2 4.22Å; P21-V24 WeakPolarHBondContact O-CA 3.45Å; P21-V24 WeakPolarHBondContact O-CB 3.36Å; P21-V24 PolarHBondContact O-N 2.89Å; P22-V24 VanDerWaalsContact C-N 3.3Å; P22-V24 PolarHBondContact O-N 3.32Å; V24-L27 PolarHBondContact O-N 3.07Å; V24-Y28 VanDerWaalsContact O-CB 3.27Å; V24-Y28 WeakPolarHBondContact O-CB 3.46Å; V24-Y28 PolarHBondContact O-N 3.14Å
25	W	42.9	Very low	37.8	Very low	117 Å²	117	106.9 Å²	106.9	44%	0.443	57%	0.573	S	S	.	*	H	α-helix	trans	-68.7	-42	171.4	-174.9	-104.3	0	0	0	112.1	P21 P22 L27 Y28 T29 F304 Q308	P21-W25 PolarHBondContact O-N 2.64Å; P22-W25 PolarHBondContact O-N 3.07Å; W25-L27 VanDerWaalsContact C-N 3.35Å; W25-Y28 PolarHBondContact O-N 3.33Å; W25-T29 HydrophobicContact CZ2-CG2 4.46Å; W25-T29 WeakPolarHBondContact O-CB 3.29Å; W25-T29 PolarHBondContact O-N 3.45Å; W25-T29 PolarHBondContact O-OG1 2.92Å; W25-F304 HydrophobicContact CZ2-CE1 4.3Å; W25-Q308 HydrophobicContact CH2-CG 4.13Å; W25-Q308 HydrophobicContact CZ2-CG 3.95Å
26	Q	36	Very low	37.5	Very low	123 Å²	123	103.7 Å²	103.7	58%	0.575	56%	0.557	S	S	*	*	H	α-helix	trans	-60.9	-42.4	169.6	-94.8	176.9	-28.5	0	0	111.7	P22 T29 Q30	P22-Q26 PolarHBondContact O-N 2.97Å; Q26-T29 WeakPolarHBondContact CA-OG1 3.26Å; Q26-T29 PolarHBondContact O-OG1 3.34Å; Q26-Q30 WeakPolarHBondContact O-CB 3.31Å; Q26-Q30 WeakPolarHBondContact O-CG 3.47Å; Q26-Q30 PolarHBondContact O-N 3.33Å
27	L	35.8	Very low	37.4	Very low	105 Å²	105	102.9 Å²	102.9	55%	0.55	54%	0.544	S	S	.	.	H	α-helix	trans	-68.8	-32.6	176.1	-76.2	163.5	0	0	0	112.8	A23 V24 W25 A31	A23-L27 VanDerWaalsContact O-CB 3.29Å; A23-L27 WeakPolarHBondContact O-CB 3.17Å; A23-L27 WeakPolarHBondContact O-CD1 3.24Å; A23-L27 WeakPolarHBondContact O-CG 3.42Å; A23-L27 PolarHBondContact O-N 3.46Å; V24-L27 PolarHBondContact O-N 3.07Å; W25-L27 VanDerWaalsContact C-N 3.35Å; L27-A31 WeakPolarHBondContact O-CA 3.48Å; L27-A31 WeakPolarHBondContact O-CB 3.15Å; L27-A31 PolarHBondContact O-N 3.1Å
28	Y	40	Very low	37.2	Very low	145 Å²	145	99.1 Å²	99.1	57%	0.569	53%	0.529	S	S	*	.	H	α-helix	trans	-76.2	-42.6	178.2	-164.8	-93.7	0	0	0	111.7	V24 W25 A31 C32	V24-Y28 VanDerWaalsContact O-CB 3.27Å; V24-Y28 WeakPolarHBondContact O-CB 3.46Å; V24-Y28 PolarHBondContact O-N 3.14Å; W25-Y28 PolarHBondContact O-N 3.33Å; Y28-A31 PolarHBondContact O-N 3.23Å; Y28-C32 WeakPolarHBondContact O-CB 3.22Å; Y28-C32 PolarHBondContact O-N 3.4Å; Y28-C32 PolarHBondContact O-SG 3Å
29	T	37.9	Very low	36.7	Very low	45 Å²	45	101.8 Å²	101.8	28%	0.276	53%	0.531	S	S	.	.	H	α-helix	trans	-62.6	-45.5	169.9	47.8	0	0	0	0	110.6	W25 Q26 A31 C32 C33	W25-T29 HydrophobicContact CZ2-CG2 4.46Å; W25-T29 WeakPolarHBondContact O-CB 3.29Å; W25-T29 PolarHBondContact O-N 3.45Å; W25-T29 PolarHBondContact O-OG1 2.92Å; Q26-T29 WeakPolarHBondContact CA-OG1 3.26Å; Q26-T29 PolarHBondContact O-OG1 3.34Å; T29-A31 PolarHBondContact O-N 3.06Å; T29-C32 CarbonylContact O-C 3.49Å; T29-C32 PolarHBondContact O-N 3.26Å; T29-C33 VanDerWaalsContact O-CB 3.29Å; T29-C33 WeakPolarHBondContact O-CB 3.19Å; T29-C33 PolarHBondContact O-N 3.22Å; T29-C33 PolarHBondContact O-SG 3.08Å
30	Q	35.5	Very low	36.5	Very low	91 Å²	91	94.4 Å²	94.4	43%	0.425	52%	0.52	S	S	.	.	H	α-helix	trans	-61.7	-39.7	172.1	-76.6	173.3	-10	0	0	113	Q26 C33 H34	Q26-Q30 WeakPolarHBondContact O-CB 3.31Å; Q26-Q30 WeakPolarHBondContact O-CG 3.47Å; Q26-Q30 PolarHBondContact O-N 3.33Å; Q30-C33 CarbonylContact O-C 3.53Å; Q30-C33 WeakPolarHBondContact O-CA 3.12Å; Q30-C33 WeakPolarHBondContact O-CB 3.17Å; Q30-C33 PolarHBondContact O-N 3.19Å; Q30-C33 VanDerWaalsContact O-N 3.08Å; Q30-H34 WeakPolarHBondContact O-CB 3.27Å; Q30-H34 PolarHBondContact O-CD2 3.24Å; Q30-H34 VanDerWaalsContact O-CG 3.22Å; Q30-H34 PolarHBondContact O-N 2.87Å
31	A	33.8	Very low	36.4	Very low	53 Å²	53	91.8 Å²	91.8	44%	0.438	51%	0.513	S	S	.	.	H	α-helix	trans	-69	-37.1	177.5	0	0	0	0	0	112.8	L27 Y28 T29 C33 H34	L27-A31 WeakPolarHBondContact O-CA 3.48Å; L27-A31 WeakPolarHBondContact O-CB 3.15Å; L27-A31 PolarHBondContact O-N 3.1Å; Y28-A31 PolarHBondContact O-N 3.23Å; T29-A31 PolarHBondContact O-N 3.06Å; A31-C33 PolarHBondContact O-N 3.14Å; A31-H34 PolarHBondContact O-N 3.41Å
32	C	33.4	Very low	37	Very low	51 Å²	51	94.3 Å²	94.3	35%	0.345	53%	0.532	S	S	.	.	H	α-helix	trans	-74.4	-13.6	169.3	-70.6	0	0	0	0	113.1	Y28 T29 K328	Y28-C32 WeakPolarHBondContact O-CB 3.22Å; Y28-C32 PolarHBondContact O-N 3.4Å; Y28-C32 PolarHBondContact O-SG 3Å; T29-C32 CarbonylContact O-C 3.49Å; T29-C32 PolarHBondContact O-N 3.26Å; C32-K328 PolarHBondContact O-NZ 3.41Å
33	C	35.5	Very low	38.1	Very low	44 Å²	44	91.8 Å²	91.8	30%	0.297	51%	0.513	S	S	.	.	H	α-helix	trans	-91.4	-18.7	168.6	-68.9	0	0	0	0	112.6	T29 Q30 A31 H35 H36 Q37	T29-C33 VanDerWaalsContact O-CB 3.29Å; T29-C33 WeakPolarHBondContact O-CB 3.19Å; T29-C33 PolarHBondContact O-N 3.22Å; T29-C33 PolarHBondContact O-SG 3.08Å; Q30-C33 CarbonylContact O-C 3.53Å; Q30-C33 WeakPolarHBondContact O-CA 3.12Å; Q30-C33 WeakPolarHBondContact O-CB 3.17Å; Q30-C33 PolarHBondContact O-N 3.19Å; Q30-C33 VanDerWaalsContact O-N 3.08Å; A31-C33 PolarHBondContact O-N 3.14Å; C33-H35 PolarHBondContact O-N 2.99Å; C33-H35 VanDerWaalsContact O-N 3.15Å; C33-H36 PolarHBondContact O-N 3.39Å; C33-Q37 PolarHBondContact O-N 3.35Å
34	H	29.5	Very low	40.2	Very low	121 Å²	121	97.1 Å²	97.1	56%	0.56	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-5	-171.6	-92.6	-44.1	0	0	0	115.4	Q30 A31 H36	Q30-H34 WeakPolarHBondContact O-CB 3.27Å; Q30-H34 PolarHBondContact O-CD2 3.24Å; Q30-H34 VanDerWaalsContact O-CG 3.22Å; Q30-H34 PolarHBondContact O-N 2.87Å; A31-H34 PolarHBondContact O-N 3.41Å; H34-H36 VanDerWaalsContact C-N 3.35Å
35	H	30.6	Very low	42.3	Very low	172 Å²	172	98 Å²	98	80%	0.796	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-4.5	165.7	-82.3	67.2	0	0	0	113.5	C33	C33-H35 PolarHBondContact O-N 2.99Å; C33-H35 VanDerWaalsContact O-N 3.15Å
36	H	36.9	Very low	44.7	Very low	119 Å²	119	94.1 Å²	94.1	55%	0.551	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.2	8.4	-177.7	-77	72.9	0	0	0	114.3	C33 H34	C33-H36 PolarHBondContact O-N 3.39Å; H34-H36 VanDerWaalsContact C-N 3.35Å
37	Q	31.1	Very low	47.4	Very low	124 Å²	124	89.1 Å²	89.1	58%	0.579	49%	0.486	S	S	*	.			trans	-117.9	94.5	171.5	-69.4	-172.5	-7.9	0	0	109	C33	C33-Q37 PolarHBondContact O-N 3.35Å
38	S	30.6	Very low	50.3	Low	70 Å²	70	84.1 Å²	84.1	49%	0.49	46%	0.459	S	S	.	.			trans	-62.2	137.4	161	-73.9	0	0	0	0	108.8	G40	S38-G40 PolarHBondContact O-N 2.93Å
39	P	29.6	Very low	53.1	Low	141 Å²	141	77.4 Å²	77.4	92%	0.916	43%	0.433	S	S	*	.	S	Bend	trans	-74.3	79.7	172.3	31.6	-32	0	0	0	108.5
40	G	34.6	Very low	56	Low	54 Å²	54	75.2 Å²	75.2	56%	0.557	42%	0.42	S	S	*	.	S	Bend	trans	-133	142.8	165	0	0	0	0	0	106.5	S38 S42	S38-G40 PolarHBondContact O-N 2.93Å; G40-S42 PolarHBondContact O-N 3.23Å
41	S	39.7	Very low	59	Low	79 Å²	79	70.9 Å²	70.9	55%	0.552	40%	0.4	S	S	*	.			trans	-31.2	124.9	179.3	54	0	0	0	0	111.8	L43	S41-L43 PolarHBondContact O-N 3.37Å
42	S	54.8	Low	62.1	Low	125 Å²	125	68.8 Å²	68.8	87%	0.874	38%	0.381	S	S	*	.			trans	-65.3	77.8	177.5	59.4	0	0	0	0	109.2	G40 R44	G40-S42 PolarHBondContact O-N 3.23Å; S42-R44 PolarHBondContact O-N 2.72Å
43	L	70.1	Confident	65.2	Low	43 Å²	43	67.7 Å²	67.7	23%	0.225	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-60.5	137.3	177.8	-74.3	169.8	0	0	0	107.2	S41 Y45 P166 H199	S41-L43 PolarHBondContact O-N 3.37Å; L43-Y45 PolarHBondContact O-N 3.08Å; L43-P166 HydrophobicContact CD1-CB 4.41Å; L43-P166 HydrophobicContact CD1-CG 4.3Å; L43-H199 HydrophobicContact CD1-CB 3.63Å; L43-H199 VanDerWaalsContact CD1-CD2 3.45Å; L43-H199 WeakPolarHBondContact CD1-CD2 3.37Å
44	R	83.2	Confident	68.1	Low	166 Å²	166	65.8 Å²	65.8	63%	0.626	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-56.6	133.3	178	178.3	-176.8	172.4	-175.8	-1.4	108.6	S42 I46 R168	S42-R44 PolarHBondContact O-N 2.72Å; R44-I46 PolarHBondContact O-N 3.12Å; R44-R168 PolarHBondContact O-NH2 3.18Å
45	Y	86.8	Confident	71.4	Confident	70 Å²	70	61.2 Å²	61.2	28%	0.275	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-60	122.6	169.3	-179.1	-89.9	0	0	0	109.9	L43 P47 Q242 L336 A339	L43-Y45 PolarHBondContact O-N 3.08Å; Y45-P47 HydrophobicContact CD1-CG 4.47Å; Y45-P47 HydrophobicContact CE1-CG 4.35Å; Y45-Q242 HydrophobicContact CE2-CG 4.01Å; Y45-Q242 VanDerWaalsContact CZ-NE2 3.35Å; Y45-L336 HydrophobicContact CE1-CD1 3.99Å; Y45-A339 HydrophobicContact CD1-CB 3.7Å; Y45-A339 HydrophobicContact CE1-CB 4.19Å
46	I	92.3	Very high	74.6	Confident	35 Å²	35	53 Å²	53	18%	0.179	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-101.9	116	176.2	-54.7	-57.5	0	0	0	108.3	R44 R48 E106 Q242	R44-I46 PolarHBondContact O-N 3.12Å; I46-R48 PolarHBondContact O-N 3.22Å; I46-E106 HydrophobicContact CG2-CB 4.06Å; I46-E106 HydrophobicContact CG2-CG 4.2Å; I46-Q242 PolarHBondContact O-NE2 3.21Å
47	P	93.7	Very high	77.5	Confident	18 Å²	18	49.4 Å²	49.4	12%	0.117	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-58.8	137.4	176.2	-23.8	34.4	0	0	0	111.3	Y45 D71 A339	Y45-P47 HydrophobicContact CD1-CG 4.47Å; Y45-P47 HydrophobicContact CE1-CG 4.35Å; P47-D71 HydrophobicContact CB-CB 4.44Å; P47-D71 WeakPolarHBondContact CB-OD2 3.24Å; P47-D71 WeakPolarHBondContact O-CB 3.47Å; P47-A339 HydrophobicContact CG-CB 4.19Å
48	R	97.4	Very high	80.7	Confident	0 Å²	0	45 Å²	45	0%	0	27%	0.265	C	S	.	.			trans	-136.7	44.4	173.9	-62.7	-170.5	-174.1	95.6	4.8	111.2	I46 A50 V51 C72 E106 D201 I244 G271	I46-R48 PolarHBondContact O-N 3.22Å; R48-A50 VanDerWaalsContact C-N 3.32Å; R48-A50 PolarHBondContact O-N 3.48Å; R48-V51 HydrophobicContact CB-CG2 3.99Å; R48-C72 HydrophobicContact CB-CB 4.37Å; R48-C72 HydrophobicContact CG-CB 4.12Å; R48-E106 IonicContact CZ-OE1 3.94Å; R48-E106 IonicContact CZ-OE2 2.71Å; R48-E106 IonicContact NE-OE1 3.65Å; R48-E106 IonicContact NE-OE2 3.2Å; R48-E106 PolarHBondContact NE-OE2 3.17Å; R48-E106 IonicContact NH2-OE1 3.64Å; R48-E106 PolarHBondContact NH2-OE1 2.92Å; R48-E106 IonicContact NH2-OE2 2.78Å; R48-E106 PolarHBondContact NH2-OE2 2.8Å; R48-D201 IonicContact CZ-OD2 3.32Å; R48-D201 IonicContact NH1-OD2 2.72Å; R48-D201 PolarHBondContact NH1-OD2 3.17Å; R48-D201 IonicContact NH2-OD2 3.75Å; R48-D201 PolarHBondContact NH2-OD2 3.02Å; R48-I244 HydrophobicContact CB-CD1 3.85Å; R48-G271 WeakPolarHBondContact O-CA 3.36Å
49	R	97.8	Very high	83.8	Confident	4 Å²	4	45.6 Å²	45.6	2%	0.015	26%	0.26	C	S	.	.	S	Bend	trans	-62.3	-42.2	-174.1	-66.9	171.7	-65.7	130.7	27.7	111.3	D71 G271 K272 V283 Q284 F287 S288	R49-D71 WeakPolarHBondContact CB-OD2 3.42Å; R49-D71 WeakPolarHBondContact CG-OD2 3.02Å; R49-D71 IonicContact CZ-OD1 3.71Å; R49-D71 IonicContact CZ-OD2 2.75Å; R49-D71 VanDerWaalsContact CZ-OD2 3.22Å; R49-D71 PolarHBondContact N-OD2 3.27Å; R49-D71 IonicContact NE-OD1 3.64Å; R49-D71 IonicContact NE-OD2 3.55Å; R49-D71 PolarHBondContact NE-OD2 2.83Å; R49-D71 IonicContact NH2-OD1 3.33Å; R49-D71 PolarHBondContact NH2-OD1 2.89Å; R49-D71 IonicContact NH2-OD2 3.22Å; R49-D71 PolarHBondContact NH2-OD2 3.07Å; R49-G271 CarbonylContact O-C 3.6Å; R49-G271 WeakPolarHBondContact O-CA 3.38Å; R49-K272 PolarHBondContact O-N 3.17Å; R49-V283 WeakPolarHBondContact O-CG1 3.35Å; R49-Q284 HydrophobicContact CB-CB 4.47Å; R49-Q284 HydrophobicContact CB-CG 4.17Å; R49-Q284 PolarHBondContact NH1-O 3.46Å; R49-F287 HydrophobicContact CB-CB 3.83Å; R49-F287 WeakPolarHBondContact CD-O 3.29Å; R49-F287 HydrophobicContact CG-CB 3.89Å; R49-S288 PolarHBondContact NH1-OG 2.99Å
50	A	98.6	Very high	87	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	130.9	167.2	0	0	0	0	0	109.8	R48 V70 C72 V274 I280 V283 Q284	R48-A50 VanDerWaalsContact C-N 3.32Å; R48-A50 PolarHBondContact O-N 3.48Å; A50-V70 HydrophobicContact CB-CG2 4.06Å; A50-V70 WeakPolarHBondContact O-CG2 3.37Å; A50-C72 PolarHBondContact O-N 2.83Å; A50-V274 HydrophobicContact CB-CG1 4.38Å; A50-V274 HydrophobicContact CB-CG2 4.23Å; A50-I280 HydrophobicContact CB-CG2 4.4Å; A50-V283 HydrophobicContact CB-CB 4.32Å; A50-V283 HydrophobicContact CB-CG1 3.9Å; A50-Q284 HydrophobicContact CB-CG 3.57Å
51	V	98.8	Very high	90	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	100.9	178.8	177.9	0	0	0	0	108.4	R48 C72 V74 M137 I244 K272 Q273 V274	R48-V51 HydrophobicContact CB-CG2 3.99Å; V51-C72 HydrophobicContact CG2-CB 4.1Å; V51-V74 HydrophobicContact CG1-CG2 3.43Å; V51-V74 VanDerWaalsContact CG1-CG2 3.43Å; V51-M137 HydrophobicContact CG1-CE 3.81Å; V51-I244 HydrophobicContact CB-CG2 4.29Å; V51-I244 HydrophobicContact CG2-CD1 4.31Å; V51-I244 HydrophobicContact CG2-CG1 4.39Å; V51-I244 HydrophobicContact CG2-CG2 3.8Å; V51-K272 PolarHBondContact N-O 2.89Å; V51-Q273 WeakPolarHBondContact O-CA 3.46Å; V51-V274 PolarHBondContact O-N 3.22Å
52	L	98.7	Very high	92.7	Very high	8 Å²	8	45.9 Å²	45.9	4%	0.042	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	121.6	-173.5	176.3	68.7	0	0	0	112	L65 L68 V70 C72 V74 V274 I280	L52-L65 HydrophobicContact CD2-CD2 3.68Å; L52-L68 HydrophobicContact CD2-CD1 3.55Å; L52-V70 HydrophobicContact CB-CG2 3.94Å; L52-C72 PolarHBondContact N-O 3.39Å; L52-V74 PolarHBondContact O-N 3.19Å; L52-V274 WeakPolarHBondContact CA-O 3.33Å; L52-V274 HydrophobicContact CB-CG2 3.72Å; L52-V274 HydrophobicContact CD1-CG2 3.87Å; L52-V274 HydrophobicContact CG-CG2 4.41Å; L52-I280 HydrophobicContact CD2-CD1 4.16Å
53	Y	98.1	Very high	94.7	Very high	28 Å²	28	45 Å²	45	11%	0.11	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	134.5	172.3	-64.3	-82.2	0	0	0	112.4	V74 F172 Q273 V274	Y53-V74 HydrophobicContact CD1-CB 3.72Å; Y53-V74 HydrophobicContact CD1-CG1 3.7Å; Y53-V74 HydrophobicContact CD1-CG2 4.22Å; Y53-V74 HydrophobicContact CE1-CB 4.04Å; Y53-V74 HydrophobicContact CE1-CG1 3.79Å; Y53-V74 HydrophobicContact CE1-CG2 4.15Å; Y53-V74 HydrophobicContact CG-CB 4.44Å; Y53-F172 HydrophobicContact CE1-CZ 4.32Å; Y53-F172 WeakPolarHBondContact OH-CE1 3.49Å; Y53-F172 WeakPolarHBondContact OH-CZ 3.36Å; Y53-Q273 HydrophobicContact CE2-CB 3.86Å; Y53-Q273 HydrophobicContact CE2-CG 3.72Å; Y53-Q273 PolarHBondContact OH-OE1 3.44Å; Y53-V274 PolarHBondContact N-O 3.3Å
54	C	98.1	Very high	96	Very high	5 Å²	5	48.4 Å²	48.4	3%	0.034	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	119.4	174	-174	0	0	0	0	109.7	G56 K61 L62 L65 V74 D76	C54-G56 PolarHBondContact O-N 3.35Å; C54-K61 VanDerWaalsContact SG-C 3.53Å; C54-K61 WeakPolarHBondContact SG-CB 3.32Å; C54-L62 HydrophobicContact CB-CD2 4.14Å; C54-L65 HydrophobicContact CB-CD1 4.22Å; C54-L65 HydrophobicContact CB-CD2 4.32Å; C54-V74 PolarHBondContact N-O 3.34Å; C54-D76 WeakPolarHBondContact O-CB 3.44Å; C54-D76 PolarHBondContact O-N 3.2Å
55	P	98.3	Very high	96.7	Very high	24 Å²	24	40.7 Å²	40.7	16%	0.156	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.8	127.1	175.9	-27.9	36.1	0	0	0	112	N57 D58 G80 V81	P55-N57 PolarHBondContact O-N 3.24Å; P55-D58 HydrophobicContact CB-CB 4.39Å; P55-D58 PolarHBondContact O-N 2.84Å; P55-D58 VanDerWaalsContact O-N 3.12Å; P55-G80 WeakPolarHBondContact CB-O 3.34Å; P55-G80 WeakPolarHBondContact CG-O 3.21Å; P55-V81 HydrophobicContact CB-CG2 4.31Å
56	G	97.9	Very high	97.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-23.6	-175.8	0	0	0	0	0	114.5	C54 L62 D76 T92	C54-G56 PolarHBondContact O-N 3.35Å; G56-L62 WeakPolarHBondContact O-CD1 3.47Å; G56-D76 WeakPolarHBondContact CA-O 3.48Å; G56-D76 PolarHBondContact N-O 3.39Å; G56-T92 VanDerWaalsContact O-CB 3.29Å; G56-T92 WeakPolarHBondContact O-CB 3.38Å; G56-T92 WeakPolarHBondContact O-CG2 3.15Å
57	N	97.4	Very high	97.3	Very high	44 Å²	44	45 Å²	45	24%	0.235	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	3.2	178	70.3	-63	0	0	0	113.8	P55 K85 E88 A89	P55-N57 PolarHBondContact O-N 3.24Å; N57-K85 HydrophobicContact CB-CB 4.39Å; N57-E88 HydrophobicContact CB-CG 4.36Å; N57-A89 HydrophobicContact CB-CB 4.07Å
58	D	97.4	Very high	97.4	Very high	31 Å²	31	45.8 Å²	45.8	17%	0.166	22%	0.219	C	C	.	.			trans	-110.5	80.8	178.3	-168.1	-28.7	0	0	0	109.9	P55 R60 K61 L62	P55-D58 HydrophobicContact CB-CB 4.39Å; P55-D58 PolarHBondContact O-N 2.84Å; P55-D58 VanDerWaalsContact O-N 3.12Å; D58-R60 PolarHBondContact O-N 3.07Å; D58-R60 VanDerWaalsContact O-N 3.14Å; D58-R60 PolarHBondContact OD1-N 3.1Å; D58-K61 HydrophobicContact CB-CB 4.16Å; D58-K61 HydrophobicContact CB-CD 4.14Å; D58-K61 HydrophobicContact CB-CG 4.25Å; D58-K61 VanDerWaalsContact CG-CG 3.49Å; D58-K61 PolarHBondContact O-N 3.07Å; D58-K61 PolarHBondContact OD1-N 2.81Å; D58-K61 VanDerWaalsContact OD1-N 3.07Å; D58-K61 VanDerWaalsContact OD2-CD 3.24Å; D58-K61 WeakPolarHBondContact OD2-CD 3.4Å; D58-K61 WeakPolarHBondContact OD2-CE 3.23Å; D58-K61 WeakPolarHBondContact OD2-CG 3.47Å; D58-K61 IonicContact OD2-NZ 3.22Å; D58-K61 PolarHBondContact OD2-NZ 2.98Å; D58-L62 PolarHBondContact O-N 2.83Å
59	E	96.6	Very high	97.3	Very high	83 Å²	83	50.3 Å²	50.3	39%	0.388	24%	0.243	S	C	.	.	H	α-helix	trans	-54.5	-34.4	-178.2	-165.6	-169.2	144.8	0	0	112.6	L62 K63 M96	E59-L62 PolarHBondContact O-N 3.15Å; E59-K63 HydrophobicContact CG-CD 4.36Å; E59-K63 WeakPolarHBondContact O-CB 3.36Å; E59-K63 WeakPolarHBondContact O-CG 3.49Å; E59-K63 PolarHBondContact O-N 2.66Å; E59-K63 WeakPolarHBondContact OE1-CE 3.42Å; E59-K63 IonicContact OE1-NZ 2.6Å; E59-K63 PolarHBondContact OE1-NZ 2.74Å; E59-M96 HydrophobicContact CG-CE 4.26Å; E59-M96 HydrophobicContact CG-SD 4.13Å
60	R	96.9	Very high	97.3	Very high	189 Å²	189	50.1 Å²	50.1	71%	0.713	24%	0.242	S	C	*	.	H	α-helix	trans	-63.5	-44.3	176.2	179.7	-169.7	62.9	150.3	-2.3	111.3	D58 K64	D58-R60 PolarHBondContact O-N 3.07Å; D58-R60 VanDerWaalsContact O-N 3.14Å; D58-R60 PolarHBondContact OD1-N 3.1Å; R60-K64 PolarHBondContact O-N 3.07Å
61	K	97.1	Very high	97.3	Very high	91 Å²	91	50.3 Å²	50.3	40%	0.396	24%	0.243	S	C	.	.	H	α-helix	trans	-67.7	-39.3	175.4	-72.5	-178.4	-174	123.7	0	111.4	C54 D58 K64 L65	C54-K61 VanDerWaalsContact SG-C 3.53Å; C54-K61 WeakPolarHBondContact SG-CB 3.32Å; D58-K61 HydrophobicContact CB-CB 4.16Å; D58-K61 HydrophobicContact CB-CD 4.14Å; D58-K61 HydrophobicContact CB-CG 4.25Å; D58-K61 VanDerWaalsContact CG-CG 3.49Å; D58-K61 PolarHBondContact O-N 3.07Å; D58-K61 PolarHBondContact OD1-N 2.81Å; D58-K61 VanDerWaalsContact OD1-N 3.07Å; D58-K61 VanDerWaalsContact OD2-CD 3.24Å; D58-K61 WeakPolarHBondContact OD2-CD 3.4Å; D58-K61 WeakPolarHBondContact OD2-CE 3.23Å; D58-K61 WeakPolarHBondContact OD2-CG 3.47Å; D58-K61 IonicContact OD2-NZ 3.22Å; D58-K61 PolarHBondContact OD2-NZ 2.98Å; K61-K64 WeakPolarHBondContact O-CB 3.14Å; K61-K64 PolarHBondContact O-N 2.85Å; K61-K64 VanDerWaalsContact O-N 3.14Å; K61-L65 PolarHBondContact O-N 2.91Å
62	L	97.5	Very high	97.3	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-59.1	-48.9	176.3	-70.3	175.9	0	0	0	111.7	C54 G56 D58 E59 K64 L65 L75 T92 M96 L100	C54-L62 HydrophobicContact CB-CD2 4.14Å; G56-L62 WeakPolarHBondContact O-CD1 3.47Å; D58-L62 PolarHBondContact O-N 2.83Å; E59-L62 PolarHBondContact O-N 3.15Å; L62-K64 PolarHBondContact O-N 3.13Å; L62-L65 HydrophobicContact CD2-CD1 4.1Å; L62-L65 WeakPolarHBondContact O-CB 3.34Å; L62-L65 VanDerWaalsContact O-CG 3.31Å; L62-L65 WeakPolarHBondContact O-CG 3.49Å; L62-L65 PolarHBondContact O-N 3.03Å; L62-L75 HydrophobicContact CD2-CB 4.41Å; L62-L75 HydrophobicContact CD2-CD2 3.9Å; L62-L75 HydrophobicContact CD2-CG 3.63Å; L62-T92 HydrophobicContact CD1-CG2 3.87Å; L62-M96 HydrophobicContact CB-CE 3.82Å; L62-M96 HydrophobicContact CD1-CB 4.34Å; L62-M96 HydrophobicContact CD1-CG 3.96Å; L62-L100 HydrophobicContact CB-CD1 4.35Å
63	K	96.8	Very high	97.3	Very high	106 Å²	106	49.9 Å²	49.9	46%	0.461	24%	0.241	S	C	.	.	H	α-helix	trans	-61.2	-30.6	176	-74.6	177.7	170.4	171.9	0	113	E59 L65 M96	E59-K63 HydrophobicContact CG-CD 4.36Å; E59-K63 WeakPolarHBondContact O-CB 3.36Å; E59-K63 WeakPolarHBondContact O-CG 3.49Å; E59-K63 PolarHBondContact O-N 2.66Å; E59-K63 WeakPolarHBondContact OE1-CE 3.42Å; E59-K63 IonicContact OE1-NZ 2.6Å; E59-K63 PolarHBondContact OE1-NZ 2.74Å; K63-L65 PolarHBondContact O-N 3.26Å; K63-M96 HydrophobicContact CG-CE 3.63Å
64	K	96.7	Very high	97.3	Very high	115 Å²	115	48.6 Å²	48.6	50%	0.5	24%	0.236	S	C	.	.	H	α-helix	trans	-68.4	-21.6	176.9	-167	175.2	-179.7	-179.2	0	112.8	R60 K61 L62 A66 L67	R60-K64 PolarHBondContact O-N 3.07Å; K61-K64 WeakPolarHBondContact O-CB 3.14Å; K61-K64 PolarHBondContact O-N 2.85Å; K61-K64 VanDerWaalsContact O-N 3.14Å; L62-K64 PolarHBondContact O-N 3.13Å; K64-A66 PolarHBondContact O-N 2.96Å; K64-L67 WeakPolarHBondContact O-CB 3.4Å; K64-L67 PolarHBondContact O-N 3.27Å
65	L	97.1	Very high	97.4	Very high	3 Å²	3	48.3 Å²	48.3	2%	0.016	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-57.5	-33	178.7	-64.9	171.7	0	0	0	112.2	L52 C54 K61 L62 K63 L67 L68 A73 L102	L52-L65 HydrophobicContact CD2-CD2 3.68Å; C54-L65 HydrophobicContact CB-CD1 4.22Å; C54-L65 HydrophobicContact CB-CD2 4.32Å; K61-L65 PolarHBondContact O-N 2.91Å; L62-L65 HydrophobicContact CD2-CD1 4.1Å; L62-L65 WeakPolarHBondContact O-CB 3.34Å; L62-L65 VanDerWaalsContact O-CG 3.31Å; L62-L65 WeakPolarHBondContact O-CG 3.49Å; L62-L65 PolarHBondContact O-N 3.03Å; K63-L65 PolarHBondContact O-N 3.26Å; L65-L67 PolarHBondContact O-N 3.34Å; L65-L67 VanDerWaalsContact O-N 3.1Å; L65-L68 HydrophobicContact CD2-CD1 4.28Å; L65-L68 PolarHBondContact O-N 3.42Å; L65-A73 HydrophobicContact CD1-CB 3.95Å; L65-A73 HydrophobicContact CD2-CB 3.95Å; L65-A73 HydrophobicContact CG-CB 4.43Å; L65-L102 HydrophobicContact CB-CD1 4.14Å; L65-L102 HydrophobicContact CB-CD2 3.71Å; L65-L102 HydrophobicContact CD1-CD1 4.39Å
66	A	96	Very high	97.4	Very high	54 Å²	54	47.3 Å²	47.3	45%	0.446	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-63.4	-15.5	177.9	0	0	0	0	0	113.6	K64 L102	K64-A66 PolarHBondContact O-N 2.96Å; A66-L102 HydrophobicContact CB-CD2 4.03Å
67	L	95.8	Very high	97.4	Very high	143 Å²	143	47.3 Å²	47.3	75%	0.749	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-99.3	1.3	179.2	-54.3	177.6	0	0	0	112.9	K64 L65	K64-L67 WeakPolarHBondContact O-CB 3.4Å; K64-L67 PolarHBondContact O-N 3.27Å; L65-L67 PolarHBondContact O-N 3.34Å; L65-L67 VanDerWaalsContact O-N 3.1Å
68	L	96.9	Very high	97.4	Very high	34 Å²	34	45.4 Å²	45.4	18%	0.178	22%	0.218	C	C	.	.			trans	-110.1	134.9	-174.1	-57.1	-180	0	0	0	110.7	L52 L65 V70 P277 I280	L52-L68 HydrophobicContact CD2-CD1 3.55Å; L65-L68 HydrophobicContact CD2-CD1 4.28Å; L65-L68 PolarHBondContact O-N 3.42Å; L68-V70 VanDerWaalsContact C-N 3.29Å; L68-V70 HydrophobicContact CB-CG1 4.44Å; L68-V70 PolarHBondContact O-N 2.97Å; L68-V70 VanDerWaalsContact O-N 3.13Å; L68-P277 HydrophobicContact CD1-CB 4.36Å; L68-P277 HydrophobicContact CD1-CG 4.19Å; L68-P277 HydrophobicContact CD2-CB 4.07Å; L68-I280 HydrophobicContact CB-CD1 4.2Å; L68-I280 HydrophobicContact CD1-CD1 4.05Å; L68-I280 HydrophobicContact CD2-CD1 4.44Å; L68-I280 HydrophobicContact CG-CD1 4.46Å
69	D	95.8	Very high	97.4	Very high	94 Å²	94	48.4 Å²	48.4	50%	0.503	23%	0.233	S	C	.	.			trans	-87.7	67.9	172	-172.2	49.3	0	0	0	110.8	R104 I280 Q284	D69-R104 IonicContact OD1-CZ 2.71Å; D69-R104 VanDerWaalsContact OD1-CZ 3.22Å; D69-R104 IonicContact OD1-NE 3.41Å; D69-R104 PolarHBondContact OD1-NE 3.1Å; D69-R104 VanDerWaalsContact OD1-NE 3.07Å; D69-R104 IonicContact OD1-NH2 2.7Å; D69-R104 PolarHBondContact OD1-NH2 3.05Å; D69-R104 IonicContact OD2-NH2 3.22Å; D69-R104 PolarHBondContact OD2-NH2 2.86Å; D69-R104 VanDerWaalsContact OD2-NH2 3.15Å; D69-I280 WeakPolarHBondContact O-CG2 3.49Å; D69-Q284 PolarHBondContact O-NE2 3.17Å
70	V	97.8	Very high	97.2	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.234	C	C	.	.			trans	-107.9	140.5	177.4	68	0	0	0	0	110.2	A50 L52 L68 C72 A73 T105 I280	A50-V70 HydrophobicContact CB-CG2 4.06Å; A50-V70 WeakPolarHBondContact O-CG2 3.37Å; L52-V70 HydrophobicContact CB-CG2 3.94Å; L68-V70 VanDerWaalsContact C-N 3.29Å; L68-V70 HydrophobicContact CB-CG1 4.44Å; L68-V70 PolarHBondContact O-N 2.97Å; L68-V70 VanDerWaalsContact O-N 3.13Å; V70-C72 WeakPolarHBondContact CG2-O 3.44Å; V70-A73 HydrophobicContact CG1-CB 4.31Å; V70-T105 HydrophobicContact CG1-CG2 3.77Å; V70-T105 WeakPolarHBondContact O-CG2 3.31Å; V70-T105 PolarHBondContact O-OG1 2.76Å; V70-I280 HydrophobicContact CB-CD1 4.2Å; V70-I280 HydrophobicContact CB-CG1 4.5Å; V70-I280 HydrophobicContact CB-CG2 4.06Å; V70-I280 HydrophobicContact CG2-CG1 4.39Å; V70-I280 HydrophobicContact CG2-CG2 4.2Å
71	D	97.9	Very high	97.2	Very high	4 Å²	4	37.6 Å²	37.6	2%	0.021	20%	0.202	C	C	.	.	S	Bend	trans	-66.2	-39.3	177.3	-79.6	-6.5	0	0	0	112.8	P47 R49 R104 E106 Q284	P47-D71 HydrophobicContact CB-CB 4.44Å; P47-D71 WeakPolarHBondContact CB-OD2 3.24Å; P47-D71 WeakPolarHBondContact O-CB 3.47Å; R49-D71 WeakPolarHBondContact CB-OD2 3.42Å; R49-D71 WeakPolarHBondContact CG-OD2 3.02Å; R49-D71 IonicContact CZ-OD1 3.71Å; R49-D71 IonicContact CZ-OD2 2.75Å; R49-D71 VanDerWaalsContact CZ-OD2 3.22Å; R49-D71 PolarHBondContact N-OD2 3.27Å; R49-D71 IonicContact NE-OD1 3.64Å; R49-D71 IonicContact NE-OD2 3.55Å; R49-D71 PolarHBondContact NE-OD2 2.83Å; R49-D71 IonicContact NH2-OD1 3.33Å; R49-D71 PolarHBondContact NH2-OD1 2.89Å; R49-D71 IonicContact NH2-OD2 3.22Å; R49-D71 PolarHBondContact NH2-OD2 3.07Å; D71-R104 IonicContact OD1-CZ 3.86Å; D71-R104 IonicContact OD1-NH1 3.15Å; D71-R104 PolarHBondContact OD1-NH1 3.4Å; D71-R104 IonicContact OD1-NH2 2.72Å; D71-R104 PolarHBondContact OD1-NH2 3.18Å; D71-E106 PolarHBondContact O-N 3.11Å; D71-Q284 PolarHBondContact OD1-OE1 2.94Å
72	C	98.5	Very high	97.2	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	124.7	-173.9	-179.5	0	0	0	0	110.7	R48 A50 V51 L52 V70 E106 C108	R48-C72 HydrophobicContact CB-CB 4.37Å; R48-C72 HydrophobicContact CG-CB 4.12Å; A50-C72 PolarHBondContact O-N 2.83Å; V51-C72 HydrophobicContact CG2-CB 4.1Å; L52-C72 PolarHBondContact N-O 3.39Å; V70-C72 WeakPolarHBondContact CG2-O 3.44Å; C72-E106 HydrophobicContact CB-CB 4.5Å; C72-C108 PolarHBondContact SG-SG 3.27Å
73	A	98.6	Very high	97.2	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	125.9	174.9	0	0	0	0	0	110	L65 V70 L102 T105 E106 C108	L65-A73 HydrophobicContact CD1-CB 3.95Å; L65-A73 HydrophobicContact CD2-CB 3.95Å; L65-A73 HydrophobicContact CG-CB 4.43Å; V70-A73 HydrophobicContact CG1-CB 4.31Å; A73-L102 HydrophobicContact CB-CD1 4.13Å; A73-T105 HydrophobicContact CB-CG2 3.72Å; A73-E106 PolarHBondContact N-O 2.84Å; A73-C108 PolarHBondContact O-N 3.29Å
74	V	98.8	Very high	97.2	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	110.1	-177.1	-172.7	0	0	0	0	109.3	V51 L52 Y53 C54 D76 C108 R110 M137	V51-V74 HydrophobicContact CG1-CG2 3.43Å; V51-V74 VanDerWaalsContact CG1-CG2 3.43Å; L52-V74 PolarHBondContact O-N 3.19Å; Y53-V74 HydrophobicContact CD1-CB 3.72Å; Y53-V74 HydrophobicContact CD1-CG1 3.7Å; Y53-V74 HydrophobicContact CD1-CG2 4.22Å; Y53-V74 HydrophobicContact CE1-CB 4.04Å; Y53-V74 HydrophobicContact CE1-CG1 3.79Å; Y53-V74 HydrophobicContact CE1-CG2 4.15Å; Y53-V74 HydrophobicContact CG-CB 4.44Å; C54-V74 PolarHBondContact N-O 3.34Å; V74-D76 PolarHBondContact O-N 3.43Å; V74-C108 CarbonylContact C-O 3.49Å; V74-C108 WeakPolarHBondContact CA-O 3.46Å; V74-C108 HydrophobicContact CB-CB 4.44Å; V74-C108 HydrophobicContact CG2-CB 4.04Å; V74-R110 HydrophobicContact CG1-CB 3.53Å; V74-M137 HydrophobicContact CB-SD 4.35Å; V74-M137 HydrophobicContact CG1-SD 3.8Å; V74-M137 HydrophobicContact CG2-CE 3.66Å; V74-M137 HydrophobicContact CG2-SD 3.55Å; V74-M137 VanDerWaalsContact CG2-SD 3.55Å
75	L	98.7	Very high	97.3	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	109	169.6	-73.1	81.1	0	0	0	107.7	L62 I93 M96 L100 C108 V109 R110	L62-L75 HydrophobicContact CD2-CB 4.41Å; L62-L75 HydrophobicContact CD2-CD2 3.9Å; L62-L75 HydrophobicContact CD2-CG 3.63Å; L75-I93 HydrophobicContact CB-CD1 3.96Å; L75-I93 HydrophobicContact CB-CG1 3.92Å; L75-I93 HydrophobicContact CB-CG2 4.15Å; L75-I93 HydrophobicContact CD2-CB 4.47Å; L75-I93 HydrophobicContact CD2-CG1 4.21Å; L75-I93 HydrophobicContact CD2-CG2 4.08Å; L75-M96 HydrophobicContact CD2-CB 4.46Å; L75-L100 HydrophobicContact CD2-CD1 4.33Å; L75-C108 WeakPolarHBondContact CD1-O 3.32Å; L75-C108 PolarHBondContact N-O 3.22Å; L75-V109 HydrophobicContact CB-CG2 4.22Å; L75-V109 WeakPolarHBondContact O-CA 3.4Å; L75-R110 PolarHBondContact O-N 3.4Å
76	D	98.7	Very high	97.4	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.011	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	124.2	-163.1	-170.6	27.4	0	0	0	112.7	C54 G56 V74 E78 G80 V81 R110	C54-D76 WeakPolarHBondContact O-CB 3.44Å; C54-D76 PolarHBondContact O-N 3.2Å; G56-D76 WeakPolarHBondContact CA-O 3.48Å; G56-D76 PolarHBondContact N-O 3.39Å; V74-D76 PolarHBondContact O-N 3.43Å; D76-E78 PolarHBondContact OD1-N 2.79Å; D76-G80 VanDerWaalsContact OD2-CA 3.29Å; D76-G80 WeakPolarHBondContact OD2-CA 3.4Å; D76-G80 PolarHBondContact OD2-N 2.99Å; D76-V81 WeakPolarHBondContact O-CG2 3.29Å; D76-R110 VanDerWaalsContact CG-NH2 3.26Å; D76-R110 IonicContact OD1-CZ 3.21Å; D76-R110 IonicContact OD1-NE 2.79Å; D76-R110 PolarHBondContact OD1-NE 3.41Å; D76-R110 IonicContact OD1-NH2 3.87Å; D76-R110 PolarHBondContact OD1-NH2 3.4Å; D76-R110 VanDerWaalsContact OD1-NH2 3.17Å; D76-R110 IonicContact OD2-CZ 2.78Å; D76-R110 IonicContact OD2-NE 3.47Å; D76-R110 IonicContact OD2-NH2 3.93Å; D76-R110 PolarHBondContact OD2-NH2 2.85Å
77	C	98.6	Very high	97.5	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	25%	0.253	C	S	.	.	S	Bend	trans	-93.9	-11.8	167.5	-66.1	0	0	0	0	112.3	K86 I93 R110 N112	C77-K86 WeakPolarHBondContact O-CD 3.5Å; C77-K86 PolarHBondContact O-NZ 3.35Å; C77-I93 WeakPolarHBondContact SG-CD1 3.45Å; C77-R110 VanDerWaalsContact CB-O 3.3Å; C77-R110 WeakPolarHBondContact CB-O 3.49Å; C77-R110 PolarHBondContact N-O 3.11Å; C77-N112 PolarHBondContact O-ND2 2.88Å; C77-N112 PolarHBondContact O-OD1 3.2Å
78	E	98.3	Very high	97.6	Very high	5 Å²	5	40 Å²	40	2%	0.023	24%	0.235	C	C	.	.	S	Bend	trans	-98.6	-126	-166.2	-159.9	-114.9	-160.2	0	0	112	D76 G80 V81 K86 R110 P139 K140	D76-E78 PolarHBondContact OD1-N 2.79Å; E78-G80 PolarHBondContact O-N 3.27Å; E78-G80 VanDerWaalsContact O-N 3.08Å; E78-V81 PolarHBondContact O-N 3.01Å; E78-K86 VanDerWaalsContact CA-NZ 3.3Å; E78-K86 PolarHBondContact O-NZ 3.12Å; E78-R110 HydrophobicContact CB-CG 4.3Å; E78-R110 IonicContact OE2-CZ 2.82Å; E78-R110 IonicContact OE2-NE 3.62Å; E78-R110 IonicContact OE2-NH1 2.92Å; E78-R110 PolarHBondContact OE2-NH1 3.03Å; E78-R110 IonicContact OE2-NH2 3.78Å; E78-R110 PolarHBondContact OE2-NH2 3.48Å; E78-P139 HydrophobicContact CB-CG 4.37Å; E78-P139 HydrophobicContact CG-CG 3.89Å; E78-K140 WeakPolarHBondContact OE1-CE 3.44Å; E78-K140 IonicContact OE1-NZ 3.39Å; E78-K140 PolarHBondContact OE1-NZ 3.1Å; E78-K140 IonicContact OE2-NZ 3.53Å
79	D	95.5	Very high	97.7	Very high	93 Å²	93	38.3 Å²	38.3	50%	0.497	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-21.9	-166	-73.2	-23.7	0	0	0	114.4	V81 K140	D79-V81 PolarHBondContact O-N 2.9Å; D79-K140 IonicContact OD1-NZ 3.44Å; D79-K140 IonicContact OD2-NZ 3.57Å; D79-K140 PolarHBondContact OD2-NZ 3.47Å
80	G	92.7	Very high	97.8	Very high	38 Å²	38	35.2 Å²	35.2	39%	0.392	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-8.3	172.3	0	0	0	0	0	114.4	P55 D76 E78	P55-G80 WeakPolarHBondContact CB-O 3.34Å; P55-G80 WeakPolarHBondContact CG-O 3.21Å; D76-G80 VanDerWaalsContact OD2-CA 3.29Å; D76-G80 WeakPolarHBondContact OD2-CA 3.4Å; D76-G80 PolarHBondContact OD2-N 2.99Å; E78-G80 PolarHBondContact O-N 3.27Å; E78-G80 VanDerWaalsContact O-N 3.08Å
81	V	98	Very high	97.9	Very high	7 Å²	7	40.6 Å²	40.6	4%	0.042	23%	0.233	C	C	.	.	S	Bend	trans	-123	128	-173.7	-177.5	0	0	0	0	111	P55 D76 E78 D79 K85 K86 A89	P55-V81 HydrophobicContact CB-CG2 4.31Å; D76-V81 WeakPolarHBondContact O-CG2 3.29Å; E78-V81 PolarHBondContact O-N 3.01Å; D79-V81 PolarHBondContact O-N 2.9Å; V81-K85 HydrophobicContact CG1-CB 3.83Å; V81-K86 HydrophobicContact CB-CD 4.25Å; V81-K86 HydrophobicContact CG1-CD 4.07Å; V81-K86 WeakPolarHBondContact O-CE 3.03Å; V81-K86 PolarHBondContact O-NZ 2.7Å; V81-A89 HydrophobicContact CB-CB 4.46Å; V81-A89 HydrophobicContact CG1-CB 3.79Å; V81-A89 HydrophobicContact CG2-CB 3.95Å
82	A	97.3	Very high	97.9	Very high	59 Å²	59	41.5 Å²	41.5	49%	0.488	24%	0.239	S	C	.	.			trans	-60.9	147.2	174.2	0	0	0	0	0	112	T84 K85 K86	A82-T84 PolarHBondContact O-N 3.26Å; A82-T84 VanDerWaalsContact O-N 3.13Å; A82-K85 HydrophobicContact CB-CB 4.47Å; A82-K85 HydrophobicContact CB-CG 4.43Å; A82-K85 WeakPolarHBondContact O-CA 3.33Å; A82-K85 PolarHBondContact O-N 3.49Å; A82-K86 PolarHBondContact O-N 3.47Å
83	L	96.8	Very high	97.9	Very high	145 Å²	145	41.5 Å²	41.5	76%	0.759	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-52.1	-39.4	-179.4	-68.2	175.2	0	0	0	113.4	K85 K86	L83-K85 PolarHBondContact O-N 3.35Å; L83-K86 WeakPolarHBondContact O-CG 3.13Å
84	T	97.7	Very high	97.9	Very high	130 Å²	130	42.2 Å²	42.2	80%	0.798	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-71.1	-10.6	178.8	53.4	0	0	0	0	114.1	A82	A82-T84 PolarHBondContact O-N 3.26Å; A82-T84 VanDerWaalsContact O-N 3.13Å
85	K	98.3	Very high	97.8	Very high	81 Å²	81	47.3 Å²	47.3	35%	0.352	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-114.3	2.4	-175.3	-65.9	-63	-167.9	172.7	0	113.5	N57 V81 A82 L83 A87 E88 A89	N57-K85 HydrophobicContact CB-CB 4.39Å; V81-K85 HydrophobicContact CG1-CB 3.83Å; A82-K85 HydrophobicContact CB-CB 4.47Å; A82-K85 HydrophobicContact CB-CG 4.43Å; A82-K85 WeakPolarHBondContact O-CA 3.33Å; A82-K85 PolarHBondContact O-N 3.49Å; L83-K85 PolarHBondContact O-N 3.35Å; K85-A87 VanDerWaalsContact C-N 3.31Å; K85-A87 PolarHBondContact O-N 3.13Å; K85-E88 WeakPolarHBondContact CD-OE2 3.41Å; K85-E88 WeakPolarHBondContact CE-OE2 3.34Å; K85-E88 IonicContact NZ-OE1 3.91Å; K85-E88 IonicContact NZ-OE2 2.75Å; K85-E88 PolarHBondContact NZ-OE2 2.96Å; K85-E88 PolarHBondContact O-N 2.92Å; K85-A89 PolarHBondContact O-N 3.17Å
86	K	98.3	Very high	97.8	Very high	11 Å²	11	47.4 Å²	47.4	5%	0.048	27%	0.269	C	S	.	.	H	α-helix	trans	-59.4	-40.1	-179.7	-60.9	-71.9	-176.2	169.4	0	112.9	C77 E78 V81 A82 L83 A89 R90 N112 L118	C77-K86 WeakPolarHBondContact O-CD 3.5Å; C77-K86 PolarHBondContact O-NZ 3.35Å; E78-K86 VanDerWaalsContact CA-NZ 3.3Å; E78-K86 PolarHBondContact O-NZ 3.12Å; V81-K86 HydrophobicContact CB-CD 4.25Å; V81-K86 HydrophobicContact CG1-CD 4.07Å; V81-K86 WeakPolarHBondContact O-CE 3.03Å; V81-K86 PolarHBondContact O-NZ 2.7Å; A82-K86 PolarHBondContact O-N 3.47Å; L83-K86 WeakPolarHBondContact O-CG 3.13Å; K86-A89 PolarHBondContact O-N 2.78Å; K86-R90 PolarHBondContact O-N 3.31Å; K86-R90 PolarHBondContact O-NE 2.92Å; K86-R90 PolarHBondContact O-NH2 2.82Å; K86-N112 WeakPolarHBondContact CE-OD1 3.4Å; K86-N112 PolarHBondContact NZ-OD1 2.75Å; K86-L118 HydrophobicContact CB-CD1 4.48Å; K86-L118 HydrophobicContact CD-CD1 4.38Å; K86-L118 HydrophobicContact CG-CD1 4.05Å
87	A	98.5	Very high	97.7	Very high	55 Å²	55	47.3 Å²	47.3	46%	0.455	27%	0.269	S	S	.	.	H	α-helix	trans	-67.3	-42.7	176.2	0	0	0	0	0	112.7	K85 R90 E91	K85-A87 VanDerWaalsContact C-N 3.31Å; K85-A87 PolarHBondContact O-N 3.13Å; A87-R90 VanDerWaalsContact O-CG 3.32Å; A87-R90 WeakPolarHBondContact O-CG 3.41Å; A87-E91 WeakPolarHBondContact O-CG 3.35Å; A87-E91 PolarHBondContact O-N 3.34Å
88	E	98.6	Very high	97.4	Very high	81 Å²	81	49.2 Å²	49.2	38%	0.379	29%	0.288	S	S	.	.	H	α-helix	trans	-61.5	-45.9	174.2	-174.6	-179.8	138.9	0	0	111	N57 K85 R90 E91 T92	N57-E88 HydrophobicContact CB-CG 4.36Å; K85-E88 WeakPolarHBondContact CD-OE2 3.41Å; K85-E88 WeakPolarHBondContact CE-OE2 3.34Å; K85-E88 IonicContact NZ-OE1 3.91Å; K85-E88 IonicContact NZ-OE2 2.75Å; K85-E88 PolarHBondContact NZ-OE2 2.96Å; K85-E88 PolarHBondContact O-N 2.92Å; E88-R90 PolarHBondContact O-N 3.29Å; E88-E91 PolarHBondContact O-N 3.27Å; E88-T92 WeakPolarHBondContact O-CB 3.44Å; E88-T92 PolarHBondContact O-N 3.08Å; E88-T92 PolarHBondContact O-OG1 2.69Å; E88-T92 VanDerWaalsContact O-OG1 3.07Å
89	A	98.7	Very high	97.3	Very high	0 Å²	0	54 Å²	54	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-58.5	-48.4	-179.2	0	0	0	0	0	113.2	N57 V81 K85 K86 E91 T92 I93	N57-A89 HydrophobicContact CB-CB 4.07Å; V81-A89 HydrophobicContact CB-CB 4.46Å; V81-A89 HydrophobicContact CG1-CB 3.79Å; V81-A89 HydrophobicContact CG2-CB 3.95Å; K85-A89 PolarHBondContact O-N 3.17Å; K86-A89 PolarHBondContact O-N 2.78Å; A89-E91 VanDerWaalsContact C-N 3.33Å; A89-E91 PolarHBondContact O-N 2.92Å; A89-T92 PolarHBondContact O-N 2.8Å; A89-I93 WeakPolarHBondContact O-CB 3.5Å; A89-I93 WeakPolarHBondContact O-CG1 3.48Å; A89-I93 PolarHBondContact O-N 3.25Å
90	R	98.5	Very high	97.2	Very high	28 Å²	28	50.1 Å²	50.1	11%	0.106	29%	0.289	C	S	.	.	H	α-helix	trans	-65.3	-36.3	-178.2	67.8	-175.5	69.4	109.9	2.6	112.8	K86 A87 E88 A94 A121 D122 V125	K86-R90 PolarHBondContact O-N 3.31Å; K86-R90 PolarHBondContact O-NE 2.92Å; K86-R90 PolarHBondContact O-NH2 2.82Å; A87-R90 VanDerWaalsContact O-CG 3.32Å; A87-R90 WeakPolarHBondContact O-CG 3.41Å; E88-R90 PolarHBondContact O-N 3.29Å; R90-A94 WeakPolarHBondContact O-CB 3.4Å; R90-A94 PolarHBondContact O-N 3.2Å; R90-A121 WeakPolarHBondContact CD-O 3.3Å; R90-D122 IonicContact CZ-OD1 3.08Å; R90-D122 IonicContact NE-OD1 2.64Å; R90-D122 PolarHBondContact NE-OD1 2.91Å; R90-D122 IonicContact NH2-OD1 2.7Å; R90-D122 PolarHBondContact NH2-OD1 3.21Å; R90-V125 HydrophobicContact CB-CB 4.36Å; R90-V125 HydrophobicContact CB-CG1 4.35Å; R90-V125 HydrophobicContact CG-CB 4.15Å; R90-V125 HydrophobicContact CG-CG1 4.19Å; R90-V125 HydrophobicContact CG-CG2 4.09Å; R90-V125 WeakPolarHBondContact O-CG1 3.24Å
91	E	98.6	Very high	97.3	Very high	114 Å²	114	54.6 Å²	54.6	53%	0.533	30%	0.304	S	S	.	.	H	α-helix	trans	-68.4	-48.6	176.2	-66.1	-65.1	164.1	0	0	110.8	A87 E88 A89 I93 A94 Q95	A87-E91 WeakPolarHBondContact O-CG 3.35Å; A87-E91 PolarHBondContact O-N 3.34Å; E88-E91 PolarHBondContact O-N 3.27Å; A89-E91 VanDerWaalsContact C-N 3.33Å; A89-E91 PolarHBondContact O-N 2.92Å; E91-I93 VanDerWaalsContact C-N 3.3Å; E91-I93 PolarHBondContact O-N 2.83Å; E91-A94 PolarHBondContact O-N 3.32Å; E91-Q95 PolarHBondContact O-N 2.9Å; E91-Q95 VanDerWaalsContact O-N 3.08Å
92	T	98.6	Very high	97.1	Very high	23 Å²	23	54.9 Å²	54.9	14%	0.141	31%	0.306	C	S	.	.	H	α-helix	trans	-59.5	-41.9	176.2	-60.4	0	0	0	0	111.3	G56 L62 E88 A89 Q95 M96	G56-T92 VanDerWaalsContact O-CB 3.29Å; G56-T92 WeakPolarHBondContact O-CB 3.38Å; G56-T92 WeakPolarHBondContact O-CG2 3.15Å; L62-T92 HydrophobicContact CD1-CG2 3.87Å; E88-T92 WeakPolarHBondContact O-CB 3.44Å; E88-T92 PolarHBondContact O-N 3.08Å; E88-T92 PolarHBondContact O-OG1 2.69Å; E88-T92 VanDerWaalsContact O-OG1 3.07Å; A89-T92 PolarHBondContact O-N 2.8Å; T92-Q95 PolarHBondContact O-N 3.3Å; T92-M96 HydrophobicContact CG2-CG 3.97Å; T92-M96 VanDerWaalsContact O-CB 3.27Å; T92-M96 WeakPolarHBondContact O-CB 3.47Å; T92-M96 WeakPolarHBondContact O-CG 3.43Å; T92-M96 PolarHBondContact O-N 2.9Å
93	I	98.6	Very high	96.8	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-61.9	-47.4	177.1	-72.5	171.9	0	0	0	111	L75 C77 A89 E91 Q95 M96 L97 V109 V126	L75-I93 HydrophobicContact CB-CD1 3.96Å; L75-I93 HydrophobicContact CB-CG1 3.92Å; L75-I93 HydrophobicContact CB-CG2 4.15Å; L75-I93 HydrophobicContact CD2-CB 4.47Å; L75-I93 HydrophobicContact CD2-CG1 4.21Å; L75-I93 HydrophobicContact CD2-CG2 4.08Å; C77-I93 WeakPolarHBondContact SG-CD1 3.45Å; A89-I93 WeakPolarHBondContact O-CB 3.5Å; A89-I93 WeakPolarHBondContact O-CG1 3.48Å; A89-I93 PolarHBondContact O-N 3.25Å; E91-I93 VanDerWaalsContact C-N 3.3Å; E91-I93 PolarHBondContact O-N 2.83Å; I93-Q95 VanDerWaalsContact C-N 3.28Å; I93-Q95 PolarHBondContact O-N 3.42Å; I93-M96 PolarHBondContact O-N 2.99Å; I93-L97 HydrophobicContact CG2-CD1 4.3Å; I93-L97 HydrophobicContact CG2-CG 4.38Å; I93-L97 WeakPolarHBondContact O-CG 3.35Å; I93-L97 PolarHBondContact O-N 2.8Å; I93-V109 HydrophobicContact CG2-CG1 4.06Å; I93-V109 HydrophobicContact CG2-CG2 3.6Å; I93-V126 HydrophobicContact CG2-CG2 4.3Å
94	A	98.2	Very high	96.5	Very high	14 Å²	14	52.5 Å²	52.5	12%	0.116	29%	0.294	C	S	.	.	H	α-helix	trans	-59.3	-39.6	179.8	0	0	0	0	0	112.4	R90 E91 V125 A129	R90-A94 WeakPolarHBondContact O-CB 3.4Å; R90-A94 PolarHBondContact O-N 3.2Å; E91-A94 PolarHBondContact O-N 3.32Å; A94-V125 HydrophobicContact CB-CG1 3.79Å; A94-A129 HydrophobicContact CB-CB 3.91Å; A94-A129 WeakPolarHBondContact O-CB 3.44Å
95	Q	97.6	Very high	96.4	Very high	108 Å²	108	47 Å²	47	51%	0.505	26%	0.26	S	S	.	.	H	α-helix	trans	-65.5	-51.3	172.5	-178.7	-178.6	-5.5	0	0	111.7	E91 T92 I93 L97 G98 E99	E91-Q95 PolarHBondContact O-N 2.9Å; E91-Q95 VanDerWaalsContact O-N 3.08Å; T92-Q95 PolarHBondContact O-N 3.3Å; I93-Q95 VanDerWaalsContact C-N 3.28Å; I93-Q95 PolarHBondContact O-N 3.42Å; Q95-L97 VanDerWaalsContact C-N 3.26Å; Q95-L97 PolarHBondContact O-N 3.08Å; Q95-G98 PolarHBondContact O-N 3.19Å; Q95-E99 HydrophobicContact CG-CG 4.48Å; Q95-E99 VanDerWaalsContact CG-OE1 3.24Å; Q95-E99 WeakPolarHBondContact CG-OE1 3.31Å; Q95-E99 PolarHBondContact NE2-OE1 2.85Å; Q95-E99 PolarHBondContact O-N 3.35Å
96	M	97.4	Very high	96.4	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-68.4	-21.3	-172.7	-69.8	-63.1	-75	0	0	113.8	E59 L62 K63 L75 T92 I93 G98 E99 L100	E59-M96 HydrophobicContact CG-CE 4.26Å; E59-M96 HydrophobicContact CG-SD 4.13Å; L62-M96 HydrophobicContact CB-CE 3.82Å; L62-M96 HydrophobicContact CD1-CB 4.34Å; L62-M96 HydrophobicContact CD1-CG 3.96Å; K63-M96 HydrophobicContact CG-CE 3.63Å; L75-M96 HydrophobicContact CD2-CB 4.46Å; T92-M96 HydrophobicContact CG2-CG 3.97Å; T92-M96 VanDerWaalsContact O-CB 3.27Å; T92-M96 WeakPolarHBondContact O-CB 3.47Å; T92-M96 WeakPolarHBondContact O-CG 3.43Å; T92-M96 PolarHBondContact O-N 2.9Å; I93-M96 PolarHBondContact O-N 2.99Å; M96-G98 PolarHBondContact O-N 2.77Å; M96-E99 PolarHBondContact O-N 3.12Å; M96-E99 HydrophobicContact SD-CB 4.37Å; M96-L100 HydrophobicContact CB-CD1 4.02Å; M96-L100 HydrophobicContact CB-CG 4.21Å; M96-L100 HydrophobicContact CE-CD1 3.96Å; M96-L100 HydrophobicContact CE-CD2 3.42Å; M96-L100 VanDerWaalsContact CE-CD2 3.42Å; M96-L100 HydrophobicContact CE-CG 3.58Å; M96-L100 VanDerWaalsContact O-CB 3.26Å; M96-L100 WeakPolarHBondContact O-CB 3.32Å; M96-L100 VanDerWaalsContact O-CG 3.29Å; M96-L100 WeakPolarHBondContact O-CG 3.32Å; M96-L100 PolarHBondContact O-N 3.31Å
97	L	97	Very high	96.3	Very high	1 Å²	1	45 Å²	45	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-58.3	-36.8	174.4	-79.5	169	0	0	0	112.8	I93 Q95 K107 V109 V126 A129 V131 P133	I93-L97 HydrophobicContact CG2-CD1 4.3Å; I93-L97 HydrophobicContact CG2-CG 4.38Å; I93-L97 WeakPolarHBondContact O-CG 3.35Å; I93-L97 PolarHBondContact O-N 2.8Å; Q95-L97 VanDerWaalsContact C-N 3.26Å; Q95-L97 PolarHBondContact O-N 3.08Å; L97-K107 HydrophobicContact CD2-CB 4.49Å; L97-K107 PolarHBondContact O-NZ 2.71Å; L97-V109 HydrophobicContact CD1-CG2 4.26Å; L97-V109 HydrophobicContact CD2-CG2 4.07Å; L97-V126 HydrophobicContact CD1-CG1 4.22Å; L97-A129 HydrophobicContact CD1-CB 4.03Å; L97-V131 WeakPolarHBondContact CB-O 3.43Å; L97-P133 HydrophobicContact CD1-CB 4.48Å; L97-P133 HydrophobicContact CD1-CG 4.43Å; L97-P133 HydrophobicContact CD2-CB 3.92Å
98	G	93.4	Very high	96.3	Very high	39 Å²	39	42.3 Å²	42.3	40%	0.402	23%	0.23	S	C	.	.	H	α-helix	trans	-83.2	-35.3	175.7	0	0	0	0	0	113.6	Q95 M96	Q95-G98 PolarHBondContact O-N 3.19Å; M96-G98 PolarHBondContact O-N 2.77Å
99	E	94.8	Very high	96.3	Very high	106 Å²	106	38.5 Å²	38.5	50%	0.495	21%	0.212	S	C	.	.	H	α-helix	trans	-80.4	-30.5	-175.3	-64	-175.8	-175.5	0	0	114.2	Q95 M96 D101	Q95-E99 HydrophobicContact CG-CG 4.48Å; Q95-E99 VanDerWaalsContact CG-OE1 3.24Å; Q95-E99 WeakPolarHBondContact CG-OE1 3.31Å; Q95-E99 PolarHBondContact NE2-OE1 2.85Å; Q95-E99 PolarHBondContact O-N 3.35Å; M96-E99 PolarHBondContact O-N 3.12Å; M96-E99 HydrophobicContact SD-CB 4.37Å; E99-D101 PolarHBondContact O-N 3.23Å
100	L	94.1	Very high	96.3	Very high	11 Å²	11	39.3 Å²	39.3	6%	0.058	22%	0.215	C	C	.	.			trans	-81	110.2	-177.2	-70.5	175.5	0	0	0	111.7	L62 L75 M96 L102 K107	L62-L100 HydrophobicContact CB-CD1 4.35Å; L75-L100 HydrophobicContact CD2-CD1 4.33Å; M96-L100 HydrophobicContact CB-CD1 4.02Å; M96-L100 HydrophobicContact CB-CG 4.21Å; M96-L100 HydrophobicContact CE-CD1 3.96Å; M96-L100 HydrophobicContact CE-CD2 3.42Å; M96-L100 VanDerWaalsContact CE-CD2 3.42Å; M96-L100 HydrophobicContact CE-CG 3.58Å; M96-L100 VanDerWaalsContact O-CB 3.26Å; M96-L100 WeakPolarHBondContact O-CB 3.32Å; M96-L100 VanDerWaalsContact O-CG 3.29Å; M96-L100 WeakPolarHBondContact O-CG 3.32Å; M96-L100 PolarHBondContact O-N 3.31Å; L100-L102 HydrophobicContact CB-CD2 4.06Å; L100-L102 HydrophobicContact CB-CG 4.16Å; L100-L102 HydrophobicContact CD2-CD2 4.31Å; L100-K107 HydrophobicContact CB-CD 4.33Å; L100-K107 PolarHBondContact O-NZ 2.94Å
101	D	93.9	Very high	96.3	Very high	132 Å²	132	38 Å²	38	71%	0.706	21%	0.21	S	C	*	.			trans	-86.5	106.7	158.2	-174	6	0	0	0	109.7	E99 G103	E99-D101 PolarHBondContact O-N 3.23Å; D101-G103 PolarHBondContact OD1-N 3.42Å
102	L	93.6	Very high	96.3	Very high	13 Å²	13	32.7 Å²	32.7	7%	0.068	19%	0.186	C	C	.	.			trans	-106	13.1	176.8	-51.8	-171.8	0	0	0	112.4	L65 A66 A73 L100 R104 T105 K107	L65-L102 HydrophobicContact CB-CD1 4.14Å; L65-L102 HydrophobicContact CB-CD2 3.71Å; L65-L102 HydrophobicContact CD1-CD1 4.39Å; A66-L102 HydrophobicContact CB-CD2 4.03Å; A73-L102 HydrophobicContact CB-CD1 4.13Å; L100-L102 HydrophobicContact CB-CD2 4.06Å; L100-L102 HydrophobicContact CB-CG 4.16Å; L100-L102 HydrophobicContact CD2-CD2 4.31Å; L102-R104 PolarHBondContact O-N 2.92Å; L102-R104 VanDerWaalsContact O-N 3.1Å; L102-T105 HydrophobicContact CB-CG2 4.35Å; L102-T105 HydrophobicContact CD1-CG2 4.11Å; L102-T105 WeakPolarHBondContact O-CB 3Å; L102-T105 PolarHBondContact O-N 2.89Å; L102-T105 VanDerWaalsContact O-N 3.07Å; L102-T105 PolarHBondContact O-OG1 3.43Å; L102-T105 VanDerWaalsContact O-OG1 3.07Å; L102-K107 HydrophobicContact CB-CG 4.49Å; L102-K107 HydrophobicContact CD1-CD 4.1Å; L102-K107 HydrophobicContact CD1-CG 3.51Å; L102-K107 HydrophobicContact CG-CD 4.13Å; L102-K107 HydrophobicContact CG-CG 4.01Å
103	G	91.9	Very high	96.3	Very high	65 Å²	65	31.9 Å²	31.9	67%	0.67	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.1	-113.5	-177	0	0	0	0	0	112.2	D101	D101-G103 PolarHBondContact OD1-N 3.42Å
104	R	90.6	Very high	96.4	Very high	90 Å²	90	32.9 Å²	32.9	34%	0.34	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-13.4	-177.3	72.9	-178.4	-168.3	83.5	-3.1	114.6	D69 D71 L102	D69-R104 IonicContact OD1-CZ 2.71Å; D69-R104 VanDerWaalsContact OD1-CZ 3.22Å; D69-R104 IonicContact OD1-NE 3.41Å; D69-R104 PolarHBondContact OD1-NE 3.1Å; D69-R104 VanDerWaalsContact OD1-NE 3.07Å; D69-R104 IonicContact OD1-NH2 2.7Å; D69-R104 PolarHBondContact OD1-NH2 3.05Å; D69-R104 IonicContact OD2-NH2 3.22Å; D69-R104 PolarHBondContact OD2-NH2 2.86Å; D69-R104 VanDerWaalsContact OD2-NH2 3.15Å; D71-R104 IonicContact OD1-CZ 3.86Å; D71-R104 IonicContact OD1-NH1 3.15Å; D71-R104 PolarHBondContact OD1-NH1 3.4Å; D71-R104 IonicContact OD1-NH2 2.72Å; D71-R104 PolarHBondContact OD1-NH2 3.18Å; L102-R104 PolarHBondContact O-N 2.92Å; L102-R104 VanDerWaalsContact O-N 3.1Å
105	T	96	Very high	96.3	Very high	14 Å²	14	36 Å²	36	9%	0.086	21%	0.207	C	C	.	.	S	Bend	trans	-68.1	130.4	-175	-53.6	0	0	0	0	110.3	V70 A73 L102 K107	V70-T105 HydrophobicContact CG1-CG2 3.77Å; V70-T105 WeakPolarHBondContact O-CG2 3.31Å; V70-T105 PolarHBondContact O-OG1 2.76Å; A73-T105 HydrophobicContact CB-CG2 3.72Å; L102-T105 HydrophobicContact CB-CG2 4.35Å; L102-T105 HydrophobicContact CD1-CG2 4.11Å; L102-T105 WeakPolarHBondContact O-CB 3Å; L102-T105 PolarHBondContact O-N 2.89Å; L102-T105 VanDerWaalsContact O-N 3.07Å; L102-T105 PolarHBondContact O-OG1 3.43Å; L102-T105 VanDerWaalsContact O-OG1 3.07Å; T105-K107 PolarHBondContact O-N 2.83Å
106	E	96.9	Very high	96.4	Very high	11 Å²	11	33.3 Å²	33.3	5%	0.051	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	122.3	172.5	-170.4	-175.8	-141.9	0	0	110.4	I46 R48 D71 C72 A73 C108 P134	I46-E106 HydrophobicContact CG2-CB 4.06Å; I46-E106 HydrophobicContact CG2-CG 4.2Å; R48-E106 IonicContact CZ-OE1 3.94Å; R48-E106 IonicContact CZ-OE2 2.71Å; R48-E106 IonicContact NE-OE1 3.65Å; R48-E106 IonicContact NE-OE2 3.2Å; R48-E106 PolarHBondContact NE-OE2 3.17Å; R48-E106 IonicContact NH2-OE1 3.64Å; R48-E106 PolarHBondContact NH2-OE1 2.92Å; R48-E106 IonicContact NH2-OE2 2.78Å; R48-E106 PolarHBondContact NH2-OE2 2.8Å; D71-E106 PolarHBondContact O-N 3.11Å; C72-E106 HydrophobicContact CB-CB 4.5Å; A73-E106 PolarHBondContact N-O 2.84Å; E106-C108 VanDerWaalsContact CD-SG 3.56Å; E106-C108 PolarHBondContact O-N 2.96Å; E106-C108 PolarHBondContact OE2-SG 3.17Å; E106-C108 VanDerWaalsContact OE2-SG 3.35Å; E106-P134 HydrophobicContact CG-CG 3.97Å
107	K	96.9	Very high	96.4	Very high	38 Å²	38	36.1 Å²	36.1	17%	0.165	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	90.8	174.8	-74.6	-174.6	-72.3	-176	0	110.5	L97 L100 L102 T105 P134	L97-K107 HydrophobicContact CD2-CB 4.49Å; L97-K107 PolarHBondContact O-NZ 2.71Å; L100-K107 HydrophobicContact CB-CD 4.33Å; L100-K107 PolarHBondContact O-NZ 2.94Å; L102-K107 HydrophobicContact CB-CG 4.49Å; L102-K107 HydrophobicContact CD1-CD 4.1Å; L102-K107 HydrophobicContact CD1-CG 3.51Å; L102-K107 HydrophobicContact CG-CD 4.13Å; L102-K107 HydrophobicContact CG-CG 4.01Å; T105-K107 PolarHBondContact O-N 2.83Å; K107-P134 HydrophobicContact CB-CG 4.46Å; K107-P134 WeakPolarHBondContact O-CD 3.41Å; K107-P134 WeakPolarHBondContact O-CG 3.46Å
108	C	98.2	Very high	96.5	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	148.7	176.8	-66.5	0	0	0	0	111.2	C72 A73 V74 L75 E106 A135 M137	C72-C108 PolarHBondContact SG-SG 3.27Å; A73-C108 PolarHBondContact O-N 3.29Å; V74-C108 CarbonylContact C-O 3.49Å; V74-C108 WeakPolarHBondContact CA-O 3.46Å; V74-C108 HydrophobicContact CB-CB 4.44Å; V74-C108 HydrophobicContact CG2-CB 4.04Å; L75-C108 WeakPolarHBondContact CD1-O 3.32Å; L75-C108 PolarHBondContact N-O 3.22Å; E106-C108 VanDerWaalsContact CD-SG 3.56Å; E106-C108 PolarHBondContact O-N 2.96Å; E106-C108 PolarHBondContact OE2-SG 3.17Å; E106-C108 VanDerWaalsContact OE2-SG 3.35Å; C108-A135 WeakPolarHBondContact CA-O 3.48Å; C108-A135 VanDerWaalsContact SG-CB 3.58Å; C108-M137 HydrophobicContact CB-CE 4.17Å
109	V	98.8	Very high	96.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	124.3	167.9	175.1	0	0	0	0	109.3	L75 I93 L97 V111 V126 P133 A135 I136 M137	L75-V109 HydrophobicContact CB-CG2 4.22Å; L75-V109 WeakPolarHBondContact O-CA 3.4Å; I93-V109 HydrophobicContact CG2-CG1 4.06Å; I93-V109 HydrophobicContact CG2-CG2 3.6Å; L97-V109 HydrophobicContact CD1-CG2 4.26Å; L97-V109 HydrophobicContact CD2-CG2 4.07Å; V109-V111 HydrophobicContact CG1-CG1 4.4Å; V109-V126 HydrophobicContact CB-CG1 4.48Å; V109-V126 HydrophobicContact CG1-CG1 4.21Å; V109-V126 HydrophobicContact CG1-CG2 4.17Å; V109-V126 HydrophobicContact CG2-CG1 4.34Å; V109-P133 HydrophobicContact CB-CB 4.3Å; V109-P133 HydrophobicContact CB-CG 4.27Å; V109-P133 HydrophobicContact CG2-CB 3.76Å; V109-P133 HydrophobicContact CG2-CG 3.98Å; V109-A135 PolarHBondContact N-O 3.41Å; V109-I136 CarbonylContact O-C 3.51Å; V109-I136 WeakPolarHBondContact O-CA 3.31Å; V109-M137 PolarHBondContact O-N 3.06Å
110	R	98.9	Very high	96.9	Very high	17 Å²	17	33.4 Å²	33.4	6%	0.064	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	112.2	169	-176.1	168.4	69.5	150.7	8.6	109.1	V74 L75 D76 C77 E78 M137 P139	V74-R110 HydrophobicContact CG1-CB 3.53Å; L75-R110 PolarHBondContact O-N 3.4Å; D76-R110 VanDerWaalsContact CG-NH2 3.26Å; D76-R110 IonicContact OD1-CZ 3.21Å; D76-R110 IonicContact OD1-NE 2.79Å; D76-R110 PolarHBondContact OD1-NE 3.41Å; D76-R110 IonicContact OD1-NH2 3.87Å; D76-R110 PolarHBondContact OD1-NH2 3.4Å; D76-R110 VanDerWaalsContact OD1-NH2 3.17Å; D76-R110 IonicContact OD2-CZ 2.78Å; D76-R110 IonicContact OD2-NE 3.47Å; D76-R110 IonicContact OD2-NH2 3.93Å; D76-R110 PolarHBondContact OD2-NH2 2.85Å; C77-R110 VanDerWaalsContact CB-O 3.3Å; C77-R110 WeakPolarHBondContact CB-O 3.49Å; C77-R110 PolarHBondContact N-O 3.11Å; E78-R110 HydrophobicContact CB-CG 4.3Å; E78-R110 IonicContact OE2-CZ 2.82Å; E78-R110 IonicContact OE2-NE 3.62Å; E78-R110 IonicContact OE2-NH1 2.92Å; E78-R110 PolarHBondContact OE2-NH1 3.03Å; E78-R110 IonicContact OE2-NH2 3.78Å; E78-R110 PolarHBondContact OE2-NH2 3.48Å; R110-M137 WeakPolarHBondContact CA-O 3.43Å; R110-M137 HydrophobicContact CB-CB 3.73Å; R110-M137 HydrophobicContact CG-CB 3.9Å; R110-P139 HydrophobicContact CG-CG 4.27Å
111	V	98.9	Very high	97.1	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-78.3	168.4	174.3	-63.2	0	0	0	0	110.1	V109 D122 L123 I136 M137 L138 P139 F150	V109-V111 HydrophobicContact CG1-CG1 4.4Å; V111-D122 HydrophobicContact CB-CB 4.06Å; V111-D122 HydrophobicContact CG1-CB 3.94Å; V111-L123 HydrophobicContact CG1-CD2 4.49Å; V111-I136 HydrophobicContact CG1-CG2 4.05Å; V111-I136 HydrophobicContact CG2-CG2 4.24Å; V111-M137 WeakPolarHBondContact CG2-O 3.17Å; V111-M137 PolarHBondContact N-O 3.42Å; V111-M137 VanDerWaalsContact N-O 3.13Å; V111-L138 HydrophobicContact CG2-CD1 4.07Å; V111-P139 WeakPolarHBondContact O-CD 3.47Å; V111-P139 WeakPolarHBondContact O-CG 3.3Å; V111-F150 HydrophobicContact CG2-CE2 4.02Å
112	N	98.9	Very high	97.4	Very high	4 Å²	4	28 Å²	28	2%	0.021	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-67.5	158.9	167.4	-70.3	-86.6	0	0	0	111.2	C77 K86 S116 L118 A119 D122	C77-N112 PolarHBondContact O-ND2 2.88Å; C77-N112 PolarHBondContact O-OD1 3.2Å; K86-N112 WeakPolarHBondContact CE-OD1 3.4Å; K86-N112 PolarHBondContact NZ-OD1 2.75Å; N112-S116 WeakPolarHBondContact CB-OG 3.32Å; N112-L118 HydrophobicContact CB-CB 3.69Å; N112-A119 WeakPolarHBondContact O-CB 3.27Å; N112-D122 VanDerWaalsContact CB-OD2 3.32Å; N112-D122 WeakPolarHBondContact CB-OD2 3.32Å; N112-D122 PolarHBondContact N-OD2 2.87Å; N112-D122 PolarHBondContact ND2-OD2 3.42Å
113	S	98.7	Very high	97.6	Very high	5 Å²	5	27.4 Å²	27.4	4%	0.035	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-65.4	158.1	179.4	73.4	0	0	0	0	112.3	S115 S116	S113-S115 VanDerWaalsContact C-N 3.35Å; S113-S115 PolarHBondContact OG-OG 2.65Å; S113-S116 WeakPolarHBondContact O-CB 3.45Å; S113-S116 PolarHBondContact O-N 3.08Å; S113-S116 PolarHBondContact O-OG 2.87Å; S113-S116 WeakPolarHBondContact OG-CB 3.09Å; S113-S116 PolarHBondContact OG-N 2.85Å
114	V	98.7	Very high	97.9	Very high	22 Å²	22	28.8 Å²	28.8	13%	0.133	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-59.3	-48.7	173.7	178	0	0	0	0	110.5	S116 G117 L138 E146 W149 F150	V114-S116 PolarHBondContact O-N 2.84Å; V114-S116 VanDerWaalsContact O-N 3.15Å; V114-G117 PolarHBondContact O-N 3.21Å; V114-G117 VanDerWaalsContact O-N 3.1Å; V114-L138 HydrophobicContact CG2-CD1 4.13Å; V114-E146 HydrophobicContact CB-CB 4.02Å; V114-E146 HydrophobicContact CB-CG 4.01Å; V114-E146 HydrophobicContact CG1-CB 4.14Å; V114-E146 HydrophobicContact CG1-CG 3.99Å; V114-E146 HydrophobicContact CG2-CB 4.04Å; V114-W149 HydrophobicContact CB-CE3 4.14Å; V114-W149 HydrophobicContact CB-CZ3 4.37Å; V114-W149 HydrophobicContact CG1-CD2 3.84Å; V114-W149 HydrophobicContact CG1-CE3 3.51Å; V114-W149 HydrophobicContact CG1-CG 4.29Å; V114-W149 HydrophobicContact CG1-CZ3 4.04Å; V114-W149 HydrophobicContact CG2-CE3 3.67Å; V114-W149 HydrophobicContact CG2-CZ3 3.93Å; V114-F150 HydrophobicContact CG2-CB 4.27Å
115	S	97.8	Very high	98.3	Very high	78 Å²	78	25.8 Å²	25.8	55%	0.545	16%	0.161	S	C	.	.	G	3₁₀ helix	trans	-58.8	-22.6	177.5	50.7	0	0	0	0	115	S113 G117 E146	S113-S115 VanDerWaalsContact C-N 3.35Å; S113-S115 PolarHBondContact OG-OG 2.65Å; S115-G117 VanDerWaalsContact C-N 3.26Å; S115-G117 PolarHBondContact O-N 3.25Å; S115-E146 WeakPolarHBondContact CB-OE1 3.29Å; S115-E146 PolarHBondContact N-OE1 3.02Å
116	S	98	Very high	98.4	Very high	52 Å²	52	25.1 Å²	25.1	36%	0.364	16%	0.157	S	C	.	.	G	3₁₀ helix	trans	-70.7	-19.3	176.4	74.6	0	0	0	0	114	N112 S113 V114 L118	N112-S116 WeakPolarHBondContact CB-OG 3.32Å; S113-S116 WeakPolarHBondContact O-CB 3.45Å; S113-S116 PolarHBondContact O-N 3.08Å; S113-S116 PolarHBondContact O-OG 2.87Å; S113-S116 WeakPolarHBondContact OG-CB 3.09Å; S113-S116 PolarHBondContact OG-N 2.85Å; V114-S116 PolarHBondContact O-N 2.84Å; V114-S116 VanDerWaalsContact O-N 3.15Å; S116-L118 PolarHBondContact O-N 3.22Å; S116-L118 PolarHBondContact OG-N 3Å; S116-L118 VanDerWaalsContact OG-N 3.08Å
117	G	98.3	Very high	98.5	Very high	61 Å²	61	24.6 Å²	24.6	63%	0.629	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.5	0.9	-170.6	0	0	0	0	0	114.9	V114 S115	V114-G117 PolarHBondContact O-N 3.21Å; V114-G117 VanDerWaalsContact O-N 3.1Å; S115-G117 VanDerWaalsContact C-N 3.26Å; S115-G117 PolarHBondContact O-N 3.25Å
118	L	98.7	Very high	98.5	Very high	54 Å²	54	26.9 Å²	26.9	28%	0.283	17%	0.166	S	C	.	.			trans	-98.2	-16.8	-178.1	-63	175.7	0	0	0	113.9	K86 N112 S116 E120 A121 D122	K86-L118 HydrophobicContact CB-CD1 4.48Å; K86-L118 HydrophobicContact CD-CD1 4.38Å; K86-L118 HydrophobicContact CG-CD1 4.05Å; N112-L118 HydrophobicContact CB-CB 3.69Å; S116-L118 PolarHBondContact O-N 3.22Å; S116-L118 PolarHBondContact OG-N 3Å; S116-L118 VanDerWaalsContact OG-N 3.08Å; L118-E120 VanDerWaalsContact C-N 3.26Å; L118-E120 PolarHBondContact O-N 3.07Å; L118-A121 PolarHBondContact O-N 2.76Å; L118-A121 VanDerWaalsContact O-N 3.11Å; L118-D122 PolarHBondContact O-N 3.3Å
119	A	98.7	Very high	98.4	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-55.5	-38.2	-176.9	0	0	0	0	0	113.4	N112 D122 L123 W149	N112-A119 WeakPolarHBondContact O-CB 3.27Å; A119-D122 PolarHBondContact O-N 3.22Å; A119-L123 WeakPolarHBondContact O-CG 3.06Å; A119-L123 PolarHBondContact O-N 3.12Å; A119-W149 HydrophobicContact CB-CH2 3.89Å; A119-W149 HydrophobicContact CB-CZ3 3.77Å
120	E	98.6	Very high	98.2	Very high	35 Å²	35	35.5 Å²	35.5	16%	0.164	21%	0.207	C	C	.	.	H	α-helix	trans	-63.9	-44	179.3	175.4	60.5	-167.4	0	0	111.3	L118 D122 L123 Q124 W149 R153 N157	L118-E120 VanDerWaalsContact C-N 3.26Å; L118-E120 PolarHBondContact O-N 3.07Å; E120-D122 VanDerWaalsContact C-N 3.26Å; E120-D122 PolarHBondContact O-N 2.98Å; E120-L123 PolarHBondContact O-N 3.33Å; E120-Q124 HydrophobicContact CG-CG 4.45Å; E120-Q124 WeakPolarHBondContact O-CB 3.02Å; E120-Q124 VanDerWaalsContact O-CG 3.27Å; E120-Q124 WeakPolarHBondContact O-CG 3.46Å; E120-Q124 PolarHBondContact O-N 3.01Å; E120-Q124 PolarHBondContact OE1-NE2 2.78Å; E120-W149 HydrophobicContact CB-CH2 3.9Å; E120-W149 HydrophobicContact CB-CZ2 4.06Å; E120-R153 WeakPolarHBondContact OE2-CB 3.27Å; E120-R153 WeakPolarHBondContact OE2-CD 3.41Å; E120-R153 WeakPolarHBondContact OE2-CG 3.46Å; E120-N157 VanDerWaalsContact CD-ND2 3.32Å; E120-N157 PolarHBondContact OE1-ND2 3.34Å; E120-N157 PolarHBondContact OE2-ND2 3.43Å; E120-N157 VanDerWaalsContact OE2-ND2 3.15Å
121	A	98.8	Very high	98	Very high	29 Å²	29	37.6 Å²	37.6	24%	0.24	22%	0.222	C	C	.	.	H	α-helix	trans	-64.3	-35.6	178.3	0	0	0	0	0	111.2	R90 L118 V125	R90-A121 WeakPolarHBondContact CD-O 3.3Å; L118-A121 PolarHBondContact O-N 2.76Å; L118-A121 VanDerWaalsContact O-N 3.11Å; A121-V125 WeakPolarHBondContact O-CG2 3.42Å; A121-V125 PolarHBondContact O-N 3.32Å
122	D	98.8	Very high	97.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-67.5	-46.5	175.2	-58.7	-23.5	0	0	0	111.2	R90 V111 N112 L118 A119 E120 Q124 V125 V126	R90-D122 IonicContact CZ-OD1 3.08Å; R90-D122 IonicContact NE-OD1 2.64Å; R90-D122 PolarHBondContact NE-OD1 2.91Å; R90-D122 IonicContact NH2-OD1 2.7Å; R90-D122 PolarHBondContact NH2-OD1 3.21Å; V111-D122 HydrophobicContact CB-CB 4.06Å; V111-D122 HydrophobicContact CG1-CB 3.94Å; N112-D122 VanDerWaalsContact CB-OD2 3.32Å; N112-D122 WeakPolarHBondContact CB-OD2 3.32Å; N112-D122 PolarHBondContact N-OD2 2.87Å; N112-D122 PolarHBondContact ND2-OD2 3.42Å; L118-D122 PolarHBondContact O-N 3.3Å; A119-D122 PolarHBondContact O-N 3.22Å; E120-D122 VanDerWaalsContact C-N 3.26Å; E120-D122 PolarHBondContact O-N 2.98Å; D122-Q124 VanDerWaalsContact C-N 3.33Å; D122-Q124 PolarHBondContact O-N 2.59Å; D122-V125 PolarHBondContact O-N 3.19Å; D122-V126 WeakPolarHBondContact O-CB 3.05Å; D122-V126 VanDerWaalsContact O-CG2 3.31Å; D122-V126 WeakPolarHBondContact O-CG2 3.44Å; D122-V126 PolarHBondContact O-N 3.19Å
123	L	98.8	Very high	97.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-62.4	-38.5	177.6	-69.4	174.1	0	0	0	112.3	V111 A119 E120 V125 L127 F150 R153 F154 N157	V111-L123 HydrophobicContact CG1-CD2 4.49Å; A119-L123 WeakPolarHBondContact O-CG 3.06Å; A119-L123 PolarHBondContact O-N 3.12Å; E120-L123 PolarHBondContact O-N 3.33Å; L123-V125 PolarHBondContact O-N 2.71Å; L123-L127 HydrophobicContact CB-CD1 4.25Å; L123-L127 HydrophobicContact CD2-CD1 4.04Å; L123-L127 HydrophobicContact CD2-CG 4.32Å; L123-L127 VanDerWaalsContact O-CB 3.24Å; L123-L127 WeakPolarHBondContact O-CB 3.48Å; L123-L127 WeakPolarHBondContact O-CG 3.2Å; L123-L127 PolarHBondContact O-N 3.47Å; L123-L127 VanDerWaalsContact O-N 3.12Å; L123-F150 HydrophobicContact CD1-CD2 4.13Å; L123-F150 HydrophobicContact CD1-CE2 3.99Å; L123-F150 HydrophobicContact CD2-CE2 3.93Å; L123-F150 HydrophobicContact CD2-CZ 4.16Å; L123-F150 HydrophobicContact CG-CE2 4.35Å; L123-R153 HydrophobicContact CD1-CB 3.76Å; L123-F154 HydrophobicContact CD2-CD2 4.49Å; L123-N157 HydrophobicContact CB-CB 4.4Å
124	Q	98.5	Very high	97.7	Very high	95 Å²	95	40.5 Å²	40.5	44%	0.444	24%	0.239	S	C	.	.	H	α-helix	trans	-60.4	-31.1	176.9	-81.4	175.5	5.2	0	0	113.4	E120 D122 Q128 N157	E120-Q124 HydrophobicContact CG-CG 4.45Å; E120-Q124 WeakPolarHBondContact O-CB 3.02Å; E120-Q124 VanDerWaalsContact O-CG 3.27Å; E120-Q124 WeakPolarHBondContact O-CG 3.46Å; E120-Q124 PolarHBondContact O-N 3.01Å; E120-Q124 PolarHBondContact OE1-NE2 2.78Å; D122-Q124 VanDerWaalsContact C-N 3.33Å; D122-Q124 PolarHBondContact O-N 2.59Å; Q124-Q128 WeakPolarHBondContact O-CG 3.48Å; Q124-N157 WeakPolarHBondContact CG-OD1 2.96Å
125	V	98.6	Very high	97.7	Very high	26 Å²	26	39.4 Å²	39.4	16%	0.158	23%	0.233	C	C	.	.	H	α-helix	trans	-94.7	-52.7	-178.9	176.6	0	0	0	0	110.3	R90 A94 A121 D122 L123 L127 Q128 A129	R90-V125 HydrophobicContact CB-CB 4.36Å; R90-V125 HydrophobicContact CB-CG1 4.35Å; R90-V125 HydrophobicContact CG-CB 4.15Å; R90-V125 HydrophobicContact CG-CG1 4.19Å; R90-V125 HydrophobicContact CG-CG2 4.09Å; R90-V125 WeakPolarHBondContact O-CG1 3.24Å; A94-V125 HydrophobicContact CB-CG1 3.79Å; A121-V125 WeakPolarHBondContact O-CG2 3.42Å; A121-V125 PolarHBondContact O-N 3.32Å; D122-V125 PolarHBondContact O-N 3.19Å; L123-V125 PolarHBondContact O-N 2.71Å; V125-L127 PolarHBondContact O-N 3.35Å; V125-Q128 PolarHBondContact O-N 3.27Å; V125-Q128 VanDerWaalsContact O-N 3.08Å; V125-A129 PolarHBondContact O-N 2.77Å
126	V	98.3	Very high	97.8	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-63	-39.4	-174.6	173	0	0	0	0	112.2	I93 L97 V109 D122 Q128 A129 P133	I93-V126 HydrophobicContact CG2-CG2 4.3Å; L97-V126 HydrophobicContact CD1-CG1 4.22Å; V109-V126 HydrophobicContact CB-CG1 4.48Å; V109-V126 HydrophobicContact CG1-CG1 4.21Å; V109-V126 HydrophobicContact CG1-CG2 4.17Å; V109-V126 HydrophobicContact CG2-CG1 4.34Å; D122-V126 WeakPolarHBondContact O-CB 3.05Å; D122-V126 VanDerWaalsContact O-CG2 3.31Å; D122-V126 WeakPolarHBondContact O-CG2 3.44Å; D122-V126 PolarHBondContact O-N 3.19Å; V126-Q128 PolarHBondContact O-N 2.7Å; V126-A129 VanDerWaalsContact O-CB 3.23Å; V126-A129 WeakPolarHBondContact O-CB 3.34Å; V126-A129 PolarHBondContact O-N 3.05Å; V126-P133 HydrophobicContact CG1-CG 4.02Å
127	L	97.9	Very high	97.8	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.005	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-11.5	-179.8	-60	-179.2	0	0	0	113.5	L123 V125 L132 I136 F154 N157 R161	L123-L127 HydrophobicContact CB-CD1 4.25Å; L123-L127 HydrophobicContact CD2-CD1 4.04Å; L123-L127 HydrophobicContact CD2-CG 4.32Å; L123-L127 VanDerWaalsContact O-CB 3.24Å; L123-L127 WeakPolarHBondContact O-CB 3.48Å; L123-L127 WeakPolarHBondContact O-CG 3.2Å; L123-L127 PolarHBondContact O-N 3.47Å; L123-L127 VanDerWaalsContact O-N 3.12Å; V125-L127 PolarHBondContact O-N 3.35Å; L127-L132 HydrophobicContact CB-CD2 4.41Å; L127-L132 HydrophobicContact CD2-CD2 4.03Å; L127-L132 WeakPolarHBondContact O-CD2 3.39Å; L127-I136 HydrophobicContact CD2-CD1 3.96Å; L127-F154 HydrophobicContact CD1-CD2 3.74Å; L127-F154 HydrophobicContact CD1-CE2 4.15Å; L127-F154 HydrophobicContact CD1-CG 4.35Å; L127-F154 HydrophobicContact CD2-CD2 3.99Å; L127-F154 HydrophobicContact CD2-CE2 3.66Å; L127-N157 HydrophobicContact CD1-CB 3.79Å; L127-R161 PolarHBondContact O-NH1 2.85Å
128	Q	97.3	Very high	97.8	Very high	85 Å²	85	30.4 Å²	30.4	40%	0.397	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96	-4	175.3	-55.9	-62.5	-82	0	0	112.6	Q124 V125 V126 N157	Q124-Q128 WeakPolarHBondContact O-CG 3.48Å; V125-Q128 PolarHBondContact O-N 3.27Å; V125-Q128 VanDerWaalsContact O-N 3.08Å; V126-Q128 PolarHBondContact O-N 2.7Å; Q128-N157 PolarHBondContact NE2-O 3.33Å
129	A	96.7	Very high	97.8	Very high	7 Å²	7	27.9 Å²	27.9	6%	0.058	15%	0.147	C	C	.	.	S	Bend	trans	-56.1	150	172.6	0	0	0	0	0	111.5	A94 L97 V125 V126 V131 R161	A94-A129 HydrophobicContact CB-CB 3.91Å; A94-A129 WeakPolarHBondContact O-CB 3.44Å; L97-A129 HydrophobicContact CD1-CB 4.03Å; V125-A129 PolarHBondContact O-N 2.77Å; V126-A129 VanDerWaalsContact O-CB 3.23Å; V126-A129 WeakPolarHBondContact O-CB 3.34Å; V126-A129 PolarHBondContact O-N 3.05Å; A129-V131 WeakPolarHBondContact CB-O 3.5Å; A129-V131 PolarHBondContact O-N 2.92Å; A129-R161 PolarHBondContact O-NH1 3.31Å
130	E	94.8	Very high	97.8	Very high	174 Å²	174	29.5 Å²	29.5	81%	0.813	15%	0.154	S	C	*	.	S	Bend	trans	-55.9	-41.9	177.9	-175.4	179.7	174	0	0	111.4	R161	E130-R161 PolarHBondContact O-NH2 3.21Å
131	V	95.3	Very high	97.8	Very high	61 Å²	61	28.1 Å²	28.1	37%	0.37	15%	0.148	S	C	.	.	S	Bend	trans	-114	127	176.3	-179.6	0	0	0	0	109.2	L97 A129	L97-V131 WeakPolarHBondContact CB-O 3.43Å; A129-V131 WeakPolarHBondContact CB-O 3.5Å; A129-V131 PolarHBondContact O-N 2.92Å
132	L	96.8	Very high	97.8	Very high	27 Å²	27	29.9 Å²	29.9	14%	0.141	15%	0.151	C	C	.	.			trans	-75.2	148.3	173.4	-69	178.5	0	0	0	110.9	L127 L158 R161 L163	L127-L132 HydrophobicContact CB-CD2 4.41Å; L127-L132 HydrophobicContact CD2-CD2 4.03Å; L127-L132 WeakPolarHBondContact O-CD2 3.39Å; L132-L158 HydrophobicContact CD1-CD2 4.26Å; L132-R161 VanDerWaalsContact CG-CZ 3.45Å; L132-L163 HydrophobicContact CD1-CD2 3.32Å
133	P	96.9	Very high	97.8	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.006	16%	0.164	C	C	.	.			trans	-67	137.4	168.4	30.4	-33.4	0	0	0	109.9	L97 V109 V126 A135 I136	L97-P133 HydrophobicContact CD1-CB 4.48Å; L97-P133 HydrophobicContact CD1-CG 4.43Å; L97-P133 HydrophobicContact CD2-CB 3.92Å; V109-P133 HydrophobicContact CB-CB 4.3Å; V109-P133 HydrophobicContact CB-CG 4.27Å; V109-P133 HydrophobicContact CG2-CB 3.76Å; V109-P133 HydrophobicContact CG2-CG 3.98Å; V126-P133 HydrophobicContact CG1-CG 4.02Å; P133-A135 PolarHBondContact O-N 3.23Å; P133-I136 HydrophobicContact CG-CD1 4.36Å; P133-I136 HydrophobicContact CG-CG1 3.85Å
134	P	96.4	Very high	97.8	Very high	42 Å²	42	34.7 Å²	34.7	27%	0.273	18%	0.176	S	C	.	.	S	Bend	trans	-60.8	-22.1	171.8	24	-37.2	0	0	0	113.4	E106 K107 R168	E106-P134 HydrophobicContact CG-CG 3.97Å; K107-P134 HydrophobicContact CB-CG 4.46Å; K107-P134 WeakPolarHBondContact O-CD 3.41Å; K107-P134 WeakPolarHBondContact O-CG 3.46Å; P134-R168 WeakPolarHBondContact O-CB 3.19Å; P134-R168 PolarHBondContact O-N 3.41Å
135	A	98.1	Very high	97.8	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	141.7	178.5	0	0	0	0	0	112.7	C108 V109 P133 R168	C108-A135 WeakPolarHBondContact CA-O 3.48Å; C108-A135 VanDerWaalsContact SG-CB 3.58Å; V109-A135 PolarHBondContact N-O 3.41Å; P133-A135 PolarHBondContact O-N 3.23Å; A135-R168 CarbonylContact C-O 3.57Å; A135-R168 WeakPolarHBondContact CA-O 3.24Å; A135-R168 HydrophobicContact CB-CB 3.79Å
136	I	98.8	Very high	97.8	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	133.9	172	-61.5	173.4	0	0	0	109.1	V109 V111 L127 P133 F150 F154 V167 R168 L169 V170	V109-I136 CarbonylContact O-C 3.51Å; V109-I136 WeakPolarHBondContact O-CA 3.31Å; V111-I136 HydrophobicContact CG1-CG2 4.05Å; V111-I136 HydrophobicContact CG2-CG2 4.24Å; L127-I136 HydrophobicContact CD2-CD1 3.96Å; P133-I136 HydrophobicContact CG-CD1 4.36Å; P133-I136 HydrophobicContact CG-CG1 3.85Å; I136-F150 HydrophobicContact CG2-CZ 3.89Å; I136-F154 HydrophobicContact CD1-CD2 4.09Å; I136-F154 HydrophobicContact CD1-CE2 3.83Å; I136-V167 HydrophobicContact CD1-CG1 4.05Å; I136-V167 HydrophobicContact CG1-CG1 3.96Å; I136-R168 PolarHBondContact N-O 3.13Å; I136-L169 WeakPolarHBondContact O-CA 3.43Å; I136-V170 PolarHBondContact O-N 2.98Å
137	M	98.9	Very high	97.8	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	125.6	175.5	-82	-177.5	-171.1	0	0	110.3	V51 V74 C108 V109 R110 V111 V170 F172	V51-M137 HydrophobicContact CG1-CE 3.81Å; V74-M137 HydrophobicContact CB-SD 4.35Å; V74-M137 HydrophobicContact CG1-SD 3.8Å; V74-M137 HydrophobicContact CG2-CE 3.66Å; V74-M137 HydrophobicContact CG2-SD 3.55Å; V74-M137 VanDerWaalsContact CG2-SD 3.55Å; C108-M137 HydrophobicContact CB-CE 4.17Å; V109-M137 PolarHBondContact O-N 3.06Å; R110-M137 WeakPolarHBondContact CA-O 3.43Å; R110-M137 HydrophobicContact CB-CB 3.73Å; R110-M137 HydrophobicContact CG-CB 3.9Å; V111-M137 WeakPolarHBondContact CG2-O 3.17Å; V111-M137 PolarHBondContact N-O 3.42Å; V111-M137 VanDerWaalsContact N-O 3.13Å; M137-V170 CarbonylContact C-O 3.07Å; M137-V170 WeakPolarHBondContact CA-O 3.32Å; M137-V170 HydrophobicContact CE-CB 4.47Å; M137-V170 HydrophobicContact CE-CG1 4.18Å; M137-V170 HydrophobicContact CG-CB 3.82Å; M137-V170 HydrophobicContact CG-CG1 4.03Å; M137-F172 HydrophobicContact CB-CE2 3.75Å; M137-F172 HydrophobicContact CB-CZ 4.4Å; M137-F172 HydrophobicContact CG-CE2 3.89Å; M137-F172 HydrophobicContact CG-CZ 4.46Å; M137-F172 HydrophobicContact SD-CE2 3.98Å; M137-F172 HydrophobicContact SD-CZ 3.98Å
138	L	98.8	Very high	97.8	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	104.9	179.6	-176.8	61.9	0	0	0	110.2	V111 V114 V141 F150 L169 V170 F172	V111-L138 HydrophobicContact CG2-CD1 4.07Å; V114-L138 HydrophobicContact CG2-CD1 4.13Å; L138-V141 HydrophobicContact CB-CG2 4.31Å; L138-V141 HydrophobicContact CD2-CG2 3.69Å; L138-V141 HydrophobicContact CG-CG2 3.66Å; L138-F150 HydrophobicContact CD1-CD2 3.56Å; L138-F150 HydrophobicContact CD1-CE2 3.83Å; L138-F150 HydrophobicContact CD1-CG 4.2Å; L138-F150 HydrophobicContact CD2-CB 3.94Å; L138-F150 HydrophobicContact CD2-CD1 4.06Å; L138-F150 HydrophobicContact CD2-CD2 3.95Å; L138-F150 HydrophobicContact CD2-CG 3.69Å; L138-F150 HydrophobicContact CG-CD2 4.31Å; L138-L169 HydrophobicContact CB-CD1 4.03Å; L138-V170 PolarHBondContact N-O 3.3Å; L138-F172 WeakPolarHBondContact O-CD2 3.49Å; L138-F172 PolarHBondContact O-N 2.94Å
139	P	98.8	Very high	97.9	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.006	19%	0.191	C	C	.	.			trans	-78.9	162.6	-179.8	33	-34.1	0	0	0	112.2	E78 R110 V111 V141 F172 E174	E78-P139 HydrophobicContact CB-CG 4.37Å; E78-P139 HydrophobicContact CG-CG 3.89Å; R110-P139 HydrophobicContact CG-CG 4.27Å; V111-P139 WeakPolarHBondContact O-CD 3.47Å; V111-P139 WeakPolarHBondContact O-CG 3.3Å; P139-V141 VanDerWaalsContact C-N 3.31Å; P139-V141 PolarHBondContact O-N 3.05Å; P139-F172 HydrophobicContact CB-CG 4.37Å; P139-E174 WeakPolarHBondContact CA-OE1 3.48Å
140	K	98.4	Very high	98	Very high	35 Å²	35	39 Å²	39	15%	0.152	19%	0.188	C	C	.	.			trans	53.8	40.3	167.5	-59.8	171.5	170.5	58.1	0	113.8	E78 D79 E142 E174 D209	E78-K140 WeakPolarHBondContact OE1-CE 3.44Å; E78-K140 IonicContact OE1-NZ 3.39Å; E78-K140 PolarHBondContact OE1-NZ 3.1Å; E78-K140 IonicContact OE2-NZ 3.53Å; D79-K140 IonicContact OD1-NZ 3.44Å; D79-K140 IonicContact OD2-NZ 3.57Å; D79-K140 PolarHBondContact OD2-NZ 3.47Å; K140-E142 PolarHBondContact O-N 2.6Å; K140-E174 HydrophobicContact CB-CG 4.23Å; K140-E174 WeakPolarHBondContact CE-OE2 3.09Å; K140-E174 HydrophobicContact CG-CG 3.71Å; K140-E174 WeakPolarHBondContact CG-OE2 3.45Å; K140-E174 VanDerWaalsContact N-CD 3.29Å; K140-E174 PolarHBondContact N-OE1 3.41Å; K140-E174 IonicContact NZ-OE2 3.77Å; K140-E174 PolarHBondContact NZ-OE2 3.23Å; K140-D209 WeakPolarHBondContact CE-OD1 3.44Å; K140-D209 IonicContact NZ-OD1 3.93Å; K140-D209 PolarHBondContact NZ-OD1 3.39Å; K140-D209 IonicContact NZ-OD2 2.75Å; K140-D209 PolarHBondContact NZ-OD2 3.44Å; K140-D209 VanDerWaalsContact NZ-OD2 3.08Å
141	V	98.8	Very high	98.2	Very high	5 Å²	5	30.8 Å²	30.8	3%	0.03	15%	0.15	C	C	.	.			trans	-73.1	115.8	178	-176.4	0	0	0	0	110	L138 P139 E146 V147 T171 G178 V185	L138-V141 HydrophobicContact CB-CG2 4.31Å; L138-V141 HydrophobicContact CD2-CG2 3.69Å; L138-V141 HydrophobicContact CG-CG2 3.66Å; P139-V141 VanDerWaalsContact C-N 3.31Å; P139-V141 PolarHBondContact O-N 3.05Å; V141-E146 WeakPolarHBondContact CA-OE2 3.37Å; V141-V147 HydrophobicContact CG1-CG2 3.87Å; V141-T171 HydrophobicContact CG2-CG2 4.35Å; V141-G178 WeakPolarHBondContact O-CA 3.21Å; V141-V185 HydrophobicContact CG1-CG1 3.76Å; V141-V185 HydrophobicContact CG1-CG2 4.04Å
142	E	98.4	Very high	98.3	Very high	66 Å²	66	31.9 Å²	31.9	31%	0.308	15%	0.154	S	C	.	.			trans	-102	-33.1	-177	-59.8	-144	123.2	0	0	113.5	K140 E146 T175 V177 N181	K140-E142 PolarHBondContact O-N 2.6Å; E142-E146 PolarHBondContact N-OE2 2.91Å; E142-T175 WeakPolarHBondContact OE1-CB 3.23Å; E142-T175 WeakPolarHBondContact OE1-CG2 3.24Å; E142-T175 PolarHBondContact OE1-OG1 3.46Å; E142-V177 HydrophobicContact CB-CG1 4.25Å; E142-N181 VanDerWaalsContact O-CB 3.26Å; E142-N181 WeakPolarHBondContact O-CB 3.31Å; E142-N181 PolarHBondContact O-ND2 3.48Å
143	D	98.5	Very high	98.4	Very high	53 Å²	53	34.1 Å²	34.1	28%	0.283	16%	0.161	S	C	.	.	S	Bend	trans	-152.4	179.3	-174.3	71.2	36.8	0	0	0	114.5	H145 E146	D143-H145 VanDerWaalsContact C-N 3.3Å; D143-H145 PolarHBondContact O-N 3.42Å; D143-H145 VanDerWaalsContact OD1-CA 3.29Å; D143-H145 WeakPolarHBondContact OD1-CA 3.33Å; D143-H145 VanDerWaalsContact OD1-CB 3.24Å; D143-H145 WeakPolarHBondContact OD1-CB 3.14Å; D143-H145 IonicContact OD1-CD2 3.9Å; D143-H145 IonicContact OD1-CG 3.95Å; D143-H145 PolarHBondContact OD1-N 2.78Å; D143-E146 PolarHBondContact OD1-N 2.94Å
144	I	98.7	Very high	98.4	Very high	48 Å²	48	34 Å²	34	25%	0.246	16%	0.16	C	C	.	.	H	α-helix	trans	-71.9	-22.1	-179.6	64.3	171.8	0	0	0	113.3	K148 A184 E188	I144-K148 WeakPolarHBondContact O-CG 3.37Å; I144-K148 PolarHBondContact O-N 2.89Å; I144-K148 VanDerWaalsContact O-N 3.09Å; I144-A184 HydrophobicContact CG2-CB 4.02Å; I144-E188 HydrophobicContact CB-CB 4.21Å; I144-E188 HydrophobicContact CB-CG 4.08Å; I144-E188 HydrophobicContact CG2-CB 3.99Å; I144-E188 HydrophobicContact CG2-CG 4.41Å
145	H	98.6	Very high	98.5	Very high	126 Å²	126	36 Å²	36	58%	0.583	17%	0.166	S	C	*	.	H	α-helix	trans	-74.9	-39.2	-179.6	-61.4	-75.5	0	0	0	110.8	D143 V147 K148 W149	D143-H145 VanDerWaalsContact C-N 3.3Å; D143-H145 PolarHBondContact O-N 3.42Å; D143-H145 VanDerWaalsContact OD1-CA 3.29Å; D143-H145 WeakPolarHBondContact OD1-CA 3.33Å; D143-H145 VanDerWaalsContact OD1-CB 3.24Å; D143-H145 WeakPolarHBondContact OD1-CB 3.14Å; D143-H145 IonicContact OD1-CD2 3.9Å; D143-H145 IonicContact OD1-CG 3.95Å; D143-H145 PolarHBondContact OD1-N 2.78Å; H145-V147 VanDerWaalsContact C-N 3.32Å; H145-V147 PolarHBondContact O-N 3.15Å; H145-K148 PolarHBondContact O-N 3.34Å; H145-W149 WeakPolarHBondContact O-CB 3.26Å; H145-W149 PolarHBondContact O-N 2.93Å
146	E	98.7	Very high	98.4	Very high	22 Å²	22	41.2 Å²	41.2	10%	0.103	19%	0.19	C	C	.	.	H	α-helix	trans	-61.1	-41.6	173.3	-68.3	-166.4	139.2	0	0	111.8	V114 S115 V141 E142 D143 W149 F150	V114-E146 HydrophobicContact CB-CB 4.02Å; V114-E146 HydrophobicContact CB-CG 4.01Å; V114-E146 HydrophobicContact CG1-CB 4.14Å; V114-E146 HydrophobicContact CG1-CG 3.99Å; V114-E146 HydrophobicContact CG2-CB 4.04Å; S115-E146 WeakPolarHBondContact CB-OE1 3.29Å; S115-E146 PolarHBondContact N-OE1 3.02Å; V141-E146 WeakPolarHBondContact CA-OE2 3.37Å; E142-E146 PolarHBondContact N-OE2 2.91Å; D143-E146 PolarHBondContact OD1-N 2.94Å; E146-W149 PolarHBondContact O-N 3Å; E146-F150 WeakPolarHBondContact O-CB 3.09Å; E146-F150 PolarHBondContact O-N 3.41Å
147	V	98.3	Very high	98.4	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.006	19%	0.191	C	C	.	.	H	α-helix	trans	-62.2	-48.7	174.5	173.2	0	0	0	0	111.5	V141 H145 W149 F150 V151 V185 E188 I189 L192	V141-V147 HydrophobicContact CG1-CG2 3.87Å; H145-V147 VanDerWaalsContact C-N 3.32Å; H145-V147 PolarHBondContact O-N 3.15Å; V147-W149 VanDerWaalsContact C-N 3.3Å; V147-W149 PolarHBondContact O-N 2.88Å; V147-F150 PolarHBondContact O-N 3.3Å; V147-V151 HydrophobicContact CG1-CG2 4.27Å; V147-V151 WeakPolarHBondContact O-CG2 3.16Å; V147-V151 PolarHBondContact O-N 3.35Å; V147-V185 HydrophobicContact CG2-CG1 3.9Å; V147-E188 HydrophobicContact CG1-CG 4.43Å; V147-I189 HydrophobicContact CB-CG1 4.27Å; V147-I189 HydrophobicContact CG1-CB 4.37Å; V147-I189 HydrophobicContact CG1-CD1 4.38Å; V147-I189 HydrophobicContact CG1-CG1 3.36Å; V147-I189 HydrophobicContact CG2-CD1 4.09Å; V147-I189 HydrophobicContact CG2-CG1 3.87Å; V147-L192 HydrophobicContact CG1-CD1 4.08Å
148	K	98.6	Very high	98.3	Very high	68 Å²	68	42.2 Å²	42.2	30%	0.296	20%	0.195	S	C	.	.	H	α-helix	trans	-55.9	-49.3	177.9	-78.2	170.1	-175.1	171	0	110.9	I144 H145 F150 V151 D152 E188 L192	I144-K148 WeakPolarHBondContact O-CG 3.37Å; I144-K148 PolarHBondContact O-N 2.89Å; I144-K148 VanDerWaalsContact O-N 3.09Å; H145-K148 PolarHBondContact O-N 3.34Å; K148-F150 VanDerWaalsContact C-N 3.35Å; K148-F150 PolarHBondContact O-N 3.16Å; K148-V151 PolarHBondContact O-N 3.1Å; K148-D152 WeakPolarHBondContact O-CB 3.31Å; K148-D152 VanDerWaalsContact O-CG 3.25Å; K148-D152 PolarHBondContact O-N 2.74Å; K148-E188 WeakPolarHBondContact CE-OE1 3.48Å; K148-E188 WeakPolarHBondContact CE-OE2 3.34Å; K148-E188 HydrophobicContact CG-CG 4.34Å; K148-E188 IonicContact NZ-OE1 3.54Å; K148-E188 IonicContact NZ-OE2 3.07Å; K148-E188 PolarHBondContact NZ-OE2 3.47Å; K148-E188 VanDerWaalsContact NZ-OE2 3.07Å; K148-L192 HydrophobicContact CG-CD1 3.78Å
149	W	98.7	Very high	98	Very high	86 Å²	86	49.2 Å²	49.2	33%	0.326	23%	0.226	S	C	.	.	H	α-helix	trans	-57.6	-48.2	177.3	-178.5	94.3	0	0	0	111.4	V114 A119 E120 H145 E146 V147 V151 D152 R153	V114-W149 HydrophobicContact CB-CE3 4.14Å; V114-W149 HydrophobicContact CB-CZ3 4.37Å; V114-W149 HydrophobicContact CG1-CD2 3.84Å; V114-W149 HydrophobicContact CG1-CE3 3.51Å; V114-W149 HydrophobicContact CG1-CG 4.29Å; V114-W149 HydrophobicContact CG1-CZ3 4.04Å; V114-W149 HydrophobicContact CG2-CE3 3.67Å; V114-W149 HydrophobicContact CG2-CZ3 3.93Å; A119-W149 HydrophobicContact CB-CH2 3.89Å; A119-W149 HydrophobicContact CB-CZ3 3.77Å; E120-W149 HydrophobicContact CB-CH2 3.9Å; E120-W149 HydrophobicContact CB-CZ2 4.06Å; H145-W149 WeakPolarHBondContact O-CB 3.26Å; H145-W149 PolarHBondContact O-N 2.93Å; E146-W149 PolarHBondContact O-N 3Å; V147-W149 VanDerWaalsContact C-N 3.3Å; V147-W149 PolarHBondContact O-N 2.88Å; W149-V151 PolarHBondContact O-N 2.93Å; W149-D152 PolarHBondContact O-N 3.13Å; W149-R153 HydrophobicContact CD2-CG 3.78Å; W149-R153 HydrophobicContact CE3-CG 4.02Å; W149-R153 HydrophobicContact CG-CG 4.46Å; W149-R153 HydrophobicContact CH2-CB 4.43Å; W149-R153 HydrophobicContact CH2-CG 3.75Å; W149-R153 HydrophobicContact CZ2-CG 3.52Å; W149-R153 HydrophobicContact CZ3-CB 4.39Å; W149-R153 HydrophobicContact CZ3-CG 3.99Å; W149-R153 WeakPolarHBondContact O-CB 3.18Å; W149-R153 VanDerWaalsContact O-CG 3.31Å; W149-R153 WeakPolarHBondContact O-CG 3.4Å; W149-R153 PolarHBondContact O-N 2.87Å
150	F	98.8	Very high	97.6	Very high	1 Å²	1	52.7 Å²	52.7	0%	0.004	26%	0.262	C	S	.	.	H	α-helix	trans	-61.8	-44.8	-179.3	178.3	-92	0	0	0	111.8	V111 V114 L123 I136 L138 E146 V147 K148 R153 F154 L169 L198	V111-F150 HydrophobicContact CG2-CE2 4.02Å; V114-F150 HydrophobicContact CG2-CB 4.27Å; L123-F150 HydrophobicContact CD1-CD2 4.13Å; L123-F150 HydrophobicContact CD1-CE2 3.99Å; L123-F150 HydrophobicContact CD2-CE2 3.93Å; L123-F150 HydrophobicContact CD2-CZ 4.16Å; L123-F150 HydrophobicContact CG-CE2 4.35Å; I136-F150 HydrophobicContact CG2-CZ 3.89Å; L138-F150 HydrophobicContact CD1-CD2 3.56Å; L138-F150 HydrophobicContact CD1-CE2 3.83Å; L138-F150 HydrophobicContact CD1-CG 4.2Å; L138-F150 HydrophobicContact CD2-CB 3.94Å; L138-F150 HydrophobicContact CD2-CD1 4.06Å; L138-F150 HydrophobicContact CD2-CD2 3.95Å; L138-F150 HydrophobicContact CD2-CG 3.69Å; L138-F150 HydrophobicContact CG-CD2 4.31Å; E146-F150 WeakPolarHBondContact O-CB 3.09Å; E146-F150 PolarHBondContact O-N 3.41Å; V147-F150 PolarHBondContact O-N 3.3Å; K148-F150 VanDerWaalsContact C-N 3.35Å; K148-F150 PolarHBondContact O-N 3.16Å; F150-R153 PolarHBondContact O-N 2.85Å; F150-F154 VanDerWaalsContact O-CB 3.28Å; F150-F154 WeakPolarHBondContact O-CB 3.47Å; F150-F154 PolarHBondContact O-N 2.73Å; F150-L169 HydrophobicContact CD1-CD1 4.44Å; F150-L169 HydrophobicContact CE1-CD1 3.77Å; F150-L169 HydrophobicContact CZ-CD1 4.26Å; F150-L198 HydrophobicContact CE1-CD1 4.45Å
151	V	98.3	Very high	97.4	Very high	2 Å²	2	55.2 Å²	55.2	1%	0.012	27%	0.27	C	S	.	.	H	α-helix	trans	-61.8	-46.4	177.6	172.4	0	0	0	0	111.1	V147 K148 W149 R153 F154 Q155 L192 A196 L198	V147-V151 HydrophobicContact CG1-CG2 4.27Å; V147-V151 WeakPolarHBondContact O-CG2 3.16Å; V147-V151 PolarHBondContact O-N 3.35Å; K148-V151 PolarHBondContact O-N 3.1Å; W149-V151 PolarHBondContact O-N 2.93Å; V151-R153 VanDerWaalsContact C-N 3.33Å; V151-R153 PolarHBondContact O-N 3.09Å; V151-F154 PolarHBondContact O-N 2.85Å; V151-Q155 WeakPolarHBondContact O-CG 3.11Å; V151-Q155 PolarHBondContact O-N 3.21Å; V151-L192 HydrophobicContact CB-CD1 4.44Å; V151-L192 HydrophobicContact CG1-CB 4.23Å; V151-L192 HydrophobicContact CG2-CB 4.16Å; V151-L192 HydrophobicContact CG2-CD1 4.19Å; V151-A196 HydrophobicContact CG1-CB 3.42Å; V151-A196 VanDerWaalsContact CG1-CB 3.42Å; V151-L198 HydrophobicContact CG2-CD1 3.99Å
152	D	98.1	Very high	97.1	Very high	85 Å²	85	61 Å²	61	46%	0.455	31%	0.305	S	S	.	.	H	α-helix	trans	-60.9	-43.1	178.2	-72.3	-12.9	0	0	0	111.4	K148 W149 H156	K148-D152 WeakPolarHBondContact O-CB 3.31Å; K148-D152 VanDerWaalsContact O-CG 3.25Å; K148-D152 PolarHBondContact O-N 2.74Å; W149-D152 PolarHBondContact O-N 3.13Å; D152-H156 VanDerWaalsContact O-CB 3.27Å; D152-H156 WeakPolarHBondContact O-CB 3.18Å; D152-H156 PolarHBondContact O-N 2.7Å
153	R	98.4	Very high	96.9	Very high	73 Å²	73	59.8 Å²	59.8	28%	0.275	30%	0.301	S	S	.	.	H	α-helix	trans	-69.3	-38.9	177.7	-70.6	-50.6	90.1	-167.5	-0.1	112.7	E120 L123 W149 F150 V151 H156 N157	E120-R153 WeakPolarHBondContact OE2-CB 3.27Å; E120-R153 WeakPolarHBondContact OE2-CD 3.41Å; E120-R153 WeakPolarHBondContact OE2-CG 3.46Å; L123-R153 HydrophobicContact CD1-CB 3.76Å; W149-R153 HydrophobicContact CD2-CG 3.78Å; W149-R153 HydrophobicContact CE3-CG 4.02Å; W149-R153 HydrophobicContact CG-CG 4.46Å; W149-R153 HydrophobicContact CH2-CB 4.43Å; W149-R153 HydrophobicContact CH2-CG 3.75Å; W149-R153 HydrophobicContact CZ2-CG 3.52Å; W149-R153 HydrophobicContact CZ3-CB 4.39Å; W149-R153 HydrophobicContact CZ3-CG 3.99Å; W149-R153 WeakPolarHBondContact O-CB 3.18Å; W149-R153 VanDerWaalsContact O-CG 3.31Å; W149-R153 WeakPolarHBondContact O-CG 3.4Å; W149-R153 PolarHBondContact O-N 2.87Å; F150-R153 PolarHBondContact O-N 2.85Å; V151-R153 VanDerWaalsContact C-N 3.33Å; V151-R153 PolarHBondContact O-N 3.09Å; R153-H156 PolarHBondContact O-N 2.62Å; R153-N157 VanDerWaalsContact O-CB 3.31Å; R153-N157 WeakPolarHBondContact O-CB 3.36Å; R153-N157 PolarHBondContact O-N 3.29Å; R153-N157 PolarHBondContact O-ND2 3.08Å
154	F	98.4	Very high	96.4	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-58.4	-51.9	173.4	175	-92.7	0	0	0	110.4	L123 L127 I136 F150 V151 H156 N157 L158 L163 V167 A196 L198	L123-F154 HydrophobicContact CD2-CD2 4.49Å; L127-F154 HydrophobicContact CD1-CD2 3.74Å; L127-F154 HydrophobicContact CD1-CE2 4.15Å; L127-F154 HydrophobicContact CD1-CG 4.35Å; L127-F154 HydrophobicContact CD2-CD2 3.99Å; L127-F154 HydrophobicContact CD2-CE2 3.66Å; I136-F154 HydrophobicContact CD1-CD2 4.09Å; I136-F154 HydrophobicContact CD1-CE2 3.83Å; F150-F154 VanDerWaalsContact O-CB 3.28Å; F150-F154 WeakPolarHBondContact O-CB 3.47Å; F150-F154 PolarHBondContact O-N 2.73Å; V151-F154 PolarHBondContact O-N 2.85Å; F154-H156 PolarHBondContact O-N 3.24Å; F154-N157 PolarHBondContact O-N 3.08Å; F154-L158 HydrophobicContact CD1-CD1 3.99Å; F154-L158 HydrophobicContact CE1-CD1 3.47Å; F154-L158 VanDerWaalsContact CE1-CD1 3.47Å; F154-L158 HydrophobicContact CE1-CG 4.16Å; F154-L158 HydrophobicContact CZ-CD1 3.96Å; F154-L158 HydrophobicContact CZ-CD2 4.28Å; F154-L158 HydrophobicContact CZ-CG 4.3Å; F154-L158 WeakPolarHBondContact O-CG 3.15Å; F154-L158 PolarHBondContact O-N 3.44Å; F154-L163 HydrophobicContact CE1-CD1 4.33Å; F154-L163 HydrophobicContact CZ-CD1 4.3Å; F154-V167 HydrophobicContact CE2-CB 4.31Å; F154-V167 HydrophobicContact CE2-CG1 4.38Å; F154-V167 HydrophobicContact CE2-CG2 4.39Å; F154-V167 HydrophobicContact CZ-CB 3.96Å; F154-V167 HydrophobicContact CZ-CG2 3.94Å; F154-A196 VanDerWaalsContact CE1-O 3.31Å; F154-A196 WeakPolarHBondContact CE1-O 3.31Å; F154-L198 HydrophobicContact CD1-CD1 3.89Å; F154-L198 HydrophobicContact CD1-CD2 4.01Å; F154-L198 HydrophobicContact CD1-CG 3.82Å; F154-L198 HydrophobicContact CD2-CD2 4.13Å; F154-L198 HydrophobicContact CE1-CD1 4.32Å; F154-L198 HydrophobicContact CE1-CD2 3.73Å; F154-L198 HydrophobicContact CE1-CG 3.73Å; F154-L198 HydrophobicContact CE2-CD2 3.87Å; F154-L198 HydrophobicContact CG-CD1 4.15Å; F154-L198 HydrophobicContact CG-CD2 4.21Å; F154-L198 HydrophobicContact CG-CG 4.36Å; F154-L198 HydrophobicContact CZ-CD2 3.66Å; F154-L198 HydrophobicContact CZ-CG 4.2Å
155	Q	96.9	Very high	96.1	Very high	82 Å²	82	66.6 Å²	66.6	38%	0.383	34%	0.34	S	S	.	.	H	α-helix	trans	-61.9	-42.7	178.4	-70.1	-176.1	-71	0	0	112.6	V151 L158 R195 A196	V151-Q155 WeakPolarHBondContact O-CG 3.11Å; V151-Q155 PolarHBondContact O-N 3.21Å; Q155-L158 PolarHBondContact O-N 2.87Å; Q155-R195 PolarHBondContact NE2-O 3.01Å; Q155-A196 HydrophobicContact CG-CB 3.71Å
156	H	97.3	Very high	95.9	Very high	111 Å²	111	62.2 Å²	62.2	51%	0.514	32%	0.323	S	S	.	.	H	α-helix	trans	-60	-47.2	177.7	-178.3	72.5	0	0	0	111.8	D152 R153 F154 L158 K159	D152-H156 VanDerWaalsContact O-CB 3.27Å; D152-H156 WeakPolarHBondContact O-CB 3.18Å; D152-H156 PolarHBondContact O-N 2.7Å; R153-H156 PolarHBondContact O-N 2.62Å; F154-H156 PolarHBondContact O-N 3.24Å; H156-L158 VanDerWaalsContact C-N 3.31Å; H156-L158 PolarHBondContact O-N 2.75Å; H156-K159 PolarHBondContact O-N 3.05Å
157	N	98.1	Very high	95.8	Very high	4 Å²	4	61.6 Å²	61.6	2%	0.021	32%	0.321	C	S	.	.	H	α-helix	trans	-79.3	-8.7	-176.1	-75	-62.3	0	0	0	114.1	E120 L123 Q124 L127 Q128 R153 F154 K159	E120-N157 VanDerWaalsContact CD-ND2 3.32Å; E120-N157 PolarHBondContact OE1-ND2 3.34Å; E120-N157 PolarHBondContact OE2-ND2 3.43Å; E120-N157 VanDerWaalsContact OE2-ND2 3.15Å; L123-N157 HydrophobicContact CB-CB 4.4Å; Q124-N157 WeakPolarHBondContact CG-OD1 2.96Å; L127-N157 HydrophobicContact CD1-CB 3.79Å; Q128-N157 PolarHBondContact NE2-O 3.33Å; R153-N157 VanDerWaalsContact O-CB 3.31Å; R153-N157 WeakPolarHBondContact O-CB 3.36Å; R153-N157 PolarHBondContact O-N 3.29Å; R153-N157 PolarHBondContact O-ND2 3.08Å; F154-N157 PolarHBondContact O-N 3.08Å; N157-K159 PolarHBondContact O-N 2.99Å
158	L	96.4	Very high	95.8	Very high	17 Å²	17	61.9 Å²	61.9	9%	0.089	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-22.7	165.6	-77.5	172.3	0	0	0	112.6	L132 F154 Q155 H156 G160 R161 L163	L132-L158 HydrophobicContact CD1-CD2 4.26Å; F154-L158 HydrophobicContact CD1-CD1 3.99Å; F154-L158 HydrophobicContact CE1-CD1 3.47Å; F154-L158 VanDerWaalsContact CE1-CD1 3.47Å; F154-L158 HydrophobicContact CE1-CG 4.16Å; F154-L158 HydrophobicContact CZ-CD1 3.96Å; F154-L158 HydrophobicContact CZ-CD2 4.28Å; F154-L158 HydrophobicContact CZ-CG 4.3Å; F154-L158 WeakPolarHBondContact O-CG 3.15Å; F154-L158 PolarHBondContact O-N 3.44Å; Q155-L158 PolarHBondContact O-N 2.87Å; H156-L158 VanDerWaalsContact C-N 3.31Å; H156-L158 PolarHBondContact O-N 2.75Å; L158-G160 PolarHBondContact O-N 3.38Å; L158-G160 VanDerWaalsContact O-N 3.12Å; L158-R161 HydrophobicContact CD2-CB 4.45Å; L158-R161 WeakPolarHBondContact O-CB 3.32Å; L158-R161 PolarHBondContact O-N 2.94Å; L158-L163 HydrophobicContact CD1-CD1 4.01Å; L158-L163 HydrophobicContact CD1-CG 4.36Å; L158-L163 HydrophobicContact CD2-CD2 3.95Å
159	K	93.8	Very high	95.8	Very high	148 Å²	148	58.7 Å²	58.7	64%	0.643	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.2	40.4	178.7	-61.4	-175	-171.3	163	0	114.1	H156 N157 R161	H156-K159 PolarHBondContact O-N 3.05Å; N157-K159 PolarHBondContact O-N 2.99Å; K159-R161 VanDerWaalsContact C-N 3.28Å; K159-R161 PolarHBondContact O-N 3.34Å
160	G	89.8	Confident	95.8	Very high	74 Å²	74	54.6 Å²	54.6	76%	0.763	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.6	5.2	-179.8	0	0	0	0	0	115	L158 T162	L158-G160 PolarHBondContact O-N 3.38Å; L158-G160 VanDerWaalsContact O-N 3.12Å; G160-T162 PolarHBondContact O-N 3.17Å
161	R	94.5	Very high	95.8	Very high	87 Å²	87	54.6 Å²	54.6	33%	0.328	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-56.4	122	171.7	-176.8	173.8	-173.9	160.1	9.5	110	L127 A129 E130 L132 L158 K159	L127-R161 PolarHBondContact O-NH1 2.85Å; A129-R161 PolarHBondContact O-NH1 3.31Å; E130-R161 PolarHBondContact O-NH2 3.21Å; L132-R161 VanDerWaalsContact CG-CZ 3.45Å; L158-R161 HydrophobicContact CD2-CB 4.45Å; L158-R161 WeakPolarHBondContact O-CB 3.32Å; L158-R161 PolarHBondContact O-N 2.94Å; K159-R161 VanDerWaalsContact C-N 3.28Å; K159-R161 PolarHBondContact O-N 3.34Å
162	T	91.8	Very high	95.8	Very high	126 Å²	126	54.7 Å²	54.7	77%	0.773	29%	0.293	S	S	*	.	P	Polyproline II helix	trans	-72.6	130.3	175.2	-54.7	0	0	0	0	109.7	G160	G160-T162 PolarHBondContact O-N 3.17Å
163	L	93.7	Very high	95.8	Very high	42 Å²	42	50.8 Å²	50.8	22%	0.22	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-92.4	127.2	172.2	-61.6	-179.1	0	0	0	109.3	L132 F154 L158 V167 G197	L132-L163 HydrophobicContact CD1-CD2 3.32Å; F154-L163 HydrophobicContact CE1-CD1 4.33Å; F154-L163 HydrophobicContact CZ-CD1 4.3Å; L158-L163 HydrophobicContact CD1-CD1 4.01Å; L158-L163 HydrophobicContact CD1-CG 4.36Å; L158-L163 HydrophobicContact CD2-CD2 3.95Å; L163-V167 HydrophobicContact CD1-CG2 4.36Å; L163-V167 HydrophobicContact CD2-CG2 4.25Å; L163-G197 WeakPolarHBondContact CD1-O 3.06Å
164	T	88.4	Confident	95.8	Very high	147 Å²	147	47.3 Å²	47.3	90%	0.902	26%	0.259	S	S	*	.	S	Bend	trans	-78	-30.7	174.9	48	0	0	0	0	112
165	E	91.8	Very high	95.8	Very high	96 Å²	96	48.1 Å²	48.1	45%	0.449	26%	0.264	S	S	.	.	S	Bend	trans	-138.4	154.9	170.2	65.2	179.5	135.5	0	0	109.7	V167 R168	E165-V167 PolarHBondContact O-N 3.41Å; E165-R168 IonicContact OE2-NH1 2.87Å; E165-R168 PolarHBondContact OE2-NH1 2.87Å
166	P	94.8	Very high	95.9	Very high	35 Å²	35	45.7 Å²	45.7	23%	0.227	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-59.2	136.1	173.1	-22.3	33.7	0	0	0	111.6	L43 G197 H199	L43-P166 HydrophobicContact CD1-CB 4.41Å; L43-P166 HydrophobicContact CD1-CG 4.3Å; P166-G197 CarbonylContact C-O 3.29Å; P166-G197 VanDerWaalsContact CA-O 3.23Å; P166-G197 WeakPolarHBondContact CA-O 3.42Å; P166-H199 HydrophobicContact CB-CB 4Å
167	V	96.9	Very high	96	Very high	8 Å²	8	43.8 Å²	43.8	5%	0.048	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	129.5	170	176	0	0	0	0	108.2	I136 F154 L163 E165 G197 L198 H199	I136-V167 HydrophobicContact CD1-CG1 4.05Å; I136-V167 HydrophobicContact CG1-CG1 3.96Å; F154-V167 HydrophobicContact CE2-CB 4.31Å; F154-V167 HydrophobicContact CE2-CG1 4.38Å; F154-V167 HydrophobicContact CE2-CG2 4.39Å; F154-V167 HydrophobicContact CZ-CB 3.96Å; F154-V167 HydrophobicContact CZ-CG2 3.94Å; L163-V167 HydrophobicContact CD1-CG2 4.36Å; L163-V167 HydrophobicContact CD2-CG2 4.25Å; E165-V167 PolarHBondContact O-N 3.41Å; V167-G197 PolarHBondContact N-O 3.12Å; V167-L198 HydrophobicContact CB-CD2 4.11Å; V167-L198 HydrophobicContact CG1-CD2 4.36Å; V167-L198 CarbonylContact O-C 3.54Å; V167-L198 VanDerWaalsContact O-CA 3.25Å; V167-L198 WeakPolarHBondContact O-CA 3.46Å; V167-H199 PolarHBondContact O-N 3.36Å
168	R	97.9	Very high	96	Very high	8 Å²	8	43.6 Å²	43.6	3%	0.03	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	134	179.4	-68.1	164.6	172.9	79.2	-4.1	109.7	R44 P134 A135 I136 E165 H199 D201	R44-R168 PolarHBondContact O-NH2 3.18Å; P134-R168 WeakPolarHBondContact O-CB 3.19Å; P134-R168 PolarHBondContact O-N 3.41Å; A135-R168 CarbonylContact C-O 3.57Å; A135-R168 WeakPolarHBondContact CA-O 3.24Å; A135-R168 HydrophobicContact CB-CB 3.79Å; I136-R168 PolarHBondContact N-O 3.13Å; E165-R168 IonicContact OE2-NH1 2.87Å; E165-R168 PolarHBondContact OE2-NH1 2.87Å; R168-H199 CarbonylContact C-O 3.45Å; R168-H199 VanDerWaalsContact CA-O 3.31Å; R168-H199 WeakPolarHBondContact CA-O 3.33Å; R168-D201 HydrophobicContact CB-CB 3.93Å; R168-D201 WeakPolarHBondContact CD-OD2 3.45Å; R168-D201 HydrophobicContact CG-CB 3.97Å; R168-D201 IonicContact NE-OD2 2.69Å
169	L	98.5	Very high	96.1	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	127.3	172.7	179.1	60.9	0	0	0	108.3	I136 L138 F150 T171 I189 H199 H200 D201	I136-L169 WeakPolarHBondContact O-CA 3.43Å; L138-L169 HydrophobicContact CB-CD1 4.03Å; F150-L169 HydrophobicContact CD1-CD1 4.44Å; F150-L169 HydrophobicContact CE1-CD1 3.77Å; F150-L169 HydrophobicContact CZ-CD1 4.26Å; L169-T171 HydrophobicContact CD1-CG2 4.36Å; L169-T171 HydrophobicContact CD2-CG2 4.13Å; L169-T171 HydrophobicContact CG-CG2 3.99Å; L169-I189 HydrophobicContact CD2-CD1 4.42Å; L169-I189 HydrophobicContact CD2-CG2 3.96Å; L169-H199 PolarHBondContact N-O 3.44Å; L169-H200 WeakPolarHBondContact O-CA 3.46Å; L169-H200 PolarHBondContact O-CD2 3.28Å; L169-D201 PolarHBondContact O-N 3.1Å
170	V	98.8	Very high	96.4	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	114.8	172.5	175.3	0	0	0	0	108.1	I136 M137 L138 G202 V204	I136-V170 PolarHBondContact O-N 2.98Å; M137-V170 CarbonylContact C-O 3.07Å; M137-V170 WeakPolarHBondContact CA-O 3.32Å; M137-V170 HydrophobicContact CE-CB 4.47Å; M137-V170 HydrophobicContact CE-CG1 4.18Å; M137-V170 HydrophobicContact CG-CB 3.82Å; M137-V170 HydrophobicContact CG-CG1 4.03Å; L138-V170 PolarHBondContact N-O 3.3Å; V170-G202 WeakPolarHBondContact CA-O 3.37Å; V170-V204 HydrophobicContact CG1-CG2 3.67Å
171	T	98.8	Very high	96.8	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.006	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	160.3	-176.5	56.8	0	0	0	0	111.6	V141 L169 I189 H200 G202 V203 V204	V141-T171 HydrophobicContact CG2-CG2 4.35Å; L169-T171 HydrophobicContact CD1-CG2 4.36Å; L169-T171 HydrophobicContact CD2-CG2 4.13Å; L169-T171 HydrophobicContact CG-CG2 3.99Å; T171-I189 HydrophobicContact CG2-CD1 3.6Å; T171-H200 PolarHBondContact OG1-NE2 3.32Å; T171-H200 VanDerWaalsContact OG1-NE2 3.08Å; T171-G202 PolarHBondContact N-O 2.72Å; T171-V203 CarbonylContact O-C 3.57Å; T171-V203 WeakPolarHBondContact O-CA 3.4Å; T171-V204 PolarHBondContact O-N 3.45Å
172	F	98.8	Very high	97	Very high	3 Å²	3	37.1 Å²	37.1	1%	0.013	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	142.4	177.7	-71.5	-129.6	0	0	0	110.8	Y53 M137 L138 P139 E174 V204	Y53-F172 HydrophobicContact CE1-CZ 4.32Å; Y53-F172 WeakPolarHBondContact OH-CE1 3.49Å; Y53-F172 WeakPolarHBondContact OH-CZ 3.36Å; M137-F172 HydrophobicContact CB-CE2 3.75Å; M137-F172 HydrophobicContact CB-CZ 4.4Å; M137-F172 HydrophobicContact CG-CE2 3.89Å; M137-F172 HydrophobicContact CG-CZ 4.46Å; M137-F172 HydrophobicContact SD-CE2 3.98Å; M137-F172 HydrophobicContact SD-CZ 3.98Å; L138-F172 WeakPolarHBondContact O-CD2 3.49Å; L138-F172 PolarHBondContact O-N 2.94Å; P139-F172 HydrophobicContact CB-CG 4.37Å; F172-E174 HydrophobicContact CB-CG 4.44Å; F172-E174 WeakPolarHBondContact CB-OE1 3.47Å; F172-E174 WeakPolarHBondContact CD1-OE1 3.49Å; F172-E174 WeakPolarHBondContact CG-OE1 3.39Å; F172-V204 CarbonylContact C-O 3.47Å; F172-V204 WeakPolarHBondContact CA-O 3.49Å; F172-V204 HydrophobicContact CD1-CB 3.85Å; F172-V204 HydrophobicContact CD1-CG1 3.73Å; F172-V204 HydrophobicContact CD2-CB 3.92Å; F172-V204 HydrophobicContact CD2-CG2 4.23Å; F172-V204 HydrophobicContact CE1-CB 3.81Å; F172-V204 HydrophobicContact CE1-CG1 3.47Å; F172-V204 VanDerWaalsContact CE1-CG1 3.47Å; F172-V204 HydrophobicContact CE1-CG2 4.3Å; F172-V204 HydrophobicContact CE2-CB 3.84Å; F172-V204 HydrophobicContact CE2-CG1 4.36Å; F172-V204 HydrophobicContact CE2-CG2 3.73Å; F172-V204 HydrophobicContact CG-CB 3.89Å; F172-V204 HydrophobicContact CG-CG1 4.3Å; F172-V204 HydrophobicContact CZ-CB 3.8Å; F172-V204 HydrophobicContact CZ-CG1 3.81Å; F172-V204 HydrophobicContact CZ-CG2 3.78Å
173	V	98.8	Very high	97.3	Very high	3 Å²	3	36.4 Å²	36.4	2%	0.018	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	109.3	165.3	177.7	0	0	0	0	107.1	L179 F182 V203 V204 F205 G206 V232	V173-L179 HydrophobicContact CG1-CB 3.85Å; V173-L179 HydrophobicContact CG1-CD1 3.74Å; V173-L179 HydrophobicContact CG1-CG 4.42Å; V173-F182 HydrophobicContact CG2-CB 4.21Å; V173-F182 HydrophobicContact CG2-CD1 3.98Å; V173-F182 HydrophobicContact CG2-CD2 3.4Å; V173-F182 VanDerWaalsContact CG2-CD2 3.4Å; V173-F182 HydrophobicContact CG2-CE1 4.22Å; V173-F182 HydrophobicContact CG2-CE2 3.71Å; V173-F182 HydrophobicContact CG2-CG 3.6Å; V173-F182 HydrophobicContact CG2-CZ 4.13Å; V173-V203 HydrophobicContact CB-CG1 4.5Å; V173-V203 HydrophobicContact CG2-CG1 3.76Å; V173-V204 PolarHBondContact N-O 2.91Å; V173-F205 WeakPolarHBondContact O-CD2 3.3Å; V173-G206 PolarHBondContact O-N 2.8Å; V173-V232 HydrophobicContact CB-CG2 4.1Å; V173-V232 HydrophobicContact CG1-CG2 3.99Å
174	E	98.1	Very high	97.6	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	21%	0.206	C	C	.	.			trans	-147.9	6.8	-170.4	66.2	-173	97.9	0	0	113.6	P139 K140 F172 D209 F210	P139-E174 WeakPolarHBondContact CA-OE1 3.48Å; K140-E174 HydrophobicContact CB-CG 4.23Å; K140-E174 WeakPolarHBondContact CE-OE2 3.09Å; K140-E174 HydrophobicContact CG-CG 3.71Å; K140-E174 WeakPolarHBondContact CG-OE2 3.45Å; K140-E174 VanDerWaalsContact N-CD 3.29Å; K140-E174 PolarHBondContact N-OE1 3.41Å; K140-E174 IonicContact NZ-OE2 3.77Å; K140-E174 PolarHBondContact NZ-OE2 3.23Å; F172-E174 HydrophobicContact CB-CG 4.44Å; F172-E174 WeakPolarHBondContact CB-OE1 3.47Å; F172-E174 WeakPolarHBondContact CD1-OE1 3.49Å; F172-E174 WeakPolarHBondContact CG-OE1 3.39Å; E174-D209 HydrophobicContact CB-CB 3.89Å; E174-D209 HydrophobicContact CG-CB 4.2Å; E174-D209 CarbonylContact O-C 3.32Å; E174-D209 VanDerWaalsContact OE2-OD2 3.06Å; E174-F210 WeakPolarHBondContact O-CA 2.94Å; E174-F210 PolarHBondContact O-N 3.25Å
175	T	98.8	Very high	98	Very high	16 Å²	16	29.6 Å²	29.6	10%	0.098	16%	0.164	C	C	.	.	S	Bend	trans	-129.7	160.6	171.2	75.6	0	0	0	0	110.8	E142 V177 G178 L179 S213	E142-T175 WeakPolarHBondContact OE1-CB 3.23Å; E142-T175 WeakPolarHBondContact OE1-CG2 3.24Å; E142-T175 PolarHBondContact OE1-OG1 3.46Å; T175-V177 VanDerWaalsContact C-N 3.33Å; T175-V177 PolarHBondContact O-N 2.85Å; T175-G178 PolarHBondContact O-N 3.3Å; T175-G178 PolarHBondContact OG1-N 2.76Å; T175-L179 WeakPolarHBondContact O-CB 3.4Å; T175-L179 PolarHBondContact O-N 3.38Å; T175-S213 WeakPolarHBondContact CA-OG 3.34Å
176	A	98.6	Very high	98.4	Very high	31 Å²	31	25 Å²	25	26%	0.256	14%	0.143	S	C	.	.	H	α-helix	trans	-58.3	-46	176.5	0	0	0	0	0	111.4	L179 L180 S213 I214	A176-L179 PolarHBondContact O-N 2.75Å; A176-L180 WeakPolarHBondContact O-CG 3.44Å; A176-L180 PolarHBondContact O-N 2.88Å; A176-L180 VanDerWaalsContact O-N 3.12Å; A176-S213 PolarHBondContact N-OG 2.91Å; A176-I214 HydrophobicContact CB-CG2 3.86Å
177	V	98.6	Very high	98.6	Very high	71 Å²	71	26.4 Å²	26.4	43%	0.43	15%	0.146	S	C	.	.	H	α-helix	trans	-64.9	-46.4	177.2	171.1	0	0	0	0	110.6	E142 T175 L179 L180 N181	E142-V177 HydrophobicContact CB-CG1 4.25Å; T175-V177 VanDerWaalsContact C-N 3.33Å; T175-V177 PolarHBondContact O-N 2.85Å; V177-L179 VanDerWaalsContact C-N 3.29Å; V177-L179 PolarHBondContact O-N 2.8Å; V177-L180 PolarHBondContact O-N 3.27Å; V177-N181 WeakPolarHBondContact CG1-ND2 3.31Å; V177-N181 PolarHBondContact O-N 2.8Å
178	G	98.7	Very high	98.6	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.01	15%	0.149	C	C	.	.	H	α-helix	trans	-56.3	-42.3	175.8	0	0	0	0	0	112.4	V141 T175 L180 N181 F182	V141-G178 WeakPolarHBondContact O-CA 3.21Å; T175-G178 PolarHBondContact O-N 3.3Å; T175-G178 PolarHBondContact OG1-N 2.76Å; G178-L180 PolarHBondContact O-N 2.71Å; G178-N181 PolarHBondContact O-N 2.78Å; G178-F182 WeakPolarHBondContact O-CA 3.43Å; G178-F182 WeakPolarHBondContact O-CB 3.47Å; G178-F182 PolarHBondContact O-N 2.75Å
179	L	98.8	Very high	98.6	Very high	6 Å²	6	26.8 Å²	26.8	3%	0.031	15%	0.148	C	C	.	.	H	α-helix	trans	-65.9	-34.9	176.1	-176.6	67.6	0	0	0	112.8	V173 T175 A176 V177 F210 Y227 A228 K231 V232	V173-L179 HydrophobicContact CG1-CB 3.85Å; V173-L179 HydrophobicContact CG1-CD1 3.74Å; V173-L179 HydrophobicContact CG1-CG 4.42Å; T175-L179 WeakPolarHBondContact O-CB 3.4Å; T175-L179 PolarHBondContact O-N 3.38Å; A176-L179 PolarHBondContact O-N 2.75Å; V177-L179 VanDerWaalsContact C-N 3.29Å; V177-L179 PolarHBondContact O-N 2.8Å; L179-F210 HydrophobicContact CB-CE2 3.84Å; L179-F210 HydrophobicContact CD2-CE2 3.59Å; L179-F210 HydrophobicContact CD2-CZ 3.56Å; L179-F210 HydrophobicContact CG-CE2 4.3Å; L179-Y227 HydrophobicContact CD2-CD1 4.3Å; L179-Y227 HydrophobicContact CD2-CE1 3.97Å; L179-A228 HydrophobicContact CD2-CB 3.81Å; L179-K231 HydrophobicContact CD1-CB 4.21Å; L179-K231 HydrophobicContact CD1-CD 3.87Å; L179-K231 HydrophobicContact CD1-CG 4Å; L179-K231 HydrophobicContact CD2-CD 4.31Å; L179-K231 HydrophobicContact CG-CD 3.9Å; L179-K231 WeakPolarHBondContact O-CE 3.38Å; L179-K231 PolarHBondContact O-NZ 2.91Å; L179-V232 HydrophobicContact CD1-CG2 3.91Å
180	L	98.8	Very high	98.5	Very high	121 Å²	121	33 Å²	33	63%	0.634	17%	0.171	S	C	*	.	H	α-helix	trans	-71.1	-40.7	176.5	-68.1	179	0	0	0	111.7	A176 V177 G178	A176-L180 WeakPolarHBondContact O-CG 3.44Å; A176-L180 PolarHBondContact O-N 2.88Å; A176-L180 VanDerWaalsContact O-N 3.12Å; V177-L180 PolarHBondContact O-N 3.27Å; G178-L180 PolarHBondContact O-N 2.71Å
181	N	98.8	Very high	98.4	Very high	61 Å²	61	39.2 Å²	39.2	33%	0.326	20%	0.2	S	C	.	.	H	α-helix	trans	-85.3	-8	-178.7	-70	-20.2	0	0	0	114.1	E142 V177 G178 K183 A184 V185	E142-N181 VanDerWaalsContact O-CB 3.26Å; E142-N181 WeakPolarHBondContact O-CB 3.31Å; E142-N181 PolarHBondContact O-ND2 3.48Å; V177-N181 WeakPolarHBondContact CG1-ND2 3.31Å; V177-N181 PolarHBondContact O-N 2.8Å; G178-N181 PolarHBondContact O-N 2.78Å; N181-K183 VanDerWaalsContact C-N 3.3Å; N181-K183 PolarHBondContact O-N 2.98Å; N181-K183 VanDerWaalsContact O-N 3.08Å; N181-A184 WeakPolarHBondContact O-CA 3.47Å; N181-A184 WeakPolarHBondContact O-CB 3.25Å; N181-A184 PolarHBondContact O-N 2.82Å; N181-V185 PolarHBondContact O-N 2.9Å
182	F	98.6	Very high	98.3	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.009	21%	0.21	C	C	.	.	H	α-helix	trans	-49	-44.1	-169	179.3	-147.7	0	0	0	114.6	V173 G178 A184 V185 C186 V203 T235 T236	V173-F182 HydrophobicContact CG2-CB 4.21Å; V173-F182 HydrophobicContact CG2-CD1 3.98Å; V173-F182 HydrophobicContact CG2-CD2 3.4Å; V173-F182 VanDerWaalsContact CG2-CD2 3.4Å; V173-F182 HydrophobicContact CG2-CE1 4.22Å; V173-F182 HydrophobicContact CG2-CE2 3.71Å; V173-F182 HydrophobicContact CG2-CG 3.6Å; V173-F182 HydrophobicContact CG2-CZ 4.13Å; G178-F182 WeakPolarHBondContact O-CA 3.43Å; G178-F182 WeakPolarHBondContact O-CB 3.47Å; G178-F182 PolarHBondContact O-N 2.75Å; F182-A184 PolarHBondContact O-N 3Å; F182-V185 WeakPolarHBondContact O-CB 3.48Å; F182-V185 PolarHBondContact O-N 3.4Å; F182-C186 WeakPolarHBondContact CE2-SG 3.34Å; F182-C186 PolarHBondContact O-N 2.81Å; F182-V203 HydrophobicContact CE1-CG1 4.47Å; F182-V203 HydrophobicContact CE2-CB 4.25Å; F182-V203 HydrophobicContact CE2-CG1 3.71Å; F182-V203 HydrophobicContact CE2-CG2 3.69Å; F182-V203 HydrophobicContact CZ-CB 3.97Å; F182-V203 HydrophobicContact CZ-CG1 3.6Å; F182-V203 HydrophobicContact CZ-CG2 3.68Å; F182-T235 HydrophobicContact CD1-CG2 3.43Å; F182-T235 VanDerWaalsContact CD1-CG2 3.43Å; F182-T235 HydrophobicContact CE1-CG2 3.47Å; F182-T235 VanDerWaalsContact CE1-CG2 3.47Å; F182-T235 HydrophobicContact CG-CG2 4Å; F182-T235 HydrophobicContact CZ-CG2 4.03Å; F182-T236 WeakPolarHBondContact CZ-OG1 3.44Å
183	K	98.8	Very high	97.9	Very high	111 Å²	111	41.2 Å²	41.2	48%	0.483	21%	0.211	S	C	.	.	H	α-helix	trans	-60.8	-45.5	177.2	178.2	-177.3	170.6	-73.1	0	112.1	N181 V185 C186 E187 T235 F239	N181-K183 VanDerWaalsContact C-N 3.3Å; N181-K183 PolarHBondContact O-N 2.98Å; N181-K183 VanDerWaalsContact O-N 3.08Å; K183-V185 VanDerWaalsContact C-N 3.32Å; K183-C186 PolarHBondContact O-N 3.32Å; K183-E187 WeakPolarHBondContact CE-OE1 3.47Å; K183-E187 IonicContact NZ-OE1 2.63Å; K183-E187 PolarHBondContact NZ-OE1 2.97Å; K183-E187 IonicContact NZ-OE2 2.81Å; K183-E187 PolarHBondContact NZ-OE2 3.43Å; K183-E187 WeakPolarHBondContact O-CG 3.49Å; K183-E187 PolarHBondContact O-N 3.43Å; K183-T235 HydrophobicContact CB-CG2 4.14Å; K183-F239 HydrophobicContact CG-CE2 4.24Å; K183-F239 HydrophobicContact CG-CZ 4.13Å
184	A	98.8	Very high	97.4	Very high	41 Å²	41	45.9 Å²	45.9	34%	0.339	24%	0.241	S	C	.	.	H	α-helix	trans	-66.1	-38.2	-179.4	0	0	0	0	0	111.1	I144 N181 F182 E187 E188	I144-A184 HydrophobicContact CG2-CB 4.02Å; N181-A184 WeakPolarHBondContact O-CA 3.47Å; N181-A184 WeakPolarHBondContact O-CB 3.25Å; N181-A184 PolarHBondContact O-N 2.82Å; F182-A184 PolarHBondContact O-N 3Å; A184-E187 PolarHBondContact O-N 3.42Å; A184-E188 WeakPolarHBondContact O-CB 3.28Å; A184-E188 PolarHBondContact O-N 2.91Å
185	V	98.8	Very high	96.9	Very high	4 Å²	4	56.4 Å²	56.4	2%	0.024	28%	0.281	C	S	.	.	H	α-helix	trans	-57	-51.1	171.6	163.8	0	0	0	0	110.8	V141 V147 N181 F182 K183 E187 E188 I189	V141-V185 HydrophobicContact CG1-CG1 3.76Å; V141-V185 HydrophobicContact CG1-CG2 4.04Å; V147-V185 HydrophobicContact CG2-CG1 3.9Å; N181-V185 PolarHBondContact O-N 2.9Å; F182-V185 WeakPolarHBondContact O-CB 3.48Å; F182-V185 PolarHBondContact O-N 3.4Å; K183-V185 VanDerWaalsContact C-N 3.32Å; V185-E187 VanDerWaalsContact C-N 3.33Å; V185-E187 PolarHBondContact O-N 2.95Å; V185-E188 PolarHBondContact O-N 3.02Å; V185-I189 HydrophobicContact CG1-CD1 3.71Å; V185-I189 HydrophobicContact CG1-CG1 4.48Å; V185-I189 VanDerWaalsContact O-CG1 3.23Å; V185-I189 WeakPolarHBondContact O-CG1 3.4Å; V185-I189 PolarHBondContact O-N 3.42Å
186	C	98.6	Very high	96.6	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-59.1	-41	175.6	-76.1	0	0	0	0	113.2	F182 K183 R190 F239	F182-C186 WeakPolarHBondContact CE2-SG 3.34Å; F182-C186 PolarHBondContact O-N 2.81Å; K183-C186 PolarHBondContact O-N 3.32Å; C186-R190 WeakPolarHBondContact O-CB 3.33Å; C186-R190 PolarHBondContact O-N 3.36Å; C186-F239 HydrophobicContact CB-CD1 3.87Å; C186-F239 HydrophobicContact CB-CD2 3.52Å; C186-F239 HydrophobicContact CB-CE1 3.77Å; C186-F239 HydrophobicContact CB-CE2 3.45Å; C186-F239 VanDerWaalsContact CB-CE2 3.45Å; C186-F239 HydrophobicContact CB-CG 3.77Å; C186-F239 HydrophobicContact CB-CZ 3.59Å
187	E	98.6	Very high	96.4	Very high	64 Å²	64	55.4 Å²	55.4	30%	0.299	28%	0.277	S	S	.	.	H	α-helix	trans	-63.3	-43.9	178	-74.1	173.9	143.5	0	0	112	K183 A184 V185 R190 Q191 F239	K183-E187 WeakPolarHBondContact CE-OE1 3.47Å; K183-E187 IonicContact NZ-OE1 2.63Å; K183-E187 PolarHBondContact NZ-OE1 2.97Å; K183-E187 IonicContact NZ-OE2 2.81Å; K183-E187 PolarHBondContact NZ-OE2 3.43Å; K183-E187 WeakPolarHBondContact O-CG 3.49Å; K183-E187 PolarHBondContact O-N 3.43Å; A184-E187 PolarHBondContact O-N 3.42Å; V185-E187 VanDerWaalsContact C-N 3.33Å; V185-E187 PolarHBondContact O-N 2.95Å; E187-R190 PolarHBondContact O-N 3.49Å; E187-Q191 WeakPolarHBondContact O-CG 3.44Å; E187-Q191 PolarHBondContact O-N 3.01Å; E187-F239 HydrophobicContact CG-CE1 3.74Å; E187-F239 HydrophobicContact CG-CZ 3.69Å
188	E	98.5	Very high	96.3	Very high	25 Å²	25	52.2 Å²	52.2	12%	0.117	26%	0.257	C	S	.	.	H	α-helix	trans	-65.5	-48.2	178.1	-171.5	69.1	-134.7	0	0	111	I144 V147 K148 A184 V185 R190 Q191 L192	I144-E188 HydrophobicContact CB-CB 4.21Å; I144-E188 HydrophobicContact CB-CG 4.08Å; I144-E188 HydrophobicContact CG2-CB 3.99Å; I144-E188 HydrophobicContact CG2-CG 4.41Å; V147-E188 HydrophobicContact CG1-CG 4.43Å; K148-E188 WeakPolarHBondContact CE-OE1 3.48Å; K148-E188 WeakPolarHBondContact CE-OE2 3.34Å; K148-E188 HydrophobicContact CG-CG 4.34Å; K148-E188 IonicContact NZ-OE1 3.54Å; K148-E188 IonicContact NZ-OE2 3.07Å; K148-E188 PolarHBondContact NZ-OE2 3.47Å; K148-E188 VanDerWaalsContact NZ-OE2 3.07Å; A184-E188 WeakPolarHBondContact O-CB 3.28Å; A184-E188 PolarHBondContact O-N 2.91Å; V185-E188 PolarHBondContact O-N 3.02Å; E188-R190 VanDerWaalsContact C-N 3.28Å; E188-R190 PolarHBondContact O-N 3.23Å; E188-Q191 WeakPolarHBondContact O-CB 3.27Å; E188-Q191 PolarHBondContact O-N 2.84Å; E188-L192 HydrophobicContact CG-CD1 3.77Å; E188-L192 HydrophobicContact CG-CG 4.36Å; E188-L192 WeakPolarHBondContact O-CG 3.44Å; E188-L192 PolarHBondContact O-N 2.85Å
189	I	97.9	Very high	96.2	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-57.4	-43.5	177.3	-64.2	166	0	0	0	110.6	V147 L169 T171 V185 Q191 L192 S193 H200	V147-I189 HydrophobicContact CB-CG1 4.27Å; V147-I189 HydrophobicContact CG1-CB 4.37Å; V147-I189 HydrophobicContact CG1-CD1 4.38Å; V147-I189 HydrophobicContact CG1-CG1 3.36Å; V147-I189 HydrophobicContact CG2-CD1 4.09Å; V147-I189 HydrophobicContact CG2-CG1 3.87Å; L169-I189 HydrophobicContact CD2-CD1 4.42Å; L169-I189 HydrophobicContact CD2-CG2 3.96Å; T171-I189 HydrophobicContact CG2-CD1 3.6Å; V185-I189 HydrophobicContact CG1-CD1 3.71Å; V185-I189 HydrophobicContact CG1-CG1 4.48Å; V185-I189 VanDerWaalsContact O-CG1 3.23Å; V185-I189 WeakPolarHBondContact O-CG1 3.4Å; V185-I189 PolarHBondContact O-N 3.42Å; I189-Q191 PolarHBondContact O-N 2.93Å; I189-L192 PolarHBondContact O-N 2.84Å; I189-S193 WeakPolarHBondContact CG2-OG 3.21Å; I189-S193 WeakPolarHBondContact O-CB 3.48Å; I189-S193 PolarHBondContact O-N 3Å; I189-S193 PolarHBondContact O-OG 3.32Å; I189-H200 HydrophobicContact CG2-CB 3.57Å
190	R	96.3	Very high	96.2	Very high	132 Å²	132	55.6 Å²	55.6	50%	0.498	27%	0.272	S	S	.	.	H	α-helix	trans	-60.3	-32.8	178.3	-172.6	174.2	72.6	171.9	-0.6	112.6	C186 E187 E188 P194	C186-R190 WeakPolarHBondContact O-CB 3.33Å; C186-R190 PolarHBondContact O-N 3.36Å; E187-R190 PolarHBondContact O-N 3.49Å; E188-R190 VanDerWaalsContact C-N 3.28Å; E188-R190 PolarHBondContact O-N 3.23Å; R190-P194 WeakPolarHBondContact O-CD 3.37Å
191	Q	96.8	Very high	96.1	Very high	129 Å²	129	50.7 Å²	50.7	60%	0.603	25%	0.247	S	C	*	.	H	α-helix	trans	-76.9	-40.5	177.2	-68.8	178	18.8	0	0	112.3	E187 E188 I189	E187-Q191 WeakPolarHBondContact O-CG 3.44Å; E187-Q191 PolarHBondContact O-N 3.01Å; E188-Q191 WeakPolarHBondContact O-CB 3.27Å; E188-Q191 PolarHBondContact O-N 2.84Å; I189-Q191 PolarHBondContact O-N 2.93Å
192	L	95.9	Very high	96	Very high	43 Å²	43	47.9 Å²	47.9	23%	0.225	23%	0.232	C	C	.	.	H	α-helix	trans	-82.7	-41.2	-173.6	-64.2	175.7	0	0	0	113.5	V147 K148 V151 E188 I189 R195 A196	V147-L192 HydrophobicContact CG1-CD1 4.08Å; K148-L192 HydrophobicContact CG-CD1 3.78Å; V151-L192 HydrophobicContact CB-CD1 4.44Å; V151-L192 HydrophobicContact CG1-CB 4.23Å; V151-L192 HydrophobicContact CG2-CB 4.16Å; V151-L192 HydrophobicContact CG2-CD1 4.19Å; E188-L192 HydrophobicContact CG-CD1 3.77Å; E188-L192 HydrophobicContact CG-CG 4.36Å; E188-L192 WeakPolarHBondContact O-CG 3.44Å; E188-L192 PolarHBondContact O-N 2.85Å; I189-L192 PolarHBondContact O-N 2.84Å; L192-R195 PolarHBondContact O-N 3.36Å; L192-A196 PolarHBondContact O-N 2.72Å
193	S	89.8	Confident	96	Very high	4 Å²	4	47.8 Å²	47.8	3%	0.028	23%	0.231	C	C	.	.	H	α-helix	trans	-56.4	-45.1	-166.5	-62.5	0	0	0	0	115	I189 R195 A196 G197 L198	I189-S193 WeakPolarHBondContact CG2-OG 3.21Å; I189-S193 WeakPolarHBondContact O-CB 3.48Å; I189-S193 PolarHBondContact O-N 3Å; I189-S193 PolarHBondContact O-OG 3.32Å; S193-R195 VanDerWaalsContact C-N 3.25Å; S193-R195 PolarHBondContact O-N 2.88Å; S193-A196 PolarHBondContact O-N 3.39Å; S193-G197 PolarHBondContact O-N 2.75Å; S193-L198 CarbonylContact C-O 3.54Å; S193-L198 VanDerWaalsContact C-O 3.29Å; S193-L198 VanDerWaalsContact CB-O 3.3Å; S193-L198 WeakPolarHBondContact CB-O 3.44Å; S193-L198 PolarHBondContact O-N 3.24Å; S193-L198 VanDerWaalsContact O-O 3.07Å
194	P	87.9	Confident	96	Very high	100 Å²	100	42.5 Å²	42.5	65%	0.649	21%	0.208	S	C	*	.	H	α-helix	trans	-60.4	-32.9	-177.3	-24.9	35.3	0	0	0	113.9	R190	R190-P194 WeakPolarHBondContact O-CD 3.37Å
195	R	89.4	Confident	96	Very high	222 Å²	222	40.5 Å²	40.5	84%	0.838	19%	0.192	S	C	*	.	H	α-helix	trans	-80.7	-22.4	178.9	-63	-179.4	-177.8	172.7	1.6	112.6	Q155 L192 S193	Q155-R195 PolarHBondContact NE2-O 3.01Å; L192-R195 PolarHBondContact O-N 3.36Å; S193-R195 VanDerWaalsContact C-N 3.25Å; S193-R195 PolarHBondContact O-N 2.88Å
196	A	92.1	Very high	96	Very high	5 Å²	5	40.7 Å²	40.7	4%	0.041	20%	0.195	C	C	.	.	H	α-helix	trans	-90.6	-5.5	-179.3	0	0	0	0	0	114.2	V151 F154 Q155 L192 S193 L198	V151-A196 HydrophobicContact CG1-CB 3.42Å; V151-A196 VanDerWaalsContact CG1-CB 3.42Å; F154-A196 VanDerWaalsContact CE1-O 3.31Å; F154-A196 WeakPolarHBondContact CE1-O 3.31Å; Q155-A196 HydrophobicContact CG-CB 3.71Å; L192-A196 PolarHBondContact O-N 2.72Å; S193-A196 PolarHBondContact O-N 3.39Å; A196-L198 HydrophobicContact CB-CB 4.5Å; A196-L198 HydrophobicContact CB-CD1 4.1Å; A196-L198 HydrophobicContact CB-CG 4.28Å
197	G	94.8	Very high	95.8	Very high	22 Å²	22	40.7 Å²	40.7	23%	0.227	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.8	27.8	-170.4	0	0	0	0	0	112.3	L163 P166 V167 S193	L163-G197 WeakPolarHBondContact CD1-O 3.06Å; P166-G197 CarbonylContact C-O 3.29Å; P166-G197 VanDerWaalsContact CA-O 3.23Å; P166-G197 WeakPolarHBondContact CA-O 3.42Å; V167-G197 PolarHBondContact N-O 3.12Å; S193-G197 PolarHBondContact O-N 2.75Å
198	L	96.3	Very high	95.6	Very high	4 Å²	4	40.5 Å²	40.5	2%	0.021	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	158.4	173.3	-70.6	168	0	0	0	110.3	F150 V151 F154 V167 S193 A196	F150-L198 HydrophobicContact CE1-CD1 4.45Å; V151-L198 HydrophobicContact CG2-CD1 3.99Å; F154-L198 HydrophobicContact CD1-CD1 3.89Å; F154-L198 HydrophobicContact CD1-CD2 4.01Å; F154-L198 HydrophobicContact CD1-CG 3.82Å; F154-L198 HydrophobicContact CD2-CD2 4.13Å; F154-L198 HydrophobicContact CE1-CD1 4.32Å; F154-L198 HydrophobicContact CE1-CD2 3.73Å; F154-L198 HydrophobicContact CE1-CG 3.73Å; F154-L198 HydrophobicContact CE2-CD2 3.87Å; F154-L198 HydrophobicContact CG-CD1 4.15Å; F154-L198 HydrophobicContact CG-CD2 4.21Å; F154-L198 HydrophobicContact CG-CG 4.36Å; F154-L198 HydrophobicContact CZ-CD2 3.66Å; F154-L198 HydrophobicContact CZ-CG 4.2Å; V167-L198 HydrophobicContact CB-CD2 4.11Å; V167-L198 HydrophobicContact CG1-CD2 4.36Å; V167-L198 CarbonylContact O-C 3.54Å; V167-L198 VanDerWaalsContact O-CA 3.25Å; V167-L198 WeakPolarHBondContact O-CA 3.46Å; S193-L198 CarbonylContact C-O 3.54Å; S193-L198 VanDerWaalsContact C-O 3.29Å; S193-L198 VanDerWaalsContact CB-O 3.3Å; S193-L198 WeakPolarHBondContact CB-O 3.44Å; S193-L198 PolarHBondContact O-N 3.24Å; S193-L198 VanDerWaalsContact O-O 3.07Å; A196-L198 HydrophobicContact CB-CB 4.5Å; A196-L198 HydrophobicContact CB-CD1 4.1Å; A196-L198 HydrophobicContact CB-CG 4.28Å
199	H	96.5	Very high	95.5	Very high	63 Å²	63	41.8 Å²	41.8	29%	0.292	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	115.5	169.6	-179.6	72.8	0	0	0	110.4	L43 P166 V167 R168 L169 D201	L43-H199 HydrophobicContact CD1-CB 3.63Å; L43-H199 VanDerWaalsContact CD1-CD2 3.45Å; L43-H199 WeakPolarHBondContact CD1-CD2 3.37Å; P166-H199 HydrophobicContact CB-CB 4Å; V167-H199 PolarHBondContact O-N 3.36Å; R168-H199 CarbonylContact C-O 3.45Å; R168-H199 VanDerWaalsContact CA-O 3.31Å; R168-H199 WeakPolarHBondContact CA-O 3.33Å; L169-H199 PolarHBondContact N-O 3.44Å; H199-D201 IonicContact CD2-OD1 3.44Å; H199-D201 IonicContact NE2-OD1 3.22Å; H199-D201 PolarHBondContact O-N 3.15Å; H199-D201 VanDerWaalsContact O-N 3.12Å
200	H	97.4	Very high	95.6	Very high	15 Å²	15	42.3 Å²	42.3	7%	0.069	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	114.3	172.5	-159.8	-179.8	0	0	0	108.9	L169 T171 I189 G202 L241	L169-H200 WeakPolarHBondContact O-CA 3.46Å; L169-H200 PolarHBondContact O-CD2 3.28Å; T171-H200 PolarHBondContact OG1-NE2 3.32Å; T171-H200 VanDerWaalsContact OG1-NE2 3.08Å; I189-H200 HydrophobicContact CG2-CB 3.57Å; H200-G202 PolarHBondContact CD2-O 3.3Å; H200-G202 PolarHBondContact NE2-O 3.14Å; H200-L241 VanDerWaalsContact C-CD2 3.47Å; H200-L241 HydrophobicContact CB-CD2 3.92Å; H200-L241 VanDerWaalsContact CE1-CD1 3.42Å; H200-L241 WeakPolarHBondContact CE1-CD1 2.96Å; H200-L241 WeakPolarHBondContact ND1-CD1 3.4Å; H200-L241 WeakPolarHBondContact O-CD2 3.14Å
201	D	96.9	Very high	95.6	Very high	18 Å²	18	36.3 Å²	36.3	10%	0.096	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	-13	-171.4	-159.4	43.2	0	0	0	112.7	R48 R168 L169 H199 Q242	R48-D201 IonicContact CZ-OD2 3.32Å; R48-D201 IonicContact NH1-OD2 2.72Å; R48-D201 PolarHBondContact NH1-OD2 3.17Å; R48-D201 IonicContact NH2-OD2 3.75Å; R48-D201 PolarHBondContact NH2-OD2 3.02Å; R168-D201 HydrophobicContact CB-CB 3.93Å; R168-D201 WeakPolarHBondContact CD-OD2 3.45Å; R168-D201 HydrophobicContact CG-CB 3.97Å; R168-D201 IonicContact NE-OD2 2.69Å; L169-D201 PolarHBondContact O-N 3.1Å; H199-D201 IonicContact CD2-OD1 3.44Å; H199-D201 IonicContact NE2-OD1 3.22Å; H199-D201 PolarHBondContact O-N 3.15Å; H199-D201 VanDerWaalsContact O-N 3.12Å; D201-Q242 WeakPolarHBondContact O-CB 3.47Å; D201-Q242 PolarHBondContact O-N 3.47Å
202	G	97.8	Very high	95.7	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.01	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.9	169.4	178.2	0	0	0	0	0	114.9	V170 T171 H200 Q242	V170-G202 WeakPolarHBondContact CA-O 3.37Å; T171-G202 PolarHBondContact N-O 2.72Å; H200-G202 PolarHBondContact CD2-O 3.3Å; H200-G202 PolarHBondContact NE2-O 3.14Å; G202-Q242 CarbonylContact C-O 3.52Å; G202-Q242 WeakPolarHBondContact CA-O 3.44Å
203	V	98.8	Very high	95.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	132.1	175.4	-178.6	0	0	0	0	109.4	T171 V173 F182 V232 T236 L241 Q242 A243 I244	T171-V203 CarbonylContact O-C 3.57Å; T171-V203 WeakPolarHBondContact O-CA 3.4Å; V173-V203 HydrophobicContact CB-CG1 4.5Å; V173-V203 HydrophobicContact CG2-CG1 3.76Å; F182-V203 HydrophobicContact CE1-CG1 4.47Å; F182-V203 HydrophobicContact CE2-CB 4.25Å; F182-V203 HydrophobicContact CE2-CG1 3.71Å; F182-V203 HydrophobicContact CE2-CG2 3.69Å; F182-V203 HydrophobicContact CZ-CB 3.97Å; F182-V203 HydrophobicContact CZ-CG1 3.6Å; F182-V203 HydrophobicContact CZ-CG2 3.68Å; V203-V232 HydrophobicContact CG1-CG1 4.47Å; V203-T236 HydrophobicContact CB-CG2 4.12Å; V203-T236 HydrophobicContact CG2-CG2 4.22Å; V203-L241 HydrophobicContact CG2-CD1 3.99Å; V203-Q242 PolarHBondContact N-O 3.44Å; V203-A243 WeakPolarHBondContact O-CA 3.33Å; V203-I244 PolarHBondContact O-N 3.42Å
204	V	98.9	Very high	96.2	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	136.4	175.8	178.9	0	0	0	0	109.3	V170 T171 F172 V173 I244 Q273	V170-V204 HydrophobicContact CG1-CG2 3.67Å; T171-V204 PolarHBondContact O-N 3.45Å; F172-V204 CarbonylContact C-O 3.47Å; F172-V204 WeakPolarHBondContact CA-O 3.49Å; F172-V204 HydrophobicContact CD1-CB 3.85Å; F172-V204 HydrophobicContact CD1-CG1 3.73Å; F172-V204 HydrophobicContact CD2-CB 3.92Å; F172-V204 HydrophobicContact CD2-CG2 4.23Å; F172-V204 HydrophobicContact CE1-CB 3.81Å; F172-V204 HydrophobicContact CE1-CG1 3.47Å; F172-V204 VanDerWaalsContact CE1-CG1 3.47Å; F172-V204 HydrophobicContact CE1-CG2 4.3Å; F172-V204 HydrophobicContact CE2-CB 3.84Å; F172-V204 HydrophobicContact CE2-CG1 4.36Å; F172-V204 HydrophobicContact CE2-CG2 3.73Å; F172-V204 HydrophobicContact CG-CB 3.89Å; F172-V204 HydrophobicContact CG-CG1 4.3Å; F172-V204 HydrophobicContact CZ-CB 3.8Å; F172-V204 HydrophobicContact CZ-CG1 3.81Å; F172-V204 HydrophobicContact CZ-CG2 3.78Å; V173-V204 PolarHBondContact N-O 2.91Å; V204-I244 HydrophobicContact CB-CB 4.43Å; V204-I244 HydrophobicContact CG2-CB 3.92Å; V204-I244 HydrophobicContact CG2-CG1 4.16Å; V204-I244 HydrophobicContact CG2-CG2 4.39Å; V204-Q273 HydrophobicContact CG1-CG 3.83Å; V204-Q273 VanDerWaalsContact CG1-OE1 3.31Å
205	F	98.8	Very high	96.6	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	108.8	169.1	179.4	-125.3	0	0	0	110.5	V173 S207 F210 L225 A228 R229 V232 I244 L246 F269 Q273	V173-F205 WeakPolarHBondContact O-CD2 3.3Å; F205-S207 PolarHBondContact O-N 3.41Å; F205-F210 HydrophobicContact CE2-CB 4.07Å; F205-F210 HydrophobicContact CE2-CD1 4.23Å; F205-F210 HydrophobicContact CE2-CD2 4.22Å; F205-F210 AromaticContact CE2-CG 3.9Å; F205-F210 HydrophobicContact CE2-CG 3.9Å; F205-F210 HydrophobicContact CZ-CB 4.29Å; F205-F210 HydrophobicContact CZ-CD1 4.09Å; F205-F210 HydrophobicContact CZ-CG 4.16Å; F205-L225 HydrophobicContact CE1-CB 4.18Å; F205-L225 HydrophobicContact CE1-CD1 3.75Å; F205-L225 HydrophobicContact CE1-CG 4.46Å; F205-L225 HydrophobicContact CZ-CB 4.31Å; F205-L225 HydrophobicContact CZ-CD1 3.98Å; F205-L225 HydrophobicContact CZ-CD2 4.24Å; F205-L225 HydrophobicContact CZ-CG 4.43Å; F205-A228 HydrophobicContact CE2-CB 3.8Å; F205-A228 HydrophobicContact CZ-CB 3.66Å; F205-R229 HydrophobicContact CD1-CG 3.77Å; F205-R229 HydrophobicContact CE1-CG 3.56Å; F205-R229 HydrophobicContact CZ-CG 4.46Å; F205-V232 HydrophobicContact CB-CG1 4.3Å; F205-V232 HydrophobicContact CB-CG2 4.41Å; F205-V232 HydrophobicContact CD2-CG2 3.88Å; F205-V232 HydrophobicContact CG-CG2 4.34Å; F205-I244 PolarHBondContact N-O 3.45Å; F205-L246 HydrophobicContact CD1-CB 4.01Å; F205-L246 HydrophobicContact CD1-CD2 4.07Å; F205-L246 HydrophobicContact CE1-CB 4.43Å; F205-L246 HydrophobicContact CE1-CD2 4.03Å; F205-L246 WeakPolarHBondContact O-CA 3.45Å; F205-F269 HydrophobicContact CB-CE1 4.37Å; F205-Q273 PolarHBondContact O-NE2 2.86Å
206	G	97.6	Very high	97	Very high	7 Å²	7	27.2 Å²	27.2	7%	0.072	19%	0.185	C	C	.	.			trans	-85.7	95.6	176.9	0	0	0	0	0	110.8	V173 F210	V173-G206 PolarHBondContact O-N 2.8Å; G206-F210 WeakPolarHBondContact O-CB 3.41Å; G206-F210 PolarHBondContact O-N 2.96Å; G206-F210 VanDerWaalsContact O-N 3.14Å
207	S	95	Very high	97.1	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.007	22%	0.219	C	C	.	.	H	α-helix	trans	-66.1	-42.8	-171.9	43.9	0	0	0	0	114.8	F205 F210 C211 L225 L246	F205-S207 PolarHBondContact O-N 3.41Å; S207-F210 PolarHBondContact O-N 2.87Å; S207-C211 WeakPolarHBondContact O-CB 3.34Å; S207-C211 PolarHBondContact O-N 3.43Å; S207-C211 PolarHBondContact O-SG 2.93Å; S207-C211 VanDerWaalsContact O-SG 3.41Å; S207-L225 VanDerWaalsContact CB-CD1 3.45Å; S207-L246 WeakPolarHBondContact OG-CB 3.47Å
208	D	94.4	Very high	96.9	Very high	60 Å²	60	34.2 Å²	34.2	32%	0.321	22%	0.218	S	C	.	.	H	α-helix	trans	-77.4	-42.7	-166.8	-64.2	-97.9	0	0	0	110.6	F210 C211 A212 V247	D208-F210 VanDerWaalsContact C-N 3.29Å; D208-F210 PolarHBondContact O-N 3.39Å; D208-C211 WeakPolarHBondContact O-CB 3.18Å; D208-C211 PolarHBondContact O-N 2.58Å; D208-A212 PolarHBondContact O-N 2.94Å; D208-V247 WeakPolarHBondContact OD2-CG2 3.36Å
209	D	97.2	Very high	96.6	Very high	52 Å²	52	37 Å²	37	28%	0.278	24%	0.235	S	C	.	.	H	α-helix	trans	-59.1	-40	166	-75	-61.8	0	0	0	111.6	K140 E174 A212 S213	K140-D209 WeakPolarHBondContact CE-OD1 3.44Å; K140-D209 IonicContact NZ-OD1 3.93Å; K140-D209 PolarHBondContact NZ-OD1 3.39Å; K140-D209 IonicContact NZ-OD2 2.75Å; K140-D209 PolarHBondContact NZ-OD2 3.44Å; K140-D209 VanDerWaalsContact NZ-OD2 3.08Å; E174-D209 HydrophobicContact CB-CB 3.89Å; E174-D209 HydrophobicContact CG-CB 4.2Å; E174-D209 CarbonylContact O-C 3.32Å; E174-D209 VanDerWaalsContact OE2-OD2 3.06Å; D209-A212 WeakPolarHBondContact O-CB 3.47Å; D209-A212 PolarHBondContact O-N 2.64Å; D209-S213 WeakPolarHBondContact O-CB 3.04Å; D209-S213 PolarHBondContact O-N 3.39Å
210	F	98.4	Very high	96.1	Very high	10 Å²	10	42.1 Å²	42.1	4%	0.044	26%	0.256	C	S	.	.	H	α-helix	trans	-65.8	-44.5	178	-174.3	-92.9	0	0	0	111.5	E174 L179 F205 G206 S207 D208 A212 S213 I214 L225 A228	E174-F210 WeakPolarHBondContact O-CA 2.94Å; E174-F210 PolarHBondContact O-N 3.25Å; L179-F210 HydrophobicContact CB-CE2 3.84Å; L179-F210 HydrophobicContact CD2-CE2 3.59Å; L179-F210 HydrophobicContact CD2-CZ 3.56Å; L179-F210 HydrophobicContact CG-CE2 4.3Å; F205-F210 HydrophobicContact CE2-CB 4.07Å; F205-F210 HydrophobicContact CE2-CD1 4.23Å; F205-F210 HydrophobicContact CE2-CD2 4.22Å; F205-F210 AromaticContact CE2-CG 3.9Å; F205-F210 HydrophobicContact CE2-CG 3.9Å; F205-F210 HydrophobicContact CZ-CB 4.29Å; F205-F210 HydrophobicContact CZ-CD1 4.09Å; F205-F210 HydrophobicContact CZ-CG 4.16Å; G206-F210 WeakPolarHBondContact O-CB 3.41Å; G206-F210 PolarHBondContact O-N 2.96Å; G206-F210 VanDerWaalsContact O-N 3.14Å; S207-F210 PolarHBondContact O-N 2.87Å; D208-F210 VanDerWaalsContact C-N 3.29Å; D208-F210 PolarHBondContact O-N 3.39Å; F210-A212 VanDerWaalsContact C-N 3.31Å; F210-A212 PolarHBondContact O-N 2.88Å; F210-S213 WeakPolarHBondContact O-CB 3.46Å; F210-S213 PolarHBondContact O-N 3.46Å; F210-S213 VanDerWaalsContact O-N 3.14Å; F210-I214 HydrophobicContact CD1-CD1 4.21Å; F210-I214 HydrophobicContact CD1-CG1 4.42Å; F210-I214 HydrophobicContact CE1-CD1 3.74Å; F210-I214 HydrophobicContact CE1-CG1 4.26Å; F210-I214 HydrophobicContact CE1-CG2 3.98Å; F210-I214 HydrophobicContact CE2-CG2 4.29Å; F210-I214 HydrophobicContact CZ-CG2 3.85Å; F210-I214 WeakPolarHBondContact O-CG1 3.19Å; F210-I214 PolarHBondContact O-N 3.01Å; F210-L225 HydrophobicContact CD1-CD2 3.57Å; F210-L225 HydrophobicContact CE1-CD2 4Å; F210-A228 HydrophobicContact CD1-CB 4.2Å; F210-A228 HydrophobicContact CE1-CB 3.57Å; F210-A228 HydrophobicContact CE2-CB 4.35Å; F210-A228 HydrophobicContact CZ-CB 3.67Å
211	C	97.7	Very high	95.6	Very high	6 Å²	6	45.1 Å²	45.1	4%	0.041	27%	0.273	C	S	.	.	H	α-helix	trans	-56.2	-46.1	172.9	-80.6	0	0	0	0	111	S207 D208 S213 I214 G215 A216	S207-C211 WeakPolarHBondContact O-CB 3.34Å; S207-C211 PolarHBondContact O-N 3.43Å; S207-C211 PolarHBondContact O-SG 2.93Å; S207-C211 VanDerWaalsContact O-SG 3.41Å; D208-C211 WeakPolarHBondContact O-CB 3.18Å; D208-C211 PolarHBondContact O-N 2.58Å; C211-S213 VanDerWaalsContact C-N 3.32Å; C211-S213 PolarHBondContact O-N 3.14Å; C211-I214 PolarHBondContact O-N 2.83Å; C211-G215 PolarHBondContact O-N 3.36Å; C211-A216 HydrophobicContact CB-CB 4.45Å; C211-A216 PolarHBondContact O-N 3.2Å
212	A	97.6	Very high	95.3	Very high	76 Å²	76	44.3 Å²	44.3	63%	0.628	27%	0.268	S	S	*	.	H	α-helix	trans	-60.8	-42	175.7	0	0	0	0	0	111.8	D208 D209 F210 I214 G215	D208-A212 PolarHBondContact O-N 2.94Å; D209-A212 WeakPolarHBondContact O-CB 3.47Å; D209-A212 PolarHBondContact O-N 2.64Å; F210-A212 VanDerWaalsContact C-N 3.31Å; F210-A212 PolarHBondContact O-N 2.88Å; A212-I214 PolarHBondContact O-N 2.96Å; A212-G215 PolarHBondContact O-N 2.91Å
213	S	98.3	Very high	95.1	Very high	55 Å²	55	53.3 Å²	53.3	39%	0.385	30%	0.302	S	S	.	.	H	α-helix	trans	-63.9	-36.9	179.7	-175.9	0	0	0	0	113.5	T175 A176 D209 F210 C211	T175-S213 WeakPolarHBondContact CA-OG 3.34Å; A176-S213 PolarHBondContact N-OG 2.91Å; D209-S213 WeakPolarHBondContact O-CB 3.04Å; D209-S213 PolarHBondContact O-N 3.39Å; F210-S213 WeakPolarHBondContact O-CB 3.46Å; F210-S213 PolarHBondContact O-N 3.46Å; F210-S213 VanDerWaalsContact O-N 3.14Å; C211-S213 VanDerWaalsContact C-N 3.32Å; C211-S213 PolarHBondContact O-N 3.14Å
214	I	98	Very high	94.9	Very high	77 Å²	77	56 Å²	56	40%	0.395	32%	0.315	S	S	.	.	H	α-helix	trans	-96.1	-2.3	179.2	67.9	163.9	0	0	0	114	A176 F210 C211 A212 A216	A176-I214 HydrophobicContact CB-CG2 3.86Å; F210-I214 HydrophobicContact CD1-CD1 4.21Å; F210-I214 HydrophobicContact CD1-CG1 4.42Å; F210-I214 HydrophobicContact CE1-CD1 3.74Å; F210-I214 HydrophobicContact CE1-CG1 4.26Å; F210-I214 HydrophobicContact CE1-CG2 3.98Å; F210-I214 HydrophobicContact CE2-CG2 4.29Å; F210-I214 HydrophobicContact CZ-CG2 3.85Å; F210-I214 WeakPolarHBondContact O-CG1 3.19Å; F210-I214 PolarHBondContact O-N 3.01Å; C211-I214 PolarHBondContact O-N 2.83Å; A212-I214 PolarHBondContact O-N 2.96Å; I214-A216 VanDerWaalsContact C-N 3.34Å; I214-A216 HydrophobicContact CD1-CB 3.61Å; I214-A216 HydrophobicContact CG1-CB 3.65Å
215	G	97.7	Very high	94.9	Very high	70 Å²	70	56 Å²	56	72%	0.722	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.3	26.5	-175.4	0	0	0	0	0	114.3	C211 A212	C211-G215 PolarHBondContact O-N 3.36Å; A212-G215 PolarHBondContact O-N 2.91Å
216	A	97.1	Very high	94.8	Very high	29 Å²	29	59.4 Å²	59.4	24%	0.24	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-89.2	151.2	177.5	0	0	0	0	0	111.7	C211 I214 E224	C211-A216 HydrophobicContact CB-CB 4.45Å; C211-A216 PolarHBondContact O-N 3.2Å; I214-A216 VanDerWaalsContact C-N 3.34Å; I214-A216 HydrophobicContact CD1-CB 3.61Å; I214-A216 HydrophobicContact CG1-CB 3.65Å; A216-E224 HydrophobicContact CB-CG 4.31Å
217	T	94.3	Very high	94.8	Very high	124 Å²	124	66.1 Å²	66.1	76%	0.761	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-101.8	132.2	169.8	-60.7	0	0	0	0	109.5	T219	T217-T219 PolarHBondContact O-N 3.34Å
218	R	90.1	Very high	95	Very high	51 Å²	51	66.1 Å²	66.1	19%	0.192	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-65.5	126.4	-178.1	-161.7	75.2	-179.4	115.8	-2.2	111.3	E224	R218-E224 WeakPolarHBondContact CA-OE1 3.47Å; R218-E224 IonicContact CZ-OE1 2.76Å; R218-E224 IonicContact NH1-OE1 3.81Å; R218-E224 PolarHBondContact NH1-OE1 3.32Å
219	T	90.8	Very high	95.2	Very high	61 Å²	61	63.3 Å²	63.3	37%	0.374	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-102.8	162	171.2	71.1	0	0	0	0	110.8	T217 D221 A222 E224	T217-T219 PolarHBondContact O-N 3.34Å; T219-D221 VanDerWaalsContact C-N 3.31Å; T219-D221 PolarHBondContact O-N 3.04Å; T219-D221 PolarHBondContact OG1-OD1 3.48Å; T219-A222 PolarHBondContact O-N 3.02Å; T219-A222 PolarHBondContact OG1-N 3.45Å; T219-A222 VanDerWaalsContact OG1-N 3.17Å; T219-E224 WeakPolarHBondContact CB-OE2 3.48Å; T219-E224 WeakPolarHBondContact CG2-OE2 3.38Å; T219-E224 PolarHBondContact N-OE1 2.92Å; T219-E224 PolarHBondContact OG1-OE2 2.66Å
220	K	86	Confident	95.2	Very high	171 Å²	171	65.8 Å²	65.8	74%	0.743	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-36.5	178.5	-72.9	-167.3	172.8	-162.2	0	112.8	A222	K220-A222 VanDerWaalsContact C-N 3.34Å
221	D	85.6	Confident	95.3	Very high	78 Å²	78	67.5 Å²	67.5	42%	0.417	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	0.3	-178.2	71.2	-1.1	0	0	0	113.4	T219 R223	T219-D221 VanDerWaalsContact C-N 3.31Å; T219-D221 PolarHBondContact O-N 3.04Å; T219-D221 PolarHBondContact OG1-OD1 3.48Å; D221-R223 HydrophobicContact CB-CG 4.48Å; D221-R223 PolarHBondContact O-N 2.95Å; D221-R223 WeakPolarHBondContact OD1-CG 3.42Å; D221-R223 PolarHBondContact OD1-N 3.08Å; D221-R223 WeakPolarHBondContact OD2-CD 3.4Å; D221-R223 IonicContact OD2-CZ 3.34Å; D221-R223 IonicContact OD2-NE 3.68Å; D221-R223 PolarHBondContact OD2-NE 3.34Å; D221-R223 IonicContact OD2-NH2 3.18Å
222	A	91.8	Very high	95.3	Very high	1 Å²	1	67.2 Å²	67.2	1%	0.008	36%	0.357	C	S	.	.			trans	57.5	20	170.8	0	0	0	0	0	115.7	T219 K220 E224 L225	T219-A222 PolarHBondContact O-N 3.02Å; T219-A222 PolarHBondContact OG1-N 3.45Å; T219-A222 VanDerWaalsContact OG1-N 3.17Å; K220-A222 VanDerWaalsContact C-N 3.34Å; A222-E224 PolarHBondContact O-N 3.41Å; A222-L225 PolarHBondContact O-N 3.42Å
223	R	92.9	Very high	95.3	Very high	191 Å²	191	64.1 Å²	64.1	72%	0.721	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-60	-33.6	-175.2	-74.7	179.9	-171.6	-168.5	2.2	113.1	D221 L225 L226	D221-R223 HydrophobicContact CB-CG 4.48Å; D221-R223 PolarHBondContact O-N 2.95Å; D221-R223 WeakPolarHBondContact OD1-CG 3.42Å; D221-R223 PolarHBondContact OD1-N 3.08Å; D221-R223 WeakPolarHBondContact OD2-CD 3.4Å; D221-R223 IonicContact OD2-CZ 3.34Å; D221-R223 IonicContact OD2-NE 3.68Å; D221-R223 PolarHBondContact OD2-NE 3.34Å; D221-R223 IonicContact OD2-NH2 3.18Å; R223-L225 PolarHBondContact O-N 3.49Å; R223-L225 VanDerWaalsContact O-N 3.12Å; R223-L226 WeakPolarHBondContact O-CB 3.39Å; R223-L226 PolarHBondContact O-N 2.79Å; R223-L226 VanDerWaalsContact O-N 3.08Å
224	E	95.6	Very high	95.3	Very high	55 Å²	55	66.4 Å²	66.4	26%	0.257	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-60.3	-18.7	175.6	71.4	-73.2	171.6	0	0	113.3	A216 R218 T219 A222	A216-E224 HydrophobicContact CB-CG 4.31Å; R218-E224 WeakPolarHBondContact CA-OE1 3.47Å; R218-E224 IonicContact CZ-OE1 2.76Å; R218-E224 IonicContact NH1-OE1 3.81Å; R218-E224 PolarHBondContact NH1-OE1 3.32Å; T219-E224 WeakPolarHBondContact CB-OE2 3.48Å; T219-E224 WeakPolarHBondContact CG2-OE2 3.38Å; T219-E224 PolarHBondContact N-OE1 2.92Å; T219-E224 PolarHBondContact OG1-OE2 2.66Å; A222-E224 PolarHBondContact O-N 3.41Å
225	L	97.3	Very high	95.4	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-103.7	1.8	177.9	-60.5	-168.7	0	0	0	114.1	F205 S207 F210 A222 R223 Y227 A228 R229 L246	F205-L225 HydrophobicContact CE1-CB 4.18Å; F205-L225 HydrophobicContact CE1-CD1 3.75Å; F205-L225 HydrophobicContact CE1-CG 4.46Å; F205-L225 HydrophobicContact CZ-CB 4.31Å; F205-L225 HydrophobicContact CZ-CD1 3.98Å; F205-L225 HydrophobicContact CZ-CD2 4.24Å; F205-L225 HydrophobicContact CZ-CG 4.43Å; S207-L225 VanDerWaalsContact CB-CD1 3.45Å; F210-L225 HydrophobicContact CD1-CD2 3.57Å; F210-L225 HydrophobicContact CE1-CD2 4Å; A222-L225 PolarHBondContact O-N 3.42Å; R223-L225 PolarHBondContact O-N 3.49Å; R223-L225 VanDerWaalsContact O-N 3.12Å; L225-Y227 PolarHBondContact O-N 3.25Å; L225-A228 PolarHBondContact O-N 3.33Å; L225-A228 VanDerWaalsContact O-N 3.16Å; L225-R229 HydrophobicContact CB-CG 4.28Å; L225-R229 WeakPolarHBondContact O-CB 3.38Å; L225-R229 WeakPolarHBondContact O-CG 3.48Å; L225-R229 PolarHBondContact O-N 2.94Å; L225-L246 HydrophobicContact CD1-CD2 4.35Å
226	L	97.2	Very high	95.4	Very high	72 Å²	72	60.4 Å²	60.4	38%	0.377	30%	0.295	S	S	.	.	H	α-helix	trans	-56.7	-48.1	-174.3	179.8	61.6	0	0	0	112.3	R223 A228 R229 Q230 M267	R223-L226 WeakPolarHBondContact O-CB 3.39Å; R223-L226 PolarHBondContact O-N 2.79Å; R223-L226 VanDerWaalsContact O-N 3.08Å; L226-A228 PolarHBondContact O-N 3.14Å; L226-R229 PolarHBondContact O-N 2.98Å; L226-Q230 HydrophobicContact CD1-CG 4.17Å; L226-Q230 WeakPolarHBondContact O-CB 3.44Å; L226-Q230 WeakPolarHBondContact O-CG 3.39Å; L226-Q230 PolarHBondContact O-N 3.19Å; L226-M267 HydrophobicContact CD1-SD 4.29Å
227	Y	98.3	Very high	95.3	Very high	148 Å²	148	62.7 Å²	62.7	58%	0.58	30%	0.299	S	S	*	.	H	α-helix	trans	-59	-48.3	177.1	169.4	-98.8	0	0	0	111.8	L179 L225 Q230 K231	L179-Y227 HydrophobicContact CD2-CD1 4.3Å; L179-Y227 HydrophobicContact CD2-CE1 3.97Å; L225-Y227 PolarHBondContact O-N 3.25Å; Y227-Q230 PolarHBondContact O-N 3.02Å; Y227-K231 HydrophobicContact CE1-CD 4.06Å; Y227-K231 VanDerWaalsContact O-CB 3.29Å; Y227-K231 WeakPolarHBondContact O-CB 3.45Å; Y227-K231 PolarHBondContact O-N 3.2Å; Y227-K231 WeakPolarHBondContact OH-CD 3.21Å
228	A	98.6	Very high	95.3	Very high	2 Å²	2	59.3 Å²	59.3	2%	0.017	28%	0.284	C	S	.	.	H	α-helix	trans	-63.4	-46.7	-177.8	0	0	0	0	0	111.3	L179 F205 F210 L225 L226 Q230 K231 V232	L179-A228 HydrophobicContact CD2-CB 3.81Å; F205-A228 HydrophobicContact CE2-CB 3.8Å; F205-A228 HydrophobicContact CZ-CB 3.66Å; F210-A228 HydrophobicContact CD1-CB 4.2Å; F210-A228 HydrophobicContact CE1-CB 3.57Å; F210-A228 HydrophobicContact CE2-CB 4.35Å; F210-A228 HydrophobicContact CZ-CB 3.67Å; L225-A228 PolarHBondContact O-N 3.33Å; L225-A228 VanDerWaalsContact O-N 3.16Å; L226-A228 PolarHBondContact O-N 3.14Å; A228-Q230 PolarHBondContact O-N 3.01Å; A228-K231 PolarHBondContact O-N 3.18Å; A228-V232 WeakPolarHBondContact O-CB 3.41Å; A228-V232 VanDerWaalsContact O-CG2 3.31Å; A228-V232 WeakPolarHBondContact O-CG2 3.45Å; A228-V232 PolarHBondContact O-N 3.12Å
229	R	98.5	Very high	95.5	Very high	1 Å²	1	59 Å²	59	0%	0.004	28%	0.284	C	S	.	.	H	α-helix	trans	-57.4	-50.7	176.6	-72.8	171.8	82.4	-165	2.8	111.7	F205 L225 L226 K231 V232 V233 D245 L246 E263 M267 F269	F205-R229 HydrophobicContact CD1-CG 3.77Å; F205-R229 HydrophobicContact CE1-CG 3.56Å; F205-R229 HydrophobicContact CZ-CG 4.46Å; L225-R229 HydrophobicContact CB-CG 4.28Å; L225-R229 WeakPolarHBondContact O-CB 3.38Å; L225-R229 WeakPolarHBondContact O-CG 3.48Å; L225-R229 PolarHBondContact O-N 2.94Å; L226-R229 PolarHBondContact O-N 2.98Å; R229-K231 PolarHBondContact O-N 2.7Å; R229-V232 PolarHBondContact O-N 3.19Å; R229-V233 WeakPolarHBondContact O-CG2 2.97Å; R229-V233 PolarHBondContact O-N 3.1Å; R229-D245 IonicContact CZ-OD2 3.2Å; R229-D245 IonicContact NE-OD1 2.73Å; R229-D245 PolarHBondContact NE-OD1 3.09Å; R229-D245 IonicContact NE-OD2 3.35Å; R229-D245 IonicContact NH2-OD1 3.3Å; R229-D245 IonicContact NH2-OD2 2.64Å; R229-D245 PolarHBondContact NH2-OD2 3.3Å; R229-L246 VanDerWaalsContact CD-CD2 3.49Å; R229-L246 HydrophobicContact CG-CD2 4.01Å; R229-E263 IonicContact CZ-OE2 3.61Å; R229-E263 IonicContact NH1-OE1 3.25Å; R229-E263 IonicContact NH1-OE2 3.67Å; R229-E263 PolarHBondContact NH1-OE2 3.04Å; R229-E263 IonicContact NH2-OE2 3.63Å; R229-E263 PolarHBondContact NH2-OE2 3.39Å; R229-M267 HydrophobicContact CB-SD 4.42Å; R229-M267 VanDerWaalsContact NH2-CE 3.27Å; R229-F269 HydrophobicContact CB-CE2 3.98Å; R229-F269 HydrophobicContact CB-CZ 4.04Å; R229-F269 HydrophobicContact CG-CE2 4.4Å; R229-F269 HydrophobicContact CG-CZ 4.29Å
230	Q	98.5	Very high	95.6	Very high	103 Å²	103	58.8 Å²	58.8	48%	0.481	30%	0.295	S	S	.	.	H	α-helix	trans	-65.7	-40.1	-179.7	-72.3	-172	-29.2	0	0	112.4	L226 Y227 A228 V233 V234 M267	L226-Q230 HydrophobicContact CD1-CG 4.17Å; L226-Q230 WeakPolarHBondContact O-CB 3.44Å; L226-Q230 WeakPolarHBondContact O-CG 3.39Å; L226-Q230 PolarHBondContact O-N 3.19Å; Y227-Q230 PolarHBondContact O-N 3.02Å; A228-Q230 PolarHBondContact O-N 3.01Å; Q230-V233 PolarHBondContact O-N 3.37Å; Q230-V234 WeakPolarHBondContact O-CG2 3.36Å; Q230-V234 PolarHBondContact O-N 2.91Å; Q230-M267 HydrophobicContact CG-SD 4.02Å
231	K	98.6	Very high	96.1	Very high	47 Å²	47	51.3 Å²	51.3	20%	0.204	26%	0.263	C	S	.	.	H	α-helix	trans	-63.1	-43.4	175.1	-178.2	171.7	178.1	-168.6	0	111.5	L179 Y227 A228 R229 V233 V234 T235	L179-K231 HydrophobicContact CD1-CB 4.21Å; L179-K231 HydrophobicContact CD1-CD 3.87Å; L179-K231 HydrophobicContact CD1-CG 4Å; L179-K231 HydrophobicContact CD2-CD 4.31Å; L179-K231 HydrophobicContact CG-CD 3.9Å; L179-K231 WeakPolarHBondContact O-CE 3.38Å; L179-K231 PolarHBondContact O-NZ 2.91Å; Y227-K231 HydrophobicContact CE1-CD 4.06Å; Y227-K231 VanDerWaalsContact O-CB 3.29Å; Y227-K231 WeakPolarHBondContact O-CB 3.45Å; Y227-K231 PolarHBondContact O-N 3.2Å; Y227-K231 WeakPolarHBondContact OH-CD 3.21Å; A228-K231 PolarHBondContact O-N 3.18Å; R229-K231 PolarHBondContact O-N 2.7Å; K231-V233 PolarHBondContact O-N 3.2Å; K231-V234 PolarHBondContact O-N 3.43Å; K231-T235 WeakPolarHBondContact O-CB 3.47Å; K231-T235 PolarHBondContact O-N 3.04Å; K231-T235 PolarHBondContact O-OG1 3.45Å
232	V	98.8	Very high	96.6	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-58	-49.6	174.4	168.7	0	0	0	0	110.1	V173 L179 V203 F205 A228 R229 T236 F269	V173-V232 HydrophobicContact CB-CG2 4.1Å; V173-V232 HydrophobicContact CG1-CG2 3.99Å; L179-V232 HydrophobicContact CD1-CG2 3.91Å; V203-V232 HydrophobicContact CG1-CG1 4.47Å; F205-V232 HydrophobicContact CB-CG1 4.3Å; F205-V232 HydrophobicContact CB-CG2 4.41Å; F205-V232 HydrophobicContact CD2-CG2 3.88Å; F205-V232 HydrophobicContact CG-CG2 4.34Å; A228-V232 WeakPolarHBondContact O-CB 3.41Å; A228-V232 VanDerWaalsContact O-CG2 3.31Å; A228-V232 WeakPolarHBondContact O-CG2 3.45Å; A228-V232 PolarHBondContact O-N 3.12Å; R229-V232 PolarHBondContact O-N 3.19Å; V232-T236 WeakPolarHBondContact O-CB 3.2Å; V232-T236 PolarHBondContact O-N 3.17Å; V232-T236 PolarHBondContact O-OG1 3.08Å; V232-F269 HydrophobicContact CG1-CE1 4.2Å
233	V	98.2	Very high	96.9	Very high	11 Å²	11	48 Å²	48	7%	0.067	24%	0.244	C	C	.	.	H	α-helix	trans	-58.8	-54.1	178.5	174	0	0	0	0	111.3	R229 Q230 K231 T235 T236 K237 M267 F269	R229-V233 WeakPolarHBondContact O-CG2 2.97Å; R229-V233 PolarHBondContact O-N 3.1Å; Q230-V233 PolarHBondContact O-N 3.37Å; K231-V233 PolarHBondContact O-N 3.2Å; V233-T235 PolarHBondContact O-N 3.44Å; V233-T236 PolarHBondContact O-N 3.42Å; V233-K237 HydrophobicContact CG1-CG 3.98Å; V233-K237 WeakPolarHBondContact O-CB 3.3Å; V233-K237 VanDerWaalsContact O-CG 3.24Å; V233-K237 WeakPolarHBondContact O-CG 2.86Å; V233-K237 PolarHBondContact O-N 2.94Å; V233-M267 WeakPolarHBondContact CG1-O 3.24Å; V233-F269 HydrophobicContact CG2-CD1 4.15Å; V233-F269 HydrophobicContact CG2-CD2 3.51Å; V233-F269 HydrophobicContact CG2-CE1 4.01Å; V233-F269 HydrophobicContact CG2-CE2 3.35Å; V233-F269 HydrophobicContact CG2-CG 3.92Å; V233-F269 HydrophobicContact CG2-CZ 3.62Å
234	V	98.5	Very high	97.2	Very high	103 Å²	103	38.9 Å²	38.9	62%	0.624	21%	0.21	S	C	*	.	H	α-helix	trans	-57.4	-48.8	-175.9	168.8	0	0	0	0	111.2	Q230 K231 A238	Q230-V234 WeakPolarHBondContact O-CG2 3.36Å; Q230-V234 PolarHBondContact O-N 2.91Å; K231-V234 PolarHBondContact O-N 3.43Å; V234-A238 WeakPolarHBondContact O-CB 3.5Å; V234-A238 PolarHBondContact O-N 3.45Å; V234-A238 VanDerWaalsContact O-N 3.09Å
235	T	98.5	Very high	97.3	Very high	21 Å²	21	36.3 Å²	36.3	13%	0.129	20%	0.198	C	C	.	.	H	α-helix	trans	-65.8	-48	179.2	-59.2	0	0	0	0	110.7	F182 K183 K231 V233 K237 A238 F239	F182-T235 HydrophobicContact CD1-CG2 3.43Å; F182-T235 VanDerWaalsContact CD1-CG2 3.43Å; F182-T235 HydrophobicContact CE1-CG2 3.47Å; F182-T235 VanDerWaalsContact CE1-CG2 3.47Å; F182-T235 HydrophobicContact CG-CG2 4Å; F182-T235 HydrophobicContact CZ-CG2 4.03Å; K183-T235 HydrophobicContact CB-CG2 4.14Å; K231-T235 WeakPolarHBondContact O-CB 3.47Å; K231-T235 PolarHBondContact O-N 3.04Å; K231-T235 PolarHBondContact O-OG1 3.45Å; V233-T235 PolarHBondContact O-N 3.44Å; T235-K237 VanDerWaalsContact C-N 3.32Å; T235-K237 PolarHBondContact O-N 3.31Å; T235-A238 WeakPolarHBondContact O-CB 3.3Å; T235-A238 PolarHBondContact O-N 3.05Å; T235-A238 VanDerWaalsContact O-N 3.11Å; T235-F239 HydrophobicContact CG2-CD2 4.31Å; T235-F239 HydrophobicContact CG2-CE2 4Å; T235-F239 WeakPolarHBondContact O-CD2 3.07Å; T235-F239 PolarHBondContact O-N 2.81Å
236	T	97.8	Very high	97.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-56.6	-44.8	179.8	-56.6	0	0	0	0	111.9	F182 V203 V232 V233 A238 F239 G240 L241 Q242 A243	F182-T236 WeakPolarHBondContact CZ-OG1 3.44Å; V203-T236 HydrophobicContact CB-CG2 4.12Å; V203-T236 HydrophobicContact CG2-CG2 4.22Å; V232-T236 WeakPolarHBondContact O-CB 3.2Å; V232-T236 PolarHBondContact O-N 3.17Å; V232-T236 PolarHBondContact O-OG1 3.08Å; V233-T236 PolarHBondContact O-N 3.42Å; T236-A238 PolarHBondContact O-N 3.23Å; T236-F239 PolarHBondContact O-N 3.41Å; T236-G240 PolarHBondContact O-N 3.19Å; T236-L241 HydrophobicContact CG2-CB 3.48Å; T236-L241 VanDerWaalsContact CG2-CB 3.48Å; T236-L241 WeakPolarHBondContact O-CB 3.18Å; T236-L241 PolarHBondContact O-N 3.04Å; T236-L241 VanDerWaalsContact O-N 3.1Å; T236-Q242 WeakPolarHBondContact CG2-O 3.23Å; T236-A243 HydrophobicContact CG2-CB 3.8Å
237	K	94.6	Very high	97.2	Very high	76 Å²	76	34 Å²	34	33%	0.33	19%	0.187	S	C	.	.	H	α-helix	trans	-68.3	-32.9	178.8	-64.3	-57.2	-179.8	-175	0	113.3	V233 T235 F239 G240 G268 T270	V233-K237 HydrophobicContact CG1-CG 3.98Å; V233-K237 WeakPolarHBondContact O-CB 3.3Å; V233-K237 VanDerWaalsContact O-CG 3.24Å; V233-K237 WeakPolarHBondContact O-CG 2.86Å; V233-K237 PolarHBondContact O-N 2.94Å; T235-K237 VanDerWaalsContact C-N 3.32Å; T235-K237 PolarHBondContact O-N 3.31Å; K237-F239 PolarHBondContact O-N 3.34Å; K237-F239 VanDerWaalsContact O-N 3.17Å; K237-G240 PolarHBondContact O-N 2.9Å; K237-G268 WeakPolarHBondContact CE-O 3.5Å; K237-G268 PolarHBondContact NZ-O 3.34Å; K237-T270 VanDerWaalsContact NZ-CG2 3.28Å
238	A	95.8	Very high	97	Very high	54 Å²	54	27.8 Å²	27.8	45%	0.446	16%	0.163	S	C	.	.	H	α-helix	trans	-62	-20.4	174.7	0	0	0	0	0	113.1	V234 T235 T236	V234-A238 WeakPolarHBondContact O-CB 3.5Å; V234-A238 PolarHBondContact O-N 3.45Å; V234-A238 VanDerWaalsContact O-N 3.09Å; T235-A238 WeakPolarHBondContact O-CB 3.3Å; T235-A238 PolarHBondContact O-N 3.05Å; T235-A238 VanDerWaalsContact O-N 3.11Å; T236-A238 PolarHBondContact O-N 3.23Å
239	F	94.8	Very high	96.7	Very high	44 Å²	44	32.6 Å²	32.6	19%	0.193	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	5.1	174.1	-67	-86.4	0	0	0	113.6	K183 C186 E187 T235 T236 K237 L241	K183-F239 HydrophobicContact CG-CE2 4.24Å; K183-F239 HydrophobicContact CG-CZ 4.13Å; C186-F239 HydrophobicContact CB-CD1 3.87Å; C186-F239 HydrophobicContact CB-CD2 3.52Å; C186-F239 HydrophobicContact CB-CE1 3.77Å; C186-F239 HydrophobicContact CB-CE2 3.45Å; C186-F239 VanDerWaalsContact CB-CE2 3.45Å; C186-F239 HydrophobicContact CB-CG 3.77Å; C186-F239 HydrophobicContact CB-CZ 3.59Å; E187-F239 HydrophobicContact CG-CE1 3.74Å; E187-F239 HydrophobicContact CG-CZ 3.69Å; T235-F239 HydrophobicContact CG2-CD2 4.31Å; T235-F239 HydrophobicContact CG2-CE2 4Å; T235-F239 WeakPolarHBondContact O-CD2 3.07Å; T235-F239 PolarHBondContact O-N 2.81Å; T236-F239 PolarHBondContact O-N 3.41Å; K237-F239 PolarHBondContact O-N 3.34Å; K237-F239 VanDerWaalsContact O-N 3.17Å; F239-L241 VanDerWaalsContact C-N 3.27Å; F239-L241 HydrophobicContact CB-CD1 3.74Å; F239-L241 HydrophobicContact CB-CG 3.78Å; F239-L241 PolarHBondContact O-N 2.6Å
240	G	91.9	Very high	96.4	Very high	57 Å²	57	35.9 Å²	35.9	59%	0.588	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.3	21.1	-178.8	0	0	0	0	0	114.3	T236 K237	T236-G240 PolarHBondContact O-N 3.19Å; K237-G240 PolarHBondContact O-N 2.9Å
241	L	95.8	Very high	96.1	Very high	14 Å²	14	35.9 Å²	35.9	7%	0.073	20%	0.201	C	C	.	.			trans	-91.8	160.2	-174.4	-58.5	172.8	0	0	0	112.1	H200 V203 T236 F239	H200-L241 VanDerWaalsContact C-CD2 3.47Å; H200-L241 HydrophobicContact CB-CD2 3.92Å; H200-L241 VanDerWaalsContact CE1-CD1 3.42Å; H200-L241 WeakPolarHBondContact CE1-CD1 2.96Å; H200-L241 WeakPolarHBondContact ND1-CD1 3.4Å; H200-L241 WeakPolarHBondContact O-CD2 3.14Å; V203-L241 HydrophobicContact CG2-CD1 3.99Å; T236-L241 HydrophobicContact CG2-CB 3.48Å; T236-L241 VanDerWaalsContact CG2-CB 3.48Å; T236-L241 WeakPolarHBondContact O-CB 3.18Å; T236-L241 PolarHBondContact O-N 3.04Å; T236-L241 VanDerWaalsContact O-N 3.1Å; F239-L241 VanDerWaalsContact C-N 3.27Å; F239-L241 HydrophobicContact CB-CD1 3.74Å; F239-L241 HydrophobicContact CB-CG 3.78Å; F239-L241 PolarHBondContact O-N 2.6Å
242	Q	96.9	Very high	95.9	Very high	8 Å²	8	41 Å²	41	4%	0.037	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	140	166.9	-66.9	-174.1	6.5	0	0	111	Y45 I46 D201 G202 V203 T236 T270	Y45-Q242 HydrophobicContact CE2-CG 4.01Å; Y45-Q242 VanDerWaalsContact CZ-NE2 3.35Å; I46-Q242 PolarHBondContact O-NE2 3.21Å; D201-Q242 WeakPolarHBondContact O-CB 3.47Å; D201-Q242 PolarHBondContact O-N 3.47Å; G202-Q242 CarbonylContact C-O 3.52Å; G202-Q242 WeakPolarHBondContact CA-O 3.44Å; V203-Q242 PolarHBondContact N-O 3.44Å; T236-Q242 WeakPolarHBondContact CG2-O 3.23Å; Q242-T270 WeakPolarHBondContact CA-OG1 3.42Å; Q242-T270 WeakPolarHBondContact CB-OG1 3.42Å
243	A	98.3	Very high	95.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	120.1	175.9	0	0	0	0	0	108.5	V203 T236 F269 T270 G271	V203-A243 WeakPolarHBondContact O-CA 3.33Å; T236-A243 HydrophobicContact CG2-CB 3.8Å; A243-F269 HydrophobicContact CB-CD1 3.71Å; A243-F269 HydrophobicContact CB-CE1 4.22Å; A243-F269 HydrophobicContact CB-CG 4.41Å; A243-F269 CarbonylContact O-C 3.48Å; A243-F269 WeakPolarHBondContact O-CA 3.43Å; A243-T270 PolarHBondContact N-OG1 2.85Å; A243-T270 PolarHBondContact O-N 3.38Å; A243-T270 PolarHBondContact O-OG1 2.87Å; A243-G271 PolarHBondContact O-N 3.1Å
244	I	98.8	Very high	95.7	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.005	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	121.8	179.5	-48.8	-57.4	0	0	0	108.9	R48 V51 V203 V204 F205 G271 Q273	R48-I244 HydrophobicContact CB-CD1 3.85Å; V51-I244 HydrophobicContact CB-CG2 4.29Å; V51-I244 HydrophobicContact CG2-CD1 4.31Å; V51-I244 HydrophobicContact CG2-CG1 4.39Å; V51-I244 HydrophobicContact CG2-CG2 3.8Å; V203-I244 PolarHBondContact O-N 3.42Å; V204-I244 HydrophobicContact CB-CB 4.43Å; V204-I244 HydrophobicContact CG2-CB 3.92Å; V204-I244 HydrophobicContact CG2-CG1 4.16Å; V204-I244 HydrophobicContact CG2-CG2 4.39Å; F205-I244 PolarHBondContact N-O 3.45Å; I244-G271 WeakPolarHBondContact CA-O 3.4Å; I244-Q273 HydrophobicContact CG2-CG 4Å
245	D	98.4	Very high	95.6	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	168.2	-176.1	-157.4	10.1	0	0	0	111.6	R229 F269 G271 K272 Q273	R229-D245 IonicContact CZ-OD2 3.2Å; R229-D245 IonicContact NE-OD1 2.73Å; R229-D245 PolarHBondContact NE-OD1 3.09Å; R229-D245 IonicContact NE-OD2 3.35Å; R229-D245 IonicContact NH2-OD1 3.3Å; R229-D245 IonicContact NH2-OD2 2.64Å; R229-D245 PolarHBondContact NH2-OD2 3.3Å; D245-F269 HydrophobicContact CB-CB 4.04Å; D245-F269 HydrophobicContact CB-CD1 3.61Å; D245-F269 HydrophobicContact CB-CD2 4.06Å; D245-F269 HydrophobicContact CB-CE1 4Å; D245-F269 HydrophobicContact CB-CE2 4.41Å; D245-F269 HydrophobicContact CB-CG 3.65Å; D245-F269 HydrophobicContact CB-CZ 4.38Å; D245-F269 VanDerWaalsContact N-CD1 3.32Å; D245-G271 PolarHBondContact N-O 3.44Å; D245-K272 HydrophobicContact CB-CB 4.32Å; D245-K272 HydrophobicContact CB-CG 4.25Å; D245-K272 IonicContact OD2-NZ 3.34Å; D245-Q273 WeakPolarHBondContact O-CG 3.24Å; D245-Q273 PolarHBondContact O-N 3.4Å; D245-Q273 VanDerWaalsContact O-N 3.1Å; D245-Q273 PolarHBondContact O-NE2 2.9Å
246	L	95.3	Very high	95.5	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-59.6	161.7	-176.5	60.7	100.9	0	0	0	116.1	F205 S207 L225 R229 K272	F205-L246 HydrophobicContact CD1-CB 4.01Å; F205-L246 HydrophobicContact CD1-CD2 4.07Å; F205-L246 HydrophobicContact CE1-CB 4.43Å; F205-L246 HydrophobicContact CE1-CD2 4.03Å; F205-L246 WeakPolarHBondContact O-CA 3.45Å; S207-L246 WeakPolarHBondContact OG-CB 3.47Å; L225-L246 HydrophobicContact CD1-CD2 4.35Å; R229-L246 VanDerWaalsContact CD-CD2 3.49Å; R229-L246 HydrophobicContact CG-CD2 4.01Å; L246-K272 WeakPolarHBondContact O-CE 3.48Å; L246-K272 WeakPolarHBondContact O-CG 3.44Å; L246-K272 PolarHBondContact O-NZ 2.98Å
247	V	95.6	Very high	95.5	Very high	23 Å²	23	46.6 Å²	46.6	14%	0.139	25%	0.25	C	C	.	.	P	Polyproline II helix	trans	-70.2	146.9	172.9	-67.8	0	0	0	0	111.9	D208 I249 Q273 I275	D208-V247 WeakPolarHBondContact OD2-CG2 3.36Å; V247-I249 HydrophobicContact CG2-CG2 4.19Å; V247-Q273 HydrophobicContact CB-CB 4.45Å; V247-Q273 HydrophobicContact CG1-CB 3.51Å; V247-Q273 HydrophobicContact CG1-CG 4.41Å; V247-I275 HydrophobicContact CG1-CG2 3.99Å
248	Y	95.5	Very high	95.6	Very high	19 Å²	19	46 Å²	46	8%	0.075	25%	0.245	C	C	.	.			trans	-105.7	109.4	165.8	-167.8	-99.6	0	0	0	109.2	D250 D253 L257 Q260 Q279	Y248-D250 VanDerWaalsContact CD1-O 3.27Å; Y248-D250 WeakPolarHBondContact CD1-O 3.5Å; Y248-D250 HydrophobicContact CE1-CB 3.92Å; Y248-D250 WeakPolarHBondContact CE1-O 3.46Å; Y248-D253 HydrophobicContact CE1-CB 4.04Å; Y248-D253 VanDerWaalsContact CE1-O 3.29Å; Y248-D253 WeakPolarHBondContact CE1-O 3.32Å; Y248-D253 PolarHBondContact OH-OD2 3.34Å; Y248-L257 HydrophobicContact CD1-CB 3.78Å; Y248-L257 HydrophobicContact CD1-CD1 4.3Å; Y248-L257 HydrophobicContact CE1-CB 4.08Å; Y248-L257 HydrophobicContact CG-CB 4.16Å; Y248-L257 HydrophobicContact CG-CD1 4.04Å; Y248-Q260 HydrophobicContact CD2-CB 4.5Å; Y248-Q279 PolarHBondContact O-NE2 3.48Å
249	I	91.4	Very high	95.6	Very high	103 Å²	103	49 Å²	49	53%	0.528	25%	0.253	S	S	.	.	S	Bend	trans	-72.4	-33.3	-168.5	59.1	174.1	0	0	0	113.5	V247 Y251	V247-I249 HydrophobicContact CG2-CG2 4.19Å; I249-Y251 VanDerWaalsContact C-N 3.34Å; I249-Y251 PolarHBondContact O-N 3.49Å
250	D	92.9	Very high	95.7	Very high	70 Å²	70	47.5 Å²	47.5	37%	0.374	25%	0.247	S	C	.	.			trans	-82.4	80.2	177.9	-168.6	-10.8	0	0	0	110	Y248 K252 D253	Y248-D250 VanDerWaalsContact CD1-O 3.27Å; Y248-D250 WeakPolarHBondContact CD1-O 3.5Å; Y248-D250 HydrophobicContact CE1-CB 3.92Å; Y248-D250 WeakPolarHBondContact CE1-O 3.46Å; D250-K252 PolarHBondContact O-N 3.31Å; D250-K252 PolarHBondContact OD1-N 3.48Å; D250-D253 HydrophobicContact CB-CB 4.3Å; D250-D253 PolarHBondContact O-N 2.87Å; D250-D253 VanDerWaalsContact O-N 3.1Å; D250-D253 PolarHBondContact OD1-N 2.86Å
251	Y	91.4	Very high	96	Very high	102 Å²	102	44.8 Å²	44.8	40%	0.4	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-9.8	-177	71.7	-90.9	0	0	0	114.6	I249 H276	I249-Y251 VanDerWaalsContact C-N 3.34Å; I249-Y251 PolarHBondContact O-N 3.49Å; Y251-H276 HydrophobicContact CD2-CB 4.26Å; Y251-H276 AromaticContact CD2-CG 3.78Å; Y251-H276 AromaticContact CD2-ND1 3.84Å; Y251-H276 HydrophobicContact CG-CB 4.1Å
252	K	94.7	Very high	96	Very high	156 Å²	156	48.6 Å²	48.6	68%	0.678	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-26.2	177.2	-63.6	-177.5	-179.6	178.1	0	112.2	D250 V254	D250-K252 PolarHBondContact O-N 3.31Å; D250-K252 PolarHBondContact OD1-N 3.48Å; K252-V254 PolarHBondContact O-N 3.49Å; K252-V254 VanDerWaalsContact O-N 3.12Å
253	D	96.2	Very high	96	Very high	50 Å²	50	51.7 Å²	51.7	27%	0.267	25%	0.251	S	S	.	.			trans	-84.5	79	176.5	-175.1	7	0	0	0	110.8	Y248 D250 E255 G256 L257	Y248-D253 HydrophobicContact CE1-CB 4.04Å; Y248-D253 VanDerWaalsContact CE1-O 3.29Å; Y248-D253 WeakPolarHBondContact CE1-O 3.32Å; Y248-D253 PolarHBondContact OH-OD2 3.34Å; D250-D253 HydrophobicContact CB-CB 4.3Å; D250-D253 PolarHBondContact O-N 2.87Å; D250-D253 VanDerWaalsContact O-N 3.1Å; D250-D253 PolarHBondContact OD1-N 2.86Å; D253-E255 VanDerWaalsContact C-N 3.31Å; D253-E255 PolarHBondContact O-N 2.73Å; D253-G256 PolarHBondContact OD1-N 3.08Å; D253-L257 WeakPolarHBondContact O-CB 3.44Å; D253-L257 PolarHBondContact O-N 3.12Å
254	V	96.4	Very high	96	Very high	55 Å²	55	51.7 Å²	51.7	33%	0.333	25%	0.251	S	S	.	.	H	α-helix	trans	-66	-34	179.7	179.2	0	0	0	0	111.7	K252 L257 R258 A282	K252-V254 PolarHBondContact O-N 3.49Å; K252-V254 VanDerWaalsContact O-N 3.12Å; V254-L257 WeakPolarHBondContact O-CB 3.43Å; V254-L257 PolarHBondContact O-N 2.82Å; V254-R258 HydrophobicContact CG1-CG 4.48Å; V254-R258 VanDerWaalsContact O-CG 3.31Å; V254-R258 WeakPolarHBondContact O-CG 3.36Å; V254-R258 PolarHBondContact O-N 2.95Å; V254-A282 HydrophobicContact CG1-CB 4.03Å
255	E	96.6	Very high	95.8	Very high	130 Å²	130	53.1 Å²	53.1	61%	0.607	26%	0.263	S	S	*	.	H	α-helix	trans	-70.1	-44.7	179.1	-67.4	-55.2	121	0	0	111.4	D253 L257 R258 L259	D253-E255 VanDerWaalsContact C-N 3.31Å; D253-E255 PolarHBondContact O-N 2.73Å; E255-L257 VanDerWaalsContact C-N 3.29Å; E255-L257 PolarHBondContact O-N 3.47Å; E255-R258 PolarHBondContact O-N 2.95Å; E255-R258 VanDerWaalsContact O-N 3.16Å; E255-L259 WeakPolarHBondContact O-CG 3.31Å; E255-L259 PolarHBondContact O-N 3.48Å
256	G	96.4	Very high	95.6	Very high	15 Å²	15	60 Å²	60	16%	0.155	30%	0.299	C	S	.	.	H	α-helix	trans	-60.1	-39.7	172.5	0	0	0	0	0	112.4	D253 Q260	D253-G256 PolarHBondContact OD1-N 3.08Å; G256-Q260 PolarHBondContact O-N 3.36Å; G256-Q260 VanDerWaalsContact O-N 3.09Å
257	L	97.4	Very high	95.6	Very high	2 Å²	2	62.1 Å²	62.1	1%	0.01	31%	0.309	C	S	.	.	H	α-helix	trans	-59.5	-47.3	171.9	169.1	68	0	0	0	112	Y248 D253 V254 E255 Q260 A261 K272 Q279 A282 V283	Y248-L257 HydrophobicContact CD1-CB 3.78Å; Y248-L257 HydrophobicContact CD1-CD1 4.3Å; Y248-L257 HydrophobicContact CE1-CB 4.08Å; Y248-L257 HydrophobicContact CG-CB 4.16Å; Y248-L257 HydrophobicContact CG-CD1 4.04Å; D253-L257 WeakPolarHBondContact O-CB 3.44Å; D253-L257 PolarHBondContact O-N 3.12Å; V254-L257 WeakPolarHBondContact O-CB 3.43Å; V254-L257 PolarHBondContact O-N 2.82Å; E255-L257 VanDerWaalsContact C-N 3.29Å; E255-L257 PolarHBondContact O-N 3.47Å; L257-Q260 PolarHBondContact O-N 3.24Å; L257-A261 VanDerWaalsContact O-CB 3.26Å; L257-A261 WeakPolarHBondContact O-CB 3.49Å; L257-A261 PolarHBondContact O-N 3.01Å; L257-K272 HydrophobicContact CD1-CD 4.17Å; L257-Q279 HydrophobicContact CD2-CB 3.61Å; L257-Q279 HydrophobicContact CD2-CG 3.74Å; L257-A282 HydrophobicContact CD2-CB 4.17Å; L257-V283 HydrophobicContact CD1-CG2 3.7Å; L257-V283 HydrophobicContact CD2-CG2 4.09Å; L257-V283 HydrophobicContact CG-CG2 4.09Å
258	R	97.4	Very high	95.6	Very high	62 Å²	62	62.1 Å²	62.1	23%	0.234	31%	0.314	C	S	.	.	H	α-helix	trans	-60.3	-47.7	180	-76.2	180	125.3	-69.9	-15.1	111.1	V254 E255 Q260 A261 Q262 A282 E285 E286	V254-R258 HydrophobicContact CG1-CG 4.48Å; V254-R258 VanDerWaalsContact O-CG 3.31Å; V254-R258 WeakPolarHBondContact O-CG 3.36Å; V254-R258 PolarHBondContact O-N 2.95Å; E255-R258 PolarHBondContact O-N 2.95Å; E255-R258 VanDerWaalsContact O-N 3.16Å; R258-Q260 PolarHBondContact O-N 3.16Å; R258-A261 PolarHBondContact O-N 3.34Å; R258-Q262 WeakPolarHBondContact O-CB 3.4Å; R258-Q262 PolarHBondContact O-N 2.9Å; R258-A282 HydrophobicContact CG-CB 3.77Å; R258-E285 IonicContact CZ-OE2 2.77Å; R258-E285 IonicContact NH2-OE2 2.6Å; R258-E285 PolarHBondContact NH2-OE2 2.98Å; R258-E286 HydrophobicContact CB-CG 4.5Å; R258-E286 IonicContact CZ-OE1 2.66Å; R258-E286 VanDerWaalsContact CZ-OE1 3.3Å; R258-E286 IonicContact NH1-OE1 2.84Å; R258-E286 PolarHBondContact NH1-OE1 2.97Å; R258-E286 IonicContact NH2-OE1 3.07Å; R258-E286 PolarHBondContact NH2-OE1 2.92Å
259	L	96.6	Very high	95.7	Very high	117 Å²	117	61.6 Å²	61.6	61%	0.613	31%	0.312	S	S	*	.	H	α-helix	trans	-58.8	-45.4	177.3	-69.4	172.3	0	0	0	112.1	E255 Q262 E263	E255-L259 WeakPolarHBondContact O-CG 3.31Å; E255-L259 PolarHBondContact O-N 3.48Å; L259-Q262 PolarHBondContact O-N 2.74Å; L259-E263 WeakPolarHBondContact O-CB 3.49Å; L259-E263 PolarHBondContact O-N 2.9Å
260	Q	96.5	Very high	95.9	Very high	14 Å²	14	57.8 Å²	57.8	7%	0.065	29%	0.294	C	S	.	.	H	α-helix	trans	-71.7	-34.5	-179.9	-166	-174.6	81.5	0	0	112.8	Y248 G256 L257 R258 G264	Y248-Q260 HydrophobicContact CD2-CB 4.5Å; G256-Q260 PolarHBondContact O-N 3.36Å; G256-Q260 VanDerWaalsContact O-N 3.09Å; L257-Q260 PolarHBondContact O-N 3.24Å; R258-Q260 PolarHBondContact O-N 3.16Å; Q260-G264 PolarHBondContact O-N 3.48Å
261	A	97.6	Very high	96.2	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-65.7	-44.8	174.4	0	0	0	0	0	111.2	L257 R258 E263 G264 A265 K272 E286 F287	L257-A261 VanDerWaalsContact O-CB 3.26Å; L257-A261 WeakPolarHBondContact O-CB 3.49Å; L257-A261 PolarHBondContact O-N 3.01Å; R258-A261 PolarHBondContact O-N 3.34Å; A261-E263 VanDerWaalsContact C-N 3.35Å; A261-E263 PolarHBondContact O-N 3.44Å; A261-G264 PolarHBondContact O-N 3.34Å; A261-A265 PolarHBondContact O-N 2.96Å; A261-K272 HydrophobicContact CB-CD 4.05Å; A261-E286 HydrophobicContact CB-CB 3.78Å; A261-E286 HydrophobicContact CB-CG 4.06Å; A261-F287 HydrophobicContact CB-CD2 4.42Å; A261-F287 HydrophobicContact CB-CE2 3.81Å
262	Q	96.6	Very high	96.5	Very high	93 Å²	93	49.6 Å²	49.6	44%	0.435	26%	0.257	S	S	.	.	H	α-helix	trans	-58.4	-47	174.5	-169.4	179.9	43.3	0	0	111.4	R258 L259 G264 A265 L266 E286	R258-Q262 WeakPolarHBondContact O-CB 3.4Å; R258-Q262 PolarHBondContact O-N 2.9Å; L259-Q262 PolarHBondContact O-N 2.74Å; Q262-G264 VanDerWaalsContact C-N 3.32Å; Q262-G264 PolarHBondContact O-N 3.45Å; Q262-A265 PolarHBondContact O-N 3.47Å; Q262-L266 HydrophobicContact CG-CD1 4.3Å; Q262-L266 WeakPolarHBondContact O-CB 3.35Å; Q262-L266 VanDerWaalsContact O-CG 3.3Å; Q262-L266 WeakPolarHBondContact O-CG 3.31Å; Q262-L266 PolarHBondContact O-N 2.91Å; Q262-E286 VanDerWaalsContact CB-OE2 3.31Å; Q262-E286 WeakPolarHBondContact CB-OE2 2.83Å; Q262-E286 WeakPolarHBondContact CG-OE2 3.15Å
263	E	96.6	Very high	96.7	Very high	73 Å²	73	42.5 Å²	42.5	34%	0.341	23%	0.226	S	C	.	.	H	α-helix	trans	-59	-43.4	176.9	-163.3	-149.1	177.1	0	0	111.7	R229 L259 A261 L266 M267	R229-E263 IonicContact CZ-OE2 3.61Å; R229-E263 IonicContact NH1-OE1 3.25Å; R229-E263 IonicContact NH1-OE2 3.67Å; R229-E263 PolarHBondContact NH1-OE2 3.04Å; R229-E263 IonicContact NH2-OE2 3.63Å; R229-E263 PolarHBondContact NH2-OE2 3.39Å; L259-E263 WeakPolarHBondContact O-CB 3.49Å; L259-E263 PolarHBondContact O-N 2.9Å; A261-E263 VanDerWaalsContact C-N 3.35Å; A261-E263 PolarHBondContact O-N 3.44Å; E263-L266 PolarHBondContact O-N 3.44Å; E263-M267 HydrophobicContact CB-CE 4.48Å; E263-M267 HydrophobicContact CG-CE 3.79Å; E263-M267 WeakPolarHBondContact O-CE 3.35Å; E263-M267 PolarHBondContact O-N 3.17Å
264	G	97.2	Very high	96.8	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-62.2	-46.4	174.8	0	0	0	0	0	112.9	Q260 A261 Q262 L266 M267 G268 F269	Q260-G264 PolarHBondContact O-N 3.48Å; A261-G264 PolarHBondContact O-N 3.34Å; Q262-G264 VanDerWaalsContact C-N 3.32Å; Q262-G264 PolarHBondContact O-N 3.45Å; G264-L266 VanDerWaalsContact C-N 3.33Å; G264-L266 PolarHBondContact O-N 3.4Å; G264-M267 PolarHBondContact O-N 3.32Å; G264-G268 PolarHBondContact O-N 3.04Å; G264-F269 WeakPolarHBondContact O-CB 3.29Å; G264-F269 WeakPolarHBondContact O-CD2 3.49Å; G264-F269 PolarHBondContact O-N 3.48Å
265	A	95.8	Very high	96.8	Very high	32 Å²	32	41.2 Å²	41.2	26%	0.264	22%	0.217	S	C	.	.	H	α-helix	trans	-59.8	-43.2	176.6	0	0	0	0	0	111.6	A261 Q262 M267 G268 F287	A261-A265 PolarHBondContact O-N 2.96Å; Q262-A265 PolarHBondContact O-N 3.47Å; A265-M267 VanDerWaalsContact C-N 3.32Å; A265-M267 PolarHBondContact O-N 3.05Å; A265-G268 PolarHBondContact O-N 3.08Å; A265-G268 VanDerWaalsContact O-N 3.1Å; A265-F287 HydrophobicContact CB-CD1 3.87Å; A265-F287 HydrophobicContact CB-CE1 3.88Å; A265-F287 HydrophobicContact CB-CG 4.45Å; A265-F287 HydrophobicContact CB-CZ 4.44Å
266	L	93.9	Very high	96.9	Very high	145 Å²	145	38.7 Å²	38.7	76%	0.759	21%	0.205	S	C	*	.	H	α-helix	trans	-63.7	-34.5	176.1	-72.3	172.9	0	0	0	112.9	Q262 E263 G264 G268	Q262-L266 HydrophobicContact CG-CD1 4.3Å; Q262-L266 WeakPolarHBondContact O-CB 3.35Å; Q262-L266 VanDerWaalsContact O-CG 3.3Å; Q262-L266 WeakPolarHBondContact O-CG 3.31Å; Q262-L266 PolarHBondContact O-N 2.91Å; E263-L266 PolarHBondContact O-N 3.44Å; G264-L266 VanDerWaalsContact C-N 3.33Å; G264-L266 PolarHBondContact O-N 3.4Å; L266-G268 VanDerWaalsContact C-N 3.26Å; L266-G268 PolarHBondContact O-N 3.16Å
267	M	95.8	Very high	96.9	Very high	43 Å²	43	40.2 Å²	40.2	21%	0.212	21%	0.212	C	C	.	.	H	α-helix	trans	-69.2	-23.9	174	-79.6	-173.2	-95.3	0	0	113.3	L226 R229 Q230 V233 E263 G264 A265 F269	L226-M267 HydrophobicContact CD1-SD 4.29Å; R229-M267 HydrophobicContact CB-SD 4.42Å; R229-M267 VanDerWaalsContact NH2-CE 3.27Å; Q230-M267 HydrophobicContact CG-SD 4.02Å; V233-M267 WeakPolarHBondContact CG1-O 3.24Å; E263-M267 HydrophobicContact CB-CE 4.48Å; E263-M267 HydrophobicContact CG-CE 3.79Å; E263-M267 WeakPolarHBondContact O-CE 3.35Å; E263-M267 PolarHBondContact O-N 3.17Å; G264-M267 PolarHBondContact O-N 3.32Å; A265-M267 VanDerWaalsContact C-N 3.32Å; A265-M267 PolarHBondContact O-N 3.05Å; M267-F269 HydrophobicContact CB-CD2 4.28Å
268	G	94.1	Very high	96.9	Very high	24 Å²	24	42.3 Å²	42.3	25%	0.247	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	112.9	9.4	-179.1	0	0	0	0	0	114.8	K237 G264 A265 L266	K237-G268 WeakPolarHBondContact CE-O 3.5Å; K237-G268 PolarHBondContact NZ-O 3.34Å; G264-G268 PolarHBondContact O-N 3.04Å; A265-G268 PolarHBondContact O-N 3.08Å; A265-G268 VanDerWaalsContact O-N 3.1Å; L266-G268 VanDerWaalsContact C-N 3.26Å; L266-G268 PolarHBondContact O-N 3.16Å
269	F	98	Very high	96.9	Very high	7 Å²	7	39.4 Å²	39.4	3%	0.031	22%	0.223	C	C	.	.			trans	-62.1	146.7	164.1	-70.9	-87	0	0	0	110.1	F205 R229 V232 V233 A243 D245 G264 M267 F287	F205-F269 HydrophobicContact CB-CE1 4.37Å; R229-F269 HydrophobicContact CB-CE2 3.98Å; R229-F269 HydrophobicContact CB-CZ 4.04Å; R229-F269 HydrophobicContact CG-CE2 4.4Å; R229-F269 HydrophobicContact CG-CZ 4.29Å; V232-F269 HydrophobicContact CG1-CE1 4.2Å; V233-F269 HydrophobicContact CG2-CD1 4.15Å; V233-F269 HydrophobicContact CG2-CD2 3.51Å; V233-F269 HydrophobicContact CG2-CE1 4.01Å; V233-F269 HydrophobicContact CG2-CE2 3.35Å; V233-F269 HydrophobicContact CG2-CG 3.92Å; V233-F269 HydrophobicContact CG2-CZ 3.62Å; A243-F269 HydrophobicContact CB-CD1 3.71Å; A243-F269 HydrophobicContact CB-CE1 4.22Å; A243-F269 HydrophobicContact CB-CG 4.41Å; A243-F269 CarbonylContact O-C 3.48Å; A243-F269 WeakPolarHBondContact O-CA 3.43Å; D245-F269 HydrophobicContact CB-CB 4.04Å; D245-F269 HydrophobicContact CB-CD1 3.61Å; D245-F269 HydrophobicContact CB-CD2 4.06Å; D245-F269 HydrophobicContact CB-CE1 4Å; D245-F269 HydrophobicContact CB-CE2 4.41Å; D245-F269 HydrophobicContact CB-CG 3.65Å; D245-F269 HydrophobicContact CB-CZ 4.38Å; D245-F269 VanDerWaalsContact N-CD1 3.32Å; G264-F269 WeakPolarHBondContact O-CB 3.29Å; G264-F269 WeakPolarHBondContact O-CD2 3.49Å; G264-F269 PolarHBondContact O-N 3.48Å; M267-F269 HydrophobicContact CB-CD2 4.28Å; F269-F287 HydrophobicContact CB-CE1 3.8Å; F269-F287 HydrophobicContact CB-CZ 4.35Å; F269-F287 WeakPolarHBondContact O-CE1 3.42Å
270	T	96.5	Very high	97	Very high	24 Å²	24	34.3 Å²	34.3	15%	0.147	20%	0.197	C	C	.	.			trans	-102.7	-6.5	-179.2	43.8	0	0	0	0	113.2	K237 Q242 A243	K237-T270 VanDerWaalsContact NZ-CG2 3.28Å; Q242-T270 WeakPolarHBondContact CA-OG1 3.42Å; Q242-T270 WeakPolarHBondContact CB-OG1 3.42Å; A243-T270 PolarHBondContact N-OG1 2.85Å; A243-T270 PolarHBondContact O-N 3.38Å; A243-T270 PolarHBondContact O-OG1 2.87Å
271	G	98.2	Very high	97.1	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.6	-175.8	175.2	0	0	0	0	0	111.4	R48 R49 A243 I244 D245 F287	R48-G271 WeakPolarHBondContact O-CA 3.36Å; R49-G271 CarbonylContact O-C 3.6Å; R49-G271 WeakPolarHBondContact O-CA 3.38Å; A243-G271 PolarHBondContact O-N 3.1Å; I244-G271 WeakPolarHBondContact CA-O 3.4Å; D245-G271 PolarHBondContact N-O 3.44Å; G271-F287 VanDerWaalsContact N-CD1 3.34Å; G271-F287 WeakPolarHBondContact O-CZ 3.49Å
272	K	98.8	Very high	97.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	145.2	-178.6	-174.1	179	-175.8	63.5	0	111.2	R49 V51 D245 L246 L257 A261 V283 F287	R49-K272 PolarHBondContact O-N 3.17Å; V51-K272 PolarHBondContact N-O 2.89Å; D245-K272 HydrophobicContact CB-CB 4.32Å; D245-K272 HydrophobicContact CB-CG 4.25Å; D245-K272 IonicContact OD2-NZ 3.34Å; L246-K272 WeakPolarHBondContact O-CE 3.48Å; L246-K272 WeakPolarHBondContact O-CG 3.44Å; L246-K272 PolarHBondContact O-NZ 2.98Å; L257-K272 HydrophobicContact CD1-CD 4.17Å; A261-K272 HydrophobicContact CB-CD 4.05Å; K272-V283 HydrophobicContact CB-CG1 3.77Å; K272-V283 HydrophobicContact CD-CG2 4.17Å; K272-F287 HydrophobicContact CB-CD2 4.31Å; K272-F287 HydrophobicContact CB-CE2 3.47Å; K272-F287 VanDerWaalsContact CB-CE2 3.47Å; K272-F287 HydrophobicContact CB-CZ 3.86Å; K272-F287 HydrophobicContact CD-CE2 4.3Å; K272-F287 HydrophobicContact CG-CE2 4.48Å
273	Q	98.7	Very high	97.2	Very high	7 Å²	7	35.9 Å²	35.9	3%	0.033	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	135.2	171.7	-67.9	168.5	94	0	0	111.3	V51 Y53 V204 F205 I244 D245 V247	V51-Q273 WeakPolarHBondContact O-CA 3.46Å; Y53-Q273 HydrophobicContact CE2-CB 3.86Å; Y53-Q273 HydrophobicContact CE2-CG 3.72Å; Y53-Q273 PolarHBondContact OH-OE1 3.44Å; V204-Q273 HydrophobicContact CG1-CG 3.83Å; V204-Q273 VanDerWaalsContact CG1-OE1 3.31Å; F205-Q273 PolarHBondContact O-NE2 2.86Å; I244-Q273 HydrophobicContact CG2-CG 4Å; D245-Q273 WeakPolarHBondContact O-CG 3.24Å; D245-Q273 PolarHBondContact O-N 3.4Å; D245-Q273 VanDerWaalsContact O-N 3.1Å; D245-Q273 PolarHBondContact O-NE2 2.9Å; V247-Q273 HydrophobicContact CB-CB 4.45Å; V247-Q273 HydrophobicContact CG1-CB 3.51Å; V247-Q273 HydrophobicContact CG1-CG 4.41Å
274	V	98.3	Very high	97.2	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	145.7	175	-62	0	0	0	0	110.5	A50 V51 L52 Y53 Q279 I280 V283	A50-V274 HydrophobicContact CB-CG1 4.38Å; A50-V274 HydrophobicContact CB-CG2 4.23Å; V51-V274 PolarHBondContact O-N 3.22Å; L52-V274 WeakPolarHBondContact CA-O 3.33Å; L52-V274 HydrophobicContact CB-CG2 3.72Å; L52-V274 HydrophobicContact CD1-CG2 3.87Å; L52-V274 HydrophobicContact CG-CG2 4.41Å; Y53-V274 PolarHBondContact N-O 3.3Å; V274-Q279 HydrophobicContact CB-CB 3.97Å; V274-Q279 HydrophobicContact CG1-CB 3.77Å; V274-I280 HydrophobicContact CG2-CG1 4.28Å; V274-V283 HydrophobicContact CG1-CB 4.09Å; V274-V283 HydrophobicContact CG1-CG1 4.26Å; V274-V283 HydrophobicContact CG1-CG2 3.67Å
275	I	96.5	Very high	97.2	Very high	78 Å²	78	37 Å²	37	40%	0.4	21%	0.21	S	C	.	.	S	Bend	trans	-120.3	-4	-175.5	57.7	169.2	0	0	0	112.4	V247	V247-I275 HydrophobicContact CG1-CG2 3.99Å
276	H	97.5	Very high	97.2	Very high	76 Å²	76	37.4 Å²	37.4	35%	0.352	21%	0.206	S	C	.	.	S	Bend	trans	-143.5	140.5	179.5	-173.4	-96.6	0	0	0	111.2	Y251 G278 Q279	Y251-H276 HydrophobicContact CD2-CB 4.26Å; Y251-H276 AromaticContact CD2-CG 3.78Å; Y251-H276 AromaticContact CD2-ND1 3.84Å; Y251-H276 HydrophobicContact CG-CB 4.1Å; H276-G278 PolarHBondContact ND1-N 2.88Å; H276-G278 PolarHBondContact O-N 3.19Å; H276-G278 VanDerWaalsContact O-N 3.11Å; H276-Q279 HydrophobicContact CB-CG 4.27Å; H276-Q279 WeakPolarHBondContact O-CB 3.43Å; H276-Q279 PolarHBondContact O-N 3.11Å
277	P	97.1	Very high	97.3	Very high	48 Å²	48	30.8 Å²	30.8	31%	0.312	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-55.3	-32.9	-179.6	-29.3	36.5	0	0	0	114.8	L68 Q279 I280	L68-P277 HydrophobicContact CD1-CB 4.36Å; L68-P277 HydrophobicContact CD1-CG 4.19Å; L68-P277 HydrophobicContact CD2-CB 4.07Å; P277-Q279 PolarHBondContact O-N 3.48Å; P277-Q279 VanDerWaalsContact O-N 3.1Å; P277-I280 HydrophobicContact CB-CD1 4.19Å; P277-I280 WeakPolarHBondContact O-CB 3.39Å; P277-I280 WeakPolarHBondContact O-CD1 3.37Å; P277-I280 WeakPolarHBondContact O-CG1 3.21Å; P277-I280 PolarHBondContact O-N 3.26Å
278	G	97.3	Very high	97.2	Very high	46 Å²	46	30.4 Å²	30.4	47%	0.474	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-63.6	-11.6	176.9	0	0	0	0	0	115.1	H276	H276-G278 PolarHBondContact ND1-N 2.88Å; H276-G278 PolarHBondContact O-N 3.19Å; H276-G278 VanDerWaalsContact O-N 3.11Å
279	Q	98.4	Very high	96.9	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-90.4	-20.6	177.9	-59.3	-177.8	-51.8	0	0	112.8	Y248 L257 V274 H276 P277 Q281 V283	Y248-Q279 PolarHBondContact O-NE2 3.48Å; L257-Q279 HydrophobicContact CD2-CB 3.61Å; L257-Q279 HydrophobicContact CD2-CG 3.74Å; V274-Q279 HydrophobicContact CB-CB 3.97Å; V274-Q279 HydrophobicContact CG1-CB 3.77Å; H276-Q279 HydrophobicContact CB-CG 4.27Å; H276-Q279 WeakPolarHBondContact O-CB 3.43Å; H276-Q279 PolarHBondContact O-N 3.11Å; P277-Q279 PolarHBondContact O-N 3.48Å; P277-Q279 VanDerWaalsContact O-N 3.1Å; Q279-Q281 PolarHBondContact O-N 3.37Å; Q279-V283 WeakPolarHBondContact O-CB 3.42Å; Q279-V283 WeakPolarHBondContact O-CG2 3.13Å; Q279-V283 PolarHBondContact O-N 2.99Å; Q279-V283 VanDerWaalsContact O-N 3.08Å
280	I	98.2	Very high	96.4	Very high	10 Å²	10	33.2 Å²	33.2	5%	0.051	19%	0.189	C	C	.	.	H	α-helix	trans	-58.7	-52.5	-168.1	-63.5	164.4	0	0	0	111	A50 L52 L68 D69 V70 V274 P277 V283 Q284	A50-I280 HydrophobicContact CB-CG2 4.4Å; L52-I280 HydrophobicContact CD2-CD1 4.16Å; L68-I280 HydrophobicContact CB-CD1 4.2Å; L68-I280 HydrophobicContact CD1-CD1 4.05Å; L68-I280 HydrophobicContact CD2-CD1 4.44Å; L68-I280 HydrophobicContact CG-CD1 4.46Å; D69-I280 WeakPolarHBondContact O-CG2 3.49Å; V70-I280 HydrophobicContact CB-CD1 4.2Å; V70-I280 HydrophobicContact CB-CG1 4.5Å; V70-I280 HydrophobicContact CB-CG2 4.06Å; V70-I280 HydrophobicContact CG2-CG1 4.39Å; V70-I280 HydrophobicContact CG2-CG2 4.2Å; V274-I280 HydrophobicContact CG2-CG1 4.28Å; P277-I280 HydrophobicContact CB-CD1 4.19Å; P277-I280 WeakPolarHBondContact O-CB 3.39Å; P277-I280 WeakPolarHBondContact O-CD1 3.37Å; P277-I280 WeakPolarHBondContact O-CG1 3.21Å; P277-I280 PolarHBondContact O-N 3.26Å; I280-V283 PolarHBondContact O-N 3.28Å; I280-Q284 HydrophobicContact CG2-CG 4.23Å; I280-Q284 WeakPolarHBondContact O-CB 3.44Å; I280-Q284 VanDerWaalsContact O-CG 3.3Å; I280-Q284 WeakPolarHBondContact O-CG 3.31Å; I280-Q284 PolarHBondContact O-N 3.25Å
281	Q	97.6	Very high	96	Very high	135 Å²	135	40.1 Å²	40.1	63%	0.631	22%	0.219	S	C	*	.	H	α-helix	trans	-60.7	-54.1	-175.3	-179.6	178.6	-0.2	0	0	111.4	Q279 V283 Q284 E285	Q279-Q281 PolarHBondContact O-N 3.37Å; Q281-V283 VanDerWaalsContact C-N 3.3Å; Q281-V283 PolarHBondContact O-N 3.02Å; Q281-Q284 PolarHBondContact O-N 3.3Å; Q281-E285 HydrophobicContact CG-CG 4.42Å; Q281-E285 WeakPolarHBondContact CG-OE1 3.47Å; Q281-E285 PolarHBondContact NE2-OE1 3.01Å; Q281-E285 WeakPolarHBondContact O-CG 3.45Å; Q281-E285 PolarHBondContact O-N 2.92Å
282	A	97.8	Very high	95.6	Very high	5 Å²	5	45.8 Å²	45.8	4%	0.041	25%	0.25	C	C	.	.	H	α-helix	trans	-55.1	-45	-179.5	0	0	0	0	0	112.1	V254 L257 R258 E286	V254-A282 HydrophobicContact CG1-CB 4.03Å; L257-A282 HydrophobicContact CD2-CB 4.17Å; R258-A282 HydrophobicContact CG-CB 3.77Å; A282-E286 WeakPolarHBondContact O-CG 3.4Å; A282-E286 PolarHBondContact O-N 3.25Å
283	V	98.3	Very high	95	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-67	-48.2	178	169.3	0	0	0	0	111.6	R49 A50 L257 K272 V274 Q279 I280 Q281 E285 E286 F287	R49-V283 WeakPolarHBondContact O-CG1 3.35Å; A50-V283 HydrophobicContact CB-CB 4.32Å; A50-V283 HydrophobicContact CB-CG1 3.9Å; L257-V283 HydrophobicContact CD1-CG2 3.7Å; L257-V283 HydrophobicContact CD2-CG2 4.09Å; L257-V283 HydrophobicContact CG-CG2 4.09Å; K272-V283 HydrophobicContact CB-CG1 3.77Å; K272-V283 HydrophobicContact CD-CG2 4.17Å; V274-V283 HydrophobicContact CG1-CB 4.09Å; V274-V283 HydrophobicContact CG1-CG1 4.26Å; V274-V283 HydrophobicContact CG1-CG2 3.67Å; Q279-V283 WeakPolarHBondContact O-CB 3.42Å; Q279-V283 WeakPolarHBondContact O-CG2 3.13Å; Q279-V283 PolarHBondContact O-N 2.99Å; Q279-V283 VanDerWaalsContact O-N 3.08Å; I280-V283 PolarHBondContact O-N 3.28Å; Q281-V283 VanDerWaalsContact C-N 3.3Å; Q281-V283 PolarHBondContact O-N 3.02Å; V283-E285 PolarHBondContact O-N 3.43Å; V283-E286 PolarHBondContact O-N 3.5Å; V283-F287 HydrophobicContact CG1-CD2 3.83Å; V283-F287 HydrophobicContact CG1-CE2 4.13Å; V283-F287 VanDerWaalsContact O-CD2 3.32Å; V283-F287 WeakPolarHBondContact O-CD2 3.34Å; V283-F287 PolarHBondContact O-N 3.21Å
284	Q	97.9	Very high	94.6	Very high	12 Å²	12	52.2 Å²	52.2	6%	0.056	28%	0.277	C	S	.	.	H	α-helix	trans	-62.5	-32.9	-178.7	-71.3	-164.6	142.9	0	0	112.6	R49 A50 D69 D71 I280 Q281 S288	R49-Q284 HydrophobicContact CB-CB 4.47Å; R49-Q284 HydrophobicContact CB-CG 4.17Å; R49-Q284 PolarHBondContact NH1-O 3.46Å; A50-Q284 HydrophobicContact CB-CG 3.57Å; D69-Q284 PolarHBondContact O-NE2 3.17Å; D71-Q284 PolarHBondContact OD1-OE1 2.94Å; I280-Q284 HydrophobicContact CG2-CG 4.23Å; I280-Q284 WeakPolarHBondContact O-CB 3.44Å; I280-Q284 VanDerWaalsContact O-CG 3.3Å; I280-Q284 WeakPolarHBondContact O-CG 3.31Å; I280-Q284 PolarHBondContact O-N 3.25Å; Q281-Q284 PolarHBondContact O-N 3.3Å; Q284-S288 WeakPolarHBondContact O-CB 3.29Å; Q284-S288 PolarHBondContact O-N 3.08Å; Q284-S288 PolarHBondContact O-OG 3.31Å
285	E	96.1	Very high	94.3	Very high	84 Å²	84	56.8 Å²	56.8	39%	0.393	30%	0.298	S	S	.	.	H	α-helix	trans	-65.1	-50.3	173.9	-73.7	168.8	178.2	0	0	111.3	R258 Q281 V283 F287 S288	R258-E285 IonicContact CZ-OE2 2.77Å; R258-E285 IonicContact NH2-OE2 2.6Å; R258-E285 PolarHBondContact NH2-OE2 2.98Å; Q281-E285 HydrophobicContact CG-CG 4.42Å; Q281-E285 WeakPolarHBondContact CG-OE1 3.47Å; Q281-E285 PolarHBondContact NE2-OE1 3.01Å; Q281-E285 WeakPolarHBondContact O-CG 3.45Å; Q281-E285 PolarHBondContact O-N 2.92Å; V283-E285 PolarHBondContact O-N 3.43Å; E285-F287 VanDerWaalsContact C-N 3.3Å; E285-F287 PolarHBondContact O-N 3.33Å; E285-S288 WeakPolarHBondContact O-CB 3.43Å; E285-S288 PolarHBondContact O-N 2.87Å
286	E	96.5	Very high	94	Very high	40 Å²	40	55 Å²	55	19%	0.187	29%	0.287	C	S	.	.	H	α-helix	trans	-66.1	-28.7	-178.7	-69	-49.8	122.2	0	0	114.1	R258 A261 Q262 A282 V283 S288	R258-E286 HydrophobicContact CB-CG 4.5Å; R258-E286 IonicContact CZ-OE1 2.66Å; R258-E286 VanDerWaalsContact CZ-OE1 3.3Å; R258-E286 IonicContact NH1-OE1 2.84Å; R258-E286 PolarHBondContact NH1-OE1 2.97Å; R258-E286 IonicContact NH2-OE1 3.07Å; R258-E286 PolarHBondContact NH2-OE1 2.92Å; A261-E286 HydrophobicContact CB-CB 3.78Å; A261-E286 HydrophobicContact CB-CG 4.06Å; Q262-E286 VanDerWaalsContact CB-OE2 3.31Å; Q262-E286 WeakPolarHBondContact CB-OE2 2.83Å; Q262-E286 WeakPolarHBondContact CG-OE2 3.15Å; A282-E286 WeakPolarHBondContact O-CG 3.4Å; A282-E286 PolarHBondContact O-N 3.25Å; V283-E286 PolarHBondContact O-N 3.5Å; E286-S288 VanDerWaalsContact C-N 3.32Å
287	F	95.7	Very high	93.7	Very high	7 Å²	7	51.4 Å²	51.4	3%	0.031	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	11.7	173.8	-73.3	-85	0	0	0	113.4	R49 A261 A265 F269 G271 K272 V283 E285	R49-F287 HydrophobicContact CB-CB 3.83Å; R49-F287 WeakPolarHBondContact CD-O 3.29Å; R49-F287 HydrophobicContact CG-CB 3.89Å; A261-F287 HydrophobicContact CB-CD2 4.42Å; A261-F287 HydrophobicContact CB-CE2 3.81Å; A265-F287 HydrophobicContact CB-CD1 3.87Å; A265-F287 HydrophobicContact CB-CE1 3.88Å; A265-F287 HydrophobicContact CB-CG 4.45Å; A265-F287 HydrophobicContact CB-CZ 4.44Å; F269-F287 HydrophobicContact CB-CE1 3.8Å; F269-F287 HydrophobicContact CB-CZ 4.35Å; F269-F287 WeakPolarHBondContact O-CE1 3.42Å; G271-F287 VanDerWaalsContact N-CD1 3.34Å; G271-F287 WeakPolarHBondContact O-CZ 3.49Å; K272-F287 HydrophobicContact CB-CD2 4.31Å; K272-F287 HydrophobicContact CB-CE2 3.47Å; K272-F287 VanDerWaalsContact CB-CE2 3.47Å; K272-F287 HydrophobicContact CB-CZ 3.86Å; K272-F287 HydrophobicContact CD-CE2 4.3Å; K272-F287 HydrophobicContact CG-CE2 4.48Å; V283-F287 HydrophobicContact CG1-CD2 3.83Å; V283-F287 HydrophobicContact CG1-CE2 4.13Å; V283-F287 VanDerWaalsContact O-CD2 3.32Å; V283-F287 WeakPolarHBondContact O-CD2 3.34Å; V283-F287 PolarHBondContact O-N 3.21Å; E285-F287 VanDerWaalsContact C-N 3.3Å; E285-F287 PolarHBondContact O-N 3.33Å
288	S	93.9	Very high	93.4	Very high	34 Å²	34	54.3 Å²	54.3	24%	0.238	28%	0.279	C	S	.	.	S	Bend	trans	-103.2	139.3	170.6	-60.8	0	0	0	0	110.7	R49 Q284 E285 E286 S290	R49-S288 PolarHBondContact NH1-OG 2.99Å; Q284-S288 WeakPolarHBondContact O-CB 3.29Å; Q284-S288 PolarHBondContact O-N 3.08Å; Q284-S288 PolarHBondContact O-OG 3.31Å; E285-S288 WeakPolarHBondContact O-CB 3.43Å; E285-S288 PolarHBondContact O-N 2.87Å; E286-S288 VanDerWaalsContact C-N 3.32Å; S288-S290 PolarHBondContact O-N 3.34Å
289	P	87.6	Confident	93.3	Very high	32 Å²	32	55.1 Å²	55.1	21%	0.208	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-64.6	134.5	171.9	27.9	-32.1	0	0	0	109.8	V294 I333 A337	P289-V294 HydrophobicContact CB-CG2 4.01Å; P289-V294 HydrophobicContact CG-CG2 4.03Å; P289-I333 HydrophobicContact CB-CG2 3.82Å; P289-I333 HydrophobicContact CG-CG2 4.43Å; P289-A337 HydrophobicContact CG-CB 3.86Å
290	S	87.8	Confident	92.9	Very high	59 Å²	59	55.1 Å²	55.1	41%	0.413	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-66.1	156.4	174.3	69.2	0	0	0	0	111.2	S288 D292 R293 V294	S288-S290 PolarHBondContact O-N 3.34Å; S290-D292 VanDerWaalsContact C-N 3.25Å; S290-D292 PolarHBondContact O-N 3.46Å; S290-R293 WeakPolarHBondContact O-CA 3.46Å; S290-R293 WeakPolarHBondContact O-CB 3.33Å; S290-R293 PolarHBondContact O-N 3.01Å; S290-R293 VanDerWaalsContact OG-CG 3.24Å; S290-R293 WeakPolarHBondContact OG-CG 3.34Å; S290-R293 PolarHBondContact OG-N 3.48Å; S290-V294 WeakPolarHBondContact O-CG2 3.44Å; S290-V294 PolarHBondContact O-N 2.86Å
291	Q	89	Confident	92.6	Very high	168 Å²	168	56.2 Å²	56.2	79%	0.785	28%	0.276	S	S	*	.	H	α-helix	trans	-55.2	-42.7	176.6	-70.2	-178	-6.5	0	0	111.6	R293 V294 Q295	Q291-R293 VanDerWaalsContact C-N 3.28Å; Q291-R293 PolarHBondContact O-N 3.05Å; Q291-V294 PolarHBondContact O-N 3.46Å; Q291-Q295 WeakPolarHBondContact O-CB 3.18Å; Q291-Q295 PolarHBondContact O-N 2.92Å
292	D	87.9	Confident	92.4	Very high	120 Å²	120	52.7 Å²	52.7	64%	0.642	27%	0.27	S	S	*	.	H	α-helix	trans	-59.6	-37.2	175.6	-62.8	-13.4	0	0	0	112.7	S290 W296	S290-D292 VanDerWaalsContact C-N 3.25Å; S290-D292 PolarHBondContact O-N 3.46Å; D292-W296 WeakPolarHBondContact O-CB 3.24Å; D292-W296 PolarHBondContact O-N 2.91Å
293	R	86.3	Confident	92.1	Very high	112 Å²	112	53.2 Å²	53.2	42%	0.423	28%	0.275	S	S	.	.	H	α-helix	trans	-73.3	-36.1	177.6	-72.5	-69.9	-69.8	173	-4.3	112	S290 Q291 A297	S290-R293 WeakPolarHBondContact O-CA 3.46Å; S290-R293 WeakPolarHBondContact O-CB 3.33Å; S290-R293 PolarHBondContact O-N 3.01Å; S290-R293 VanDerWaalsContact OG-CG 3.24Å; S290-R293 WeakPolarHBondContact OG-CG 3.34Å; S290-R293 PolarHBondContact OG-N 3.48Å; Q291-R293 VanDerWaalsContact C-N 3.28Å; Q291-R293 PolarHBondContact O-N 3.05Å; R293-A297 WeakPolarHBondContact O-CB 3.29Å; R293-A297 PolarHBondContact O-N 3.49Å
294	V	90.4	Very high	91.7	Very high	29 Å²	29	53.3 Å²	53.3	18%	0.176	28%	0.275	C	S	.	.	H	α-helix	trans	-64.2	-51.1	172.9	175.1	0	0	0	0	109.8	P289 S290 Q291 W296 A297 E298 I333 L334 A337	P289-V294 HydrophobicContact CB-CG2 4.01Å; P289-V294 HydrophobicContact CG-CG2 4.03Å; S290-V294 WeakPolarHBondContact O-CG2 3.44Å; S290-V294 PolarHBondContact O-N 2.86Å; Q291-V294 PolarHBondContact O-N 3.46Å; V294-W296 VanDerWaalsContact C-N 3.35Å; V294-W296 PolarHBondContact O-N 2.73Å; V294-A297 WeakPolarHBondContact O-CB 3.38Å; V294-A297 PolarHBondContact O-N 3.12Å; V294-E298 WeakPolarHBondContact O-CG 3.32Å; V294-E298 PolarHBondContact O-N 3.04Å; V294-I333 HydrophobicContact CG2-CG2 4.32Å; V294-L334 HydrophobicContact CG1-CD2 3.83Å; V294-A337 HydrophobicContact CG2-CB 3.76Å
295	Q	91.9	Very high	91.3	Very high	96 Å²	96	56.9 Å²	56.9	45%	0.449	29%	0.294	S	S	.	.	H	α-helix	trans	-58.8	-45.4	177.4	-176.6	-176.9	-3.5	0	0	111.7	Q291 A297 E298 E299	Q291-Q295 WeakPolarHBondContact O-CB 3.18Å; Q291-Q295 PolarHBondContact O-N 2.92Å; Q295-A297 VanDerWaalsContact C-N 3.27Å; Q295-A297 PolarHBondContact O-N 2.84Å; Q295-E298 PolarHBondContact O-N 3.44Å; Q295-E299 HydrophobicContact CG-CG 4.47Å; Q295-E299 WeakPolarHBondContact CG-OE1 3.29Å; Q295-E299 PolarHBondContact NE2-OE1 3.32Å; Q295-E299 WeakPolarHBondContact O-CB 3.26Å; Q295-E299 WeakPolarHBondContact O-CG 3.35Å; Q295-E299 PolarHBondContact O-N 3.38Å
296	W	91.2	Very high	91	Very high	42 Å²	42	58.3 Å²	58.3	16%	0.159	30%	0.301	C	S	.	.	H	α-helix	trans	-56.7	-41.6	174.5	170.5	87.2	0	0	0	112.1	D292 V294 L300 F317 A330 I333	D292-W296 WeakPolarHBondContact O-CB 3.24Å; D292-W296 PolarHBondContact O-N 2.91Å; V294-W296 VanDerWaalsContact C-N 3.35Å; V294-W296 PolarHBondContact O-N 2.73Å; W296-L300 HydrophobicContact CH2-CD1 3.66Å; W296-L300 HydrophobicContact CZ2-CD1 3.32Å; W296-L300 HydrophobicContact CZ3-CD1 4.44Å; W296-L300 VanDerWaalsContact O-CB 3.24Å; W296-L300 WeakPolarHBondContact O-CB 3.48Å; W296-L300 PolarHBondContact O-N 3.15Å; W296-F317 AromaticContact CD1-CE1 3.76Å; W296-F317 AromaticContact NE1-CE1 3.68Å; W296-A330 HydrophobicContact CZ3-CB 4.15Å; W296-I333 HydrophobicContact CE3-CD1 4.17Å; W296-I333 HydrophobicContact CZ3-CD1 3.82Å
297	A	90.1	Very high	90.6	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-69.2	-41.5	179.8	0	0	0	0	0	112.3	R293 V294 Q295 L300 I301 A330 I333 L334	R293-A297 WeakPolarHBondContact O-CB 3.29Å; R293-A297 PolarHBondContact O-N 3.49Å; V294-A297 WeakPolarHBondContact O-CB 3.38Å; V294-A297 PolarHBondContact O-N 3.12Å; Q295-A297 VanDerWaalsContact C-N 3.27Å; Q295-A297 PolarHBondContact O-N 2.84Å; A297-L300 PolarHBondContact O-N 2.76Å; A297-I301 WeakPolarHBondContact O-CD1 3.45Å; A297-I301 VanDerWaalsContact O-CG1 3.29Å; A297-I301 WeakPolarHBondContact O-CG1 3.43Å; A297-I301 PolarHBondContact O-N 3.03Å; A297-A330 HydrophobicContact CB-CB 3.76Å; A297-I333 HydrophobicContact CB-CB 4.09Å; A297-I333 HydrophobicContact CB-CD1 4.44Å; A297-I333 HydrophobicContact CB-CG2 3.96Å; A297-L334 HydrophobicContact CB-CD2 3.8Å; A297-L334 HydrophobicContact CB-CG 4Å
298	E	92.2	Very high	90.2	Very high	109 Å²	109	60.1 Å²	60.1	51%	0.509	31%	0.31	S	S	.	.	H	α-helix	trans	-60.7	-49.5	174.9	-68.8	176.5	160.8	0	0	111.5	V294 Q295 L300 I301 A302 L334	V294-E298 WeakPolarHBondContact O-CG 3.32Å; V294-E298 PolarHBondContact O-N 3.04Å; Q295-E298 PolarHBondContact O-N 3.44Å; E298-L300 PolarHBondContact O-N 3.39Å; E298-I301 PolarHBondContact O-N 3.32Å; E298-A302 PolarHBondContact O-N 3.41Å; E298-L334 HydrophobicContact CG-CD1 3.89Å; E298-L334 HydrophobicContact CG-CD2 3.69Å; E298-L334 HydrophobicContact CG-CG 4.46Å
299	E	93.8	Very high	90	Very high	63 Å²	63	67 Å²	67	29%	0.294	34%	0.336	S	S	.	.	H	α-helix	trans	-64	-40.2	178.6	-71.6	177.4	-159.7	0	0	112.4	Q295 A302 A303 F317 R318	Q295-E299 HydrophobicContact CG-CG 4.47Å; Q295-E299 WeakPolarHBondContact CG-OE1 3.29Å; Q295-E299 PolarHBondContact NE2-OE1 3.32Å; Q295-E299 WeakPolarHBondContact O-CB 3.26Å; Q295-E299 WeakPolarHBondContact O-CG 3.35Å; Q295-E299 PolarHBondContact O-N 3.38Å; E299-A302 PolarHBondContact O-N 2.82Å; E299-A303 VanDerWaalsContact O-CB 3.31Å; E299-A303 WeakPolarHBondContact O-CB 3.4Å; E299-A303 PolarHBondContact O-N 3.35Å; E299-F317 HydrophobicContact CB-CE2 4.15Å; E299-F317 HydrophobicContact CB-CZ 3.71Å; E299-R318 IonicContact OE1-NH2 3.37Å; E299-R318 PolarHBondContact OE1-NH2 3.3Å; E299-R318 IonicContact OE2-CZ 3.8Å; E299-R318 IonicContact OE2-NE 3.2Å; E299-R318 PolarHBondContact OE2-NE 2.94Å; E299-R318 IonicContact OE2-NH2 3.17Å; E299-R318 PolarHBondContact OE2-NH2 2.81Å
300	L	91.8	Very high	90.1	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-64.1	-43.7	178.3	-174.7	153.9	0	0	0	111.3	W296 A297 E298 A303 F304 F317 I322 L327 A330	W296-L300 HydrophobicContact CH2-CD1 3.66Å; W296-L300 HydrophobicContact CZ2-CD1 3.32Å; W296-L300 HydrophobicContact CZ3-CD1 4.44Å; W296-L300 VanDerWaalsContact O-CB 3.24Å; W296-L300 WeakPolarHBondContact O-CB 3.48Å; W296-L300 PolarHBondContact O-N 3.15Å; A297-L300 PolarHBondContact O-N 2.76Å; E298-L300 PolarHBondContact O-N 3.39Å; L300-A303 PolarHBondContact O-N 3.43Å; L300-F304 WeakPolarHBondContact O-CB 3.38Å; L300-F304 PolarHBondContact O-N 2.84Å; L300-F317 HydrophobicContact CB-CD1 4.38Å; L300-F317 HydrophobicContact CB-CE1 3.98Å; L300-F317 HydrophobicContact CB-CZ 4.28Å; L300-F317 HydrophobicContact CD1-CD1 4.29Å; L300-F317 HydrophobicContact CD1-CE1 4.49Å; L300-F317 HydrophobicContact CG-CD1 4.44Å; L300-I322 HydrophobicContact CD1-CD1 3.9Å; L300-I322 HydrophobicContact CD1-CG1 4.18Å; L300-I322 HydrophobicContact CD1-CG2 4.06Å; L300-I322 HydrophobicContact CD2-CG2 4.1Å; L300-I322 HydrophobicContact CG-CG2 4.09Å; L300-L327 HydrophobicContact CD2-CB 4.47Å; L300-L327 HydrophobicContact CD2-CD1 4.24Å; L300-A330 HydrophobicContact CD2-CB 3.94Å
301	I	91.4	Very high	90.1	Very high	33 Å²	33	70.6 Å²	70.6	17%	0.169	36%	0.361	C	S	.	.	H	α-helix	trans	-63	-46.6	177.8	-71	163	0	0	0	110.2	A297 E298 A303 F304 D305 L327 A330 Q331 L334	A297-I301 WeakPolarHBondContact O-CD1 3.45Å; A297-I301 VanDerWaalsContact O-CG1 3.29Å; A297-I301 WeakPolarHBondContact O-CG1 3.43Å; A297-I301 PolarHBondContact O-N 3.03Å; E298-I301 PolarHBondContact O-N 3.32Å; I301-A303 PolarHBondContact O-N 2.95Å; I301-F304 PolarHBondContact O-N 3.15Å; I301-D305 PolarHBondContact O-N 3.34Å; I301-L327 HydrophobicContact CB-CD1 4.26Å; I301-L327 HydrophobicContact CG1-CD1 3.68Å; I301-L327 HydrophobicContact CG2-CD1 4.49Å; I301-A330 HydrophobicContact CD1-CB 4.06Å; I301-A330 HydrophobicContact CG1-CB 3.95Å; I301-Q331 HydrophobicContact CD1-CG 4.05Å; I301-Q331 HydrophobicContact CG1-CG 4.46Å; I301-L334 HydrophobicContact CD1-CD1 3.47Å; I301-L334 VanDerWaalsContact CD1-CD1 3.47Å; I301-L334 HydrophobicContact CD1-CG 4.16Å
302	A	92.5	Very high	89.8	Confident	61 Å²	61	67.2 Å²	67.2	50%	0.504	34%	0.344	S	S	.	.	H	α-helix	trans	-60.7	-43.4	177.4	0	0	0	0	0	112.2	E298 E299 D305 Q306	E298-A302 PolarHBondContact O-N 3.41Å; E299-A302 PolarHBondContact O-N 2.82Å; A302-D305 PolarHBondContact O-N 3.44Å; A302-Q306 PolarHBondContact O-N 3.01Å; A302-Q306 VanDerWaalsContact O-N 3.15Å
303	A	91.5	Very high	89.4	Confident	16 Å²	16	64 Å²	64	13%	0.132	34%	0.339	C	S	.	.	H	α-helix	trans	-64.1	-41.2	176.1	0	0	0	0	0	111.7	E299 L300 I301 Q306 H307 F315 F317	E299-A303 VanDerWaalsContact O-CB 3.31Å; E299-A303 WeakPolarHBondContact O-CB 3.4Å; E299-A303 PolarHBondContact O-N 3.35Å; L300-A303 PolarHBondContact O-N 3.43Å; I301-A303 PolarHBondContact O-N 2.95Å; A303-Q306 PolarHBondContact O-N 3.33Å; A303-H307 PolarHBondContact O-N 3.22Å; A303-H307 PolarHBondContact O-ND1 2.86Å; A303-F315 HydrophobicContact CB-CE2 3.78Å; A303-F315 HydrophobicContact CB-CZ 4.13Å; A303-F317 HydrophobicContact CB-CD2 3.99Å; A303-F317 HydrophobicContact CB-CE2 4.17Å
304	F	90.3	Very high	89.4	Confident	3 Å²	3	61.3 Å²	61.3	1%	0.013	34%	0.34	C	S	.	.	H	α-helix	trans	-61.8	-45.8	177	-171.5	-82.5	0	0	0	111.4	W25 L300 I301 Q306 H307 Q308 F315 L324 L327	W25-F304 HydrophobicContact CZ2-CE1 4.3Å; L300-F304 WeakPolarHBondContact O-CB 3.38Å; L300-F304 PolarHBondContact O-N 2.84Å; I301-F304 PolarHBondContact O-N 3.15Å; F304-Q306 VanDerWaalsContact C-N 3.28Å; F304-Q306 PolarHBondContact O-N 2.95Å; F304-H307 PolarHBondContact O-N 3.4Å; F304-Q308 HydrophobicContact CD1-CG 3.61Å; F304-Q308 HydrophobicContact CE1-CG 3.24Å; F304-Q308 HydrophobicContact CZ-CG 3.89Å; F304-Q308 WeakPolarHBondContact O-CG 3.35Å; F304-Q308 PolarHBondContact O-N 3.42Å; F304-F315 HydrophobicContact CB-CE1 3.99Å; F304-F315 HydrophobicContact CB-CZ 3.91Å; F304-F315 AromaticContact CD2-CE1 3.64Å; F304-F315 HydrophobicContact CD2-CE1 3.64Å; F304-F315 HydrophobicContact CD2-CZ 4.24Å; F304-F315 HydrophobicContact CE2-CE1 4.5Å; F304-F315 HydrophobicContact CG-CE1 4.14Å; F304-L324 HydrophobicContact CE1-CD1 4.44Å; F304-L324 HydrophobicContact CE2-CD1 4.46Å; F304-L324 HydrophobicContact CZ-CD1 3.76Å; F304-L327 HydrophobicContact CB-CD1 3.91Å; F304-L327 HydrophobicContact CD1-CD1 4.03Å; F304-L327 HydrophobicContact CD1-CD2 3.66Å; F304-L327 HydrophobicContact CD1-CG 4.36Å; F304-L327 HydrophobicContact CD2-CB 4.13Å; F304-L327 HydrophobicContact CD2-CD1 4.35Å; F304-L327 HydrophobicContact CD2-CD2 4.37Å; F304-L327 HydrophobicContact CE1-CD2 3.53Å; F304-L327 HydrophobicContact CE2-CB 4.26Å; F304-L327 HydrophobicContact CE2-CD2 4.29Å; F304-L327 HydrophobicContact CG-CB 4.44Å; F304-L327 HydrophobicContact CG-CD1 3.85Å; F304-L327 HydrophobicContact CG-CD2 4.11Å; F304-L327 HydrophobicContact CG-CG 4.36Å; F304-L327 HydrophobicContact CZ-CD2 3.89Å
305	D	89.1	Confident	89.3	Confident	86 Å²	86	60.5 Å²	60.5	46%	0.46	34%	0.335	S	S	.	.	H	α-helix	trans	-61.3	-35.9	178.1	-76.7	-14	0	0	0	112.5	I301 A302 K309	I301-D305 PolarHBondContact O-N 3.34Å; A302-D305 PolarHBondContact O-N 3.44Å; D305-K309 WeakPolarHBondContact O-CG 3.29Å; D305-K309 PolarHBondContact O-N 3.46Å
306	Q	89.9	Confident	89.2	Confident	114 Å²	114	61 Å²	61	53%	0.533	34%	0.344	S	S	.	.	H	α-helix	trans	-66.5	-48.1	173.2	-176.4	177.8	-6.5	0	0	111.5	A302 A303 F304 Q308 K309 E310	A302-Q306 PolarHBondContact O-N 3.01Å; A302-Q306 VanDerWaalsContact O-N 3.15Å; A303-Q306 PolarHBondContact O-N 3.33Å; F304-Q306 VanDerWaalsContact C-N 3.28Å; F304-Q306 PolarHBondContact O-N 2.95Å; Q306-Q308 VanDerWaalsContact C-N 3.35Å; Q306-Q308 PolarHBondContact O-N 3.14Å; Q306-K309 WeakPolarHBondContact O-CB 3.5Å; Q306-K309 PolarHBondContact O-N 3.3Å; Q306-E310 PolarHBondContact O-N 3.25Å
307	H	89.3	Confident	89.1	Confident	39 Å²	39	60.2 Å²	60.2	18%	0.181	34%	0.342	C	S	.	.	H	α-helix	trans	-68.6	-32.1	-177.2	-75.1	80.3	0	0	0	112.9	A303 F304 K309 E310 G311 K312 F315	A303-H307 PolarHBondContact O-N 3.22Å; A303-H307 PolarHBondContact O-ND1 2.86Å; F304-H307 PolarHBondContact O-N 3.4Å; H307-K309 VanDerWaalsContact C-N 3.34Å; H307-E310 CarbonylContact O-C 3.52Å; H307-E310 WeakPolarHBondContact O-CA 3.39Å; H307-E310 WeakPolarHBondContact O-CB 3.38Å; H307-E310 PolarHBondContact O-N 3.2Å; H307-E310 VanDerWaalsContact O-N 3.12Å; H307-G311 PolarHBondContact O-N 2.93Å; H307-K312 HydrophobicContact CB-CB 4.24Å; H307-K312 PolarHBondContact O-N 3.26Å; H307-F315 HydrophobicContact CB-CB 4.47Å; H307-F315 HydrophobicContact CB-CD1 3.72Å; H307-F315 HydrophobicContact CB-CE1 4.11Å; H307-F315 HydrophobicContact CB-CG 4.11Å; H307-F315 WeakPolarHBondContact CD2-CB 3.44Å; H307-F315 AromaticContact CD2-CG 3.58Å; H307-F315 AromaticContact CE1-CD2 3.67Å; H307-F315 AromaticContact CE1-CG 3.96Å; H307-F315 AromaticContact CG-CD1 3.72Å; H307-F315 AromaticContact CG-CD2 3.99Å; H307-F315 AromaticContact CG-CG 3.57Å; H307-F315 AromaticContact ND1-CD2 3.73Å; H307-F315 AromaticContact ND1-CG 3.82Å; H307-F315 AromaticContact NE2-CD2 3.89Å; H307-F315 AromaticContact NE2-CG 3.84Å
308	Q	86.3	Confident	89.1	Confident	47 Å²	47	67.3 Å²	67.3	22%	0.22	37%	0.369	C	S	.	.	H	α-helix	trans	-63.6	-38.6	172.8	-75.7	-59.4	-33.1	0	0	112.4	W25 F304 Q306 E310 G311 K312	W25-Q308 HydrophobicContact CH2-CG 4.13Å; W25-Q308 HydrophobicContact CZ2-CG 3.95Å; F304-Q308 HydrophobicContact CD1-CG 3.61Å; F304-Q308 HydrophobicContact CE1-CG 3.24Å; F304-Q308 HydrophobicContact CZ-CG 3.89Å; F304-Q308 WeakPolarHBondContact O-CG 3.35Å; F304-Q308 PolarHBondContact O-N 3.42Å; Q306-Q308 VanDerWaalsContact C-N 3.35Å; Q306-Q308 PolarHBondContact O-N 3.14Å; Q308-E310 PolarHBondContact O-N 3.19Å; Q308-G311 PolarHBondContact O-N 3.09Å; Q308-K312 PolarHBondContact NE2-O 3.18Å
309	K	89.4	Confident	88.8	Confident	179 Å²	179	65.6 Å²	65.6	78%	0.778	38%	0.38	S	S	*	.	H	α-helix	trans	-62.9	-25.6	174.1	-68.3	168.5	-174.4	173.2	0	112.4	D305 Q306 H307 G311	D305-K309 WeakPolarHBondContact O-CG 3.29Å; D305-K309 PolarHBondContact O-N 3.46Å; Q306-K309 WeakPolarHBondContact O-CB 3.5Å; Q306-K309 PolarHBondContact O-N 3.3Å; H307-K309 VanDerWaalsContact C-N 3.34Å; K309-G311 VanDerWaalsContact C-N 3.35Å
310	E	90.3	Very high	88.4	Confident	97 Å²	97	65.9 Å²	65.9	45%	0.453	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	2.1	175.4	-61.9	175.8	-167.4	0	0	113.4	Q306 H307 Q308 K312	Q306-E310 PolarHBondContact O-N 3.25Å; H307-E310 CarbonylContact O-C 3.52Å; H307-E310 WeakPolarHBondContact O-CA 3.39Å; H307-E310 WeakPolarHBondContact O-CB 3.38Å; H307-E310 PolarHBondContact O-N 3.2Å; H307-E310 VanDerWaalsContact O-N 3.12Å; Q308-E310 PolarHBondContact O-N 3.19Å; E310-K312 VanDerWaalsContact C-N 3.33Å; E310-K312 HydrophobicContact CB-CD 4.36Å; E310-K312 HydrophobicContact CB-CG 4.45Å; E310-K312 PolarHBondContact O-N 3.15Å; E310-K312 WeakPolarHBondContact OE2-CE 3.45Å; E310-K312 IonicContact OE2-NZ 2.73Å; E310-K312 PolarHBondContact OE2-NZ 3.24Å
311	G	87.4	Confident	88.2	Confident	68 Å²	68	73.3 Å²	73.3	70%	0.701	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.4	19.6	-178.9	0	0	0	0	0	114.6	H307 Q308 K309	H307-G311 PolarHBondContact O-N 2.93Å; Q308-G311 PolarHBondContact O-N 3.09Å; K309-G311 VanDerWaalsContact C-N 3.35Å
312	K	83.9	Confident	88	Confident	98 Å²	98	72.1 Å²	72.1	43%	0.426	42%	0.42	S	S	.	.			trans	-97.3	116.9	-180	-66.9	171.3	-177.9	160.9	0	110.9	H307 Q308 E310	H307-K312 HydrophobicContact CB-CB 4.24Å; H307-K312 PolarHBondContact O-N 3.26Å; Q308-K312 PolarHBondContact NE2-O 3.18Å; E310-K312 VanDerWaalsContact C-N 3.33Å; E310-K312 HydrophobicContact CB-CD 4.36Å; E310-K312 HydrophobicContact CB-CG 4.45Å; E310-K312 PolarHBondContact O-N 3.15Å; E310-K312 WeakPolarHBondContact OE2-CE 3.45Å; E310-K312 IonicContact OE2-NZ 2.73Å; E310-K312 PolarHBondContact OE2-NZ 3.24Å
313	G	79.4	Confident	87.6	Confident	53 Å²	53	72.6 Å²	72.6	55%	0.546	41%	0.414	S	S	.	.	S	Bend	trans	-81.1	-18.9	177.8	0	0	0	0	0	115.1
314	A	85.6	Confident	87.1	Confident	54 Å²	54	74.3 Å²	74.3	45%	0.446	42%	0.421	S	S	.	.			trans	-142.1	144.3	175.9	0	0	0	0	0	109.7	I322	A314-I322 VanDerWaalsContact CA-O 3.3Å; A314-I322 WeakPolarHBondContact CA-O 3.14Å
315	F	88.3	Confident	86.7	Confident	13 Å²	13	77.7 Å²	77.7	6%	0.057	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	163.4	-179.1	61.9	-83.5	0	0	0	111.7	A303 F304 H307 F317 I322	A303-F315 HydrophobicContact CB-CE2 3.78Å; A303-F315 HydrophobicContact CB-CZ 4.13Å; F304-F315 HydrophobicContact CB-CE1 3.99Å; F304-F315 HydrophobicContact CB-CZ 3.91Å; F304-F315 AromaticContact CD2-CE1 3.64Å; F304-F315 HydrophobicContact CD2-CE1 3.64Å; F304-F315 HydrophobicContact CD2-CZ 4.24Å; F304-F315 HydrophobicContact CE2-CE1 4.5Å; F304-F315 HydrophobicContact CG-CE1 4.14Å; H307-F315 HydrophobicContact CB-CB 4.47Å; H307-F315 HydrophobicContact CB-CD1 3.72Å; H307-F315 HydrophobicContact CB-CE1 4.11Å; H307-F315 HydrophobicContact CB-CG 4.11Å; H307-F315 WeakPolarHBondContact CD2-CB 3.44Å; H307-F315 AromaticContact CD2-CG 3.58Å; H307-F315 AromaticContact CE1-CD2 3.67Å; H307-F315 AromaticContact CE1-CG 3.96Å; H307-F315 AromaticContact CG-CD1 3.72Å; H307-F315 AromaticContact CG-CD2 3.99Å; H307-F315 AromaticContact CG-CG 3.57Å; H307-F315 AromaticContact ND1-CD2 3.73Å; H307-F315 AromaticContact ND1-CG 3.82Å; H307-F315 AromaticContact NE2-CD2 3.89Å; H307-F315 AromaticContact NE2-CG 3.84Å; F315-F317 HydrophobicContact CD2-CB 4.22Å; F315-F317 HydrophobicContact CE2-CB 3.87Å; F315-F317 HydrophobicContact CE2-CG 4.49Å; F315-I322 HydrophobicContact CE1-CB 4.35Å; F315-I322 HydrophobicContact CE1-CG2 4.03Å; F315-I322 HydrophobicContact CE2-CB 4.29Å; F315-I322 HydrophobicContact CE2-CG2 4.4Å; F315-I322 HydrophobicContact CZ-CB 4.13Å; F315-I322 HydrophobicContact CZ-CG2 3.8Å; F315-I322 PolarHBondContact N-O 3Å; F315-I322 VanDerWaalsContact N-O 3.16Å; F315-I322 PolarHBondContact O-N 3.44Å
316	T	90.3	Very high	86.3	Confident	105 Å²	105	74.6 Å²	74.6	64%	0.644	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.5	127	175.1	-58.1	0	0	0	0	109.6	S320	T316-S320 CarbonylContact C-O 3.58Å; T316-S320 WeakPolarHBondContact CA-O 3.12Å
317	F	89.3	Confident	86	Confident	26 Å²	26	69.8 Å²	69.8	11%	0.114	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	124	174.3	180	-105.8	0	0	0	108.9	W296 E299 L300 A303 F315 G319 S320 I322	W296-F317 AromaticContact CD1-CE1 3.76Å; W296-F317 AromaticContact NE1-CE1 3.68Å; E299-F317 HydrophobicContact CB-CE2 4.15Å; E299-F317 HydrophobicContact CB-CZ 3.71Å; L300-F317 HydrophobicContact CB-CD1 4.38Å; L300-F317 HydrophobicContact CB-CE1 3.98Å; L300-F317 HydrophobicContact CB-CZ 4.28Å; L300-F317 HydrophobicContact CD1-CD1 4.29Å; L300-F317 HydrophobicContact CD1-CE1 4.49Å; L300-F317 HydrophobicContact CG-CD1 4.44Å; A303-F317 HydrophobicContact CB-CD2 3.99Å; A303-F317 HydrophobicContact CB-CE2 4.17Å; F315-F317 HydrophobicContact CD2-CB 4.22Å; F315-F317 HydrophobicContact CE2-CB 3.87Å; F315-F317 HydrophobicContact CE2-CG 4.49Å; F317-G319 PolarHBondContact O-N 2.89Å; F317-G319 VanDerWaalsContact O-N 3.14Å; F317-S320 PolarHBondContact N-O 3.38Å; F317-S320 PolarHBondContact O-N 3.07Å; F317-I322 HydrophobicContact CB-CB 4.48Å; F317-I322 HydrophobicContact CB-CG1 3.51Å; F317-I322 HydrophobicContact CD1-CG1 4.38Å; F317-I322 HydrophobicContact CG-CG1 4.35Å
318	R	88.4	Confident	85.5	Confident	149 Å²	149	71.9 Å²	71.9	56%	0.562	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.2	42.7	-177.1	-61.6	-177.6	173.8	-157.1	-2	113.1	E299 S320	E299-R318 IonicContact OE1-NH2 3.37Å; E299-R318 PolarHBondContact OE1-NH2 3.3Å; E299-R318 IonicContact OE2-CZ 3.8Å; E299-R318 IonicContact OE2-NE 3.2Å; E299-R318 PolarHBondContact OE2-NE 2.94Å; E299-R318 IonicContact OE2-NH2 3.17Å; E299-R318 PolarHBondContact OE2-NH2 2.81Å; R318-S320 VanDerWaalsContact C-N 3.27Å; R318-S320 PolarHBondContact O-N 3.4Å
319	G	87.3	Confident	85.1	Confident	73 Å²	73	74.7 Å²	74.7	75%	0.753	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.8	1.4	179	0	0	0	0	0	115.9	F317	F317-G319 PolarHBondContact O-N 2.89Å; F317-G319 VanDerWaalsContact O-N 3.14Å
320	S	85.3	Confident	84.8	Confident	70 Å²	70	66.2 Å²	66.2	49%	0.49	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	145.9	176.7	-62.1	0	0	0	0	111.5	T316 F317 R318	T316-S320 CarbonylContact C-O 3.58Å; T316-S320 WeakPolarHBondContact CA-O 3.12Å; F317-S320 PolarHBondContact N-O 3.38Å; F317-S320 PolarHBondContact O-N 3.07Å; R318-S320 VanDerWaalsContact C-N 3.27Å; R318-S320 PolarHBondContact O-N 3.4Å
321	M	87.8	Confident	84.5	Confident	155 Å²	155	65.8 Å²	65.8	76%	0.764	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.7	125.2	171.1	-172.6	-168.5	-60.5	0	0	109.4
322	I	87.3	Confident	84.2	Confident	9 Å²	9	68 Å²	68	5%	0.046	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	137.1	179.1	-61.8	-51.7	0	0	0	109.7	L300 A314 F315 F317	L300-I322 HydrophobicContact CD1-CD1 3.9Å; L300-I322 HydrophobicContact CD1-CG1 4.18Å; L300-I322 HydrophobicContact CD1-CG2 4.06Å; L300-I322 HydrophobicContact CD2-CG2 4.1Å; L300-I322 HydrophobicContact CG-CG2 4.09Å; A314-I322 VanDerWaalsContact CA-O 3.3Å; A314-I322 WeakPolarHBondContact CA-O 3.14Å; F315-I322 HydrophobicContact CE1-CB 4.35Å; F315-I322 HydrophobicContact CE1-CG2 4.03Å; F315-I322 HydrophobicContact CE2-CB 4.29Å; F315-I322 HydrophobicContact CE2-CG2 4.4Å; F315-I322 HydrophobicContact CZ-CB 4.13Å; F315-I322 HydrophobicContact CZ-CG2 3.8Å; F315-I322 PolarHBondContact N-O 3Å; F315-I322 VanDerWaalsContact N-O 3.16Å; F315-I322 PolarHBondContact O-N 3.44Å; F317-I322 HydrophobicContact CB-CB 4.48Å; F317-I322 HydrophobicContact CB-CG1 3.51Å; F317-I322 HydrophobicContact CD1-CG1 4.38Å; F317-I322 HydrophobicContact CG-CG1 4.35Å
323	D	83.7	Confident	84.2	Confident	71 Å²	71	64.3 Å²	64.3	38%	0.38	37%	0.369	S	S	.	.			trans	-134.3	-172.7	175.7	67.5	-1.1	0	0	0	111.2	P325 S326 L327	D323-P325 VanDerWaalsContact CG-CD 3.41Å; D323-P325 WeakPolarHBondContact OD1-CB 3.37Å; D323-P325 WeakPolarHBondContact OD1-CD 3.38Å; D323-S326 PolarHBondContact O-N 3.21Å; D323-S326 PolarHBondContact OD1-N 3.43Å; D323-L327 PolarHBondContact O-N 2.94Å
324	L	80.7	Confident	84.4	Confident	52 Å²	52	63.9 Å²	63.9	27%	0.272	35%	0.354	S	S	.	.	H	α-helix	trans	-60	-39.9	-177.2	-170.1	70.5	0	0	0	113.9	F304 S326 L327 K328	F304-L324 HydrophobicContact CE1-CD1 4.44Å; F304-L324 HydrophobicContact CE2-CD1 4.46Å; F304-L324 HydrophobicContact CZ-CD1 3.76Å; L324-S326 PolarHBondContact O-N 3.23Å; L324-L327 HydrophobicContact CD1-CD2 4.03Å; L324-L327 WeakPolarHBondContact O-CB 3.39Å; L324-L327 PolarHBondContact O-N 3.41Å; L324-K328 PolarHBondContact O-N 2.7Å
325	P	81.2	Confident	84.3	Confident	73 Å²	73	65.3 Å²	65.3	47%	0.474	36%	0.357	S	S	.	.	H	α-helix	trans	-50.9	-46.7	168.2	-30.2	30	0	0	0	115	D323 L327 K328 Q329	D323-P325 VanDerWaalsContact CG-CD 3.41Å; D323-P325 WeakPolarHBondContact OD1-CB 3.37Å; D323-P325 WeakPolarHBondContact OD1-CD 3.38Å; P325-L327 VanDerWaalsContact C-N 3.29Å; P325-L327 PolarHBondContact O-N 3.17Å; P325-K328 PolarHBondContact O-N 3.03Å; P325-Q329 PolarHBondContact O-N 2.81Å; P325-Q329 VanDerWaalsContact O-N 3.16Å
326	S	81.4	Confident	83.9	Confident	21 Å²	21	66.5 Å²	66.5	15%	0.147	36%	0.364	C	S	.	.	H	α-helix	trans	-63	-35.2	178.3	-62	0	0	0	0	112.7	D323 L324 Q329 A330	D323-S326 PolarHBondContact O-N 3.21Å; D323-S326 PolarHBondContact OD1-N 3.43Å; L324-S326 PolarHBondContact O-N 3.23Å; S326-Q329 PolarHBondContact O-N 3.16Å; S326-A330 PolarHBondContact O-N 3.38Å; S326-A330 VanDerWaalsContact O-N 3.08Å
327	L	82.8	Confident	83.8	Confident	13 Å²	13	62 Å²	62	7%	0.068	34%	0.338	C	S	.	.	H	α-helix	trans	-61.3	-46.2	173.2	-179.2	73.1	0	0	0	111.7	L300 I301 F304 D323 L324 P325 Q329 A330 Q331	L300-L327 HydrophobicContact CD2-CB 4.47Å; L300-L327 HydrophobicContact CD2-CD1 4.24Å; I301-L327 HydrophobicContact CB-CD1 4.26Å; I301-L327 HydrophobicContact CG1-CD1 3.68Å; I301-L327 HydrophobicContact CG2-CD1 4.49Å; F304-L327 HydrophobicContact CB-CD1 3.91Å; F304-L327 HydrophobicContact CD1-CD1 4.03Å; F304-L327 HydrophobicContact CD1-CD2 3.66Å; F304-L327 HydrophobicContact CD1-CG 4.36Å; F304-L327 HydrophobicContact CD2-CB 4.13Å; F304-L327 HydrophobicContact CD2-CD1 4.35Å; F304-L327 HydrophobicContact CD2-CD2 4.37Å; F304-L327 HydrophobicContact CE1-CD2 3.53Å; F304-L327 HydrophobicContact CE2-CB 4.26Å; F304-L327 HydrophobicContact CE2-CD2 4.29Å; F304-L327 HydrophobicContact CG-CB 4.44Å; F304-L327 HydrophobicContact CG-CD1 3.85Å; F304-L327 HydrophobicContact CG-CD2 4.11Å; F304-L327 HydrophobicContact CG-CG 4.36Å; F304-L327 HydrophobicContact CZ-CD2 3.89Å; D323-L327 PolarHBondContact O-N 2.94Å; L324-L327 HydrophobicContact CD1-CD2 4.03Å; L324-L327 WeakPolarHBondContact O-CB 3.39Å; L324-L327 PolarHBondContact O-N 3.41Å; P325-L327 VanDerWaalsContact C-N 3.29Å; P325-L327 PolarHBondContact O-N 3.17Å; L327-Q329 VanDerWaalsContact C-N 3.26Å; L327-Q329 PolarHBondContact O-N 3.45Å; L327-A330 WeakPolarHBondContact O-CB 3.5Å; L327-A330 PolarHBondContact O-N 2.88Å; L327-A330 VanDerWaalsContact O-N 3.15Å; L327-Q331 HydrophobicContact CG-CG 4.47Å; L327-Q331 WeakPolarHBondContact O-CG 3.48Å; L327-Q331 PolarHBondContact O-N 3.33Å
328	K	79.9	Confident	83.6	Confident	83 Å²	83	63.4 Å²	63.4	36%	0.361	35%	0.354	S	S	.	.	H	α-helix	trans	-60.1	-38.4	178.4	-71.5	179.9	173.9	-174	0	111.5	C32 L324 P325 Q331 N332	C32-K328 PolarHBondContact O-NZ 3.41Å; L324-K328 PolarHBondContact O-N 2.7Å; P325-K328 PolarHBondContact O-N 3.03Å; K328-Q331 PolarHBondContact O-N 2.75Å; K328-N332 PolarHBondContact O-N 2.9Å; K328-N332 PolarHBondContact O-ND2 2.89Å; K328-N332 PolarHBondContact O-OD1 3.32Å
329	Q	77.8	Confident	83.2	Confident	107 Å²	107	57.3 Å²	57.3	50%	0.5	34%	0.335	S	S	.	.	H	α-helix	trans	-63.3	-45.3	174.8	-66.4	177	11	0	0	111.8	P325 S326 L327 N332 I333	P325-Q329 PolarHBondContact O-N 2.81Å; P325-Q329 VanDerWaalsContact O-N 3.16Å; S326-Q329 PolarHBondContact O-N 3.16Å; L327-Q329 VanDerWaalsContact C-N 3.26Å; L327-Q329 PolarHBondContact O-N 3.45Å; Q329-N332 PolarHBondContact O-N 2.81Å; Q329-I333 WeakPolarHBondContact O-CG1 3.47Å; Q329-I333 PolarHBondContact O-N 3.28Å; Q329-I333 VanDerWaalsContact O-N 3.14Å
330	A	82.9	Confident	83	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-61.1	-43.6	175.9	0	0	0	0	0	112.2	W296 A297 L300 I301 S326 L327 N332 I333 L334	W296-A330 HydrophobicContact CZ3-CB 4.15Å; A297-A330 HydrophobicContact CB-CB 3.76Å; L300-A330 HydrophobicContact CD2-CB 3.94Å; I301-A330 HydrophobicContact CD1-CB 4.06Å; I301-A330 HydrophobicContact CG1-CB 3.95Å; S326-A330 PolarHBondContact O-N 3.38Å; S326-A330 VanDerWaalsContact O-N 3.08Å; L327-A330 WeakPolarHBondContact O-CB 3.5Å; L327-A330 PolarHBondContact O-N 2.88Å; L327-A330 VanDerWaalsContact O-N 3.15Å; A330-N332 VanDerWaalsContact C-N 3.33Å; A330-N332 PolarHBondContact O-N 2.87Å; A330-I333 WeakPolarHBondContact O-CB 3.2Å; A330-I333 PolarHBondContact O-N 3.47Å; A330-I333 VanDerWaalsContact O-N 3.17Å; A330-L334 PolarHBondContact O-N 2.63Å; A330-L334 VanDerWaalsContact O-N 3.08Å
331	Q	83.3	Confident	82.4	Confident	89 Å²	89	55.8 Å²	55.8	42%	0.416	31%	0.313	S	S	.	.	H	α-helix	trans	-61.2	-39.8	176.7	-72.1	173.3	-22.2	0	0	112.6	I301 L327 K328 I333 L334 T335	I301-Q331 HydrophobicContact CD1-CG 4.05Å; I301-Q331 HydrophobicContact CG1-CG 4.46Å; L327-Q331 HydrophobicContact CG-CG 4.47Å; L327-Q331 WeakPolarHBondContact O-CG 3.48Å; L327-Q331 PolarHBondContact O-N 3.33Å; K328-Q331 PolarHBondContact O-N 2.75Å; Q331-I333 VanDerWaalsContact C-N 3.33Å; Q331-I333 PolarHBondContact O-N 3.08Å; Q331-L334 PolarHBondContact O-N 2.73Å; Q331-T335 WeakPolarHBondContact O-CB 3.48Å; Q331-T335 PolarHBondContact O-N 2.99Å; Q331-T335 PolarHBondContact O-OG1 3.2Å
332	N	81	Confident	80.9	Confident	113 Å²	113	56.5 Å²	56.5	60%	0.604	31%	0.311	S	S	*	.	H	α-helix	trans	-63.1	-40.2	175.6	-69.6	-17.1	0	0	0	111.7	K328 Q329 A330 T335 L336	K328-N332 PolarHBondContact O-N 2.9Å; K328-N332 PolarHBondContact O-ND2 2.89Å; K328-N332 PolarHBondContact O-OD1 3.32Å; Q329-N332 PolarHBondContact O-N 2.81Å; A330-N332 VanDerWaalsContact C-N 3.33Å; A330-N332 PolarHBondContact O-N 2.87Å; N332-T335 PolarHBondContact O-N 3.26Å; N332-L336 WeakPolarHBondContact O-CB 3.5Å; N332-L336 PolarHBondContact O-N 3.32Å
333	I	83.8	Confident	79.1	Confident	21 Å²	21	62 Å²	62	11%	0.108	34%	0.335	C	S	.	.	H	α-helix	trans	-61.7	-48.9	176.7	-69.5	166.4	0	0	0	110.7	P289 V294 W296 A297 Q329 A330 Q331 T335 L336 A337	P289-I333 HydrophobicContact CB-CG2 3.82Å; P289-I333 HydrophobicContact CG-CG2 4.43Å; V294-I333 HydrophobicContact CG2-CG2 4.32Å; W296-I333 HydrophobicContact CE3-CD1 4.17Å; W296-I333 HydrophobicContact CZ3-CD1 3.82Å; A297-I333 HydrophobicContact CB-CB 4.09Å; A297-I333 HydrophobicContact CB-CD1 4.44Å; A297-I333 HydrophobicContact CB-CG2 3.96Å; Q329-I333 WeakPolarHBondContact O-CG1 3.47Å; Q329-I333 PolarHBondContact O-N 3.28Å; Q329-I333 VanDerWaalsContact O-N 3.14Å; A330-I333 WeakPolarHBondContact O-CB 3.2Å; A330-I333 PolarHBondContact O-N 3.47Å; A330-I333 VanDerWaalsContact O-N 3.17Å; Q331-I333 VanDerWaalsContact C-N 3.33Å; Q331-I333 PolarHBondContact O-N 3.08Å; I333-T335 VanDerWaalsContact C-N 3.35Å; I333-T335 PolarHBondContact O-N 3.25Å; I333-L336 PolarHBondContact O-N 3.48Å; I333-A337 WeakPolarHBondContact O-CB 3.38Å; I333-A337 PolarHBondContact O-N 3.12Å
334	L	85.3	Confident	78.8	Confident	44 Å²	44	61.6 Å²	61.6	23%	0.23	33%	0.333	C	S	.	.	H	α-helix	trans	-67.6	-35.5	-179.9	-61	-167.8	0	0	0	112.7	V294 A297 E298 I301 A330 Q331 A337 A338	V294-L334 HydrophobicContact CG1-CD2 3.83Å; A297-L334 HydrophobicContact CB-CD2 3.8Å; A297-L334 HydrophobicContact CB-CG 4Å; E298-L334 HydrophobicContact CG-CD1 3.89Å; E298-L334 HydrophobicContact CG-CD2 3.69Å; E298-L334 HydrophobicContact CG-CG 4.46Å; I301-L334 HydrophobicContact CD1-CD1 3.47Å; I301-L334 VanDerWaalsContact CD1-CD1 3.47Å; I301-L334 HydrophobicContact CD1-CG 4.16Å; A330-L334 PolarHBondContact O-N 2.63Å; A330-L334 VanDerWaalsContact O-N 3.08Å; Q331-L334 PolarHBondContact O-N 2.73Å; L334-A337 PolarHBondContact O-N 3.49Å; L334-A338 VanDerWaalsContact O-CB 3.3Å; L334-A338 WeakPolarHBondContact O-CB 3.44Å; L334-A338 PolarHBondContact O-N 3.01Å
335	T	82.5	Confident	78.7	Confident	84 Å²	84	62.1 Å²	62.1	52%	0.515	34%	0.336	S	S	.	.	H	α-helix	trans	-62	-45.5	175	-58.7	0	0	0	0	110.8	Q331 N332 I333 A339	Q331-T335 WeakPolarHBondContact O-CB 3.48Å; Q331-T335 PolarHBondContact O-N 2.99Å; Q331-T335 PolarHBondContact O-OG1 3.2Å; N332-T335 PolarHBondContact O-N 3.26Å; I333-T335 VanDerWaalsContact C-N 3.35Å; I333-T335 PolarHBondContact O-N 3.25Å; T335-A339 PolarHBondContact O-N 2.98Å; T335-A339 VanDerWaalsContact O-N 3.13Å
336	L	81.1	Confident	78.6	Confident	39 Å²	39	61.5 Å²	61.5	20%	0.204	33%	0.329	C	S	.	.	H	α-helix	trans	-64.9	-47.4	175.8	-179.8	60.3	0	0	0	111.3	Y45 N332 I333 A338 A339 V340	Y45-L336 HydrophobicContact CE1-CD1 3.99Å; N332-L336 WeakPolarHBondContact O-CB 3.5Å; N332-L336 PolarHBondContact O-N 3.32Å; I333-L336 PolarHBondContact O-N 3.48Å; L336-A338 PolarHBondContact O-N 2.87Å; L336-A339 PolarHBondContact O-N 2.8Å; L336-V340 HydrophobicContact CD1-CG2 4Å; L336-V340 HydrophobicContact CG-CG2 4.4Å; L336-V340 WeakPolarHBondContact O-CB 3.35Å; L336-V340 VanDerWaalsContact O-CG2 3.24Å; L336-V340 WeakPolarHBondContact O-CG2 3.05Å; L336-V340 PolarHBondContact O-N 2.74Å
337	A	86.3	Confident	78.4	Confident	11 Å²	11	63.9 Å²	63.9	9%	0.091	34%	0.339	C	S	.	.	H	α-helix	trans	-57.2	-47.7	178.4	0	0	0	0	0	111.3	P289 V294 I333 L334 A339 V340 S341	P289-A337 HydrophobicContact CG-CB 3.86Å; V294-A337 HydrophobicContact CG2-CB 3.76Å; I333-A337 WeakPolarHBondContact O-CB 3.38Å; I333-A337 PolarHBondContact O-N 3.12Å; L334-A337 PolarHBondContact O-N 3.49Å; A337-A339 VanDerWaalsContact C-N 3.33Å; A337-A339 PolarHBondContact O-N 3.4Å; A337-V340 CarbonylContact O-C 3.56Å; A337-V340 PolarHBondContact O-N 2.76Å; A337-V340 VanDerWaalsContact O-N 3.12Å; A337-S341 VanDerWaalsContact O-CB 3.32Å; A337-S341 WeakPolarHBondContact O-CB 3.47Å; A337-S341 PolarHBondContact O-N 3.48Å; A337-S341 PolarHBondContact O-OG 2.87Å; A337-S341 VanDerWaalsContact O-OG 3.07Å
338	A	85.2	Confident	78.2	Confident	54 Å²	54	67.1 Å²	67.1	45%	0.446	36%	0.356	S	S	.	.	H	α-helix	trans	-62.4	-37.5	178.1	0	0	0	0	0	112.9	L334 L336 V340 K342	L334-A338 VanDerWaalsContact O-CB 3.3Å; L334-A338 WeakPolarHBondContact O-CB 3.44Å; L334-A338 PolarHBondContact O-N 3.01Å; L336-A338 PolarHBondContact O-N 2.87Å; A338-V340 VanDerWaalsContact C-N 3.31Å; A338-K342 WeakPolarHBondContact O-CG 3.3Å; A338-K342 PolarHBondContact O-N 3.02Å
339	A	81.2	Confident	78	Confident	21 Å²	21	66 Å²	66	17%	0.174	36%	0.356	C	S	.	.	H	α-helix	trans	-68.7	-32.1	176.3	0	0	0	0	0	112.5	Y45 P47 T335 L336 A337	Y45-A339 HydrophobicContact CD1-CB 3.7Å; Y45-A339 HydrophobicContact CE1-CB 4.19Å; P47-A339 HydrophobicContact CG-CB 4.19Å; T335-A339 PolarHBondContact O-N 2.98Å; T335-A339 VanDerWaalsContact O-N 3.13Å; L336-A339 PolarHBondContact O-N 2.8Å; A337-A339 VanDerWaalsContact C-N 3.33Å; A337-A339 PolarHBondContact O-N 3.4Å
340	V	82.1	Confident	78.1	Confident	15 Å²	15	63.1 Å²	63.1	9%	0.091	35%	0.346	C	S	.	.	H	α-helix	trans	-86.2	-26.3	179.8	175.6	0	0	0	0	112.5	L336 A337 A338 K343	L336-V340 HydrophobicContact CD1-CG2 4Å; L336-V340 HydrophobicContact CG-CG2 4.4Å; L336-V340 WeakPolarHBondContact O-CB 3.35Å; L336-V340 VanDerWaalsContact O-CG2 3.24Å; L336-V340 WeakPolarHBondContact O-CG2 3.05Å; L336-V340 PolarHBondContact O-N 2.74Å; A337-V340 CarbonylContact O-C 3.56Å; A337-V340 PolarHBondContact O-N 2.76Å; A337-V340 VanDerWaalsContact O-N 3.12Å; A338-V340 VanDerWaalsContact C-N 3.31Å; V340-K343 WeakPolarHBondContact O-CB 3.39Å; V340-K343 WeakPolarHBondContact O-CD 3.29Å; V340-K343 WeakPolarHBondContact O-CE 3.27Å; V340-K343 WeakPolarHBondContact O-CG 3.15Å
341	S	72.3	Confident	77.7	Confident	97 Å²	97	67.9 Å²	67.9	68%	0.678	37%	0.372	S	S	*	.	H	α-helix	trans	-86.3	-18.9	179.6	-66.5	0	0	0	0	113.7	A337 K343	A337-S341 VanDerWaalsContact O-CB 3.32Å; A337-S341 WeakPolarHBondContact O-CB 3.47Å; A337-S341 PolarHBondContact O-N 3.48Å; A337-S341 PolarHBondContact O-OG 2.87Å; A337-S341 VanDerWaalsContact O-OG 3.07Å; S341-K343 PolarHBondContact O-N 3.38Å
342	K	57.5	Low	77.2	Confident	169 Å²	169	66.2 Å²	66.2	74%	0.735	37%	0.369	S	S	*	.			trans	-71.9	29.3	168.4	-73.7	-174.6	179.9	-175	0	112.8	A338	A338-K342 WeakPolarHBondContact O-CG 3.3Å; A338-K342 PolarHBondContact O-N 3.02Å
343	K	48.3	Very low	76.9	Confident	126 Å²	126	61.9 Å²	61.9	55%	0.548	35%	0.347	S	S	.	.			trans	-84.8	0	-180	-87.9	-179.9	-165	169.7	0	112.1	V340 S341	V340-K343 WeakPolarHBondContact O-CB 3.39Å; V340-K343 WeakPolarHBondContact O-CD 3.29Å; V340-K343 WeakPolarHBondContact O-CE 3.27Å; V340-K343 WeakPolarHBondContact O-CG 3.15Å; S341-K343 PolarHBondContact O-N 3.38Å

Retrieved 343 of 343 residues in 466.4 ms (Link to these results)

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