A0A061ID63_CRIGR Loading...

Carnosine N-methyltransferase

N-methyltransferase that catalyzes the formation of anserine (beta-alanyl-N(Pi)-methyl-L-histidine) from carnosine. Anserine, a methylated derivative of carnosine (beta-alanyl-L-histidine), is an abundant constituent of vertebrate skeletal muscles. Also methylates other L-histidine-containing di- and tripeptides such as Gly-Gly-His, Gly-His and homocarnosine (GABA-His).

AlphaFold DB , UniProt , Accession A0A061ID63, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Carnmt1, Length 400 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.4	Very low	34.4	Very low	245 Å²	245	180 Å²	180	100%	1.207	90%	0.901	S	S	*	*				0	129.8	0	-69.5	171.8	167.3	0	0	106.6
2	Q	33	Very low	33.9	Very low	194 Å²	194	180.2 Å²	180.2	91%	0.907	90%	0.897	S	S	*	*			cis	-160	142.7	-5.8	-117.8	176.8	2.4	0	0	104.6
3	R	36.2	Very low	33.6	Very low	244 Å²	244	175.7 Å²	175.7	92%	0.921	89%	0.889	S	S	*	*			trans	-57.9	146.8	179.7	-70.9	174.9	167.2	-175	-5	113.2
4	R	33.3	Very low	33.4	Very low	254 Å²	254	170.3 Å²	170.3	96%	0.958	88%	0.884	S	S	*	*			trans	-144.3	137.5	139.9	-78.6	-161.6	174.9	-175	-2.3	112.6
5	R	35.2	Very low	33.1	Very low	253 Å²	253	171.8 Å²	171.8	96%	0.955	89%	0.885	S	S	*	*	P	Polyproline II helix	trans	-65.5	141.8	-175	-67.3	170	168.1	174.2	-5.5	111.8
6	R	35.6	Very low	32.9	Very low	251 Å²	251	171.3 Å²	171.3	95%	0.947	88%	0.884	S	S	*	*	P	Polyproline II helix	trans	-93.3	132	163.8	-92.7	-176.8	171.5	-178.2	-2.9	109.6
7	A	34.7	Very low	32.7	Very low	92 Å²	92	165 Å²	165	76%	0.76	87%	0.872	S	S	*	*	P	Polyproline II helix	trans	-74.7	155.8	174.1	0	0	0	0	0	111.3
8	P	35.7	Very low	32.5	Very low	118 Å²	118	160.2 Å²	160.2	77%	0.766	87%	0.869	S	S	*	*	P	Polyproline II helix	trans	-75.1	153.5	175	24.5	-19.3	0	0	0	111.5
9	P	34.6	Very low	32.5	Very low	131 Å²	131	164.7 Å²	164.7	85%	0.851	87%	0.872	S	S	*	*	P	Polyproline II helix	trans	-75	147.7	-179.3	23.9	-20.1	0	0	0	112.1
10	A	32.4	Very low	32.7	Very low	99 Å²	99	161.5 Å²	161.5	82%	0.818	86%	0.863	S	S	*	*	P	Polyproline II helix	trans	-63.8	139.8	-177.9	0	0	0	0	0	112.7
11	A	32.8	Very low	33.3	Very low	99 Å²	99	162.4 Å²	162.4	82%	0.818	86%	0.862	S	S	*	*	P	Polyproline II helix	trans	-67.2	135.7	173.4	0	0	0	0	0	110.9
12	Q	29.4	Very low	34.3	Very low	182 Å²	182	159 Å²	159	85%	0.85	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-70	142.2	170	-72.5	174.2	-16.1	0	0	109.9
13	P	29.5	Very low	35.9	Very low	122 Å²	122	152.7 Å²	152.7	79%	0.792	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-67.9	135.5	175.5	26.9	-30.5	0	0	0	110.4
14	A	30.6	Very low	38	Very low	100 Å²	100	146.9 Å²	146.9	83%	0.826	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-57.8	136.8	175.1	0	0	0	0	0	110.4	D16	A14-D16 PolarHBondContact O-N 3.36Å
15	Q	29.5	Very low	40.5	Very low	193 Å²	193	135 Å²	135	90%	0.902	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-62.4	124.3	170.8	-74.3	176	-19.4	0	0	109	G17	Q15-G17 PolarHBondContact O-N 3.28Å
16	D	30.1	Very low	42.9	Very low	163 Å²	163	128.1 Å²	128.1	87%	0.872	74%	0.735	S	S	*	*			trans	-65.5	111.3	173.1	-148.7	5.5	0	0	0	107.9	A14 G18	A14-D16 PolarHBondContact O-N 3.36Å; D16-G18 PolarHBondContact O-N 3.22Å
17	G	29.3	Very low	45.5	Very low	65 Å²	65	116.3 Å²	116.3	67%	0.67	69%	0.691	S	S	*	*			trans	-69.1	115.1	172.6	0	0	0	0	0	108	Q15 R19	Q15-G17 PolarHBondContact O-N 3.28Å; G17-R19 PolarHBondContact O-N 3.02Å
18	G	28.1	Very low	47.8	Very low	79 Å²	79	113.6 Å²	113.6	81%	0.814	67%	0.666	S	S	*	*			trans	-50.3	113.1	178.6	0	0	0	0	0	111.1	D16 S20	D16-G18 PolarHBondContact O-N 3.22Å; G18-S20 PolarHBondContact O-N 2.91Å
19	R	32.5	Very low	49.8	Very low	245 Å²	245	108.3 Å²	108.3	93%	0.925	63%	0.633	S	S	*	*			trans	-58.1	114	160.3	-109	173.8	166.4	172.2	-6.5	106.6	G17 E21	G17-R19 PolarHBondContact O-N 3.02Å; R19-E21 PolarHBondContact O-N 3.46Å
20	S	37.9	Very low	51.4	Low	100 Å²	100	103.3 Å²	103.3	70%	0.699	61%	0.605	S	S	*	*			trans	-54.4	121.8	157.4	46.5	0	0	0	0	106.9	G18 E22	G18-S20 PolarHBondContact O-N 2.91Å; S20-E22 PolarHBondContact O-N 3.03Å
21	E	44.5	Very low	52.6	Low	181 Å²	181	108.7 Å²	108.7	85%	0.846	60%	0.604	S	S	*	*			trans	-56.3	112.3	167.4	-71.3	178.3	159.1	0	0	106.8	R19 V23	R19-E21 PolarHBondContact O-N 3.46Å; E21-V23 PolarHBondContact O-N 3.3Å
22	E	55.8	Low	53.3	Low	175 Å²	175	108.3 Å²	108.3	82%	0.818	59%	0.588	S	S	*	*			trans	-63.8	120.1	175.7	-74.4	176.9	169.3	0	0	107.4	S20 E24	S20-E22 PolarHBondContact O-N 3.03Å; E22-E24 PolarHBondContact O-N 2.95Å
23	V	65.9	Low	53.7	Low	61 Å²	61	101.2 Å²	101.2	37%	0.37	56%	0.563	S	S	.	*			trans	-78.2	90.9	178.7	-178.2	0	0	0	0	107.7	E21 H272 L274	E21-V23 PolarHBondContact O-N 3.3Å; V23-H272 PolarHBondContact O-CD2 3.45Å; V23-L274 HydrophobicContact CG1-CD1 4.45Å
24	E	81.1	Confident	53.7	Low	122 Å²	122	101.6 Å²	101.6	57%	0.57	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-78.7	129	174.1	-168.5	165.7	-152.9	0	0	109.8	E22 Q26 N234 R235	E22-E24 PolarHBondContact O-N 2.95Å; E24-Q26 PolarHBondContact O-N 2.73Å; E24-N234 HydrophobicContact CG-CB 4.47Å; E24-R235 IonicContact OE1-NH1 3.99Å; E24-R235 IonicContact OE1-NH2 2.89Å
25	V	85	Confident	53.7	Low	4 Å²	4	100.8 Å²	100.8	2%	0.024	56%	0.562	C	S	.	*	P	Polyproline II helix	trans	-78.3	120.4	176	-177.1	0	0	0	0	108.7	F27 L233 N234 F280 M282	V25-F27 HydrophobicContact CB-CE2 4.46Å; V25-F27 HydrophobicContact CG1-CE2 4.22Å; V25-F27 WeakPolarHBondContact O-CD2 3.47Å; V25-F27 PolarHBondContact O-N 2.72Å; V25-L233 HydrophobicContact CB-CB 4.27Å; V25-L233 HydrophobicContact CG1-CD1 4.37Å; V25-L233 HydrophobicContact CG2-CB 4.06Å; V25-N234 WeakPolarHBondContact CA-OD1 3.42Å; V25-N234 VanDerWaalsContact CB-OD1 3.31Å; V25-N234 WeakPolarHBondContact CB-OD1 3.42Å; V25-N234 PolarHBondContact N-OD1 3.43Å; V25-N234 PolarHBondContact O-ND2 3.09Å; V25-N234 PolarHBondContact O-OD1 3.27Å; V25-F280 HydrophobicContact CB-CD1 4.21Å; V25-F280 HydrophobicContact CB-CE1 4.31Å; V25-F280 HydrophobicContact CG1-CD1 3.58Å; V25-F280 HydrophobicContact CG1-CE1 3.59Å; V25-F280 HydrophobicContact CG1-CG 4.23Å; V25-F280 HydrophobicContact CG1-CZ 4.21Å; V25-F280 HydrophobicContact CG2-CD1 3.52Å; V25-F280 HydrophobicContact CG2-CE1 3.75Å; V25-M282 HydrophobicContact CG1-CG 4.38Å
26	Q	86.8	Confident	53.9	Low	108 Å²	108	94.2 Å²	94.2	51%	0.505	54%	0.541	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	126.9	-178.5	-57.6	-164.5	-67.2	0	0	111.3	E24 E126 M282	E24-Q26 PolarHBondContact O-N 2.73Å; Q26-E126 WeakPolarHBondContact CB-OE1 3.38Å; Q26-E126 VanDerWaalsContact CG-OE1 3.23Å; Q26-E126 WeakPolarHBondContact CG-OE1 3.28Å; Q26-E126 PolarHBondContact NE2-OE1 3.18Å; Q26-E126 PolarHBondContact NE2-OE2 3.24Å; Q26-M282 PolarHBondContact O-N 2.79Å
27	F	88.9	Confident	54.1	Low	4 Å²	4	92.3 Å²	92.3	2%	0.018	54%	0.537	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	116.6	170.1	-83	-105.2	0	0	0	109.8	V25 M124 F125 E126 L226 S229 N230 L233 M282	V25-F27 HydrophobicContact CB-CE2 4.46Å; V25-F27 HydrophobicContact CG1-CE2 4.22Å; V25-F27 WeakPolarHBondContact O-CD2 3.47Å; V25-F27 PolarHBondContact O-N 2.72Å; F27-M124 HydrophobicContact CB-CG 4.25Å; F27-M124 HydrophobicContact CG-CG 4.41Å; F27-F125 HydrophobicContact CB-CD1 4.42Å; F27-E126 PolarHBondContact O-N 3.48Å; F27-L226 HydrophobicContact CD1-CD2 4.3Å; F27-L226 HydrophobicContact CE1-CD2 4.21Å; F27-S229 WeakPolarHBondContact CE1-OG 3.46Å; F27-S229 WeakPolarHBondContact CZ-OG 3.35Å; F27-N230 HydrophobicContact CD1-CB 4.38Å; F27-N230 HydrophobicContact CD2-CB 4.26Å; F27-N230 HydrophobicContact CE1-CB 4.06Å; F27-N230 HydrophobicContact CE2-CB 3.96Å; F27-N230 HydrophobicContact CG-CB 4.47Å; F27-N230 HydrophobicContact CZ-CB 3.84Å; F27-L233 HydrophobicContact CE2-CD1 4.21Å; F27-L233 HydrophobicContact CZ-CD1 4.04Å; F27-M282 WeakPolarHBondContact CA-O 3.41Å; F27-M282 HydrophobicContact CD1-CB 3.73Å; F27-M282 HydrophobicContact CD2-CB 4.19Å; F27-M282 HydrophobicContact CE1-CB 3.52Å; F27-M282 HydrophobicContact CE1-CE 4.42Å; F27-M282 HydrophobicContact CE1-CG 3.95Å; F27-M282 HydrophobicContact CE2-CB 4Å; F27-M282 HydrophobicContact CE2-CG 4.09Å; F27-M282 HydrophobicContact CG-CB 4.06Å; F27-M282 HydrophobicContact CZ-CB 3.67Å; F27-M282 HydrophobicContact CZ-CG 3.66Å
28	S	82.9	Confident	54.2	Low	34 Å²	34	94.6 Å²	94.6	24%	0.238	55%	0.55	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-112.5	135.6	178.2	53.3	0	0	0	0	110.7	M282 T283 A284	S28-M282 PolarHBondContact N-O 3.03Å; S28-M282 PolarHBondContact OG-O 3.05Å; S28-T283 CarbonylContact O-C 3.58Å; S28-T283 WeakPolarHBondContact O-CA 3.42Å; S28-T283 PolarHBondContact OG-OG1 2.82Å; S28-A284 PolarHBondContact O-N 3.29Å
29	A	77.8	Confident	54.6	Low	8 Å²	8	94.7 Å²	94.7	7%	0.066	55%	0.551	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-75.5	125.7	163.8	0	0	0	0	0	108.5	F125 N127 K128	A29-F125 HydrophobicContact CB-CD1 4.25Å; A29-F125 HydrophobicContact CB-CG 4.43Å; A29-N127 PolarHBondContact N-OD1 2.62Å; A29-N127 PolarHBondContact O-ND2 3.36Å; A29-K128 HydrophobicContact CB-CB 3.94Å; A29-K128 HydrophobicContact CB-CD 3.94Å
30	G	69.5	Low	54.7	Low	26 Å²	26	87 Å²	87	27%	0.268	54%	0.54	S	S	.	.	P	Polyproline II helix	trans	-59.3	141.1	176	0	0	0	0	0	111.4	A284	G30-A284 PolarHBondContact N-O 3.05Å
31	R	57.5	Low	54.9	Low	212 Å²	212	87.9 Å²	87.9	80%	0.8	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-87.9	129.4	168.7	-64.5	-171.3	-165.7	-147.4	2.4	108.2	G33	R31-G33 PolarHBondContact O-N 2.94Å; R31-G33 VanDerWaalsContact O-N 3.11Å
32	L	46.4	Very low	54.8	Low	91 Å²	91	84.4 Å²	84.4	48%	0.476	55%	0.546	S	S	.	.			trans	-54.5	115.3	174.1	-76.1	154.6	0	0	0	110	E49 E289	L32-E49 WeakPolarHBondContact CD1-OE2 3.32Å; L32-E289 HydrophobicContact CD2-CB 4.45Å; L32-E289 VanDerWaalsContact CD2-OE2 3.23Å; L32-E289 WeakPolarHBondContact CD2-OE2 3.36Å
33	G	37.3	Very low	54.7	Low	32 Å²	32	84.8 Å²	84.8	33%	0.33	54%	0.539	S	S	.	.			trans	-70.7	132.3	171	0	0	0	0	0	110.5	R31 A35 E289	R31-G33 PolarHBondContact O-N 2.94Å; R31-G33 VanDerWaalsContact O-N 3.11Å; G33-A35 PolarHBondContact O-N 3.12Å; G33-E289 PolarHBondContact N-O 2.96Å
34	S	30.4	Very low	54.4	Low	131 Å²	131	84.3 Å²	84.3	92%	0.916	54%	0.539	S	S	*	.	S	Bend	trans	-77.2	33.6	-176.2	63	0	0	0	0	114.8
35	A	31.4	Very low	54	Low	83 Å²	83	82 Å²	82	69%	0.686	53%	0.534	S	S	*	.			trans	-122.3	112.9	-174.4	0	0	0	0	0	111.5	G33	G33-A35 PolarHBondContact O-N 3.12Å
36	A	32.8	Very low	53.6	Low	54 Å²	54	84.9 Å²	84.9	45%	0.446	56%	0.558	S	S	.	*	P	Polyproline II helix	trans	-103.9	141.8	-179.9	0	0	0	0	0	111.7
37	P	33.5	Very low	53.3	Low	123 Å²	123	87.4 Å²	87.4	80%	0.799	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-68.9	148.8	154.4	-3.5	20.5	0	0	0	110.1	G39	P37-G39 PolarHBondContact O-N 3.24Å
38	A	32.1	Very low	53	Low	114 Å²	114	90.2 Å²	90.2	94%	0.942	58%	0.584	S	S	*	*	S	Bend	trans	-75.3	116.8	-176.5	0	0	0	0	0	111.9
39	G	37.4	Very low	52.9	Low	81 Å²	81	91.7 Å²	91.7	84%	0.835	59%	0.588	S	S	*	*			trans	149	3.4	162.1	0	0	0	0	0	120.9	P37	P37-G39 PolarHBondContact O-N 3.24Å
40	A	34.1	Very low	53.2	Low	83 Å²	83	96.1 Å²	96.1	69%	0.686	61%	0.607	S	S	*	*			trans	-91.2	149.4	-176	0	0	0	0	0	114.5
41	P	40.9	Very low	53.9	Low	118 Å²	118	99.9 Å²	99.9	77%	0.766	61%	0.613	S	S	*	*	S	Bend	trans	-71	168.7	179.9	31.9	-34.2	0	0	0	112.4	R43	P41-R43 PolarHBondContact O-N 3.1Å
42	A	43.8	Very low	55.4	Low	109 Å²	109	94 Å²	94	90%	0.901	60%	0.597	S	S	*	*	S	Bend	trans	-34.9	112.2	-168.7	0	0	0	0	0	114.8
43	R	53.8	Low	57.4	Low	182 Å²	182	92.4 Å²	92.4	69%	0.687	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-66.3	140	-176.7	-81.9	177.7	163	-173	-17.7	112.8	P41	P41-R43 PolarHBondContact O-N 3.1Å
44	S	58.1	Low	59.8	Low	52 Å²	52	96.3 Å²	96.3	36%	0.364	59%	0.592	S	S	.	*	P	Polyproline II helix	trans	-51.6	144.1	153.9	35.7	0	0	0	0	110.1	E49	S44-E49 PolarHBondContact OG-OE1 3.01Å
45	T	74.3	Confident	62.6	Low	74 Å²	74	94.8 Å²	94.8	45%	0.454	57%	0.57	S	S	.	*	P	Polyproline II helix	trans	-71.4	157.8	170.2	63.4	0	0	0	0	109.7	E47 D48 E49	T45-E47 PolarHBondContact O-N 3.42Å; T45-E47 VanDerWaalsContact O-N 3.17Å; T45-D48 PolarHBondContact N-OD2 3Å; T45-D48 VanDerWaalsContact N-OD2 3.07Å; T45-D48 WeakPolarHBondContact O-CA 3.29Å; T45-D48 WeakPolarHBondContact O-CB 3.35Å; T45-D48 PolarHBondContact O-N 3.13Å; T45-D48 VanDerWaalsContact OG1-CG 3.22Å; T45-D48 PolarHBondContact OG1-N 3.29Å; T45-D48 PolarHBondContact OG1-OD2 3.23Å; T45-E49 PolarHBondContact O-N 3.17Å; T45-E49 VanDerWaalsContact O-N 3.12Å
46	A	75.8	Confident	65.4	Low	64 Å²	64	93.5 Å²	93.5	53%	0.529	55%	0.55	S	S	.	*	H	α-helix	trans	-56.2	-32.1	174.9	0	0	0	0	0	112	E49 E50	A46-E49 PolarHBondContact O-N 3Å; A46-E50 WeakPolarHBondContact O-CG 3.28Å; A46-E50 PolarHBondContact O-N 3.24Å
47	E	80.1	Confident	68.3	Low	160 Å²	160	91 Å²	91	75%	0.748	53%	0.529	S	S	*	.	H	α-helix	trans	-65.4	-36.6	173.4	-65.3	-178	171.5	0	0	112.4	T45 R51	T45-E47 PolarHBondContact O-N 3.42Å; T45-E47 VanDerWaalsContact O-N 3.17Å; E47-R51 WeakPolarHBondContact O-CB 3.5Å; E47-R51 PolarHBondContact O-N 3.03Å
48	D	82.9	Confident	71	Confident	63 Å²	63	87.4 Å²	87.4	34%	0.337	50%	0.5	S	S	.	.	H	α-helix	trans	-68.1	-40.8	175.9	-68.3	-51.8	0	0	0	111.8	T45 R51 L52	T45-D48 PolarHBondContact N-OD2 3Å; T45-D48 VanDerWaalsContact N-OD2 3.07Å; T45-D48 WeakPolarHBondContact O-CA 3.29Å; T45-D48 WeakPolarHBondContact O-CB 3.35Å; T45-D48 PolarHBondContact O-N 3.13Å; T45-D48 VanDerWaalsContact OG1-CG 3.22Å; T45-D48 PolarHBondContact OG1-N 3.29Å; T45-D48 PolarHBondContact OG1-OD2 3.23Å; D48-R51 PolarHBondContact O-N 3.3Å; D48-L52 WeakPolarHBondContact O-CB 3.45Å; D48-L52 WeakPolarHBondContact O-CG 3.39Å; D48-L52 PolarHBondContact O-N 2.92Å
49	E	81.1	Confident	73.9	Confident	65 Å²	65	86.6 Å²	86.6	30%	0.304	48%	0.475	S	S	.	.	H	α-helix	trans	-64.2	-46.6	177.4	-73.8	165.5	-165.7	0	0	111.2	L32 S44 T45 A46 R51 L52 E53	L32-E49 WeakPolarHBondContact CD1-OE2 3.32Å; S44-E49 PolarHBondContact OG-OE1 3.01Å; T45-E49 PolarHBondContact O-N 3.17Å; T45-E49 VanDerWaalsContact O-N 3.12Å; A46-E49 PolarHBondContact O-N 3Å; E49-R51 VanDerWaalsContact C-N 3.29Å; E49-R51 PolarHBondContact O-N 3.05Å; E49-L52 PolarHBondContact O-N 2.74Å; E49-E53 WeakPolarHBondContact O-CB 3.24Å; E49-E53 PolarHBondContact O-N 2.8Å
50	E	83.4	Confident	76.7	Confident	101 Å²	101	82.8 Å²	82.8	47%	0.472	44%	0.435	S	S	.	.	H	α-helix	trans	-60.7	-37.7	175	-75.8	-174.5	-177.7	0	0	112.7	A46 R54	A46-E50 WeakPolarHBondContact O-CG 3.28Å; A46-E50 PolarHBondContact O-N 3.24Å; E50-R54 WeakPolarHBondContact O-CB 3.44Å; E50-R54 PolarHBondContact O-N 2.97Å; E50-R54 VanDerWaalsContact O-N 3.14Å
51	R	85.8	Confident	79.5	Confident	106 Å²	106	78.9 Å²	78.9	40%	0.4	40%	0.403	S	S	.	.	H	α-helix	trans	-67.2	-47.4	175.3	-174.3	-172.2	61.2	70.4	9.5	111.1	E47 D48 E49 E53 R54 E55	E47-R51 WeakPolarHBondContact O-CB 3.5Å; E47-R51 PolarHBondContact O-N 3.03Å; D48-R51 PolarHBondContact O-N 3.3Å; E49-R51 VanDerWaalsContact C-N 3.29Å; E49-R51 PolarHBondContact O-N 3.05Å; R51-E53 VanDerWaalsContact C-N 3.35Å; R51-E53 PolarHBondContact O-N 3.06Å; R51-R54 WeakPolarHBondContact O-CB 3.36Å; R51-R54 PolarHBondContact O-N 3.3Å; R51-E55 IonicContact CZ-OE1 3.21Å; R51-E55 IonicContact NH1-OE1 2.63Å; R51-E55 PolarHBondContact NH1-OE1 2.94Å; R51-E55 IonicContact NH1-OE2 3.12Å; R51-E55 PolarHBondContact NH1-OE2 2.82Å; R51-E55 WeakPolarHBondContact O-CG 3.42Å; R51-E55 PolarHBondContact O-N 3.46Å
52	L	87.6	Confident	82.1	Confident	87 Å²	87	74.3 Å²	74.3	46%	0.455	37%	0.372	S	S	.	.	H	α-helix	trans	-63.8	-39.6	180	-74.1	171.7	0	0	0	112	D48 E49 E55 H56	D48-L52 WeakPolarHBondContact O-CB 3.45Å; D48-L52 WeakPolarHBondContact O-CG 3.39Å; D48-L52 PolarHBondContact O-N 2.92Å; E49-L52 PolarHBondContact O-N 2.74Å; L52-E55 PolarHBondContact O-N 3.28Å; L52-H56 WeakPolarHBondContact O-CB 3.2Å; L52-H56 PolarHBondContact O-N 3.08Å
53	E	88.4	Confident	84.6	Confident	58 Å²	58	69.1 Å²	69.1	27%	0.271	33%	0.329	S	S	.	.	H	α-helix	trans	-64.3	-41.5	175.4	-169.9	-168.6	142.4	0	0	111.4	E49 R51 H56 F57 K128 Y130 F223	E49-E53 WeakPolarHBondContact O-CB 3.24Å; E49-E53 PolarHBondContact O-N 2.8Å; R51-E53 VanDerWaalsContact C-N 3.35Å; R51-E53 PolarHBondContact O-N 3.06Å; E53-H56 WeakPolarHBondContact O-CB 3.25Å; E53-H56 PolarHBondContact O-N 2.96Å; E53-F57 WeakPolarHBondContact O-CB 3.46Å; E53-F57 PolarHBondContact O-N 2.98Å; E53-K128 WeakPolarHBondContact OE1-CE 3.35Å; E53-K128 IonicContact OE1-NZ 3.32Å; E53-K128 PolarHBondContact OE1-NZ 2.85Å; E53-K128 IonicContact OE2-NZ 3.76Å; E53-K128 PolarHBondContact OE2-NZ 3.44Å; E53-Y130 HydrophobicContact CG-CE1 4.16Å; E53-Y130 WeakPolarHBondContact OE1-CE1 3.44Å; E53-Y130 PolarHBondContact OE1-OH 3.03Å; E53-F223 HydrophobicContact CG-CE2 4.34Å; E53-F223 HydrophobicContact CG-CZ 4.1Å
54	R	88.1	Confident	86.6	Confident	114 Å²	114	60.4 Å²	60.4	43%	0.43	30%	0.296	S	S	.	.	H	α-helix	trans	-64.1	-42.4	175.2	-169.5	-172.3	-41.2	-156.1	2.8	112.2	E50 R51 H56 F57 W58 Y130	E50-R54 WeakPolarHBondContact O-CB 3.44Å; E50-R54 PolarHBondContact O-N 2.97Å; E50-R54 VanDerWaalsContact O-N 3.14Å; R51-R54 WeakPolarHBondContact O-CB 3.36Å; R51-R54 PolarHBondContact O-N 3.3Å; R54-H56 VanDerWaalsContact C-N 3.3Å; R54-H56 PolarHBondContact O-N 3.49Å; R54-F57 WeakPolarHBondContact O-CB 3.4Å; R54-F57 PolarHBondContact O-N 2.84Å; R54-W58 PolarHBondContact O-N 3.12Å; R54-W58 VanDerWaalsContact O-N 3.14Å; R54-Y130 HydrophobicContact CB-CD1 4.1Å; R54-Y130 HydrophobicContact CG-CD1 4.11Å; R54-Y130 WeakPolarHBondContact CG-O 3.45Å
55	E	89.4	Confident	88.4	Confident	99 Å²	99	60.6 Å²	60.6	46%	0.463	29%	0.289	S	S	.	.	H	α-helix	trans	-61.7	-41	172.8	-74.8	175	-179.4	0	0	111.2	R51 L52 W58 K59	R51-E55 IonicContact CZ-OE1 3.21Å; R51-E55 IonicContact NH1-OE1 2.63Å; R51-E55 PolarHBondContact NH1-OE1 2.94Å; R51-E55 IonicContact NH1-OE2 3.12Å; R51-E55 PolarHBondContact NH1-OE2 2.82Å; R51-E55 WeakPolarHBondContact O-CG 3.42Å; R51-E55 PolarHBondContact O-N 3.46Å; L52-E55 PolarHBondContact O-N 3.28Å; E55-W58 PolarHBondContact O-N 2.75Å; E55-K59 VanDerWaalsContact O-CB 3.31Å; E55-K59 WeakPolarHBondContact O-CB 3.34Å; E55-K59 PolarHBondContact O-N 3.19Å
56	H	91.2	Very high	89.6	Confident	57 Å²	57	58.3 Å²	58.3	26%	0.264	27%	0.272	S	S	.	.	H	α-helix	trans	-64.9	-43.7	176.5	-172	51.7	0	0	0	112.2	L52 E53 R54 W58 K59 V60 F223	L52-H56 WeakPolarHBondContact O-CB 3.2Å; L52-H56 PolarHBondContact O-N 3.08Å; E53-H56 WeakPolarHBondContact O-CB 3.25Å; E53-H56 PolarHBondContact O-N 2.96Å; R54-H56 VanDerWaalsContact C-N 3.3Å; R54-H56 PolarHBondContact O-N 3.49Å; H56-W58 PolarHBondContact O-N 3.29Å; H56-K59 WeakPolarHBondContact O-CB 3.35Å; H56-K59 PolarHBondContact O-N 3.05Å; H56-V60 WeakPolarHBondContact O-CG2 3.39Å; H56-V60 PolarHBondContact O-N 3.43Å; H56-F223 AromaticContact CD2-CD2 3.51Å; H56-F223 AromaticContact CD2-CE2 3.75Å
57	F	91.8	Very high	90.7	Very high	2 Å²	2	55.3 Å²	55.3	1%	0.009	25%	0.247	C	C	.	.	H	α-helix	trans	-53.1	-55	174.9	177.9	-86.6	0	0	0	110.7	E53 R54 K59 V60 I61 F125 Y130 F223 F227	E53-F57 WeakPolarHBondContact O-CB 3.46Å; E53-F57 PolarHBondContact O-N 2.98Å; R54-F57 WeakPolarHBondContact O-CB 3.4Å; R54-F57 PolarHBondContact O-N 2.84Å; F57-K59 VanDerWaalsContact C-N 3.33Å; F57-K59 PolarHBondContact O-N 2.85Å; F57-V60 PolarHBondContact O-N 3.12Å; F57-V60 VanDerWaalsContact O-N 3.11Å; F57-I61 HydrophobicContact CD1-CG1 4.1Å; F57-I61 HydrophobicContact CE1-CD1 4.21Å; F57-I61 HydrophobicContact CE1-CG1 3.78Å; F57-I61 HydrophobicContact CZ-CD1 4.22Å; F57-I61 HydrophobicContact CZ-CG1 4.26Å; F57-I61 WeakPolarHBondContact O-CG1 3.26Å; F57-I61 PolarHBondContact O-N 2.95Å; F57-F125 HydrophobicContact CE2-CE2 4.41Å; F57-Y130 HydrophobicContact CB-CD1 3.93Å; F57-Y130 HydrophobicContact CB-CE1 4.17Å; F57-Y130 HydrophobicContact CB-CG 4.09Å; F57-Y130 HydrophobicContact CD1-CD2 4.12Å; F57-Y130 AromaticContact CD1-CG 3.87Å; F57-Y130 HydrophobicContact CD1-CG 3.87Å; F57-Y130 HydrophobicContact CD2-CD1 4.31Å; F57-Y130 AromaticContact CD2-CD2 3.4Å; F57-Y130 HydrophobicContact CD2-CD2 3.4Å; F57-Y130 VanDerWaalsContact CD2-CD2 3.4Å; F57-Y130 HydrophobicContact CD2-CE1 4.4Å; F57-Y130 AromaticContact CD2-CE2 3.52Å; F57-Y130 HydrophobicContact CD2-CE2 3.52Å; F57-Y130 AromaticContact CD2-CG 3.82Å; F57-Y130 HydrophobicContact CD2-CG 3.82Å; F57-Y130 HydrophobicContact CE1-CD2 4.18Å; F57-Y130 HydrophobicContact CE1-CG 4.25Å; F57-Y130 AromaticContact CE2-CD2 3.46Å; F57-Y130 HydrophobicContact CE2-CD2 3.46Å; F57-Y130 VanDerWaalsContact CE2-CD2 3.46Å; F57-Y130 AromaticContact CE2-CE2 3.75Å; F57-Y130 HydrophobicContact CE2-CE2 3.75Å; F57-Y130 HydrophobicContact CE2-CG 4.18Å; F57-Y130 HydrophobicContact CG-CD1 4.02Å; F57-Y130 AromaticContact CG-CD2 3.76Å; F57-Y130 HydrophobicContact CG-CD2 3.76Å; F57-Y130 HydrophobicContact CG-CE1 4.42Å; F57-Y130 HydrophobicContact CG-CE2 4.19Å; F57-Y130 AromaticContact CG-CG 3.65Å; F57-Y130 HydrophobicContact CG-CG 3.65Å; F57-Y130 AromaticContact CZ-CD2 3.88Å; F57-Y130 HydrophobicContact CZ-CD2 3.88Å; F57-Y130 HydrophobicContact CZ-CG 4.4Å; F57-F223 HydrophobicContact CB-CD2 4.37Å; F57-F223 HydrophobicContact CB-CE2 3.88Å; F57-F223 HydrophobicContact CB-CZ 4.11Å; F57-F223 HydrophobicContact CD2-CD1 4.12Å; F57-F223 AromaticContact CD2-CE1 3.86Å; F57-F223 HydrophobicContact CD2-CE1 3.86Å; F57-F223 HydrophobicContact CD2-CE2 4.39Å; F57-F223 HydrophobicContact CD2-CZ 4.01Å; F57-F227 AromaticContact CD2-CE1 3.86Å; F57-F227 HydrophobicContact CD2-CE1 3.86Å; F57-F227 AromaticContact CD2-CZ 3.62Å; F57-F227 HydrophobicContact CD2-CZ 3.62Å; F57-F227 AromaticContact CE2-CE1 3.44Å; F57-F227 HydrophobicContact CE2-CE1 3.44Å; F57-F227 VanDerWaalsContact CE2-CE1 3.44Å; F57-F227 AromaticContact CE2-CZ 3.46Å; F57-F227 HydrophobicContact CE2-CZ 3.46Å; F57-F227 VanDerWaalsContact CE2-CZ 3.46Å; F57-F227 HydrophobicContact CG-CZ 4.36Å; F57-F227 HydrophobicContact CZ-CE1 4.24Å; F57-F227 HydrophobicContact CZ-CZ 4.06Å
58	W	91.1	Very high	91.5	Very high	46 Å²	46	47.9 Å²	47.9	17%	0.174	21%	0.214	C	C	.	.	H	α-helix	trans	-66.3	-33	-179.9	-72.8	114.5	0	0	0	113.3	R54 E55 H56 V60 I61 N62 Y130 G131 D133	R54-W58 PolarHBondContact O-N 3.12Å; R54-W58 VanDerWaalsContact O-N 3.14Å; E55-W58 PolarHBondContact O-N 2.75Å; H56-W58 PolarHBondContact O-N 3.29Å; W58-V60 VanDerWaalsContact C-N 3.31Å; W58-V60 PolarHBondContact O-N 2.79Å; W58-I61 HydrophobicContact CE3-CB 4.11Å; W58-I61 HydrophobicContact CE3-CG1 4.15Å; W58-I61 HydrophobicContact CE3-CG2 4.14Å; W58-I61 HydrophobicContact CZ3-CG1 4.37Å; W58-I61 HydrophobicContact CZ3-CG2 4.15Å; W58-I61 PolarHBondContact O-N 3.32Å; W58-N62 WeakPolarHBondContact O-CB 3.24Å; W58-N62 PolarHBondContact O-N 3.06Å; W58-Y130 PolarHBondContact NE1-O 3.13Å; W58-G131 WeakPolarHBondContact CZ2-O 3.36Å; W58-D133 HydrophobicContact CE3-CB 3.94Å; W58-D133 HydrophobicContact CH2-CB 3.85Å; W58-D133 HydrophobicContact CZ2-CB 4.41Å; W58-D133 HydrophobicContact CZ3-CB 3.59Å
59	K	93.4	Very high	92.3	Very high	98 Å²	98	48.1 Å²	48.1	43%	0.426	22%	0.218	S	C	.	.	H	α-helix	trans	-59.4	-43	171.6	178	-174.7	169.3	-172.1	0	111.3	E55 H56 F57 N62 A63 D145	E55-K59 VanDerWaalsContact O-CB 3.31Å; E55-K59 WeakPolarHBondContact O-CB 3.34Å; E55-K59 PolarHBondContact O-N 3.19Å; H56-K59 WeakPolarHBondContact O-CB 3.35Å; H56-K59 PolarHBondContact O-N 3.05Å; F57-K59 VanDerWaalsContact C-N 3.33Å; F57-K59 PolarHBondContact O-N 2.85Å; K59-N62 PolarHBondContact O-N 3.41Å; K59-A63 PolarHBondContact O-N 2.68Å; K59-D145 WeakPolarHBondContact CE-OD2 3.42Å; K59-D145 IonicContact NZ-OD1 3.83Å; K59-D145 IonicContact NZ-OD2 2.66Å
60	V	94.9	Very high	93.1	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-69.2	-43.6	177.9	178.3	0	0	0	0	110.8	H56 F57 W58 N62 A63 F64 F223 F224 F227	H56-V60 WeakPolarHBondContact O-CG2 3.39Å; H56-V60 PolarHBondContact O-N 3.43Å; F57-V60 PolarHBondContact O-N 3.12Å; F57-V60 VanDerWaalsContact O-N 3.11Å; W58-V60 VanDerWaalsContact C-N 3.31Å; W58-V60 PolarHBondContact O-N 2.79Å; V60-N62 VanDerWaalsContact C-N 3.28Å; V60-N62 PolarHBondContact O-N 3.29Å; V60-A63 WeakPolarHBondContact O-CA 3.41Å; V60-A63 VanDerWaalsContact O-CB 3.31Å; V60-A63 WeakPolarHBondContact O-CB 3.3Å; V60-A63 PolarHBondContact O-N 3.23Å; V60-F64 HydrophobicContact CG1-CD2 3.93Å; V60-F64 HydrophobicContact CG1-CE2 3.66Å; V60-F64 WeakPolarHBondContact O-CD2 3.48Å; V60-F64 PolarHBondContact O-N 2.83Å; V60-F223 HydrophobicContact CB-CB 4.11Å; V60-F223 HydrophobicContact CG1-CB 3.91Å; V60-F223 HydrophobicContact CG2-CB 4.08Å; V60-F223 HydrophobicContact CG2-CD2 4.46Å; V60-F224 HydrophobicContact CB-CE2 4.43Å; V60-F224 HydrophobicContact CB-CZ 4.49Å; V60-F224 HydrophobicContact CG1-CD1 4.04Å; V60-F224 HydrophobicContact CG1-CD2 3.93Å; V60-F224 HydrophobicContact CG1-CE1 3.98Å; V60-F224 HydrophobicContact CG1-CE2 3.89Å; V60-F224 HydrophobicContact CG1-CG 4Å; V60-F224 HydrophobicContact CG1-CZ 3.9Å; V60-F224 HydrophobicContact CG2-CD2 4.25Å; V60-F224 HydrophobicContact CG2-CE2 3.73Å; V60-F224 HydrophobicContact CG2-CZ 4.13Å; V60-F227 HydrophobicContact CB-CE2 4.13Å; V60-F227 HydrophobicContact CG1-CD2 4.11Å; V60-F227 HydrophobicContact CG1-CE2 3.64Å
61	I	93.6	Very high	93.8	Very high	1 Å²	1	42 Å²	42	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-54.4	-45.3	173.1	-63.5	-66.7	0	0	0	111.5	F57 W58 A63 F64 R65 V118 C121 F227	F57-I61 HydrophobicContact CD1-CG1 4.1Å; F57-I61 HydrophobicContact CE1-CD1 4.21Å; F57-I61 HydrophobicContact CE1-CG1 3.78Å; F57-I61 HydrophobicContact CZ-CD1 4.22Å; F57-I61 HydrophobicContact CZ-CG1 4.26Å; F57-I61 WeakPolarHBondContact O-CG1 3.26Å; F57-I61 PolarHBondContact O-N 2.95Å; W58-I61 HydrophobicContact CE3-CB 4.11Å; W58-I61 HydrophobicContact CE3-CG1 4.15Å; W58-I61 HydrophobicContact CE3-CG2 4.14Å; W58-I61 HydrophobicContact CZ3-CG1 4.37Å; W58-I61 HydrophobicContact CZ3-CG2 4.15Å; W58-I61 PolarHBondContact O-N 3.32Å; I61-A63 VanDerWaalsContact C-N 3.31Å; I61-A63 PolarHBondContact O-N 2.95Å; I61-F64 PolarHBondContact O-N 2.94Å; I61-R65 WeakPolarHBondContact O-CG 3.09Å; I61-R65 PolarHBondContact O-N 2.84Å; I61-R65 VanDerWaalsContact O-N 3.08Å; I61-V118 HydrophobicContact CD1-CG1 4.18Å; I61-V118 HydrophobicContact CD1-CG2 4.24Å; I61-V118 HydrophobicContact CG2-CG1 3.84Å; I61-C121 WeakPolarHBondContact CD1-SG 3.23Å; I61-F227 HydrophobicContact CD1-CD2 4.12Å; I61-F227 HydrophobicContact CD1-CE2 3.48Å; I61-F227 VanDerWaalsContact CD1-CE2 3.48Å; I61-F227 HydrophobicContact CD1-CZ 3.86Å; I61-F227 HydrophobicContact CG1-CE2 4.06Å; I61-F227 HydrophobicContact CG1-CZ 4.31Å
62	N	94.7	Very high	94.4	Very high	22 Å²	22	38.9 Å²	38.9	12%	0.118	18%	0.182	C	C	.	.	H	α-helix	trans	-60.7	-39.8	175.5	177	77.5	0	0	0	112	W58 K59 V60 F64 R65 Y66 T139	W58-N62 WeakPolarHBondContact O-CB 3.24Å; W58-N62 PolarHBondContact O-N 3.06Å; K59-N62 PolarHBondContact O-N 3.41Å; V60-N62 VanDerWaalsContact C-N 3.28Å; V60-N62 PolarHBondContact O-N 3.29Å; N62-F64 VanDerWaalsContact C-N 3.35Å; N62-F64 PolarHBondContact O-N 3.13Å; N62-R65 PolarHBondContact O-N 3.23Å; N62-Y66 VanDerWaalsContact O-CB 3.31Å; N62-Y66 WeakPolarHBondContact O-CB 3.47Å; N62-Y66 PolarHBondContact O-N 2.89Å; N62-T139 PolarHBondContact ND2-O 3Å; N62-T139 PolarHBondContact ND2-OG1 3.23Å; N62-T139 PolarHBondContact OD1-N 3.18Å; N62-T139 PolarHBondContact OD1-O 3.14Å; N62-T139 PolarHBondContact OD1-OG1 2.66Å
63	A	96.8	Very high	94.9	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-60.7	-42.2	175.4	0	0	0	0	0	112.3	K59 V60 I61 R65 Y66 Y67 A141 D145 M146 F224	K59-A63 PolarHBondContact O-N 2.68Å; V60-A63 WeakPolarHBondContact O-CA 3.41Å; V60-A63 VanDerWaalsContact O-CB 3.31Å; V60-A63 WeakPolarHBondContact O-CB 3.3Å; V60-A63 PolarHBondContact O-N 3.23Å; I61-A63 VanDerWaalsContact C-N 3.31Å; I61-A63 PolarHBondContact O-N 2.95Å; A63-R65 PolarHBondContact O-N 2.83Å; A63-Y66 PolarHBondContact O-N 3.29Å; A63-Y67 PolarHBondContact O-N 3.44Å; A63-A141 HydrophobicContact CB-CB 4.04Å; A63-D145 HydrophobicContact CB-CB 3.96Å; A63-M146 HydrophobicContact CB-CE 3.66Å; A63-M146 WeakPolarHBondContact O-CE 3.38Å; A63-F224 HydrophobicContact CB-CE1 4.18Å; A63-F224 HydrophobicContact CB-CZ 4.24Å
64	F	97.2	Very high	95.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-61.8	-41	174.4	-82.6	-114.1	0	0	0	112.8	V60 I61 N62 Y66 Q111 L114 I117 V118 L149 F224 F227	V60-F64 HydrophobicContact CG1-CD2 3.93Å; V60-F64 HydrophobicContact CG1-CE2 3.66Å; V60-F64 WeakPolarHBondContact O-CD2 3.48Å; V60-F64 PolarHBondContact O-N 2.83Å; I61-F64 PolarHBondContact O-N 2.94Å; N62-F64 VanDerWaalsContact C-N 3.35Å; N62-F64 PolarHBondContact O-N 3.13Å; F64-Y66 VanDerWaalsContact C-N 3.32Å; F64-Y66 PolarHBondContact O-N 3.46Å; F64-Q111 PolarHBondContact O-NE2 3.2Å; F64-L114 HydrophobicContact CD1-CB 4.07Å; F64-L114 HydrophobicContact CD1-CD2 3.56Å; F64-L114 HydrophobicContact CD1-CG 4.4Å; F64-L114 HydrophobicContact CE1-CD2 3.68Å; F64-I117 HydrophobicContact CD1-CG2 4.35Å; F64-I117 HydrophobicContact CE1-CB 4.43Å; F64-I117 HydrophobicContact CE1-CG2 3.84Å; F64-V118 HydrophobicContact CB-CG2 3.36Å; F64-V118 HydrophobicContact CD1-CG2 4.01Å; F64-V118 HydrophobicContact CG-CG2 3.87Å; F64-L149 HydrophobicContact CB-CD1 4.3Å; F64-L149 HydrophobicContact CD1-CD1 4.39Å; F64-L149 HydrophobicContact CD2-CD1 3.85Å; F64-L149 HydrophobicContact CE2-CD1 4.32Å; F64-L149 HydrophobicContact CG-CD1 3.91Å; F64-F224 HydrophobicContact CD2-CD1 4.16Å; F64-F224 HydrophobicContact CD2-CE1 4.28Å; F64-F224 HydrophobicContact CE2-CB 4.31Å; F64-F224 AromaticContact CE2-CD1 3.37Å; F64-F224 HydrophobicContact CE2-CD1 3.37Å; F64-F224 AromaticContact CE2-CE1 3.92Å; F64-F224 HydrophobicContact CE2-CE1 3.92Å; F64-F224 HydrophobicContact CE2-CG 4.06Å; F64-F224 HydrophobicContact CZ-CB 4.43Å; F64-F224 HydrophobicContact CZ-CD1 4.06Å; F64-F227 HydrophobicContact CD2-CD2 4.47Å; F64-F227 HydrophobicContact CE2-CD2 4.01Å; F64-F227 HydrophobicContact CZ-CB 4.41Å; F64-F227 HydrophobicContact CZ-CD2 4.2Å
65	R	96.1	Very high	95.9	Very high	55 Å²	55	35.8 Å²	35.8	21%	0.208	17%	0.166	C	C	.	.	H	α-helix	trans	-71.6	-23.4	176.6	-66.9	175.5	177	167.1	0.2	113.6	I61 N62 A63 Q111 L115 D133 I138	I61-R65 WeakPolarHBondContact O-CG 3.09Å; I61-R65 PolarHBondContact O-N 2.84Å; I61-R65 VanDerWaalsContact O-N 3.08Å; N62-R65 PolarHBondContact O-N 3.23Å; A63-R65 PolarHBondContact O-N 2.83Å; R65-Q111 PolarHBondContact O-OE1 2.88Å; R65-L115 HydrophobicContact CG-CD2 3.96Å; R65-D133 IonicContact CZ-OD2 2.82Å; R65-D133 IonicContact NH1-OD2 3.05Å; R65-D133 PolarHBondContact NH1-OD2 2.73Å; R65-I138 HydrophobicContact CB-CD1 4.04Å; R65-I138 HydrophobicContact CB-CG1 4.03Å; R65-I138 HydrophobicContact CB-CG2 4.43Å
66	Y	97.9	Very high	96.3	Very high	27 Å²	27	34.3 Å²	34.3	11%	0.106	16%	0.161	C	C	.	.	H	α-helix	trans	-90.4	-10.6	-176.9	-168.9	-108.3	0	0	0	114.2	N62 A63 F64 G68 T69 S70 I138 P140 A141 M146	N62-Y66 VanDerWaalsContact O-CB 3.31Å; N62-Y66 WeakPolarHBondContact O-CB 3.47Å; N62-Y66 PolarHBondContact O-N 2.89Å; A63-Y66 PolarHBondContact O-N 3.29Å; F64-Y66 VanDerWaalsContact C-N 3.32Å; F64-Y66 PolarHBondContact O-N 3.46Å; Y66-G68 PolarHBondContact O-N 2.93Å; Y66-T69 HydrophobicContact CD2-CG2 4.18Å; Y66-T69 HydrophobicContact CE2-CG2 3.49Å; Y66-T69 VanDerWaalsContact CE2-CG2 3.49Å; Y66-T69 PolarHBondContact O-N 3.21Å; Y66-S70 PolarHBondContact O-N 3.48Å; Y66-I138 HydrophobicContact CD2-CG2 3.79Å; Y66-I138 HydrophobicContact CG-CG2 4.44Å; Y66-P140 HydrophobicContact CE1-CB 4.5Å; Y66-P140 HydrophobicContact CE2-CB 4.34Å; Y66-A141 HydrophobicContact CD1-CB 3.79Å; Y66-A141 HydrophobicContact CG-CB 4.2Å; Y66-M146 HydrophobicContact CD1-SD 4.11Å
67	Y	98.7	Very high	96.7	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-50.3	-50.9	-174.6	168.5	-96.7	0	0	0	113.2	A63 T69 S70 M71 I107 N110 Q111 L114 L149 L153 H249	A63-Y67 PolarHBondContact O-N 3.44Å; Y67-T69 PolarHBondContact O-N 2.83Å; Y67-S70 PolarHBondContact O-N 3.46Å; Y67-M71 HydrophobicContact CD2-CG 3.94Å; Y67-M71 HydrophobicContact CE1-CG 4.19Å; Y67-M71 HydrophobicContact CE2-CG 3.54Å; Y67-M71 HydrophobicContact CE2-SD 4.33Å; Y67-M71 HydrophobicContact CG-CG 4.45Å; Y67-M71 WeakPolarHBondContact O-CG 3.41Å; Y67-M71 PolarHBondContact O-N 3.49Å; Y67-I107 HydrophobicContact CE1-CG2 4.19Å; Y67-N110 HydrophobicContact CD1-CB 4.48Å; Y67-N110 HydrophobicContact CE1-CB 3.54Å; Y67-N110 PolarHBondContact OH-ND2 2.84Å; Y67-Q111 HydrophobicContact CD1-CB 4.24Å; Y67-L114 HydrophobicContact CD1-CD1 3.5Å; Y67-L114 VanDerWaalsContact CD1-CD1 3.5Å; Y67-L114 HydrophobicContact CD2-CD1 4.01Å; Y67-L114 HydrophobicContact CE1-CD1 4.13Å; Y67-L114 HydrophobicContact CG-CD1 3.41Å; Y67-L114 VanDerWaalsContact CG-CD1 3.41Å; Y67-L149 HydrophobicContact CD2-CD2 3.37Å; Y67-L149 HydrophobicContact CE2-CD2 3.96Å; Y67-L149 HydrophobicContact CG-CD2 3.97Å; Y67-L153 HydrophobicContact CE2-CD1 3.74Å; Y67-H249 AromaticContact CE2-NE2 3.51Å; Y67-H249 AromaticContact CZ-NE2 3.59Å; Y67-H249 PolarHBondContact OH-NE2 2.55Å
68	G	98.4	Very high	97	Very high	5 Å²	5	39 Å²	39	5%	0.052	18%	0.178	C	C	.	.	H	α-helix	trans	-57.3	-54.3	-179.3	0	0	0	0	0	110.7	Y66 S70 M71 H72	Y66-G68 PolarHBondContact O-N 2.93Å; G68-S70 VanDerWaalsContact C-N 3.33Å; G68-S70 PolarHBondContact O-N 3.2Å; G68-M71 PolarHBondContact O-N 3.05Å; G68-M71 VanDerWaalsContact O-N 3.1Å; G68-H72 PolarHBondContact O-CD2 2.8Å; G68-H72 PolarHBondContact O-N 2.7Å
69	T	98.1	Very high	97.3	Very high	68 Å²	68	38.2 Å²	38.2	42%	0.417	18%	0.176	S	C	.	.	H	α-helix	trans	-51.5	-51.1	177.5	-55	0	0	0	0	111.6	Y66 Y67 M71 H72 E73	Y66-T69 HydrophobicContact CD2-CG2 4.18Å; Y66-T69 HydrophobicContact CE2-CG2 3.49Å; Y66-T69 VanDerWaalsContact CE2-CG2 3.49Å; Y66-T69 PolarHBondContact O-N 3.21Å; Y67-T69 PolarHBondContact O-N 2.83Å; T69-M71 PolarHBondContact O-N 2.68Å; T69-H72 PolarHBondContact O-N 2.79Å; T69-E73 WeakPolarHBondContact O-CG 3.13Å; T69-E73 PolarHBondContact O-N 3.05Å; T69-E73 VanDerWaalsContact O-N 3.09Å
70	S	98.1	Very high	97.6	Very high	24 Å²	24	41.9 Å²	41.9	17%	0.168	19%	0.187	C	C	.	.	H	α-helix	trans	-59.2	-44.1	179.1	-172.6	0	0	0	0	112.5	Y66 Y67 G68 E73 R74	Y66-S70 PolarHBondContact O-N 3.48Å; Y67-S70 PolarHBondContact O-N 3.46Å; G68-S70 VanDerWaalsContact C-N 3.33Å; G68-S70 PolarHBondContact O-N 3.2Å; S70-E73 PolarHBondContact O-N 2.82Å; S70-R74 PolarHBondContact O-N 3.46Å
71	M	98.5	Very high	97.8	Very high	12 Å²	12	47.3 Å²	47.3	6%	0.059	21%	0.213	C	C	.	.	H	α-helix	trans	-75	-37.1	-177	-66	-52.2	101.2	0	0	112.3	Y67 G68 T69 E73 R74 V75 I107 H249	Y67-M71 HydrophobicContact CD2-CG 3.94Å; Y67-M71 HydrophobicContact CE1-CG 4.19Å; Y67-M71 HydrophobicContact CE2-CG 3.54Å; Y67-M71 HydrophobicContact CE2-SD 4.33Å; Y67-M71 HydrophobicContact CG-CG 4.45Å; Y67-M71 WeakPolarHBondContact O-CG 3.41Å; Y67-M71 PolarHBondContact O-N 3.49Å; G68-M71 PolarHBondContact O-N 3.05Å; G68-M71 VanDerWaalsContact O-N 3.1Å; T69-M71 PolarHBondContact O-N 2.68Å; M71-E73 VanDerWaalsContact C-N 3.31Å; M71-E73 PolarHBondContact O-N 3.45Å; M71-R74 WeakPolarHBondContact O-CB 3.13Å; M71-R74 PolarHBondContact O-N 3.31Å; M71-V75 WeakPolarHBondContact O-CG2 3.06Å; M71-V75 PolarHBondContact O-N 3.45Å; M71-V75 VanDerWaalsContact O-N 3.1Å; M71-I107 HydrophobicContact CB-CB 4.39Å; M71-I107 HydrophobicContact CB-CD1 3.62Å; M71-I107 HydrophobicContact CB-CG1 3.75Å; M71-I107 HydrophobicContact CB-CG2 3.7Å; M71-H249 VanDerWaalsContact SD-CD2 3.58Å
72	H	98.7	Very high	98	Very high	41 Å²	41	48.1 Å²	48.1	19%	0.19	22%	0.216	C	C	.	.	H	α-helix	trans	-61.9	-38.7	172.8	-77.7	-78.8	0	0	0	111.7	G68 T69 R74 V75 N76 R104 D108	G68-H72 PolarHBondContact O-CD2 2.8Å; G68-H72 PolarHBondContact O-N 2.7Å; T69-H72 PolarHBondContact O-N 2.79Å; H72-R74 VanDerWaalsContact C-N 3.32Å; H72-R74 PolarHBondContact O-N 2.89Å; H72-V75 PolarHBondContact O-N 3.01Å; H72-N76 WeakPolarHBondContact O-CB 3.32Å; H72-N76 PolarHBondContact O-N 2.76Å; H72-N76 PolarHBondContact O-ND2 2.8Å; H72-N76 PolarHBondContact O-OD1 3.43Å; H72-R104 PolarHBondContact ND1-NH1 3.47Å; H72-D108 IonicContact CE1-OD1 3.61Å; H72-D108 IonicContact CE1-OD2 3.18Å; H72-D108 IonicContact NE2-OD1 3.96Å; H72-D108 PolarHBondContact NE2-OD1 2.97Å
73	E	98.2	Very high	98.2	Very high	96 Å²	96	55 Å²	55	45%	0.449	24%	0.241	S	C	.	.	H	α-helix	trans	-60.4	-40.8	174.3	-76.1	-179.2	178.1	0	0	112.5	T69 S70 M71 N76 R77	T69-E73 WeakPolarHBondContact O-CG 3.13Å; T69-E73 PolarHBondContact O-N 3.05Å; T69-E73 VanDerWaalsContact O-N 3.09Å; S70-E73 PolarHBondContact O-N 2.82Å; M71-E73 VanDerWaalsContact C-N 3.31Å; M71-E73 PolarHBondContact O-N 3.45Å; E73-N76 PolarHBondContact O-N 3.44Å; E73-R77 PolarHBondContact O-N 2.87Å
74	R	98.1	Very high	98.2	Very high	96 Å²	96	59.5 Å²	59.5	36%	0.362	27%	0.272	S	S	.	.	H	α-helix	trans	-61.6	-42.7	175.2	175.1	64.8	-172.2	85.5	2.3	111.6	S70 M71 H72 R77 T78 F251	S70-R74 PolarHBondContact O-N 3.46Å; M71-R74 WeakPolarHBondContact O-CB 3.13Å; M71-R74 PolarHBondContact O-N 3.31Å; H72-R74 VanDerWaalsContact C-N 3.32Å; H72-R74 PolarHBondContact O-N 2.89Å; R74-R77 PolarHBondContact O-N 2.9Å; R74-T78 PolarHBondContact NH1-OG1 3.29Å; R74-T78 PolarHBondContact O-N 3.32Å; R74-T78 PolarHBondContact O-OG1 3.39Å; R74-F251 HydrophobicContact CG-CE2 4.26Å
75	V	98.6	Very high	98.3	Very high	2 Å²	2	62.7 Å²	62.7	1%	0.012	29%	0.289	C	S	.	.	H	α-helix	trans	-69.9	-42.1	177.3	-178.6	0	0	0	0	111.1	M71 H72 R77 T78 E79 L100 I103 R104 I107 F251	M71-V75 WeakPolarHBondContact O-CG2 3.06Å; M71-V75 PolarHBondContact O-N 3.45Å; M71-V75 VanDerWaalsContact O-N 3.1Å; H72-V75 PolarHBondContact O-N 3.01Å; V75-R77 PolarHBondContact O-N 3.29Å; V75-T78 WeakPolarHBondContact O-CB 3.5Å; V75-T78 PolarHBondContact O-N 3.37Å; V75-E79 PolarHBondContact O-N 3.45Å; V75-L100 HydrophobicContact CG1-CB 3.96Å; V75-L100 HydrophobicContact CG1-CD1 4.45Å; V75-L100 HydrophobicContact CG1-CD2 4.3Å; V75-L100 HydrophobicContact CG1-CG 4.47Å; V75-I103 HydrophobicContact CG2-CG2 3.76Å; V75-R104 HydrophobicContact CG1-CG 4.18Å; V75-R104 VanDerWaalsContact CG1-CZ 3.45Å; V75-I107 HydrophobicContact CG2-CD1 3.64Å; V75-F251 HydrophobicContact CG2-CZ 4.4Å
76	N	98.6	Very high	98.4	Very high	68 Å²	68	63.4 Å²	63.4	36%	0.364	30%	0.3	S	S	.	.	H	α-helix	trans	-57.4	-37.1	174.8	-69.2	-11.4	0	0	0	111.6	H72 E73 R80 R104	H72-N76 WeakPolarHBondContact O-CB 3.32Å; H72-N76 PolarHBondContact O-N 2.76Å; H72-N76 PolarHBondContact O-ND2 2.8Å; H72-N76 PolarHBondContact O-OD1 3.43Å; E73-N76 PolarHBondContact O-N 3.44Å; N76-R80 WeakPolarHBondContact O-CB 3.14Å; N76-R80 VanDerWaalsContact O-CG 3.3Å; N76-R80 WeakPolarHBondContact O-CG 2.92Å; N76-R80 PolarHBondContact O-N 2.97Å; N76-R104 PolarHBondContact OD1-NH1 2.83Å; N76-R104 PolarHBondContact OD1-NH2 2.77Å
77	R	98.6	Very high	98.4	Very high	143 Å²	143	68 Å²	68	54%	0.54	32%	0.323	S	S	.	.	H	α-helix	trans	-65.3	-46.6	174.2	-166.3	-175.5	-54.4	-144	1.6	111.8	E73 R74 V75 E79 R80 Q81	E73-R77 PolarHBondContact O-N 2.87Å; R74-R77 PolarHBondContact O-N 2.9Å; V75-R77 PolarHBondContact O-N 3.29Å; R77-E79 VanDerWaalsContact C-N 3.31Å; R77-E79 PolarHBondContact O-N 2.97Å; R77-R80 PolarHBondContact O-N 2.86Å; R77-Q81 WeakPolarHBondContact O-CG 3.47Å; R77-Q81 PolarHBondContact O-N 3.18Å; R77-Q81 VanDerWaalsContact O-N 3.08Å
78	T	98.5	Very high	98.4	Very high	15 Å²	15	73 Å²	73	9%	0.092	35%	0.349	C	S	.	.	H	α-helix	trans	-57.4	-46.9	175	-57.4	0	0	0	0	111.1	R74 V75 Q81 F82 F96 L100	R74-T78 PolarHBondContact NH1-OG1 3.29Å; R74-T78 PolarHBondContact O-N 3.32Å; R74-T78 PolarHBondContact O-OG1 3.39Å; V75-T78 WeakPolarHBondContact O-CB 3.5Å; V75-T78 PolarHBondContact O-N 3.37Å; T78-Q81 PolarHBondContact O-N 2.88Å; T78-F82 PolarHBondContact O-N 3.47Å; T78-F96 HydrophobicContact CG2-CE1 4.03Å; T78-F96 HydrophobicContact CG2-CZ 3.61Å; T78-L100 HydrophobicContact CG2-CD1 4.22Å; T78-L100 HydrophobicContact CG2-CD2 3.98Å
79	E	98.6	Very high	98.4	Very high	30 Å²	30	77 Å²	77	14%	0.14	37%	0.367	C	S	.	.	H	α-helix	trans	-64.5	-44.5	-177.3	-168.7	177.1	173.7	0	0	111.9	V75 R77 Q81 F82 R83 L100 R104	V75-E79 PolarHBondContact O-N 3.45Å; R77-E79 VanDerWaalsContact C-N 3.31Å; R77-E79 PolarHBondContact O-N 2.97Å; E79-Q81 VanDerWaalsContact C-N 3.31Å; E79-Q81 PolarHBondContact O-N 2.96Å; E79-F82 PolarHBondContact O-N 3.17Å; E79-R83 HydrophobicContact CG-CG 4.5Å; E79-R83 WeakPolarHBondContact O-CB 3.42Å; E79-R83 WeakPolarHBondContact O-CG 3.29Å; E79-R83 PolarHBondContact O-N 2.83Å; E79-R83 IonicContact OE1-CZ 2.7Å; E79-R83 IonicContact OE1-NE 3.31Å; E79-R83 PolarHBondContact OE1-NE 2.89Å; E79-R83 VanDerWaalsContact OE1-NE 3.12Å; E79-R83 IonicContact OE1-NH2 3.71Å; E79-R83 PolarHBondContact OE1-NH2 3.17Å; E79-L100 HydrophobicContact CB-CD1 3.67Å; E79-L100 HydrophobicContact CG-CD1 4.02Å; E79-R104 IonicContact OE2-CZ 2.68Å; E79-R104 IonicContact OE2-NH2 3.86Å; E79-R104 PolarHBondContact OE2-NH2 3Å
80	R	98.7	Very high	98.4	Very high	174 Å²	174	75.9 Å²	75.9	66%	0.657	36%	0.357	S	S	*	.	H	α-helix	trans	-58.2	-42.9	174.4	-78	-173.6	-66.2	167	-3.2	111.9	N76 R77 S84	N76-R80 WeakPolarHBondContact O-CB 3.14Å; N76-R80 VanDerWaalsContact O-CG 3.3Å; N76-R80 WeakPolarHBondContact O-CG 2.92Å; N76-R80 PolarHBondContact O-N 2.97Å; R77-R80 PolarHBondContact O-N 2.86Å; R80-S84 PolarHBondContact O-N 2.99Å; R80-S84 VanDerWaalsContact O-N 3.16Å
81	Q	98.6	Very high	98.4	Very high	115 Å²	115	80.6 Å²	80.6	54%	0.537	38%	0.376	S	S	.	.	H	α-helix	trans	-64.5	-45	176.8	-72.9	174.4	-28.3	0	0	111.6	R77 T78 E79 R83 S84	R77-Q81 WeakPolarHBondContact O-CG 3.47Å; R77-Q81 PolarHBondContact O-N 3.18Å; R77-Q81 VanDerWaalsContact O-N 3.08Å; T78-Q81 PolarHBondContact O-N 2.88Å; E79-Q81 VanDerWaalsContact C-N 3.31Å; E79-Q81 PolarHBondContact O-N 2.96Å; Q81-R83 PolarHBondContact O-N 2.85Å; Q81-S84 WeakPolarHBondContact O-CB 3.35Å; Q81-S84 PolarHBondContact O-N 3.35Å; Q81-S84 VanDerWaalsContact O-N 3.16Å; Q81-S84 PolarHBondContact O-OG 3.38Å
82	F	98.5	Very high	98.4	Very high	17 Å²	17	86.6 Å²	86.6	8%	0.075	41%	0.408	C	S	.	.	H	α-helix	trans	-61	-45.5	177	178.9	-99.7	0	0	0	112.4	T78 E79 S84 L85 Q90 L93 F96 P97	T78-F82 PolarHBondContact O-N 3.47Å; E79-F82 PolarHBondContact O-N 3.17Å; F82-S84 PolarHBondContact O-N 3.44Å; F82-L85 HydrophobicContact CD2-CD1 3.98Å; F82-L85 HydrophobicContact CE2-CD1 4.47Å; F82-L85 VanDerWaalsContact O-CB 3.32Å; F82-L85 WeakPolarHBondContact O-CB 3.46Å; F82-L85 WeakPolarHBondContact O-CG 3.48Å; F82-L85 PolarHBondContact O-N 3.47Å; F82-L85 VanDerWaalsContact O-N 3.09Å; F82-Q90 HydrophobicContact CE1-CB 4.25Å; F82-Q90 HydrophobicContact CE1-CG 4.19Å; F82-Q90 HydrophobicContact CZ-CB 3.99Å; F82-Q90 HydrophobicContact CZ-CG 4.16Å; F82-L93 HydrophobicContact CE2-CB 3.97Å; F82-L93 HydrophobicContact CE2-CD1 4.06Å; F82-L93 HydrophobicContact CZ-CB 4.2Å; F82-F96 HydrophobicContact CB-CD1 3.95Å; F82-F96 HydrophobicContact CB-CE1 3.51Å; F82-F96 HydrophobicContact CB-CZ 4.41Å; F82-F96 AromaticContact CD1-CD1 3.75Å; F82-F96 HydrophobicContact CD1-CD1 3.75Å; F82-F96 HydrophobicContact CD1-CE1 4.21Å; F82-F96 HydrophobicContact CD2-CB 4.43Å; F82-F96 AromaticContact CD2-CD1 3.34Å; F82-F96 HydrophobicContact CD2-CD1 3.34Å; F82-F96 AromaticContact CD2-CE1 3.58Å; F82-F96 HydrophobicContact CD2-CE1 3.58Å; F82-F96 AromaticContact CD2-CG 3.89Å; F82-F96 HydrophobicContact CD2-CG 3.89Å; F82-F96 HydrophobicContact CD2-CZ 4.29Å; F82-F96 HydrophobicContact CE1-CB 4.49Å; F82-F96 HydrophobicContact CE1-CD1 4.06Å; F82-F96 HydrophobicContact CE2-CB 3.89Å; F82-F96 AromaticContact CE2-CD1 3.68Å; F82-F96 HydrophobicContact CE2-CD1 3.68Å; F82-F96 HydrophobicContact CE2-CE1 4.35Å; F82-F96 AromaticContact CE2-CG 3.83Å; F82-F96 HydrophobicContact CE2-CG 3.83Å; F82-F96 AromaticContact CG-CD1 3.38Å; F82-F96 HydrophobicContact CG-CD1 3.38Å; F82-F96 AromaticContact CG-CE1 3.49Å; F82-F96 HydrophobicContact CG-CE1 3.49Å; F82-F96 VanDerWaalsContact CG-CE1 3.49Å; F82-F96 HydrophobicContact CG-CG 4.34Å; F82-F96 HydrophobicContact CZ-CB 3.92Å; F82-F96 HydrophobicContact CZ-CD1 4.02Å; F82-F96 HydrophobicContact CZ-CG 4.24Å; F82-P97 HydrophobicContact CD1-CG 4.35Å; F82-P97 HydrophobicContact CE1-CG 3.8Å
83	R	98.2	Very high	98.4	Very high	168 Å²	168	89 Å²	89	63%	0.634	42%	0.422	S	S	*	.	H	α-helix	trans	-64.3	-21.5	177.9	-70.3	178.5	-178.6	-145.7	2.6	113.1	E79 Q81 L85 Q90	E79-R83 HydrophobicContact CG-CG 4.5Å; E79-R83 WeakPolarHBondContact O-CB 3.42Å; E79-R83 WeakPolarHBondContact O-CG 3.29Å; E79-R83 PolarHBondContact O-N 2.83Å; E79-R83 IonicContact OE1-CZ 2.7Å; E79-R83 IonicContact OE1-NE 3.31Å; E79-R83 PolarHBondContact OE1-NE 2.89Å; E79-R83 VanDerWaalsContact OE1-NE 3.12Å; E79-R83 IonicContact OE1-NH2 3.71Å; E79-R83 PolarHBondContact OE1-NH2 3.17Å; Q81-R83 PolarHBondContact O-N 2.85Å; R83-L85 VanDerWaalsContact C-N 3.34Å; R83-Q90 PolarHBondContact O-NE2 2.8Å
84	S	98.4	Very high	98.4	Very high	94 Å²	94	89.1 Å²	89.1	66%	0.657	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-11.1	176.2	77.5	0	0	0	0	114.1	R80 Q81 F82	R80-S84 PolarHBondContact O-N 2.99Å; R80-S84 VanDerWaalsContact O-N 3.16Å; Q81-S84 WeakPolarHBondContact O-CB 3.35Å; Q81-S84 PolarHBondContact O-N 3.35Å; Q81-S84 VanDerWaalsContact O-N 3.16Å; Q81-S84 PolarHBondContact O-OG 3.38Å; F82-S84 PolarHBondContact O-N 3.44Å
85	L	98.4	Very high	98.4	Very high	67 Å²	67	94.3 Å²	94.3	35%	0.351	45%	0.45	S	S	.	.	S	Bend	trans	-69.6	154.1	177.6	-60.9	177.2	0	0	0	111.3	F82 R83 Q90	F82-L85 HydrophobicContact CD2-CD1 3.98Å; F82-L85 HydrophobicContact CE2-CD1 4.47Å; F82-L85 VanDerWaalsContact O-CB 3.32Å; F82-L85 WeakPolarHBondContact O-CB 3.46Å; F82-L85 WeakPolarHBondContact O-CG 3.48Å; F82-L85 PolarHBondContact O-N 3.47Å; F82-L85 VanDerWaalsContact O-N 3.09Å; R83-L85 VanDerWaalsContact C-N 3.34Å; L85-Q90 HydrophobicContact CB-CG 4.11Å; L85-Q90 PolarHBondContact O-NE2 3.37Å
86	P	98.6	Very high	98.3	Very high	69 Å²	69	97.1 Å²	97.1	45%	0.448	46%	0.463	S	S	.	.			trans	-51.2	140.9	169.4	-28.6	36.4	0	0	0	112.9	N88 Q89 Q90	P86-N88 VanDerWaalsContact C-N 3.27Å; P86-N88 WeakPolarHBondContact CB-OD1 3.31Å; P86-N88 PolarHBondContact O-N 3.02Å; P86-Q89 HydrophobicContact CB-CG 4.39Å; P86-Q89 WeakPolarHBondContact O-CB 3.26Å; P86-Q89 PolarHBondContact O-N 2.91Å; P86-Q90 PolarHBondContact O-N 3.34Å; P86-Q90 VanDerWaalsContact O-N 3.17Å
87	H	97.8	Very high	98.3	Very high	124 Å²	124	96.1 Å²	96.1	57%	0.574	46%	0.46	S	S	*	.	H	α-helix	trans	-57.1	-38.7	-173.7	-174.5	63.4	0	0	0	113.3	Q89 Q90 Q91	H87-Q89 VanDerWaalsContact C-N 3.27Å; H87-Q89 PolarHBondContact O-N 3.19Å; H87-Q90 PolarHBondContact O-N 2.86Å; H87-Q91 PolarHBondContact CD2-NE2 2.92Å; H87-Q91 PolarHBondContact NE2-NE2 3.13Å; H87-Q91 WeakPolarHBondContact O-CG 3.37Å; H87-Q91 PolarHBondContact O-N 2.83Å
88	N	98.3	Very high	98.3	Very high	104 Å²	104	94.5 Å²	94.5	56%	0.556	46%	0.461	S	S	*	.	H	α-helix	trans	-62.4	-31.6	176.7	65.9	-44.6	0	0	0	112.8	P86 L92	P86-N88 VanDerWaalsContact C-N 3.27Å; P86-N88 WeakPolarHBondContact CB-OD1 3.31Å; P86-N88 PolarHBondContact O-N 3.02Å; N88-L92 WeakPolarHBondContact O-CG 3.42Å
89	Q	98.6	Very high	98.3	Very high	89 Å²	89	95.1 Å²	95.1	42%	0.416	46%	0.463	S	S	.	.	H	α-helix	trans	-75.9	-38.6	174.8	-65.8	-177.7	-6.9	0	0	111.7	P86 H87 Q91 L92	P86-Q89 HydrophobicContact CB-CG 4.39Å; P86-Q89 WeakPolarHBondContact O-CB 3.26Å; P86-Q89 PolarHBondContact O-N 2.91Å; H87-Q89 VanDerWaalsContact C-N 3.27Å; H87-Q89 PolarHBondContact O-N 3.19Å; Q89-Q91 VanDerWaalsContact C-N 3.27Å; Q89-Q91 PolarHBondContact O-N 2.98Å; Q89-L92 WeakPolarHBondContact O-CB 3.29Å; Q89-L92 PolarHBondContact O-N 3.5Å; Q89-L92 VanDerWaalsContact O-N 3.1Å
90	Q	98.2	Very high	98.3	Very high	46 Å²	46	93.8 Å²	93.8	22%	0.215	46%	0.457	C	S	.	.	H	α-helix	trans	-60.3	-39.3	174.9	-62.5	-176	39.3	0	0	111.4	F82 R83 L85 P86 H87 L92 L93	F82-Q90 HydrophobicContact CE1-CB 4.25Å; F82-Q90 HydrophobicContact CE1-CG 4.19Å; F82-Q90 HydrophobicContact CZ-CB 3.99Å; F82-Q90 HydrophobicContact CZ-CG 4.16Å; R83-Q90 PolarHBondContact O-NE2 2.8Å; L85-Q90 HydrophobicContact CB-CG 4.11Å; L85-Q90 PolarHBondContact O-NE2 3.37Å; P86-Q90 PolarHBondContact O-N 3.34Å; P86-Q90 VanDerWaalsContact O-N 3.17Å; H87-Q90 PolarHBondContact O-N 2.86Å; Q90-L92 PolarHBondContact O-N 2.87Å; Q90-L93 CarbonylContact O-C 3.39Å; Q90-L93 PolarHBondContact O-N 3.07Å
91	Q	98.2	Very high	98.3	Very high	123 Å²	123	88.9 Å²	88.9	58%	0.575	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-21.9	176.3	-73.2	-178.1	-15.6	0	0	114	H87 Q89 L93	H87-Q91 PolarHBondContact CD2-NE2 2.92Å; H87-Q91 PolarHBondContact NE2-NE2 3.13Å; H87-Q91 WeakPolarHBondContact O-CG 3.37Å; H87-Q91 PolarHBondContact O-N 2.83Å; Q89-Q91 VanDerWaalsContact C-N 3.27Å; Q89-Q91 PolarHBondContact O-N 2.98Å; Q91-L93 PolarHBondContact O-N 2.94Å
92	L	98.6	Very high	98.3	Very high	138 Å²	138	87 Å²	87	72%	0.723	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-19.5	173.2	-59.3	174.7	0	0	0	112.3	N88 Q89 Q90 P94	N88-L92 WeakPolarHBondContact O-CG 3.42Å; Q89-L92 WeakPolarHBondContact O-CB 3.29Å; Q89-L92 PolarHBondContact O-N 3.5Å; Q89-L92 VanDerWaalsContact O-N 3.1Å; Q90-L92 PolarHBondContact O-N 2.87Å; L92-P94 WeakPolarHBondContact O-CD 3.26Å
93	L	98.1	Very high	98.4	Very high	91 Å²	91	86.3 Å²	86.3	48%	0.476	43%	0.432	S	S	.	.			trans	-126	56.6	-174.8	-64.4	172.1	0	0	0	111.4	F82 Q90 Q91 R95 F96	F82-L93 HydrophobicContact CE2-CB 3.97Å; F82-L93 HydrophobicContact CE2-CD1 4.06Å; F82-L93 HydrophobicContact CZ-CB 4.2Å; Q90-L93 CarbonylContact O-C 3.39Å; Q90-L93 PolarHBondContact O-N 3.07Å; Q91-L93 PolarHBondContact O-N 2.94Å; L93-R95 PolarHBondContact O-N 3.43Å; L93-F96 HydrophobicContact CB-CB 3.99Å; L93-F96 WeakPolarHBondContact O-CB 3.36Å; L93-F96 PolarHBondContact O-N 3.42Å
94	P	97.3	Very high	98.4	Very high	99 Å²	99	79.9 Å²	79.9	64%	0.643	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-20.5	-172.2	28	-35.9	0	0	0	113.4	L92	L92-P94 WeakPolarHBondContact O-CD 3.26Å
95	R	98.1	Very high	98.4	Very high	204 Å²	204	81 Å²	81	77%	0.77	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-7	178.3	-64.5	-172.2	178.1	-173.3	-0.5	114	L93 L98 H99	L93-R95 PolarHBondContact O-N 3.43Å; R95-L98 PolarHBondContact O-N 3.07Å; R95-H99 PolarHBondContact O-N 3.16Å
96	F	98.3	Very high	98.4	Very high	62 Å²	62	78 Å²	78	27%	0.272	39%	0.385	S	S	.	.	H	α-helix	trans	-63.1	-46	-174.2	-176.1	-88.2	0	0	0	113.1	T78 F82 L93 L98 H99 L100	T78-F96 HydrophobicContact CG2-CE1 4.03Å; T78-F96 HydrophobicContact CG2-CZ 3.61Å; F82-F96 HydrophobicContact CB-CD1 3.95Å; F82-F96 HydrophobicContact CB-CE1 3.51Å; F82-F96 HydrophobicContact CB-CZ 4.41Å; F82-F96 AromaticContact CD1-CD1 3.75Å; F82-F96 HydrophobicContact CD1-CD1 3.75Å; F82-F96 HydrophobicContact CD1-CE1 4.21Å; F82-F96 HydrophobicContact CD2-CB 4.43Å; F82-F96 AromaticContact CD2-CD1 3.34Å; F82-F96 HydrophobicContact CD2-CD1 3.34Å; F82-F96 AromaticContact CD2-CE1 3.58Å; F82-F96 HydrophobicContact CD2-CE1 3.58Å; F82-F96 AromaticContact CD2-CG 3.89Å; F82-F96 HydrophobicContact CD2-CG 3.89Å; F82-F96 HydrophobicContact CD2-CZ 4.29Å; F82-F96 HydrophobicContact CE1-CB 4.49Å; F82-F96 HydrophobicContact CE1-CD1 4.06Å; F82-F96 HydrophobicContact CE2-CB 3.89Å; F82-F96 AromaticContact CE2-CD1 3.68Å; F82-F96 HydrophobicContact CE2-CD1 3.68Å; F82-F96 HydrophobicContact CE2-CE1 4.35Å; F82-F96 AromaticContact CE2-CG 3.83Å; F82-F96 HydrophobicContact CE2-CG 3.83Å; F82-F96 AromaticContact CG-CD1 3.38Å; F82-F96 HydrophobicContact CG-CD1 3.38Å; F82-F96 AromaticContact CG-CE1 3.49Å; F82-F96 HydrophobicContact CG-CE1 3.49Å; F82-F96 VanDerWaalsContact CG-CE1 3.49Å; F82-F96 HydrophobicContact CG-CG 4.34Å; F82-F96 HydrophobicContact CZ-CB 3.92Å; F82-F96 HydrophobicContact CZ-CD1 4.02Å; F82-F96 HydrophobicContact CZ-CG 4.24Å; L93-F96 HydrophobicContact CB-CB 3.99Å; L93-F96 WeakPolarHBondContact O-CB 3.36Å; L93-F96 PolarHBondContact O-N 3.42Å; F96-L98 VanDerWaalsContact C-N 3.35Å; F96-L98 PolarHBondContact O-N 3.37Å; F96-H99 PolarHBondContact O-N 3.34Å; F96-L100 HydrophobicContact CD1-CD1 4.23Å; F96-L100 HydrophobicContact CD1-CG 4.33Å; F96-L100 HydrophobicContact CE1-CD1 3.75Å; F96-L100 HydrophobicContact CE1-CD2 4.23Å; F96-L100 HydrophobicContact CE1-CG 4.06Å; F96-L100 HydrophobicContact CZ-CD2 4.26Å; F96-L100 PolarHBondContact O-N 3.26Å; F96-L100 VanDerWaalsContact O-N 3.14Å
97	P	98.1	Very high	98.4	Very high	47 Å²	47	74.9 Å²	74.9	31%	0.305	37%	0.365	S	S	.	.	H	α-helix	trans	-60.1	-42.9	175.1	-24.1	35.6	0	0	0	112.8	F82 H99 L100 D101	F82-P97 HydrophobicContact CD1-CG 4.35Å; F82-P97 HydrophobicContact CE1-CG 3.8Å; P97-H99 VanDerWaalsContact C-N 3.29Å; P97-H99 PolarHBondContact O-N 3.22Å; P97-L100 WeakPolarHBondContact O-CB 3.23Å; P97-L100 PolarHBondContact O-N 3.38Å; P97-D101 PolarHBondContact O-N 3.46Å; P97-D101 VanDerWaalsContact O-N 3.09Å
98	L	98.4	Very high	98.5	Very high	108 Å²	108	72.6 Å²	72.6	57%	0.565	36%	0.356	S	S	*	.	H	α-helix	trans	-60.7	-38.7	177.6	-60.9	175.2	0	0	0	112	R95 F96 L100 D101 E102	R95-L98 PolarHBondContact O-N 3.07Å; F96-L98 VanDerWaalsContact C-N 3.35Å; F96-L98 PolarHBondContact O-N 3.37Å; L98-L100 VanDerWaalsContact C-N 3.33Å; L98-L100 PolarHBondContact O-N 2.78Å; L98-D101 WeakPolarHBondContact O-CB 3.49Å; L98-D101 PolarHBondContact O-N 3.02Å; L98-E102 PolarHBondContact O-N 2.81Å; L98-E102 VanDerWaalsContact O-N 3.09Å
99	H	98.8	Very high	98.5	Very high	29 Å²	29	69.9 Å²	69.9	13%	0.134	34%	0.34	C	S	.	.	H	α-helix	trans	-65.1	-36.2	174.9	-176	65.2	0	0	0	112.2	R95 F96 P97 D101 E102 I103 S257 Q260	R95-H99 PolarHBondContact O-N 3.16Å; F96-H99 PolarHBondContact O-N 3.34Å; P97-H99 VanDerWaalsContact C-N 3.29Å; P97-H99 PolarHBondContact O-N 3.22Å; H99-D101 VanDerWaalsContact C-N 3.3Å; H99-D101 PolarHBondContact O-N 3.37Å; H99-E102 PolarHBondContact O-N 3.3Å; H99-I103 WeakPolarHBondContact O-CG1 3.28Å; H99-I103 PolarHBondContact O-N 2.71Å; H99-S257 PolarHBondContact CE1-O 2.97Å; H99-Q260 PolarHBondContact NE2-OE1 3.23Å; H99-Q260 VanDerWaalsContact NE2-OE1 3.07Å
100	L	98.8	Very high	98.5	Very high	2 Å²	2	65.6 Å²	65.6	1%	0.01	32%	0.32	C	S	.	.	H	α-helix	trans	-64.5	-36.1	173.6	-60.9	-172.3	0	0	0	111.8	V75 T78 E79 F96 P97 L98 I103 R104	V75-L100 HydrophobicContact CG1-CB 3.96Å; V75-L100 HydrophobicContact CG1-CD1 4.45Å; V75-L100 HydrophobicContact CG1-CD2 4.3Å; V75-L100 HydrophobicContact CG1-CG 4.47Å; T78-L100 HydrophobicContact CG2-CD1 4.22Å; T78-L100 HydrophobicContact CG2-CD2 3.98Å; E79-L100 HydrophobicContact CB-CD1 3.67Å; E79-L100 HydrophobicContact CG-CD1 4.02Å; F96-L100 HydrophobicContact CD1-CD1 4.23Å; F96-L100 HydrophobicContact CD1-CG 4.33Å; F96-L100 HydrophobicContact CE1-CD1 3.75Å; F96-L100 HydrophobicContact CE1-CD2 4.23Å; F96-L100 HydrophobicContact CE1-CG 4.06Å; F96-L100 HydrophobicContact CZ-CD2 4.26Å; F96-L100 PolarHBondContact O-N 3.26Å; F96-L100 VanDerWaalsContact O-N 3.14Å; P97-L100 WeakPolarHBondContact O-CB 3.23Å; P97-L100 PolarHBondContact O-N 3.38Å; L98-L100 VanDerWaalsContact C-N 3.33Å; L98-L100 PolarHBondContact O-N 2.78Å; L100-I103 HydrophobicContact CD2-CD1 4.14Å; L100-I103 WeakPolarHBondContact O-CB 3.1Å; L100-I103 PolarHBondContact O-N 3.02Å; L100-R104 WeakPolarHBondContact O-CG 3.42Å; L100-R104 PolarHBondContact O-N 3.15Å
101	D	98.8	Very high	98.6	Very high	70 Å²	70	64.5 Å²	64.5	37%	0.374	32%	0.315	S	S	.	.	H	α-helix	trans	-66	-38.6	175	-64.7	-29.6	0	0	0	111.9	P97 L98 H99 R104 K105	P97-D101 PolarHBondContact O-N 3.46Å; P97-D101 VanDerWaalsContact O-N 3.09Å; L98-D101 WeakPolarHBondContact O-CB 3.49Å; L98-D101 PolarHBondContact O-N 3.02Å; H99-D101 VanDerWaalsContact C-N 3.3Å; H99-D101 PolarHBondContact O-N 3.37Å; D101-R104 WeakPolarHBondContact O-CB 3.39Å; D101-R104 PolarHBondContact O-N 3.05Å; D101-K105 PolarHBondContact O-N 3.28Å; D101-K105 VanDerWaalsContact O-N 3.1Å
102	E	98.8	Very high	98.6	Very high	77 Å²	77	64.4 Å²	64.4	36%	0.36	32%	0.315	S	S	.	.	H	α-helix	trans	-64.9	-38.7	172.7	-64.7	-53.8	130.2	0	0	112.1	L98 H99 R104 K105 C106 I261	L98-E102 PolarHBondContact O-N 2.81Å; L98-E102 VanDerWaalsContact O-N 3.09Å; H99-E102 PolarHBondContact O-N 3.3Å; E102-R104 VanDerWaalsContact C-N 3.29Å; E102-R104 PolarHBondContact O-N 2.96Å; E102-K105 PolarHBondContact O-N 3.31Å; E102-K105 IonicContact OE1-NZ 3.87Å; E102-K105 PolarHBondContact OE1-NZ 3.47Å; E102-K105 IonicContact OE2-NZ 2.71Å; E102-C106 PolarHBondContact O-N 3.06Å; E102-C106 VanDerWaalsContact O-N 3.1Å; E102-C106 PolarHBondContact O-SG 2.88Å; E102-I261 HydrophobicContact CB-CD1 3.89Å; E102-I261 HydrophobicContact CG-CD1 4.48Å
103	I	98.9	Very high	98.6	Very high	1 Å²	1	58.5 Å²	58.5	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-60.1	-41	172.3	-66.7	169.1	0	0	0	110.6	V75 H99 L100 C106 I107 I248 F251 I261	V75-I103 HydrophobicContact CG2-CG2 3.76Å; H99-I103 WeakPolarHBondContact O-CG1 3.28Å; H99-I103 PolarHBondContact O-N 2.71Å; L100-I103 HydrophobicContact CD2-CD1 4.14Å; L100-I103 WeakPolarHBondContact O-CB 3.1Å; L100-I103 PolarHBondContact O-N 3.02Å; I103-C106 WeakPolarHBondContact O-CB 3.36Å; I103-C106 PolarHBondContact O-N 3.1Å; I103-I107 HydrophobicContact CG2-CD1 3.92Å; I103-I107 HydrophobicContact CG2-CG1 4.37Å; I103-I107 WeakPolarHBondContact O-CG1 3.1Å; I103-I107 PolarHBondContact O-N 2.9Å; I103-I248 HydrophobicContact CG2-CB 4.43Å; I103-F251 HydrophobicContact CD1-CE1 3.97Å; I103-F251 HydrophobicContact CD1-CZ 4.15Å; I103-I261 HydrophobicContact CB-CG2 4.48Å; I103-I261 HydrophobicContact CG1-CG2 3.6Å
104	R	98.9	Very high	98.6	Very high	34 Å²	34	54.2 Å²	54.2	13%	0.128	26%	0.261	C	S	.	.	H	α-helix	trans	-60.6	-45.8	177.5	-69.8	175.6	-167.5	-69.5	10.9	111.8	H72 V75 N76 E79 L100 D101 E102 C106 I107 D108	H72-R104 PolarHBondContact ND1-NH1 3.47Å; V75-R104 HydrophobicContact CG1-CG 4.18Å; V75-R104 VanDerWaalsContact CG1-CZ 3.45Å; N76-R104 PolarHBondContact OD1-NH1 2.83Å; N76-R104 PolarHBondContact OD1-NH2 2.77Å; E79-R104 IonicContact OE2-CZ 2.68Å; E79-R104 IonicContact OE2-NH2 3.86Å; E79-R104 PolarHBondContact OE2-NH2 3Å; L100-R104 WeakPolarHBondContact O-CG 3.42Å; L100-R104 PolarHBondContact O-N 3.15Å; D101-R104 WeakPolarHBondContact O-CB 3.39Å; D101-R104 PolarHBondContact O-N 3.05Å; E102-R104 VanDerWaalsContact C-N 3.29Å; E102-R104 PolarHBondContact O-N 2.96Å; R104-C106 VanDerWaalsContact C-N 3.25Å; R104-C106 PolarHBondContact O-N 3.02Å; R104-I107 WeakPolarHBondContact O-CA 3.33Å; R104-I107 WeakPolarHBondContact O-CB 3.31Å; R104-I107 PolarHBondContact O-N 2.98Å; R104-D108 PolarHBondContact O-N 2.88Å
105	K	98.9	Very high	98.5	Very high	118 Å²	118	52.6 Å²	52.6	51%	0.513	25%	0.247	S	C	.	.	H	α-helix	trans	-57.9	-39.1	174.4	-64.8	173.1	-173.3	168.9	0	112.4	D101 E102 D108 H109	D101-K105 PolarHBondContact O-N 3.28Å; D101-K105 VanDerWaalsContact O-N 3.1Å; E102-K105 PolarHBondContact O-N 3.31Å; E102-K105 IonicContact OE1-NZ 3.87Å; E102-K105 PolarHBondContact OE1-NZ 3.47Å; E102-K105 IonicContact OE2-NZ 2.71Å; K105-D108 PolarHBondContact O-N 2.78Å; K105-H109 WeakPolarHBondContact O-CB 3.26Å; K105-H109 PolarHBondContact O-N 3.46Å
106	C	98.9	Very high	98.3	Very high	4 Å²	4	45.2 Å²	45.2	3%	0.027	22%	0.224	C	C	.	.	H	α-helix	trans	-67.4	-36.1	175.9	-60.2	0	0	0	0	112.4	E102 I103 R104 N110 Y245 I248	E102-C106 PolarHBondContact O-N 3.06Å; E102-C106 VanDerWaalsContact O-N 3.1Å; E102-C106 PolarHBondContact O-SG 2.88Å; I103-C106 WeakPolarHBondContact O-CB 3.36Å; I103-C106 PolarHBondContact O-N 3.1Å; R104-C106 VanDerWaalsContact C-N 3.25Å; R104-C106 PolarHBondContact O-N 3.02Å; C106-N110 WeakPolarHBondContact O-CB 3.4Å; C106-N110 VanDerWaalsContact O-CG 3.32Å; C106-N110 PolarHBondContact O-N 2.81Å; C106-Y245 HydrophobicContact CB-CD1 4.06Å; C106-Y245 HydrophobicContact CB-CD2 3.71Å; C106-Y245 HydrophobicContact CB-CE1 4.46Å; C106-Y245 HydrophobicContact CB-CE2 4.15Å; C106-Y245 HydrophobicContact CB-CG 3.63Å; C106-Y245 VanDerWaalsContact SG-CD1 3.6Å; C106-Y245 VanDerWaalsContact SG-CE1 3.59Å; C106-I248 HydrophobicContact CB-CD1 3.9Å; C106-I248 HydrophobicContact CB-CG2 3.72Å
107	I	98.9	Very high	98.2	Very high	3 Å²	3	42.3 Å²	42.3	2%	0.015	21%	0.212	C	C	.	.	H	α-helix	trans	-64	-48.6	174	-68.7	163.5	0	0	0	110	Y67 M71 V75 I103 R104 H109 N110 Q111 I248	Y67-I107 HydrophobicContact CE1-CG2 4.19Å; M71-I107 HydrophobicContact CB-CB 4.39Å; M71-I107 HydrophobicContact CB-CD1 3.62Å; M71-I107 HydrophobicContact CB-CG1 3.75Å; M71-I107 HydrophobicContact CB-CG2 3.7Å; V75-I107 HydrophobicContact CG2-CD1 3.64Å; I103-I107 HydrophobicContact CG2-CD1 3.92Å; I103-I107 HydrophobicContact CG2-CG1 4.37Å; I103-I107 WeakPolarHBondContact O-CG1 3.1Å; I103-I107 PolarHBondContact O-N 2.9Å; R104-I107 WeakPolarHBondContact O-CA 3.33Å; R104-I107 WeakPolarHBondContact O-CB 3.31Å; R104-I107 PolarHBondContact O-N 2.98Å; I107-H109 PolarHBondContact O-N 3.47Å; I107-N110 PolarHBondContact O-N 2.94Å; I107-Q111 PolarHBondContact O-N 3.33Å; I107-I248 HydrophobicContact CG1-CD1 3.75Å
108	D	98.9	Very high	97.9	Very high	75 Å²	75	40.1 Å²	40.1	40%	0.401	20%	0.198	S	C	.	.	H	α-helix	trans	-58.7	-48.4	179.2	-66.7	-40	0	0	0	110.7	H72 R104 K105 N110 Q111 E112	H72-D108 IonicContact CE1-OD1 3.61Å; H72-D108 IonicContact CE1-OD2 3.18Å; H72-D108 IonicContact NE2-OD1 3.96Å; H72-D108 PolarHBondContact NE2-OD1 2.97Å; R104-D108 PolarHBondContact O-N 2.88Å; K105-D108 PolarHBondContact O-N 2.78Å; D108-N110 PolarHBondContact O-N 2.85Å; D108-Q111 WeakPolarHBondContact O-CB 3.44Å; D108-Q111 PolarHBondContact O-N 2.96Å; D108-Q111 VanDerWaalsContact O-N 3.09Å; D108-E112 WeakPolarHBondContact O-CG 3.37Å; D108-E112 PolarHBondContact O-N 2.54Å
109	H	98.9	Very high	97.4	Very high	47 Å²	47	40 Å²	40	22%	0.218	20%	0.198	C	C	.	.	H	α-helix	trans	-58.9	-46.3	175.8	-177.9	97.2	0	0	0	112.6	K105 I107 Q111 E112 I113 Q243 Y245	K105-H109 WeakPolarHBondContact O-CB 3.26Å; K105-H109 PolarHBondContact O-N 3.46Å; I107-H109 PolarHBondContact O-N 3.47Å; H109-Q111 VanDerWaalsContact C-N 3.27Å; H109-Q111 PolarHBondContact O-N 2.87Å; H109-E112 WeakPolarHBondContact O-CB 3.09Å; H109-E112 PolarHBondContact O-N 2.86Å; H109-I113 PolarHBondContact O-N 3.39Å; H109-Q243 PolarHBondContact CD2-O 2.94Å; H109-Q243 PolarHBondContact NE2-O 3.15Å; H109-Y245 HydrophobicContact CB-CD2 4.22Å; H109-Y245 HydrophobicContact CB-CE2 3.86Å; H109-Y245 AromaticContact CD2-CD2 3.92Å; H109-Y245 AromaticContact CD2-CE2 3.76Å; H109-Y245 AromaticContact CG-CE2 3.72Å
110	N	98.9	Very high	96.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-61.3	-38.3	175.9	-79	-2.2	0	0	0	111.4	Y67 C106 I107 D108 E112 I113 L114 L244 Y245 I248	Y67-N110 HydrophobicContact CD1-CB 4.48Å; Y67-N110 HydrophobicContact CE1-CB 3.54Å; Y67-N110 PolarHBondContact OH-ND2 2.84Å; C106-N110 WeakPolarHBondContact O-CB 3.4Å; C106-N110 VanDerWaalsContact O-CG 3.32Å; C106-N110 PolarHBondContact O-N 2.81Å; I107-N110 PolarHBondContact O-N 2.94Å; D108-N110 PolarHBondContact O-N 2.85Å; N110-E112 VanDerWaalsContact C-N 3.34Å; N110-I113 PolarHBondContact O-N 3.43Å; N110-L114 VanDerWaalsContact O-CG 3.24Å; N110-L114 WeakPolarHBondContact O-CG 3.32Å; N110-L114 PolarHBondContact O-N 2.9Å; N110-L244 HydrophobicContact CB-CD2 4.29Å; N110-L244 VanDerWaalsContact OD1-CD2 3.28Å; N110-L244 WeakPolarHBondContact OD1-CD2 3.42Å; N110-Y245 PolarHBondContact ND2-O 2.89Å; N110-Y245 PolarHBondContact OD1-N 2.73Å; N110-I248 WeakPolarHBondContact ND2-CD1 3.27Å
111	Q	98.7	Very high	95.7	Very high	23 Å²	23	40.8 Å²	40.8	11%	0.107	20%	0.203	C	C	.	.	H	α-helix	trans	-63.3	-39.4	176.4	-178.2	61.4	83.1	0	0	111.8	F64 R65 Y67 I107 D108 H109 L114 L115	F64-Q111 PolarHBondContact O-NE2 3.2Å; R65-Q111 PolarHBondContact O-OE1 2.88Å; Y67-Q111 HydrophobicContact CD1-CB 4.24Å; I107-Q111 PolarHBondContact O-N 3.33Å; D108-Q111 WeakPolarHBondContact O-CB 3.44Å; D108-Q111 PolarHBondContact O-N 2.96Å; D108-Q111 VanDerWaalsContact O-N 3.09Å; H109-Q111 VanDerWaalsContact C-N 3.27Å; H109-Q111 PolarHBondContact O-N 2.87Å; Q111-L114 PolarHBondContact O-N 2.93Å; Q111-L115 HydrophobicContact CG-CD1 4.27Å; Q111-L115 HydrophobicContact CG-CG 4.44Å; Q111-L115 VanDerWaalsContact O-CG 3.31Å; Q111-L115 WeakPolarHBondContact O-CG 3.26Å; Q111-L115 PolarHBondContact O-N 3.48Å
112	E	98.4	Very high	94.4	Very high	121 Å²	121	40.6 Å²	40.6	57%	0.565	20%	0.201	S	C	*	.	H	α-helix	trans	-60.5	-44.1	175.7	-69.6	171.3	-176.3	0	0	112	D108 H109 N110 L115 T116	D108-E112 WeakPolarHBondContact O-CG 3.37Å; D108-E112 PolarHBondContact O-N 2.54Å; H109-E112 WeakPolarHBondContact O-CB 3.09Å; H109-E112 PolarHBondContact O-N 2.86Å; N110-E112 VanDerWaalsContact C-N 3.34Å; E112-L115 PolarHBondContact O-N 3.22Å; E112-T116 PolarHBondContact O-N 2.88Å; E112-T116 PolarHBondContact O-OG1 2.85Å
113	I	98.3	Very high	93	Very high	13 Å²	13	44.3 Å²	44.3	7%	0.067	22%	0.218	C	C	.	.	H	α-helix	trans	-62.5	-45.7	174.9	-61.2	-63.8	0	0	0	110.9	H109 N110 L115 T116 I117 Y242 L244 F266	H109-I113 PolarHBondContact O-N 3.39Å; N110-I113 PolarHBondContact O-N 3.43Å; I113-L115 VanDerWaalsContact C-N 3.3Å; I113-L115 PolarHBondContact O-N 3.26Å; I113-T116 WeakPolarHBondContact O-CB 3.45Å; I113-T116 PolarHBondContact O-N 3.49Å; I113-T116 VanDerWaalsContact O-N 3.1Å; I113-I117 HydrophobicContact CG2-CD1 4.19Å; I113-I117 WeakPolarHBondContact O-CG1 3.31Å; I113-I117 PolarHBondContact O-N 3.09Å; I113-Y242 HydrophobicContact CD1-CD1 3.83Å; I113-L244 HydrophobicContact CB-CD2 3.72Å; I113-L244 HydrophobicContact CG1-CD2 3.8Å; I113-L244 HydrophobicContact CG1-CG 4.39Å; I113-L244 HydrophobicContact CG2-CD1 4.29Å; I113-L244 HydrophobicContact CG2-CD2 3.76Å; I113-L244 HydrophobicContact CG2-CG 4.17Å; I113-F266 HydrophobicContact CG2-CZ 4.33Å
114	L	97.9	Very high	92	Very high	1 Å²	1	45 Å²	45	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-63.1	-35.6	178.8	-68.1	166.3	0	0	0	112.5	F64 Y67 N110 Q111 I117 V118 L149 L153	F64-L114 HydrophobicContact CD1-CB 4.07Å; F64-L114 HydrophobicContact CD1-CD2 3.56Å; F64-L114 HydrophobicContact CD1-CG 4.4Å; F64-L114 HydrophobicContact CE1-CD2 3.68Å; Y67-L114 HydrophobicContact CD1-CD1 3.5Å; Y67-L114 VanDerWaalsContact CD1-CD1 3.5Å; Y67-L114 HydrophobicContact CD2-CD1 4.01Å; Y67-L114 HydrophobicContact CE1-CD1 4.13Å; Y67-L114 HydrophobicContact CG-CD1 3.41Å; Y67-L114 VanDerWaalsContact CG-CD1 3.41Å; N110-L114 VanDerWaalsContact O-CG 3.24Å; N110-L114 WeakPolarHBondContact O-CG 3.32Å; N110-L114 PolarHBondContact O-N 2.9Å; Q111-L114 PolarHBondContact O-N 2.93Å; L114-I117 HydrophobicContact CD2-CD1 4.43Å; L114-I117 PolarHBondContact O-N 3.48Å; L114-V118 WeakPolarHBondContact O-CG2 3.43Å; L114-V118 PolarHBondContact O-N 3.05Å; L114-L149 HydrophobicContact CD1-CD1 4.48Å; L114-L149 HydrophobicContact CD1-CD2 3.56Å; L114-L149 HydrophobicContact CD2-CD1 4.46Å; L114-L149 HydrophobicContact CD2-CD2 3.9Å; L114-L149 HydrophobicContact CD2-CG 4.34Å; L114-L149 HydrophobicContact CG-CD2 4.41Å; L114-L153 HydrophobicContact CD2-CD2 4.07Å; L114-L153 HydrophobicContact CG-CD2 4.43Å
115	L	95.6	Very high	91	Very high	66 Å²	66	44 Å²	44	35%	0.346	22%	0.218	S	C	.	.	H	α-helix	trans	-68.6	-35.7	173.6	-71.2	174.8	0	0	0	111.8	R65 Q111 E112 I113 V118 N119	R65-L115 HydrophobicContact CG-CD2 3.96Å; Q111-L115 HydrophobicContact CG-CD1 4.27Å; Q111-L115 HydrophobicContact CG-CG 4.44Å; Q111-L115 VanDerWaalsContact O-CG 3.31Å; Q111-L115 WeakPolarHBondContact O-CG 3.26Å; Q111-L115 PolarHBondContact O-N 3.48Å; E112-L115 PolarHBondContact O-N 3.22Å; I113-L115 VanDerWaalsContact C-N 3.3Å; I113-L115 PolarHBondContact O-N 3.26Å; L115-V118 PolarHBondContact O-N 3.46Å; L115-N119 WeakPolarHBondContact O-CB 3.41Å; L115-N119 PolarHBondContact O-N 2.81Å; L115-N119 PolarHBondContact O-ND2 3.46Å
116	T	95.1	Very high	89.7	Confident	48 Å²	48	44.3 Å²	44.3	29%	0.294	22%	0.222	S	C	.	.	H	α-helix	trans	-61.8	-47.5	173.8	-53.4	0	0	0	0	110.4	E112 I113 V118 N119 D120 F231	E112-T116 PolarHBondContact O-N 2.88Å; E112-T116 PolarHBondContact O-OG1 2.85Å; I113-T116 WeakPolarHBondContact O-CB 3.45Å; I113-T116 PolarHBondContact O-N 3.49Å; I113-T116 VanDerWaalsContact O-N 3.1Å; T116-V118 VanDerWaalsContact C-N 3.31Å; T116-V118 PolarHBondContact O-N 2.9Å; T116-N119 PolarHBondContact O-N 2.98Å; T116-N119 VanDerWaalsContact O-N 3.16Å; T116-D120 PolarHBondContact O-N 2.9Å; T116-D120 VanDerWaalsContact O-N 3.1Å; T116-F231 HydrophobicContact CG2-CD2 4.43Å; T116-F231 HydrophobicContact CG2-CE2 3.66Å; T116-F231 HydrophobicContact CG2-CZ 4.23Å
117	I	95.2	Very high	88.2	Confident	1 Å²	1	47.6 Å²	47.6	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-55.6	-45.3	174.4	-67.3	166.5	0	0	0	111.4	F64 I113 L114 D120 C121 F156 F227 F231	F64-I117 HydrophobicContact CD1-CG2 4.35Å; F64-I117 HydrophobicContact CE1-CB 4.43Å; F64-I117 HydrophobicContact CE1-CG2 3.84Å; I113-I117 HydrophobicContact CG2-CD1 4.19Å; I113-I117 WeakPolarHBondContact O-CG1 3.31Å; I113-I117 PolarHBondContact O-N 3.09Å; L114-I117 HydrophobicContact CD2-CD1 4.43Å; L114-I117 PolarHBondContact O-N 3.48Å; I117-D120 PolarHBondContact O-N 2.78Å; I117-C121 PolarHBondContact O-N 3.03Å; I117-F156 HydrophobicContact CD1-CE2 4.36Å; I117-F156 HydrophobicContact CD1-CZ 3.85Å; I117-F227 HydrophobicContact CG2-CB 3.68Å; I117-F231 HydrophobicContact CB-CB 4.46Å; I117-F231 HydrophobicContact CD1-CD1 4.2Å; I117-F231 HydrophobicContact CG1-CB 3.86Å; I117-F231 HydrophobicContact CG1-CD1 3.61Å; I117-F231 HydrophobicContact CG1-CD2 4.25Å; I117-F231 HydrophobicContact CG1-CE1 4.2Å; I117-F231 HydrophobicContact CG1-CG 3.62Å; I117-F231 HydrophobicContact CG2-CB 4.44Å
118	V	91.6	Very high	87.1	Confident	1 Å²	1	50 Å²	50	1%	0.006	25%	0.249	C	C	.	.	H	α-helix	trans	-64.3	-41.8	178.6	164.1	0	0	0	0	112.1	I61 F64 L114 L115 T116 D120 C121	I61-V118 HydrophobicContact CD1-CG1 4.18Å; I61-V118 HydrophobicContact CD1-CG2 4.24Å; I61-V118 HydrophobicContact CG2-CG1 3.84Å; F64-V118 HydrophobicContact CB-CG2 3.36Å; F64-V118 HydrophobicContact CD1-CG2 4.01Å; F64-V118 HydrophobicContact CG-CG2 3.87Å; L114-V118 WeakPolarHBondContact O-CG2 3.43Å; L114-V118 PolarHBondContact O-N 3.05Å; L115-V118 PolarHBondContact O-N 3.46Å; T116-V118 VanDerWaalsContact C-N 3.31Å; T116-V118 PolarHBondContact O-N 2.9Å; V118-D120 VanDerWaalsContact C-N 3.25Å; V118-D120 PolarHBondContact O-N 2.78Å; V118-C121 PolarHBondContact O-N 3.1Å; V118-C121 PolarHBondContact O-SG 3.47Å
119	N	87.5	Confident	86	Confident	106 Å²	106	54.2 Å²	54.2	57%	0.567	27%	0.266	S	S	*	.	H	α-helix	trans	-64.8	-34.2	-179.7	-69.3	-21.4	0	0	0	111.6	L115 T116	L115-N119 WeakPolarHBondContact O-CB 3.41Å; L115-N119 PolarHBondContact O-N 2.81Å; L115-N119 PolarHBondContact O-ND2 3.46Å; T116-N119 PolarHBondContact O-N 2.98Å; T116-N119 VanDerWaalsContact O-N 3.16Å
120	D	81.6	Confident	85.1	Confident	47 Å²	47	52.4 Å²	52.4	25%	0.251	26%	0.258	S	S	.	.	H	α-helix	trans	-80.3	-13.7	-179.1	-67.9	-23.8	0	0	0	113.7	T116 I117 V118 F231 R235	T116-D120 PolarHBondContact O-N 2.9Å; T116-D120 VanDerWaalsContact O-N 3.1Å; I117-D120 PolarHBondContact O-N 2.78Å; V118-D120 VanDerWaalsContact C-N 3.25Å; V118-D120 PolarHBondContact O-N 2.78Å; D120-F231 WeakPolarHBondContact OD2-CD2 3.28Å; D120-R235 HydrophobicContact CB-CG 4.27Å
121	C	80.3	Confident	84.1	Confident	1 Å²	1	54.6 Å²	54.6	1%	0.007	28%	0.28	C	S	.	.	H	α-helix	trans	-94.5	-10	-173	77.6	0	0	0	0	115.6	I61 I117 V118 H123 M124 F227	I61-C121 WeakPolarHBondContact CD1-SG 3.23Å; I117-C121 PolarHBondContact O-N 3.03Å; V118-C121 PolarHBondContact O-N 3.1Å; V118-C121 PolarHBondContact O-SG 3.47Å; C121-H123 PolarHBondContact O-N 2.99Å; C121-M124 HydrophobicContact CB-CB 4.44Å; C121-M124 HydrophobicContact CB-CE 4.31Å; C121-M124 HydrophobicContact CB-SD 4.37Å; C121-M124 WeakPolarHBondContact O-CB 3.38Å; C121-M124 PolarHBondContact O-N 3.12Å; C121-F227 HydrophobicContact CB-CB 4.29Å; C121-F227 HydrophobicContact CB-CD1 3.86Å; C121-F227 HydrophobicContact CB-CE1 4.4Å; C121-F227 HydrophobicContact CB-CG 4.08Å
122	I	71.6	Confident	82.9	Confident	65 Å²	65	62 Å²	62	33%	0.333	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-30.5	-175.5	-63.2	175.4	0	0	0	112
123	H	70.5	Confident	81.5	Confident	156 Å²	156	58.6 Å²	58.6	72%	0.722	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.7	29.5	178.5	-57.7	-65.2	0	0	0	112.7	C121	C121-H123 PolarHBondContact O-N 2.99Å
124	M	78.6	Confident	79.6	Confident	15 Å²	15	62 Å²	62	7%	0.074	34%	0.338	C	S	.	.			trans	-72.6	-30.5	-171.8	166.4	-177.8	63.7	0	0	114.7	F27 C121 F227 N230	F27-M124 HydrophobicContact CB-CG 4.25Å; F27-M124 HydrophobicContact CG-CG 4.41Å; C121-M124 HydrophobicContact CB-CB 4.44Å; C121-M124 HydrophobicContact CB-CE 4.31Å; C121-M124 HydrophobicContact CB-SD 4.37Å; C121-M124 WeakPolarHBondContact O-CB 3.38Å; C121-M124 PolarHBondContact O-N 3.12Å; M124-F227 HydrophobicContact CE-CD1 3.46Å; M124-F227 VanDerWaalsContact CE-CD1 3.46Å; M124-F227 HydrophobicContact CE-CE1 3.71Å; M124-F227 HydrophobicContact SD-CD1 4.26Å; M124-N230 HydrophobicContact CG-CB 3.77Å; M124-N230 WeakPolarHBondContact CG-ND2 3.46Å; M124-N230 HydrophobicContact SD-CB 3.25Å; M124-N230 WeakPolarHBondContact SD-CB 3.41Å; M124-N230 VanDerWaalsContact SD-CG 3.52Å
125	F	76.9	Confident	77.7	Confident	13 Å²	13	67.5 Å²	67.5	6%	0.057	37%	0.368	C	S	.	.			trans	-94.4	127.5	-176.2	-62.3	-70.1	0	0	0	111.3	F27 A29 F57 N127 K128 Y130 F223 L226 A284	F27-F125 HydrophobicContact CB-CD1 4.42Å; A29-F125 HydrophobicContact CB-CD1 4.25Å; A29-F125 HydrophobicContact CB-CG 4.43Å; F57-F125 HydrophobicContact CE2-CE2 4.41Å; F125-N127 PolarHBondContact O-N 3.23Å; F125-K128 HydrophobicContact CB-CB 4.18Å; F125-Y130 HydrophobicContact CD2-CD2 4.37Å; F125-Y130 AromaticContact CD2-CE2 3.55Å; F125-Y130 HydrophobicContact CD2-CE2 3.55Å; F125-Y130 AromaticContact CE2-CE2 3.56Å; F125-Y130 HydrophobicContact CE2-CE2 3.56Å; F125-F223 HydrophobicContact CE2-CE1 4.04Å; F125-F223 HydrophobicContact CZ-CD1 4.45Å; F125-F223 HydrophobicContact CZ-CE1 4.01Å; F125-L226 HydrophobicContact CZ-CD1 4.37Å; F125-A284 HydrophobicContact CD1-CB 4.38Å; F125-A284 HydrophobicContact CE1-CB 3.41Å; F125-A284 VanDerWaalsContact CE1-CB 3.41Å; F125-A284 HydrophobicContact CZ-CB 3.86Å
126	E	71.2	Confident	76.2	Confident	125 Å²	125	67 Å²	67	58%	0.584	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-27	-179.4	-64.8	-176.4	166.7	0	0	113.1	Q26 F27	Q26-E126 WeakPolarHBondContact CB-OE1 3.38Å; Q26-E126 VanDerWaalsContact CG-OE1 3.23Å; Q26-E126 WeakPolarHBondContact CG-OE1 3.28Å; Q26-E126 PolarHBondContact NE2-OE1 3.18Å; Q26-E126 PolarHBondContact NE2-OE2 3.24Å; F27-E126 PolarHBondContact O-N 3.48Å
127	N	66.8	Low	75.5	Confident	72 Å²	72	71.8 Å²	71.8	39%	0.385	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.8	9.4	-168.1	66.5	-35.9	0	0	0	114.3	A29 F125	A29-N127 PolarHBondContact N-OD1 2.62Å; A29-N127 PolarHBondContact O-ND2 3.36Å; F125-N127 PolarHBondContact O-N 3.23Å
128	K	76.6	Confident	75.1	Confident	54 Å²	54	76.2 Å²	76.2	24%	0.235	42%	0.418	C	S	.	.			trans	-151.7	134.7	-177.8	-164.8	163.5	-173.2	168.8	0	113.1	A29 E53 F125 Y130	A29-K128 HydrophobicContact CB-CB 3.94Å; A29-K128 HydrophobicContact CB-CD 3.94Å; E53-K128 WeakPolarHBondContact OE1-CE 3.35Å; E53-K128 IonicContact OE1-NZ 3.32Å; E53-K128 PolarHBondContact OE1-NZ 2.85Å; E53-K128 IonicContact OE2-NZ 3.76Å; E53-K128 PolarHBondContact OE2-NZ 3.44Å; F125-K128 HydrophobicContact CB-CB 4.18Å; K128-Y130 HydrophobicContact CD-CE1 4.13Å; K128-Y130 HydrophobicContact CD-CE2 4.48Å; K128-Y130 HydrophobicContact CG-CE1 4.45Å; K128-Y130 HydrophobicContact CG-CE2 4.35Å
129	E	75.8	Confident	75.1	Confident	163 Å²	163	79.5 Å²	79.5	76%	0.762	44%	0.438	S	S	*	.			trans	-117.4	137.7	172	-65.1	-175.2	172.2	0	0	110.2
130	Y	79.9	Confident	75.4	Confident	9 Å²	9	79.3 Å²	79.3	4%	0.035	44%	0.443	C	S	.	.			trans	-99.3	9.8	-179.9	-66.3	-78.6	0	0	0	113.9	E53 R54 F57 W58 F125 K128 F223	E53-Y130 HydrophobicContact CG-CE1 4.16Å; E53-Y130 WeakPolarHBondContact OE1-CE1 3.44Å; E53-Y130 PolarHBondContact OE1-OH 3.03Å; R54-Y130 HydrophobicContact CB-CD1 4.1Å; R54-Y130 HydrophobicContact CG-CD1 4.11Å; R54-Y130 WeakPolarHBondContact CG-O 3.45Å; F57-Y130 HydrophobicContact CB-CD1 3.93Å; F57-Y130 HydrophobicContact CB-CE1 4.17Å; F57-Y130 HydrophobicContact CB-CG 4.09Å; F57-Y130 HydrophobicContact CD1-CD2 4.12Å; F57-Y130 AromaticContact CD1-CG 3.87Å; F57-Y130 HydrophobicContact CD1-CG 3.87Å; F57-Y130 HydrophobicContact CD2-CD1 4.31Å; F57-Y130 AromaticContact CD2-CD2 3.4Å; F57-Y130 HydrophobicContact CD2-CD2 3.4Å; F57-Y130 VanDerWaalsContact CD2-CD2 3.4Å; F57-Y130 HydrophobicContact CD2-CE1 4.4Å; F57-Y130 AromaticContact CD2-CE2 3.52Å; F57-Y130 HydrophobicContact CD2-CE2 3.52Å; F57-Y130 AromaticContact CD2-CG 3.82Å; F57-Y130 HydrophobicContact CD2-CG 3.82Å; F57-Y130 HydrophobicContact CE1-CD2 4.18Å; F57-Y130 HydrophobicContact CE1-CG 4.25Å; F57-Y130 AromaticContact CE2-CD2 3.46Å; F57-Y130 HydrophobicContact CE2-CD2 3.46Å; F57-Y130 VanDerWaalsContact CE2-CD2 3.46Å; F57-Y130 AromaticContact CE2-CE2 3.75Å; F57-Y130 HydrophobicContact CE2-CE2 3.75Å; F57-Y130 HydrophobicContact CE2-CG 4.18Å; F57-Y130 HydrophobicContact CG-CD1 4.02Å; F57-Y130 AromaticContact CG-CD2 3.76Å; F57-Y130 HydrophobicContact CG-CD2 3.76Å; F57-Y130 HydrophobicContact CG-CE1 4.42Å; F57-Y130 HydrophobicContact CG-CE2 4.19Å; F57-Y130 AromaticContact CG-CG 3.65Å; F57-Y130 HydrophobicContact CG-CG 3.65Å; F57-Y130 AromaticContact CZ-CD2 3.88Å; F57-Y130 HydrophobicContact CZ-CD2 3.88Å; F57-Y130 HydrophobicContact CZ-CG 4.4Å; W58-Y130 PolarHBondContact NE1-O 3.13Å; F125-Y130 HydrophobicContact CD2-CD2 4.37Å; F125-Y130 AromaticContact CD2-CE2 3.55Å; F125-Y130 HydrophobicContact CD2-CE2 3.55Å; F125-Y130 AromaticContact CE2-CE2 3.56Å; F125-Y130 HydrophobicContact CE2-CE2 3.56Å; K128-Y130 HydrophobicContact CD-CE1 4.13Å; K128-Y130 HydrophobicContact CD-CE2 4.48Å; K128-Y130 HydrophobicContact CG-CE1 4.45Å; K128-Y130 HydrophobicContact CG-CE2 4.35Å; Y130-F223 HydrophobicContact CE1-CZ 4.42Å; Y130-F223 AromaticContact CZ-CZ 3.96Å
131	G	78.3	Confident	76.1	Confident	46 Å²	46	78 Å²	78	47%	0.474	44%	0.438	S	S	.	.			trans	77.7	-159.2	179.9	0	0	0	0	0	113.5	W58	W58-G131 WeakPolarHBondContact CZ2-O 3.36Å
132	E	72.8	Confident	76.8	Confident	180 Å²	180	80.2 Å²	80.2	84%	0.841	45%	0.453	S	S	*	.			trans	-100	152.9	173.8	-67.9	-174.4	172	0	0	111.2	G134	E132-G134 PolarHBondContact O-N 2.82Å
133	D	68.6	Low	77.8	Confident	49 Å²	49	82.2 Å²	82.2	26%	0.262	47%	0.469	S	S	.	.			trans	-67.2	93.4	170.8	-176.2	-6.9	0	0	0	109.4	W58 R65 N135 G136	W58-D133 HydrophobicContact CE3-CB 3.94Å; W58-D133 HydrophobicContact CH2-CB 3.85Å; W58-D133 HydrophobicContact CZ2-CB 4.41Å; W58-D133 HydrophobicContact CZ3-CB 3.59Å; R65-D133 IonicContact CZ-OD2 2.82Å; R65-D133 IonicContact NH1-OD2 3.05Å; R65-D133 PolarHBondContact NH1-OD2 2.73Å; D133-N135 PolarHBondContact O-N 2.8Å; D133-N135 PolarHBondContact OD1-N 2.73Å; D133-G136 VanDerWaalsContact CG-N 3.32Å; D133-G136 PolarHBondContact OD1-N 3.31Å; D133-G136 WeakPolarHBondContact OD2-CA 3.2Å; D133-G136 PolarHBondContact OD2-N 3.21Å
134	G	58.3	Low	79	Confident	83 Å²	83	79.8 Å²	79.8	86%	0.856	46%	0.456	S	S	*	.	S	Bend	trans	-62.8	-6.2	-176.7	0	0	0	0	0	115	E132	E132-G134 PolarHBondContact O-N 2.82Å
135	N	59.6	Low	79.7	Confident	118 Å²	118	79.3 Å²	79.3	63%	0.631	45%	0.454	S	S	*	.	S	Bend	trans	-122.9	-28.2	-178	-132	-6.7	0	0	0	113.9	D133 K137	D133-N135 PolarHBondContact O-N 2.8Å; D133-N135 PolarHBondContact OD1-N 2.73Å; N135-K137 WeakPolarHBondContact O-CG 3.27Å; N135-K137 PolarHBondContact O-N 3.23Å
136	G	63.7	Low	80.7	Confident	54 Å²	54	78.9 Å²	78.9	56%	0.557	45%	0.452	S	S	*	.			trans	58.4	-1.3	175.8	0	0	0	0	0	115.8	D133	D133-G136 VanDerWaalsContact CG-N 3.32Å; D133-G136 PolarHBondContact OD1-N 3.31Å; D133-G136 WeakPolarHBondContact OD2-CA 3.2Å; D133-G136 PolarHBondContact OD2-N 3.21Å
137	K	80.4	Confident	82	Confident	150 Å²	150	76.4 Å²	76.4	65%	0.652	44%	0.443	S	S	*	.			trans	-97.9	124.6	-174.2	-76.8	176.1	-176.8	175	0	108.9	N135 T139	N135-K137 WeakPolarHBondContact O-CG 3.27Å; N135-K137 PolarHBondContact O-N 3.23Å; K137-T139 PolarHBondContact O-N 2.77Å
138	I	86.9	Confident	83.4	Confident	93 Å²	93	75.2 Å²	75.2	48%	0.477	43%	0.434	S	S	.	.			trans	-66.9	122.5	170.8	-54.4	174	0	0	0	108.1	R65 Y66	R65-I138 HydrophobicContact CB-CD1 4.04Å; R65-I138 HydrophobicContact CB-CG1 4.03Å; R65-I138 HydrophobicContact CB-CG2 4.43Å; Y66-I138 HydrophobicContact CD2-CG2 3.79Å; Y66-I138 HydrophobicContact CG-CG2 4.44Å
139	T	91.3	Very high	84.4	Confident	70 Å²	70	72.6 Å²	72.6	43%	0.429	42%	0.423	S	S	.	.			trans	-112.1	155.2	176	60.4	0	0	0	0	110.4	N62 K137 A141	N62-T139 PolarHBondContact ND2-O 3Å; N62-T139 PolarHBondContact ND2-OG1 3.23Å; N62-T139 PolarHBondContact OD1-N 3.18Å; N62-T139 PolarHBondContact OD1-O 3.14Å; N62-T139 PolarHBondContact OD1-OG1 2.66Å; K137-T139 PolarHBondContact O-N 2.77Å; T139-A141 PolarHBondContact O-N 2.93Å; T139-A141 VanDerWaalsContact O-N 3.11Å
140	P	94.7	Very high	85.5	Confident	103 Å²	103	67.1 Å²	67.1	67%	0.669	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-57.1	119.3	177.4	-25.3	35.3	0	0	0	112	Y66	Y66-P140 HydrophobicContact CE1-CB 4.5Å; Y66-P140 HydrophobicContact CE2-CB 4.34Å
141	A	94.6	Very high	86.3	Confident	18 Å²	18	69.7 Å²	69.7	15%	0.149	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-78.3	156.6	173.1	0	0	0	0	0	111	A63 Y66 T139 M146	A63-A141 HydrophobicContact CB-CB 4.04Å; Y66-A141 HydrophobicContact CD1-CB 3.79Å; Y66-A141 HydrophobicContact CG-CB 4.2Å; T139-A141 PolarHBondContact O-N 2.93Å; T139-A141 VanDerWaalsContact O-N 3.11Å; A141-M146 HydrophobicContact CB-CE 3.65Å
142	S	94.9	Very high	87.3	Confident	48 Å²	48	67.6 Å²	67.6	34%	0.336	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-69.2	154.5	178.4	77.9	0	0	0	0	111.7	F144 D145 M146	S142-F144 PolarHBondContact O-N 3.37Å; S142-D145 WeakPolarHBondContact CB-OD2 3.39Å; S142-D145 PolarHBondContact O-N 2.98Å; S142-D145 PolarHBondContact OG-N 2.84Å; S142-D145 VanDerWaalsContact OG-N 3.11Å; S142-D145 PolarHBondContact OG-OD2 3.03Å; S142-M146 WeakPolarHBondContact O-CG 3.24Å; S142-M146 PolarHBondContact O-N 2.87Å; S142-M146 VanDerWaalsContact O-N 3.08Å
143	T	94.3	Very high	88.6	Confident	107 Å²	107	59 Å²	59	66%	0.656	35%	0.354	S	S	*	.	H	α-helix	trans	-57.5	-38	173.6	-52.4	0	0	0	0	111.5	M146 D147	T143-M146 PolarHBondContact O-N 2.7Å; T143-D147 PolarHBondContact O-N 3.18Å
144	F	93.9	Very high	90	Very high	106 Å²	106	59.5 Å²	59.5	47%	0.465	35%	0.354	S	S	.	.	H	α-helix	trans	-60.6	-45.5	177.3	-179.7	-101.7	0	0	0	112.1	S142 M146 D147 K148	S142-F144 PolarHBondContact O-N 3.37Å; F144-M146 VanDerWaalsContact C-N 3.31Å; F144-M146 PolarHBondContact O-N 2.76Å; F144-D147 PolarHBondContact O-N 2.98Å; F144-K148 HydrophobicContact CD1-CD 4.43Å; F144-K148 HydrophobicContact CE1-CD 3.93Å; F144-K148 HydrophobicContact CZ-CD 4.36Å; F144-K148 PolarHBondContact O-N 3.25Å
145	D	95.1	Very high	91.9	Very high	4 Å²	4	56 Å²	56	2%	0.021	32%	0.315	C	S	.	.	H	α-helix	trans	-65	-37	176.8	-61.2	-44	0	0	0	111.3	K59 A63 S142 K148 L149 F224	K59-D145 WeakPolarHBondContact CE-OD2 3.42Å; K59-D145 IonicContact NZ-OD1 3.83Å; K59-D145 IonicContact NZ-OD2 2.66Å; A63-D145 HydrophobicContact CB-CB 3.96Å; S142-D145 WeakPolarHBondContact CB-OD2 3.39Å; S142-D145 PolarHBondContact O-N 2.98Å; S142-D145 PolarHBondContact OG-N 2.84Å; S142-D145 VanDerWaalsContact OG-N 3.11Å; S142-D145 PolarHBondContact OG-OD2 3.03Å; D145-K148 PolarHBondContact O-N 2.77Å; D145-L149 WeakPolarHBondContact O-CB 3.46Å; D145-L149 PolarHBondContact O-N 3.35Å; D145-F224 HydrophobicContact CB-CZ 4.05Å
146	M	98.2	Very high	93.8	Very high	4 Å²	4	50.4 Å²	50.4	2%	0.02	29%	0.285	C	S	.	.	H	α-helix	trans	-67	-35.8	175.4	-67	-63.1	92.1	0	0	112.4	A63 Y66 A141 S142 T143 F144 L149 K150	A63-M146 HydrophobicContact CB-CE 3.66Å; A63-M146 WeakPolarHBondContact O-CE 3.38Å; Y66-M146 HydrophobicContact CD1-SD 4.11Å; A141-M146 HydrophobicContact CB-CE 3.65Å; S142-M146 WeakPolarHBondContact O-CG 3.24Å; S142-M146 PolarHBondContact O-N 2.87Å; S142-M146 VanDerWaalsContact O-N 3.08Å; T143-M146 PolarHBondContact O-N 2.7Å; F144-M146 VanDerWaalsContact C-N 3.31Å; F144-M146 PolarHBondContact O-N 2.76Å; M146-L149 HydrophobicContact CE-CD1 4.4Å; M146-L149 PolarHBondContact O-N 2.57Å; M146-K150 VanDerWaalsContact O-CG 3.27Å; M146-K150 WeakPolarHBondContact O-CG 3.39Å; M146-K150 PolarHBondContact O-N 3.34Å
147	D	96.5	Very high	95.5	Very high	73 Å²	73	48 Å²	48	39%	0.39	26%	0.26	S	S	.	.	H	α-helix	trans	-70.9	-36.5	175.8	-70.3	-22.3	0	0	0	112	T143 F144 K150 S151	T143-D147 PolarHBondContact O-N 3.18Å; F144-D147 PolarHBondContact O-N 2.98Å; D147-K150 PolarHBondContact O-N 2.93Å; D147-K150 IonicContact OD1-NZ 3.45Å; D147-K150 PolarHBondContact OD1-NZ 3.05Å; D147-S151 WeakPolarHBondContact O-CB 3.27Å; D147-S151 PolarHBondContact O-N 3.23Å; D147-S151 PolarHBondContact O-OG 3.42Å
148	K	97.1	Very high	96.3	Very high	47 Å²	47	41 Å²	41	20%	0.204	23%	0.229	C	C	.	.	H	α-helix	trans	-58.7	-47.4	168.1	-77	-169.3	169.7	-176.7	0	111	F144 D145 K150 S151 T152 F224	F144-K148 HydrophobicContact CD1-CD 4.43Å; F144-K148 HydrophobicContact CE1-CD 3.93Å; F144-K148 HydrophobicContact CZ-CD 4.36Å; F144-K148 PolarHBondContact O-N 3.25Å; D145-K148 PolarHBondContact O-N 2.77Å; K148-K150 PolarHBondContact O-N 2.9Å; K148-S151 CarbonylContact O-C 3.55Å; K148-S151 WeakPolarHBondContact O-CA 3.37Å; K148-S151 WeakPolarHBondContact O-CB 3.28Å; K148-S151 PolarHBondContact O-N 3.4Å; K148-T152 PolarHBondContact O-N 3.11Å; K148-T152 PolarHBondContact O-OG1 2.72Å; K148-T152 VanDerWaalsContact O-OG1 3.06Å; K148-F224 HydrophobicContact CB-CD1 4.38Å; K148-F224 HydrophobicContact CB-CD2 4.19Å; K148-F224 HydrophobicContact CB-CE1 4.24Å; K148-F224 HydrophobicContact CB-CE2 4.03Å; K148-F224 HydrophobicContact CB-CG 4.37Å; K148-F224 HydrophobicContact CB-CZ 4.06Å; K148-F224 HydrophobicContact CD-CD2 4.1Å; K148-F224 HydrophobicContact CD-CE2 3.84Å
149	L	97.8	Very high	96.9	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-65.2	-40.1	-178.5	-161.4	151.2	0	0	0	113.1	F64 Y67 L114 D145 M146 S151 T152 L153 F224	F64-L149 HydrophobicContact CB-CD1 4.3Å; F64-L149 HydrophobicContact CD1-CD1 4.39Å; F64-L149 HydrophobicContact CD2-CD1 3.85Å; F64-L149 HydrophobicContact CE2-CD1 4.32Å; F64-L149 HydrophobicContact CG-CD1 3.91Å; Y67-L149 HydrophobicContact CD2-CD2 3.37Å; Y67-L149 HydrophobicContact CE2-CD2 3.96Å; Y67-L149 HydrophobicContact CG-CD2 3.97Å; L114-L149 HydrophobicContact CD1-CD1 4.48Å; L114-L149 HydrophobicContact CD1-CD2 3.56Å; L114-L149 HydrophobicContact CD2-CD1 4.46Å; L114-L149 HydrophobicContact CD2-CD2 3.9Å; L114-L149 HydrophobicContact CD2-CG 4.34Å; L114-L149 HydrophobicContact CG-CD2 4.41Å; D145-L149 WeakPolarHBondContact O-CB 3.46Å; D145-L149 PolarHBondContact O-N 3.35Å; M146-L149 HydrophobicContact CE-CD1 4.4Å; M146-L149 PolarHBondContact O-N 2.57Å; L149-S151 VanDerWaalsContact C-N 3.26Å; L149-S151 PolarHBondContact O-N 2.98Å; L149-T152 WeakPolarHBondContact O-CB 3.16Å; L149-T152 PolarHBondContact O-N 3.3Å; L149-L153 HydrophobicContact CD2-CD1 4.19Å; L149-L153 HydrophobicContact CD2-CG 4.26Å; L149-L153 WeakPolarHBondContact O-CG 3.28Å; L149-L153 PolarHBondContact O-N 2.93Å; L149-F224 HydrophobicContact CB-CD1 4.21Å; L149-F224 HydrophobicContact CB-CE1 4Å; L149-F224 HydrophobicContact CD1-CE1 4.3Å; L149-F224 HydrophobicContact CG-CD1 4.49Å; L149-F224 HydrophobicContact CG-CE1 4.48Å
150	K	98.6	Very high	97.3	Very high	47 Å²	47	33.4 Å²	33.4	20%	0.204	19%	0.187	C	C	.	.	H	α-helix	trans	-59.1	-38.9	170.3	-68	166.8	-158.8	158.1	0	111.9	M146 D147 K148 K154 H249	M146-K150 VanDerWaalsContact O-CG 3.27Å; M146-K150 WeakPolarHBondContact O-CG 3.39Å; M146-K150 PolarHBondContact O-N 3.34Å; D147-K150 PolarHBondContact O-N 2.93Å; D147-K150 IonicContact OD1-NZ 3.45Å; D147-K150 PolarHBondContact OD1-NZ 3.05Å; K148-K150 PolarHBondContact O-N 2.9Å; K150-K154 WeakPolarHBondContact O-CG 3.47Å; K150-K154 PolarHBondContact O-N 2.75Å; K150-H249 HydrophobicContact CD-CB 4.22Å; K150-H249 HydrophobicContact CG-CB 4.47Å
151	S	97.9	Very high	97.5	Very high	63 Å²	63	28.7 Å²	28.7	44%	0.441	16%	0.156	S	C	.	.	H	α-helix	trans	-68.9	-40.9	177.7	-55.7	0	0	0	0	111.2	D147 K148 L149 L153 K154 Q155	D147-S151 WeakPolarHBondContact O-CB 3.27Å; D147-S151 PolarHBondContact O-N 3.23Å; D147-S151 PolarHBondContact O-OG 3.42Å; K148-S151 CarbonylContact O-C 3.55Å; K148-S151 WeakPolarHBondContact O-CA 3.37Å; K148-S151 WeakPolarHBondContact O-CB 3.28Å; K148-S151 PolarHBondContact O-N 3.4Å; L149-S151 VanDerWaalsContact C-N 3.26Å; L149-S151 PolarHBondContact O-N 2.98Å; S151-L153 PolarHBondContact O-N 3.46Å; S151-K154 WeakPolarHBondContact O-CB 3.25Å; S151-K154 PolarHBondContact O-N 2.9Å; S151-K154 VanDerWaalsContact O-N 3.08Å; S151-Q155 PolarHBondContact O-N 3.36Å
152	T	98.7	Very high	97.7	Very high	3 Å²	3	32.9 Å²	32.9	2%	0.018	17%	0.173	C	C	.	.	H	α-helix	trans	-57.8	-45.7	173.1	-56.2	0	0	0	0	111.8	K148 L149 K154 Q155 F156 F224 M225 S228	K148-T152 PolarHBondContact O-N 3.11Å; K148-T152 PolarHBondContact O-OG1 2.72Å; K148-T152 VanDerWaalsContact O-OG1 3.06Å; L149-T152 WeakPolarHBondContact O-CB 3.16Å; L149-T152 PolarHBondContact O-N 3.3Å; T152-K154 PolarHBondContact O-N 3.39Å; T152-Q155 WeakPolarHBondContact O-CB 3.14Å; T152-Q155 PolarHBondContact O-N 3.31Å; T152-F156 HydrophobicContact CG2-CE2 4.35Å; T152-F156 WeakPolarHBondContact O-CD2 3.05Å; T152-F156 PolarHBondContact O-N 3.02Å; T152-F224 WeakPolarHBondContact OG1-CB 3.29Å; T152-M225 HydrophobicContact CG2-SD 4.46Å; T152-S228 WeakPolarHBondContact CG2-OG 3.19Å
153	L	98.8	Very high	97.9	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-57.6	-36.9	175.1	-69.3	176.4	0	0	0	112.5	Y67 L114 L149 S151 L244	Y67-L153 HydrophobicContact CE2-CD1 3.74Å; L114-L153 HydrophobicContact CD2-CD2 4.07Å; L114-L153 HydrophobicContact CG-CD2 4.43Å; L149-L153 HydrophobicContact CD2-CD1 4.19Å; L149-L153 HydrophobicContact CD2-CG 4.26Å; L149-L153 WeakPolarHBondContact O-CG 3.28Å; L149-L153 PolarHBondContact O-N 2.93Å; S151-L153 PolarHBondContact O-N 3.46Å; L153-L244 HydrophobicContact CD2-CD1 4.03Å; L153-L244 HydrophobicContact CD2-CD2 3.88Å
154	K	98.8	Very high	98.1	Very high	59 Å²	59	28.6 Å²	28.6	26%	0.257	15%	0.145	S	C	.	.	H	α-helix	trans	-73.9	-26.5	175.7	-63.5	177.2	177.1	179.8	0	112.9	K150 S151 T152 F156 V157 R158 P246 W247 T378	K150-K154 WeakPolarHBondContact O-CG 3.47Å; K150-K154 PolarHBondContact O-N 2.75Å; S151-K154 WeakPolarHBondContact O-CB 3.25Å; S151-K154 PolarHBondContact O-N 2.9Å; S151-K154 VanDerWaalsContact O-N 3.08Å; T152-K154 PolarHBondContact O-N 3.39Å; K154-F156 VanDerWaalsContact C-N 3.27Å; K154-F156 PolarHBondContact O-N 2.97Å; K154-V157 WeakPolarHBondContact O-CB 3.31Å; K154-V157 WeakPolarHBondContact O-CG2 3.13Å; K154-V157 PolarHBondContact O-N 2.75Å; K154-R158 PolarHBondContact O-N 3.49Å; K154-P246 HydrophobicContact CG-CB 4.15Å; K154-W247 HydrophobicContact CG-CZ3 4.43Å; K154-T378 HydrophobicContact CB-CG2 4.07Å
155	Q	98.8	Very high	98.3	Very high	9 Å²	9	27.4 Å²	27.4	4%	0.042	14%	0.14	C	C	.	.	H	α-helix	trans	-64.5	-31.2	175.1	-71.5	-73.8	47.9	0	0	112.9	S151 T152 V157 R158 D159 L202 M225 Y377 T378	S151-Q155 PolarHBondContact O-N 3.36Å; T152-Q155 WeakPolarHBondContact O-CB 3.14Å; T152-Q155 PolarHBondContact O-N 3.31Å; Q155-V157 PolarHBondContact O-N 3.4Å; Q155-R158 PolarHBondContact O-N 2.81Å; Q155-R158 VanDerWaalsContact O-N 3.11Å; Q155-D159 PolarHBondContact O-N 3.42Å; Q155-L202 VanDerWaalsContact C-CD1 3.48Å; Q155-L202 HydrophobicContact CB-CD1 3.7Å; Q155-L202 HydrophobicContact CB-CG 3.93Å; Q155-M225 HydrophobicContact CG-CE 3.82Å; Q155-M225 HydrophobicContact CG-SD 4.13Å; Q155-Y377 PolarHBondContact NE2-OH 3.06Å; Q155-T378 HydrophobicContact CG-CG2 4.42Å; Q155-T378 VanDerWaalsContact OE1-CG2 3.25Å
156	F	98.9	Very high	98.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-56.8	-34.3	171.1	-78.3	-95	0	0	0	112.1	I117 T152 K154 W160 S161 L202 F231 V232 L244 F266	I117-F156 HydrophobicContact CD1-CE2 4.36Å; I117-F156 HydrophobicContact CD1-CZ 3.85Å; T152-F156 HydrophobicContact CG2-CE2 4.35Å; T152-F156 WeakPolarHBondContact O-CD2 3.05Å; T152-F156 PolarHBondContact O-N 3.02Å; K154-F156 VanDerWaalsContact C-N 3.27Å; K154-F156 PolarHBondContact O-N 2.97Å; F156-W160 CarbonylContact O-C 3.53Å; F156-W160 PolarHBondContact O-N 2.78Å; F156-S161 PolarHBondContact O-N 3.12Å; F156-S161 VanDerWaalsContact O-N 3.1Å; F156-L202 HydrophobicContact CB-CD1 4.46Å; F156-L202 HydrophobicContact CD1-CD1 4.35Å; F156-L202 HydrophobicContact CD2-CD1 3.93Å; F156-L202 HydrophobicContact CE2-CD1 4.23Å; F156-L202 HydrophobicContact CG-CD1 3.99Å; F156-F231 HydrophobicContact CE1-CD1 4.46Å; F156-V232 HydrophobicContact CD1-CG2 4.01Å; F156-V232 HydrophobicContact CE1-CG2 3.39Å; F156-V232 HydrophobicContact CZ-CG2 4.24Å; F156-L244 HydrophobicContact CB-CD1 4.15Å; F156-L244 HydrophobicContact CD1-CD1 4.16Å; F156-L244 HydrophobicContact CD2-CD1 3.97Å; F156-L244 HydrophobicContact CE2-CD1 4.42Å; F156-L244 HydrophobicContact CG-CD1 3.84Å; F156-F266 HydrophobicContact CD1-CD1 4.31Å; F156-F266 AromaticContact CD1-CD2 3.63Å; F156-F266 HydrophobicContact CD1-CD2 3.63Å; F156-F266 HydrophobicContact CD1-CE1 4.21Å; F156-F266 AromaticContact CD1-CE2 3.5Å; F156-F266 HydrophobicContact CD1-CE2 3.5Å; F156-F266 VanDerWaalsContact CD1-CE2 3.5Å; F156-F266 HydrophobicContact CD1-CG 4.03Å; F156-F266 AromaticContact CD1-CZ 3.79Å; F156-F266 HydrophobicContact CD1-CZ 3.79Å; F156-F266 AromaticContact CE1-CD2 3.97Å; F156-F266 HydrophobicContact CE1-CD2 3.97Å; F156-F266 AromaticContact CE1-CE2 3.42Å; F156-F266 HydrophobicContact CE1-CE2 3.42Å; F156-F266 VanDerWaalsContact CE1-CE2 3.42Å; F156-F266 AromaticContact CE1-CZ 3.78Å; F156-F266 HydrophobicContact CE1-CZ 3.78Å
157	V	98.9	Very high	98.5	Very high	4 Å²	4	32.9 Å²	32.9	2%	0.024	17%	0.173	C	C	.	.	H	α-helix	trans	-63	-53.8	174.8	-172.5	0	0	0	0	109.9	K154 Q155 S161 T163 G164 P246 W247 I264	K154-V157 WeakPolarHBondContact O-CB 3.31Å; K154-V157 WeakPolarHBondContact O-CG2 3.13Å; K154-V157 PolarHBondContact O-N 2.75Å; Q155-V157 PolarHBondContact O-N 3.4Å; V157-S161 WeakPolarHBondContact O-CB 3.22Å; V157-S161 PolarHBondContact O-N 2.92Å; V157-T163 HydrophobicContact CG1-CG2 3.73Å; V157-G164 WeakPolarHBondContact O-CA 3.43Å; V157-G164 PolarHBondContact O-N 3.29Å; V157-P246 HydrophobicContact CG2-CB 4.01Å; V157-P246 HydrophobicContact CG2-CG 3.54Å; V157-W247 HydrophobicContact CB-CH2 4.44Å; V157-W247 HydrophobicContact CB-CZ2 4.49Å; V157-W247 HydrophobicContact CG1-CH2 4.13Å; V157-W247 HydrophobicContact CG1-CZ2 3.98Å; V157-W247 HydrophobicContact CG2-CH2 3.96Å; V157-W247 HydrophobicContact CG2-CZ2 3.82Å; V157-I264 HydrophobicContact CG2-CD1 4.49Å; V157-I264 HydrophobicContact CG2-CG1 4.11Å; V157-I264 HydrophobicContact CG2-CG2 4.26Å
158	R	98.8	Very high	98.6	Very high	4 Å²	4	29.8 Å²	29.8	2%	0.015	16%	0.156	C	C	.	.	H	α-helix	trans	-59.7	-52.5	-177	177.7	-179.9	173.8	92.9	-2.4	110.9	K154 Q155 E167 R168 C171 Y172 T376 T378	K154-R158 PolarHBondContact O-N 3.49Å; Q155-R158 PolarHBondContact O-N 2.81Å; Q155-R158 VanDerWaalsContact O-N 3.11Å; R158-E167 VanDerWaalsContact CD-OE1 3.25Å; R158-E167 WeakPolarHBondContact CD-OE1 3.47Å; R158-E167 VanDerWaalsContact CG-OE1 3.24Å; R158-E167 WeakPolarHBondContact CG-OE1 3.37Å; R158-E167 IonicContact CZ-OE1 3.98Å; R158-E167 IonicContact NE-OE1 2.99Å; R158-E167 VanDerWaalsContact NH1-CD 3.31Å; R158-E167 VanDerWaalsContact NH1-CG 3.28Å; R158-E167 IonicContact NH1-OE1 3.51Å; R158-E167 PolarHBondContact NH1-OE1 2.97Å; R158-R168 WeakPolarHBondContact O-CD 3.43Å; R158-R168 WeakPolarHBondContact O-CG 3.46Å; R158-R168 PolarHBondContact O-NH1 2.9Å; R158-C171 PolarHBondContact NH2-SG 3.4Å; R158-Y172 PolarHBondContact NE-OH 3.42Å; R158-T376 PolarHBondContact NH1-O 3.34Å; R158-T378 HydrophobicContact CB-CG2 4.2Å
159	D	98.9	Very high	98.7	Very high	3 Å²	3	30 Å²	30	2%	0.016	16%	0.16	C	C	.	.	H	α-helix	trans	-91	-30.6	-166.3	-86.7	1	0	0	0	114.5	Q155 Y172 L202 R204	Q155-D159 PolarHBondContact O-N 3.42Å; D159-Y172 PolarHBondContact OD1-OH 3.41Å; D159-L202 HydrophobicContact CB-CB 3.89Å; D159-L202 HydrophobicContact CB-CD1 4.44Å; D159-L202 WeakPolarHBondContact OD2-CB 3.34Å; D159-L202 PolarHBondContact OD2-N 2.99Å; D159-R204 HydrophobicContact CB-CB 3.67Å; D159-R204 WeakPolarHBondContact O-CB 3.39Å; D159-R204 VanDerWaalsContact O-CD 3.31Å; D159-R204 WeakPolarHBondContact O-CD 3.39Å; D159-R204 WeakPolarHBondContact O-CG 3.34Å; D159-R204 PolarHBondContact O-NH1 3.33Å
160	W	98.9	Very high	98.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-135.6	9.9	-167.2	-65.4	110.3	0	0	0	114.6	F156 L202 R204 W207 V232 L233 F266 P267 D268 V269 P271	F156-W160 CarbonylContact O-C 3.53Å; F156-W160 PolarHBondContact O-N 2.78Å; W160-L202 PolarHBondContact NE1-O 2.97Å; W160-R204 HydrophobicContact CZ2-CB 4.27Å; W160-W207 HydrophobicContact CH2-CB 4.22Å; W160-W207 HydrophobicContact CH2-CD2 4.07Å; W160-W207 HydrophobicContact CH2-CE3 4.47Å; W160-W207 AromaticContact CH2-CG 3.94Å; W160-W207 HydrophobicContact CH2-CG 3.94Å; W160-V232 HydrophobicContact CB-CG1 4.41Å; W160-V232 HydrophobicContact CD2-CG1 3.48Å; W160-V232 VanDerWaalsContact CD2-CG1 3.48Å; W160-V232 HydrophobicContact CE3-CG1 3.99Å; W160-V232 HydrophobicContact CG-CG1 3.66Å; W160-V232 HydrophobicContact CG-CG2 4.47Å; W160-V232 HydrophobicContact CZ2-CG1 4.09Å; W160-V232 HydrophobicContact CZ3-CG1 4.47Å; W160-L233 HydrophobicContact CH2-CD2 3.72Å; W160-L233 HydrophobicContact CZ2-CD2 3.51Å; W160-L233 HydrophobicContact CZ2-CG 4.34Å; W160-F266 HydrophobicContact CB-CB 4.2Å; W160-F266 WeakPolarHBondContact O-CA 3.18Å; W160-F266 WeakPolarHBondContact O-CB 3.46Å; W160-P267 HydrophobicContact CB-CB 4.49Å; W160-P267 HydrophobicContact CE3-CB 4.06Å; W160-P267 CarbonylContact O-C 3.57Å; W160-P267 VanDerWaalsContact O-CA 3.26Å; W160-P267 WeakPolarHBondContact O-CA 3.3Å; W160-D268 WeakPolarHBondContact CA-OD1 3.5Å; W160-D268 PolarHBondContact O-N 3.09Å; W160-D268 VanDerWaalsContact O-OD1 3.08Å; W160-V269 HydrophobicContact CE3-CG2 4.21Å; W160-V269 HydrophobicContact CZ3-CG2 3.77Å; W160-P271 HydrophobicContact CE3-CG 4.49Å; W160-P271 HydrophobicContact CH2-CB 4.26Å; W160-P271 HydrophobicContact CH2-CG 4.23Å; W160-P271 HydrophobicContact CZ3-CB 4.36Å; W160-P271 HydrophobicContact CZ3-CG 3.92Å
161	S	98.9	Very high	98.7	Very high	3 Å²	3	29.2 Å²	29.2	2%	0.021	16%	0.161	C	C	.	.	S	Bend	trans	-113.7	146.6	171.5	-167.2	0	0	0	0	111	F156 V157 T163 G164 R168 F265	F156-S161 PolarHBondContact O-N 3.12Å; F156-S161 VanDerWaalsContact O-N 3.1Å; V157-S161 WeakPolarHBondContact O-CB 3.22Å; V157-S161 PolarHBondContact O-N 2.92Å; S161-T163 PolarHBondContact O-N 3.44Å; S161-T163 VanDerWaalsContact O-N 3.15Å; S161-T163 PolarHBondContact OG-N 3.43Å; S161-T163 PolarHBondContact OG-OG1 2.92Å; S161-G164 PolarHBondContact O-N 3.21Å; S161-R168 PolarHBondContact O-NH1 3.43Å; S161-F265 VanDerWaalsContact CB-O 3.28Å; S161-F265 WeakPolarHBondContact CB-O 3.08Å; S161-F265 PolarHBondContact OG-O 2.89Å
162	E	98.8	Very high	98.8	Very high	107 Å²	107	27 Å²	27	50%	0.5	14%	0.143	S	C	.	.	G	3₁₀ helix	trans	-57.9	-28.7	170.9	-176.8	59.8	-162.3	0	0	110.9	G164 K165 D268	E162-G164 PolarHBondContact O-N 3.36Å; E162-K165 WeakPolarHBondContact O-CB 3.16Å; E162-K165 PolarHBondContact O-N 3.32Å; E162-K165 WeakPolarHBondContact OE1-CD 3.48Å; E162-D268 HydrophobicContact CB-CB 4.22Å
163	T	98.6	Very high	98.8	Very high	61 Å²	61	31 Å²	31	37%	0.374	16%	0.161	S	C	.	.	G	3₁₀ helix	trans	-56	-35	174.1	-50.9	0	0	0	0	112.5	V157 S161 K165	V157-T163 HydrophobicContact CG1-CG2 3.73Å; S161-T163 PolarHBondContact O-N 3.44Å; S161-T163 VanDerWaalsContact O-N 3.15Å; S161-T163 PolarHBondContact OG-N 3.43Å; S161-T163 PolarHBondContact OG-OG1 2.92Å; T163-K165 VanDerWaalsContact C-N 3.32Å
164	G	98.8	Very high	98.8	Very high	4 Å²	4	32.4 Å²	32.4	4%	0.041	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-83.6	-1.7	179.2	0	0	0	0	0	114.7	V157 S161 E162 T166 E167 R168	V157-G164 WeakPolarHBondContact O-CA 3.43Å; V157-G164 PolarHBondContact O-N 3.29Å; S161-G164 PolarHBondContact O-N 3.21Å; E162-G164 PolarHBondContact O-N 3.36Å; G164-T166 PolarHBondContact O-N 2.76Å; G164-E167 WeakPolarHBondContact O-CB 3.23Å; G164-E167 PolarHBondContact O-N 3.29Å; G164-R168 PolarHBondContact O-N 3.39Å
165	K	98.8	Very high	98.8	Very high	80 Å²	80	29.6 Å²	29.6	35%	0.348	16%	0.157	S	C	.	.	H	α-helix	trans	-54.7	-47	-172	177.9	174.8	179.2	60.7	0	113.4	E162 T163 E167 R168 D169	E162-K165 WeakPolarHBondContact O-CB 3.16Å; E162-K165 PolarHBondContact O-N 3.32Å; E162-K165 WeakPolarHBondContact OE1-CD 3.48Å; T163-K165 VanDerWaalsContact C-N 3.32Å; K165-E167 VanDerWaalsContact C-N 3.26Å; K165-E167 PolarHBondContact O-N 3.07Å; K165-R168 PolarHBondContact O-N 3.22Å; K165-D169 IonicContact NZ-OD1 2.68Å; K165-D169 WeakPolarHBondContact O-CB 3.1Å; K165-D169 VanDerWaalsContact O-CG 3.23Å; K165-D169 PolarHBondContact O-N 2.75Å
166	T	98.5	Very high	98.8	Very high	113 Å²	113	30.2 Å²	30.2	69%	0.693	16%	0.161	S	C	*	.	H	α-helix	trans	-61.1	-38.6	179.9	-56.7	0	0	0	0	111.6	G164 D169 A170	G164-T166 PolarHBondContact O-N 2.76Å; T166-D169 PolarHBondContact O-N 3.44Å; T166-A170 PolarHBondContact O-N 2.99Å; T166-A170 VanDerWaalsContact O-N 3.07Å
167	E	98.8	Very high	98.8	Very high	10 Å²	10	36.9 Å²	36.9	5%	0.047	19%	0.19	C	C	.	.	H	α-helix	trans	-69.8	-42.7	178.8	-166.1	176.5	104.5	0	0	111.4	R158 G164 K165 D169 A170 C171 T376 Y377 T378 V379	R158-E167 VanDerWaalsContact CD-OE1 3.25Å; R158-E167 WeakPolarHBondContact CD-OE1 3.47Å; R158-E167 VanDerWaalsContact CG-OE1 3.24Å; R158-E167 WeakPolarHBondContact CG-OE1 3.37Å; R158-E167 IonicContact CZ-OE1 3.98Å; R158-E167 IonicContact NE-OE1 2.99Å; R158-E167 VanDerWaalsContact NH1-CD 3.31Å; R158-E167 VanDerWaalsContact NH1-CG 3.28Å; R158-E167 IonicContact NH1-OE1 3.51Å; R158-E167 PolarHBondContact NH1-OE1 2.97Å; G164-E167 WeakPolarHBondContact O-CB 3.23Å; G164-E167 PolarHBondContact O-N 3.29Å; K165-E167 VanDerWaalsContact C-N 3.26Å; K165-E167 PolarHBondContact O-N 3.07Å; E167-D169 VanDerWaalsContact C-N 3.32Å; E167-D169 PolarHBondContact O-N 3.35Å; E167-A170 PolarHBondContact O-N 2.98Å; E167-C171 PolarHBondContact O-N 3.1Å; E167-T376 VanDerWaalsContact CD-C 3.47Å; E167-T376 VanDerWaalsContact CD-O 3.24Å; E167-T376 VanDerWaalsContact CG-O 3.24Å; E167-T376 WeakPolarHBondContact CG-O 3.42Å; E167-T376 WeakPolarHBondContact CG-OG1 3.5Å; E167-T376 VanDerWaalsContact OE2-C 3.27Å; E167-T376 WeakPolarHBondContact OE2-CB 3.46Å; E167-T376 PolarHBondContact OE2-OG1 3.25Å; E167-Y377 WeakPolarHBondContact OE1-CA 3.38Å; E167-Y377 WeakPolarHBondContact OE2-CA 3.3Å; E167-Y377 PolarHBondContact OE2-N 2.9Å; E167-T378 PolarHBondContact OE1-N 2.82Å; E167-T378 PolarHBondContact OE2-N 3.2Å; E167-V379 PolarHBondContact OE2-N 2.91Å
168	R	98.9	Very high	98.8	Very high	8 Å²	8	37.4 Å²	37.4	3%	0.03	19%	0.192	C	C	.	.	H	α-helix	trans	-62	-39.7	171.1	-63.7	-162.9	-61.8	-84.2	5.2	112.1	R158 S161 G164 K165 A170 C171 Y172 R204 D268	R158-R168 WeakPolarHBondContact O-CD 3.43Å; R158-R168 WeakPolarHBondContact O-CG 3.46Å; R158-R168 PolarHBondContact O-NH1 2.9Å; S161-R168 PolarHBondContact O-NH1 3.43Å; G164-R168 PolarHBondContact O-N 3.39Å; K165-R168 PolarHBondContact O-N 3.22Å; R168-A170 VanDerWaalsContact C-N 3.26Å; R168-A170 PolarHBondContact O-N 3.47Å; R168-C171 PolarHBondContact O-N 3.38Å; R168-Y172 HydrophobicContact CB-CD2 3.67Å; R168-Y172 HydrophobicContact CB-CE2 4.03Å; R168-Y172 HydrophobicContact CB-CG 4.33Å; R168-Y172 HydrophobicContact CG-CD2 3.72Å; R168-Y172 HydrophobicContact CG-CE2 3.54Å; R168-Y172 WeakPolarHBondContact O-CA 3.38Å; R168-Y172 VanDerWaalsContact O-CB 3.27Å; R168-Y172 WeakPolarHBondContact O-CB 3.43Å; R168-Y172 PolarHBondContact O-N 3.01Å; R168-R204 VanDerWaalsContact CZ-NH1 3.25Å; R168-D268 IonicContact CZ-OD2 3.63Å; R168-D268 IonicContact NH2-OD1 3.85Å; R168-D268 IonicContact NH2-OD2 2.7Å; R168-D268 PolarHBondContact NH2-OD2 3.5Å
169	D	98.8	Very high	98.8	Very high	53 Å²	53	37.3 Å²	37.3	28%	0.283	19%	0.192	S	C	.	.	H	α-helix	trans	-64.1	-33.2	178.4	-79	-1.9	0	0	0	111.9	K165 T166 E167 K173	K165-D169 IonicContact NZ-OD1 2.68Å; K165-D169 WeakPolarHBondContact O-CB 3.1Å; K165-D169 VanDerWaalsContact O-CG 3.23Å; K165-D169 PolarHBondContact O-N 2.75Å; T166-D169 PolarHBondContact O-N 3.44Å; E167-D169 VanDerWaalsContact C-N 3.32Å; E167-D169 PolarHBondContact O-N 3.35Å; D169-K173 HydrophobicContact CB-CD 3.93Å; D169-K173 VanDerWaalsContact CG-CE 3.44Å; D169-K173 WeakPolarHBondContact O-CB 3.28Å; D169-K173 WeakPolarHBondContact OD1-CD 3.28Å; D169-K173 WeakPolarHBondContact OD1-CE 3.34Å; D169-K173 IonicContact OD1-NZ 2.73Å; D169-K173 PolarHBondContact OD1-NZ 2.9Å; D169-K173 IonicContact OD2-NZ 2.92Å; D169-K173 PolarHBondContact OD2-NZ 2.99Å
170	A	98.7	Very high	98.8	Very high	29 Å²	29	40.8 Å²	40.8	24%	0.24	21%	0.21	C	C	.	.	H	α-helix	trans	-76.6	-34.4	176.1	0	0	0	0	0	113.1	T166 E167 R168 P174	T166-A170 PolarHBondContact O-N 2.99Å; T166-A170 VanDerWaalsContact O-N 3.07Å; E167-A170 PolarHBondContact O-N 2.98Å; R168-A170 VanDerWaalsContact C-N 3.26Å; R168-A170 PolarHBondContact O-N 3.47Å; A170-P174 WeakPolarHBondContact O-CG 3.5Å
171	C	98.8	Very high	98.8	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-95.9	-49.5	-177.8	-67.2	0	0	0	0	114.4	R158 E167 R168 P174 F304 L332 S375	R158-C171 PolarHBondContact NH2-SG 3.4Å; E167-C171 PolarHBondContact O-N 3.1Å; R168-C171 PolarHBondContact O-N 3.38Å; C171-P174 WeakPolarHBondContact O-CD 3.46Å; C171-F304 VanDerWaalsContact SG-CE2 3.6Å; C171-L332 HydrophobicContact CB-CD2 4.22Å; C171-S375 PolarHBondContact SG-OG 2.67Å
172	Y	98.9	Very high	98.8	Very high	16 Å²	16	47.6 Å²	47.6	6%	0.063	24%	0.24	C	C	.	.	H	α-helix	trans	-85.6	-40.3	-167	-58.3	-14.2	0	0	0	112	R158 D159 R168 I175 I176 R204 L205	R158-Y172 PolarHBondContact NE-OH 3.42Å; D159-Y172 PolarHBondContact OD1-OH 3.41Å; R168-Y172 HydrophobicContact CB-CD2 3.67Å; R168-Y172 HydrophobicContact CB-CE2 4.03Å; R168-Y172 HydrophobicContact CB-CG 4.33Å; R168-Y172 HydrophobicContact CG-CD2 3.72Å; R168-Y172 HydrophobicContact CG-CE2 3.54Å; R168-Y172 WeakPolarHBondContact O-CA 3.38Å; R168-Y172 VanDerWaalsContact O-CB 3.27Å; R168-Y172 WeakPolarHBondContact O-CB 3.43Å; R168-Y172 PolarHBondContact O-N 3.01Å; Y172-I175 PolarHBondContact O-N 2.92Å; Y172-I176 WeakPolarHBondContact O-CG1 3.41Å; Y172-I176 PolarHBondContact O-N 2.9Å; Y172-R204 HydrophobicContact CD2-CG 4.32Å; Y172-R204 HydrophobicContact CE2-CB 4.18Å; Y172-R204 HydrophobicContact CE2-CG 3.98Å; Y172-L205 HydrophobicContact CD1-CB 4.13Å; Y172-L205 HydrophobicContact CD1-CD1 4.13Å; Y172-L205 HydrophobicContact CD1-CD2 4.29Å; Y172-L205 HydrophobicContact CD1-CG 4.41Å; Y172-L205 HydrophobicContact CD2-CB 4.31Å; Y172-L205 HydrophobicContact CE1-CB 4.22Å; Y172-L205 HydrophobicContact CE2-CB 4.39Å; Y172-L205 HydrophobicContact CG-CB 4.22Å; Y172-L205 HydrophobicContact CG-CD1 3.99Å
173	K	98.8	Very high	98.8	Very high	89 Å²	89	42.7 Å²	42.7	39%	0.387	22%	0.217	S	C	.	.	H	α-helix	trans	-59.4	-41.1	179.5	-71.5	179.5	168	167	0	113.6	D169 I175 I176 K177	D169-K173 HydrophobicContact CB-CD 3.93Å; D169-K173 VanDerWaalsContact CG-CE 3.44Å; D169-K173 WeakPolarHBondContact O-CB 3.28Å; D169-K173 WeakPolarHBondContact OD1-CD 3.28Å; D169-K173 WeakPolarHBondContact OD1-CE 3.34Å; D169-K173 IonicContact OD1-NZ 2.73Å; D169-K173 PolarHBondContact OD1-NZ 2.9Å; D169-K173 IonicContact OD2-NZ 2.92Å; D169-K173 PolarHBondContact OD2-NZ 2.99Å; K173-I175 VanDerWaalsContact C-N 3.35Å; K173-I176 PolarHBondContact O-N 3Å; K173-K177 WeakPolarHBondContact O-CB 3.35Å; K173-K177 WeakPolarHBondContact O-CG 3.45Å; K173-K177 PolarHBondContact O-N 3.23Å
174	P	98.9	Very high	98.8	Very high	28 Å²	28	41 Å²	41	18%	0.182	21%	0.207	C	C	.	.	H	α-helix	trans	-60	-43.1	175.6	-25.1	34.8	0	0	0	113	A170 C171 K177 E178 L332 L393	A170-P174 WeakPolarHBondContact O-CG 3.5Å; C171-P174 WeakPolarHBondContact O-CD 3.46Å; P174-K177 PolarHBondContact O-N 3.17Å; P174-E178 PolarHBondContact O-N 3.19Å; P174-L332 HydrophobicContact CB-CD1 3.87Å; P174-L332 HydrophobicContact CG-CD1 4.03Å; P174-L393 HydrophobicContact CB-CD2 3.88Å
175	I	98.9	Very high	98.6	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-62.7	-52.6	177	-62.4	173.6	0	0	0	110.3	Y172 K173 K177 E178 I179 L205 A301 C303 I330 L332	Y172-I175 PolarHBondContact O-N 2.92Å; K173-I175 VanDerWaalsContact C-N 3.35Å; I175-K177 VanDerWaalsContact C-N 3.27Å; I175-K177 PolarHBondContact O-N 3.23Å; I175-E178 PolarHBondContact O-N 3.24Å; I175-I179 HydrophobicContact CG2-CD1 4.08Å; I175-I179 PolarHBondContact O-N 3.16Å; I175-L205 HydrophobicContact CD1-CD2 3.93Å; I175-L205 HydrophobicContact CG2-CD1 4.49Å; I175-A301 HydrophobicContact CG2-CB 3.82Å; I175-C303 HydrophobicContact CD1-CB 3.65Å; I175-I330 HydrophobicContact CB-CG2 4.33Å; I175-I330 HydrophobicContact CG1-CG2 4.2Å; I175-I330 HydrophobicContact CG2-CG2 4.04Å; I175-L332 HydrophobicContact CD1-CB 4.02Å; I175-L332 HydrophobicContact CG1-CB 4.03Å
176	I	98.9	Very high	98.5	Very high	23 Å²	23	51.3 Å²	51.3	12%	0.118	25%	0.253	C	S	.	.	H	α-helix	trans	-58.4	-39.5	-179.3	-69.4	166.1	0	0	0	111.4	Y172 K173 E178 I179 I180 L205 E208 I209 L212	Y172-I176 WeakPolarHBondContact O-CG1 3.41Å; Y172-I176 PolarHBondContact O-N 2.9Å; K173-I176 PolarHBondContact O-N 3Å; I176-E178 PolarHBondContact O-N 3.49Å; I176-I179 PolarHBondContact O-N 2.91Å; I176-I180 HydrophobicContact CG2-CD1 3.83Å; I176-I180 HydrophobicContact CG2-CG1 4.42Å; I176-I180 WeakPolarHBondContact O-CG1 3.29Å; I176-I180 PolarHBondContact O-N 3.1Å; I176-L205 HydrophobicContact CD1-CD1 4.21Å; I176-L205 HydrophobicContact CG1-CD1 4.08Å; I176-E208 HydrophobicContact CD1-CB 3.8Å; I176-I209 HydrophobicContact CG1-CG1 4.26Å; I176-L212 HydrophobicContact CG2-CD1 3.56Å
177	K	98.9	Very high	98.5	Very high	139 Å²	139	56.2 Å²	56.2	60%	0.604	26%	0.259	S	S	*	.	H	α-helix	trans	-61.4	-42.3	175.8	-78.5	172.2	-179.7	179.1	0	112.3	K173 P174 I175 I180 K181	K173-K177 WeakPolarHBondContact O-CB 3.35Å; K173-K177 WeakPolarHBondContact O-CG 3.45Å; K173-K177 PolarHBondContact O-N 3.23Å; P174-K177 PolarHBondContact O-N 3.17Å; I175-K177 VanDerWaalsContact C-N 3.27Å; I175-K177 PolarHBondContact O-N 3.23Å; K177-I180 PolarHBondContact O-N 3Å; K177-K181 VanDerWaalsContact O-CB 3.25Å; K177-K181 WeakPolarHBondContact O-CB 3.34Å; K177-K181 PolarHBondContact O-N 3.31Å
178	E	98.9	Very high	98.5	Very high	16 Å²	16	60.9 Å²	60.9	8%	0.075	28%	0.276	C	S	.	.	H	α-helix	trans	-70.9	-32.6	177.8	-66.1	-59.3	150.6	0	0	111.9	P174 I175 I176 K181 N182 I330 V395	P174-E178 PolarHBondContact O-N 3.19Å; I175-E178 PolarHBondContact O-N 3.24Å; I176-E178 PolarHBondContact O-N 3.49Å; E178-K181 IonicContact OE1-NZ 2.74Å; E178-K181 WeakPolarHBondContact OE2-CD 3.34Å; E178-K181 IonicContact OE2-NZ 3.72Å; E178-K181 PolarHBondContact OE2-NZ 3.31Å; E178-N182 WeakPolarHBondContact O-CB 3.49Å; E178-N182 PolarHBondContact O-N 3.28Å; E178-N182 VanDerWaalsContact O-N 3.08Å; E178-N182 PolarHBondContact O-ND2 3.39Å; E178-I330 HydrophobicContact CB-CD1 3.95Å; E178-V395 HydrophobicContact CB-CG2 3.87Å; E178-V395 HydrophobicContact CG-CG2 3.72Å
179	I	98.9	Very high	98.4	Very high	1 Å²	1	64 Å²	64	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-60.2	-54.9	170	-66.4	171.6	0	0	0	110.3	I175 I176 K181 N182 F183 I195 I209 Y214 I330	I175-I179 HydrophobicContact CG2-CD1 4.08Å; I175-I179 PolarHBondContact O-N 3.16Å; I176-I179 PolarHBondContact O-N 2.91Å; I179-K181 VanDerWaalsContact C-N 3.28Å; I179-K181 PolarHBondContact O-N 3.08Å; I179-N182 PolarHBondContact O-N 3.28Å; I179-N182 VanDerWaalsContact O-N 3.12Å; I179-F183 HydrophobicContact CG2-CD2 4.33Å; I179-F183 PolarHBondContact O-N 3.39Å; I179-I195 HydrophobicContact CD1-CD1 4.24Å; I179-I195 HydrophobicContact CD1-CG2 4.41Å; I179-I195 HydrophobicContact CG1-CD1 4.49Å; I179-I195 HydrophobicContact CG2-CD1 3.5Å; I179-I209 HydrophobicContact CD1-CD1 3.52Å; I179-I209 HydrophobicContact CD1-CG1 3.77Å; I179-I209 HydrophobicContact CD1-CG2 4.41Å; I179-Y214 HydrophobicContact CG2-CD2 3.98Å; I179-Y214 HydrophobicContact CG2-CE1 4.38Å; I179-Y214 HydrophobicContact CG2-CE2 3.57Å; I179-I330 HydrophobicContact CG1-CD1 3.51Å
180	I	98.8	Very high	98.4	Very high	76 Å²	76	62.7 Å²	62.7	39%	0.39	29%	0.288	S	S	.	.	H	α-helix	trans	-60	-39.6	-178.8	-66.5	167.1	0	0	0	111.3	I176 K177 N182 F183 P184 L212	I176-I180 HydrophobicContact CG2-CD1 3.83Å; I176-I180 HydrophobicContact CG2-CG1 4.42Å; I176-I180 WeakPolarHBondContact O-CG1 3.29Å; I176-I180 PolarHBondContact O-N 3.1Å; K177-I180 PolarHBondContact O-N 3Å; I180-N182 VanDerWaalsContact C-N 3.33Å; I180-N182 PolarHBondContact O-N 3.34Å; I180-F183 CarbonylContact O-C 3.44Å; I180-P184 WeakPolarHBondContact O-CA 3.49Å; I180-P184 VanDerWaalsContact O-N 3.16Å; I180-L212 HydrophobicContact CD1-CD1 3.89Å; I180-L212 HydrophobicContact CG1-CD1 4.08Å
181	K	98.8	Very high	98.3	Very high	123 Å²	123	64.2 Å²	64.2	54%	0.535	30%	0.296	S	S	.	.	H	α-helix	trans	-64	-37.6	178.3	174.7	177.9	150	-145.4	0	112.3	K177 E178 I179	K177-K181 VanDerWaalsContact O-CB 3.25Å; K177-K181 WeakPolarHBondContact O-CB 3.34Å; K177-K181 PolarHBondContact O-N 3.31Å; E178-K181 IonicContact OE1-NZ 2.74Å; E178-K181 WeakPolarHBondContact OE2-CD 3.34Å; E178-K181 IonicContact OE2-NZ 3.72Å; E178-K181 PolarHBondContact OE2-NZ 3.31Å; I179-K181 VanDerWaalsContact C-N 3.28Å; I179-K181 PolarHBondContact O-N 3.08Å
182	N	98.8	Very high	98.3	Very high	24 Å²	24	71 Å²	71	13%	0.128	33%	0.326	C	S	.	.	H	α-helix	trans	-85.2	-32.2	-178.3	-81.7	-79.2	0	0	0	113.3	E178 I179 I180 P184 W188 I328 R397	E178-N182 WeakPolarHBondContact O-CB 3.49Å; E178-N182 PolarHBondContact O-N 3.28Å; E178-N182 VanDerWaalsContact O-N 3.08Å; E178-N182 PolarHBondContact O-ND2 3.39Å; I179-N182 PolarHBondContact O-N 3.28Å; I179-N182 VanDerWaalsContact O-N 3.12Å; I180-N182 VanDerWaalsContact C-N 3.33Å; I180-N182 PolarHBondContact O-N 3.34Å; N182-P184 VanDerWaalsContact O-CD 3.29Å; N182-P184 WeakPolarHBondContact O-CD 3.33Å; N182-W188 PolarHBondContact O-NE1 3.45Å; N182-I328 HydrophobicContact CB-CD1 3.52Å; N182-I328 VanDerWaalsContact CG-CD1 3.45Å; N182-R397 PolarHBondContact OD1-NH2 2.9Å
183	F	98.6	Very high	98.3	Very high	4 Å²	4	70.3 Å²	70.3	2%	0.018	32%	0.323	C	S	.	.	S	Bend	trans	-121.1	58	-179.5	-53.7	-74	0	0	0	111.7	I179 I180 W188 V193 Y214 D298 C299 I328	I179-F183 HydrophobicContact CG2-CD2 4.33Å; I179-F183 PolarHBondContact O-N 3.39Å; I180-F183 CarbonylContact O-C 3.44Å; F183-W188 HydrophobicContact CB-CB 4.48Å; F183-W188 HydrophobicContact CB-CG 4.27Å; F183-W188 AromaticContact CD1-CD2 3.77Å; F183-W188 HydrophobicContact CD1-CD2 3.77Å; F183-W188 AromaticContact CD1-CE2 3.74Å; F183-W188 HydrophobicContact CD1-CE3 4.07Å; F183-W188 HydrophobicContact CD1-CG 4.17Å; F183-W188 HydrophobicContact CD1-CH2 4.33Å; F183-W188 HydrophobicContact CD1-CZ2 4.04Å; F183-W188 HydrophobicContact CD1-CZ3 4.33Å; F183-W188 HydrophobicContact CE1-CH2 4.15Å; F183-W188 HydrophobicContact CE1-CZ2 4.1Å; F183-W188 HydrophobicContact CE1-CZ3 4.38Å; F183-V193 HydrophobicContact CB-CG1 4.19Å; F183-V193 HydrophobicContact CB-CG2 4.26Å; F183-V193 HydrophobicContact CD1-CG1 3.68Å; F183-V193 HydrophobicContact CD1-CG2 3.99Å; F183-V193 HydrophobicContact CD2-CG1 3.94Å; F183-V193 HydrophobicContact CE1-CG1 3.99Å; F183-V193 HydrophobicContact CE2-CG1 4.23Å; F183-V193 HydrophobicContact CG-CG1 3.65Å; F183-V193 HydrophobicContact CG-CG2 4.29Å; F183-V193 HydrophobicContact CZ-CG1 4.26Å; F183-Y214 HydrophobicContact CB-CE1 3.75Å; F183-Y214 PolarHBondContact O-OH 3.29Å; F183-D298 HydrophobicContact CE1-CB 4.14Å; F183-D298 HydrophobicContact CZ-CB 4.11Å; F183-C299 HydrophobicContact CE2-CB 3.77Å; F183-C299 HydrophobicContact CZ-CB 4.23Å; F183-I328 HydrophobicContact CE2-CD1 3.62Å; F183-I328 HydrophobicContact CE2-CG1 3.9Å; F183-I328 HydrophobicContact CZ-CD1 4.17Å; F183-I328 HydrophobicContact CZ-CG1 4.11Å
184	P	98.2	Very high	98.3	Very high	24 Å²	24	68.6 Å²	68.6	16%	0.156	32%	0.318	C	S	.	.			trans	-67.9	138.9	-179.1	29.2	-36.1	0	0	0	110.5	I180 N182 E186 R187 W188	I180-P184 WeakPolarHBondContact O-CA 3.49Å; I180-P184 VanDerWaalsContact O-N 3.16Å; N182-P184 VanDerWaalsContact O-CD 3.29Å; N182-P184 WeakPolarHBondContact O-CD 3.33Å; P184-E186 WeakPolarHBondContact CB-OE2 3.25Å; P184-E186 PolarHBondContact O-N 3.46Å; P184-R187 HydrophobicContact CG-CB 4.33Å; P184-R187 HydrophobicContact CG-CG 4.35Å; P184-R187 PolarHBondContact O-N 3.21Å; P184-W188 PolarHBondContact O-N 2.85Å
185	K	95.8	Very high	98.3	Very high	157 Å²	157	67.2 Å²	67.2	68%	0.683	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-20.5	-179.3	61.9	179.1	179	178	0	114.2	R187	K185-R187 PolarHBondContact O-N 3.11Å
186	E	96.9	Very high	98.3	Very high	144 Å²	144	67.2 Å²	67.2	67%	0.673	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-19.6	176	-62.3	72.9	-156.7	0	0	112.7	P184	P184-E186 WeakPolarHBondContact CB-OE2 3.25Å; P184-E186 PolarHBondContact O-N 3.46Å
187	R	97.8	Very high	98.3	Very high	217 Å²	217	66.3 Å²	66.3	82%	0.819	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.6	-24.9	-177	-61.1	-175.8	-172.3	177.3	2.6	113.7	P184 K185	P184-R187 HydrophobicContact CG-CB 4.33Å; P184-R187 HydrophobicContact CG-CG 4.35Å; P184-R187 PolarHBondContact O-N 3.21Å; K185-R187 PolarHBondContact O-N 3.11Å
188	W	98.1	Very high	98.3	Very high	107 Å²	107	59.7 Å²	59.7	41%	0.405	28%	0.276	S	S	.	.			trans	-121.4	143	-175.8	-64.4	86.5	0	0	0	110.5	N182 F183 P184 P190 V193	N182-W188 PolarHBondContact O-NE1 3.45Å; F183-W188 HydrophobicContact CB-CB 4.48Å; F183-W188 HydrophobicContact CB-CG 4.27Å; F183-W188 AromaticContact CD1-CD2 3.77Å; F183-W188 HydrophobicContact CD1-CD2 3.77Å; F183-W188 AromaticContact CD1-CE2 3.74Å; F183-W188 HydrophobicContact CD1-CE3 4.07Å; F183-W188 HydrophobicContact CD1-CG 4.17Å; F183-W188 HydrophobicContact CD1-CH2 4.33Å; F183-W188 HydrophobicContact CD1-CZ2 4.04Å; F183-W188 HydrophobicContact CD1-CZ3 4.33Å; F183-W188 HydrophobicContact CE1-CH2 4.15Å; F183-W188 HydrophobicContact CE1-CZ2 4.1Å; F183-W188 HydrophobicContact CE1-CZ3 4.38Å; P184-W188 PolarHBondContact O-N 2.85Å; W188-P190 VanDerWaalsContact O-CD 3.28Å; W188-P190 WeakPolarHBondContact O-CD 3.36Å; W188-V193 HydrophobicContact CB-CG2 4.07Å; W188-V193 HydrophobicContact CD2-CG2 4.3Å; W188-V193 HydrophobicContact CE3-CG2 3.8Å; W188-V193 HydrophobicContact CG-CG2 4.45Å
189	D	97.7	Very high	98.2	Very high	73 Å²	73	60.1 Å²	60.1	39%	0.39	29%	0.285	S	S	.	.			trans	-82	106.4	163.4	-178.2	3.7	0	0	0	107.9	S191 K192	D189-S191 PolarHBondContact O-N 2.89Å; D189-S191 PolarHBondContact OD1-OG 2.76Å; D189-K192 HydrophobicContact CB-CB 4.49Å; D189-K192 HydrophobicContact CB-CD 4.28Å; D189-K192 HydrophobicContact CB-CG 4.42Å; D189-K192 PolarHBondContact O-N 3.01Å; D189-K192 WeakPolarHBondContact OD2-CD 3.4Å; D189-K192 VanDerWaalsContact OD2-CE 3.32Å; D189-K192 WeakPolarHBondContact OD2-CE 3.39Å; D189-K192 IonicContact OD2-NZ 3.83Å; D189-K192 PolarHBondContact OD2-NZ 3.27Å
190	P	97.6	Very high	98.2	Very high	26 Å²	26	60.6 Å²	60.6	17%	0.169	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-57.4	-35.1	-170.5	-27.2	37.7	0	0	0	113	W188 K192 V193 G213 Y214	W188-P190 VanDerWaalsContact O-CD 3.28Å; W188-P190 WeakPolarHBondContact O-CD 3.36Å; P190-K192 PolarHBondContact O-N 3.5Å; P190-V193 PolarHBondContact O-N 3.24Å; P190-G213 CarbonylContact C-O 3.48Å; P190-G213 VanDerWaalsContact C-O 3.27Å; P190-G213 WeakPolarHBondContact CB-O 3.33Å; P190-Y214 HydrophobicContact CB-CD1 3.71Å; P190-Y214 HydrophobicContact CB-CE1 3.87Å; P190-Y214 HydrophobicContact CB-CG 4.36Å; P190-Y214 HydrophobicContact CG-CE1 4.47Å; P190-Y214 WeakPolarHBondContact O-CA 3.4Å
191	S	97.4	Very high	98.2	Very high	61 Å²	61	57.3 Å²	57.3	43%	0.427	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-68.4	-9	-178.5	76.1	0	0	0	0	113.7	D189 G213	D189-S191 PolarHBondContact O-N 2.89Å; D189-S191 PolarHBondContact OD1-OG 2.76Å; S191-G213 WeakPolarHBondContact CA-O 3.33Å; S191-G213 PolarHBondContact N-O 3.2Å
192	K	98.1	Very high	98.2	Very high	144 Å²	144	51.4 Å²	51.4	63%	0.626	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-106.4	-1.7	175.6	-64.6	-177.4	-178.8	126.2	0	113.3	D189 P190	D189-K192 HydrophobicContact CB-CB 4.49Å; D189-K192 HydrophobicContact CB-CD 4.28Å; D189-K192 HydrophobicContact CB-CG 4.42Å; D189-K192 PolarHBondContact O-N 3.01Å; D189-K192 WeakPolarHBondContact OD2-CD 3.4Å; D189-K192 VanDerWaalsContact OD2-CE 3.32Å; D189-K192 WeakPolarHBondContact OD2-CE 3.39Å; D189-K192 IonicContact OD2-NZ 3.83Å; D189-K192 PolarHBondContact OD2-NZ 3.27Å; P190-K192 PolarHBondContact O-N 3.5Å
193	V	98.8	Very high	98.2	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.242	C	C	.	.			trans	-92.2	107.2	174.1	178.7	0	0	0	0	107.3	F183 W188 P190 I195 Y214 A215 D298	F183-V193 HydrophobicContact CB-CG1 4.19Å; F183-V193 HydrophobicContact CB-CG2 4.26Å; F183-V193 HydrophobicContact CD1-CG1 3.68Å; F183-V193 HydrophobicContact CD1-CG2 3.99Å; F183-V193 HydrophobicContact CD2-CG1 3.94Å; F183-V193 HydrophobicContact CE1-CG1 3.99Å; F183-V193 HydrophobicContact CE2-CG1 4.23Å; F183-V193 HydrophobicContact CG-CG1 3.65Å; F183-V193 HydrophobicContact CG-CG2 4.29Å; F183-V193 HydrophobicContact CZ-CG1 4.26Å; W188-V193 HydrophobicContact CB-CG2 4.07Å; W188-V193 HydrophobicContact CD2-CG2 4.3Å; W188-V193 HydrophobicContact CE3-CG2 3.8Å; W188-V193 HydrophobicContact CG-CG2 4.45Å; P190-V193 PolarHBondContact O-N 3.24Å; V193-I195 HydrophobicContact CG1-CD1 4.2Å; V193-I195 HydrophobicContact CG1-CG1 4Å; V193-Y214 HydrophobicContact CB-CD1 3.93Å; V193-Y214 HydrophobicContact CB-CE1 4.4Å; V193-Y214 HydrophobicContact CG1-CD1 4.13Å; V193-Y214 HydrophobicContact CG1-CE1 4.46Å; V193-A215 PolarHBondContact O-N 3.46Å; V193-D298 HydrophobicContact CG1-CB 3.91Å
194	N	98.9	Very high	98.2	Very high	53 Å²	53	50.5 Å²	50.5	28%	0.283	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	117.8	-179.2	-62.4	-31.1	0	0	0	109.5	A215 W297 D298 C299	N194-A215 WeakPolarHBondContact CA-O 3.39Å; N194-W297 HydrophobicContact CB-CE3 3.77Å; N194-W297 HydrophobicContact CB-CZ3 4.08Å; N194-D298 PolarHBondContact N-OD2 3.48Å; N194-D298 PolarHBondContact O-N 3.08Å; N194-C299 PolarHBondContact O-N 3.46Å; N194-C299 VanDerWaalsContact O-N 3.17Å
195	I	98.9	Very high	98.3	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	123.9	-179.1	-50.3	-168.7	0	0	0	109.8	I179 V193 I209 Y214 A215 C216 Q217 C299	I179-I195 HydrophobicContact CD1-CD1 4.24Å; I179-I195 HydrophobicContact CD1-CG2 4.41Å; I179-I195 HydrophobicContact CG1-CD1 4.49Å; I179-I195 HydrophobicContact CG2-CD1 3.5Å; V193-I195 HydrophobicContact CG1-CD1 4.2Å; V193-I195 HydrophobicContact CG1-CG1 4Å; I195-I209 HydrophobicContact CB-CG2 4.31Å; I195-I209 HydrophobicContact CD1-CG2 3.76Å; I195-I209 HydrophobicContact CG1-CG2 4.5Å; I195-I209 HydrophobicContact CG2-CD1 4.42Å; I195-I209 HydrophobicContact CG2-CG2 4.29Å; I195-Y214 HydrophobicContact CD1-CD1 4.03Å; I195-Y214 HydrophobicContact CD1-CD2 4.15Å; I195-Y214 HydrophobicContact CD1-CG 3.73Å; I195-A215 PolarHBondContact N-O 2.94Å; I195-C216 WeakPolarHBondContact O-CA 3.32Å; I195-Q217 PolarHBondContact O-N 3.14Å; I195-C299 WeakPolarHBondContact CA-O 3.36Å; I195-C299 HydrophobicContact CB-CB 4.38Å; I195-C299 HydrophobicContact CD1-CB 4.36Å; I195-C299 HydrophobicContact CG1-CB 3.98Å; I195-C299 HydrophobicContact CG2-CB 4.07Å
196	L	98.9	Very high	98.4	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	136	173.9	178.6	62.2	0	0	0	110.6	P198 Q217 N219 F287 Y291 W297 C299 I300 A301 I322	L196-P198 HydrophobicContact CD2-CG 4.28Å; L196-P198 HydrophobicContact CG-CG 4.1Å; L196-Q217 CarbonylContact C-O 3.53Å; L196-Q217 WeakPolarHBondContact CA-O 3.39Å; L196-Q217 HydrophobicContact CD1-CB 4.42Å; L196-Q217 HydrophobicContact CD1-CG 4.48Å; L196-N219 HydrophobicContact CD1-CB 4.27Å; L196-F287 HydrophobicContact CD2-CD2 4.35Å; L196-F287 HydrophobicContact CD2-CE2 3.83Å; L196-Y291 HydrophobicContact CD1-CE1 3.84Å; L196-Y291 HydrophobicContact CD1-CE2 3.85Å; L196-Y291 WeakPolarHBondContact CD1-OH 3.26Å; L196-Y291 HydrophobicContact CD2-CD1 3.96Å; L196-Y291 HydrophobicContact CD2-CD2 3.88Å; L196-Y291 HydrophobicContact CD2-CE1 4.02Å; L196-Y291 HydrophobicContact CD2-CE2 3.94Å; L196-Y291 HydrophobicContact CD2-CG 3.9Å; L196-W297 HydrophobicContact CB-CD2 3.61Å; L196-W297 HydrophobicContact CB-CE3 3.55Å; L196-W297 HydrophobicContact CB-CG 4.18Å; L196-W297 HydrophobicContact CB-CH2 4.13Å; L196-W297 HydrophobicContact CB-CZ2 4.18Å; L196-W297 HydrophobicContact CB-CZ3 3.81Å; L196-W297 HydrophobicContact CD1-CH2 4.21Å; L196-W297 HydrophobicContact CD1-CZ2 4.16Å; L196-W297 HydrophobicContact CD2-CD2 4.36Å; L196-W297 HydrophobicContact CD2-CZ2 4.32Å; L196-W297 HydrophobicContact CG-CZ2 4.45Å; L196-C299 PolarHBondContact N-O 3.23Å; L196-I300 HydrophobicContact CB-CG1 4.33Å; L196-I300 WeakPolarHBondContact O-CA 3.32Å; L196-A301 PolarHBondContact O-N 2.98Å; L196-I322 HydrophobicContact CD2-CD1 3.9Å
197	V	98.9	Very high	98.5	Very high	3 Å²	3	35.8 Å²	35.8	2%	0.018	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	90.7	174.3	-174.2	0	0	0	0	109.2	A200 L205 A206 I209 Q217 G218 N219 A301	V197-A200 HydrophobicContact CG1-CB 4.28Å; V197-L205 HydrophobicContact CG1-CD2 4.08Å; V197-L205 HydrophobicContact CG1-CG 4.44Å; V197-A206 HydrophobicContact CB-CB 4.17Å; V197-A206 HydrophobicContact CG2-CB 4Å; V197-I209 HydrophobicContact CG2-CD1 3.89Å; V197-Q217 PolarHBondContact N-O 3.28Å; V197-G218 WeakPolarHBondContact O-CA 3.24Å; V197-N219 PolarHBondContact O-N 2.99Å; V197-A301 HydrophobicContact CG2-CB 4.43Å
198	P	98.8	Very high	98.6	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	143.1	174.2	-19.1	33.9	0	0	0	111.8	L196 F287 I300 T302 F305	L196-P198 HydrophobicContact CD2-CG 4.28Å; L196-P198 HydrophobicContact CG-CG 4.1Å; P198-F287 HydrophobicContact CB-CD2 3.76Å; P198-F287 HydrophobicContact CB-CE2 4.13Å; P198-F287 HydrophobicContact CB-CG 4.11Å; P198-F287 HydrophobicContact CG-CD2 3.73Å; P198-F287 HydrophobicContact CG-CE2 3.6Å; P198-F287 HydrophobicContact CG-CG 4.48Å; P198-F287 HydrophobicContact CG-CZ 4.23Å; P198-I300 HydrophobicContact CG-CG2 3.85Å; P198-T302 HydrophobicContact CG-CG2 4.2Å; P198-F305 HydrophobicContact CB-CD1 3.89Å; P198-F305 HydrophobicContact CB-CD2 4.39Å; P198-F305 HydrophobicContact CB-CE1 3.47Å; P198-F305 VanDerWaalsContact CB-CE1 3.47Å; P198-F305 HydrophobicContact CB-CE2 4.01Å; P198-F305 HydrophobicContact CB-CG 4.32Å; P198-F305 HydrophobicContact CB-CZ 3.53Å; P198-F305 HydrophobicContact CG-CE1 4.35Å
199	G	98.4	Very high	98.6	Very high	25 Å²	25	23.1 Å²	23.1	26%	0.258	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	61	47.5	-176.8	0	0	0	0	0	112.5	G201 N219	G199-G201 PolarHBondContact O-N 3.24Å; G199-G201 VanDerWaalsContact O-N 3.12Å; G199-N219 CarbonylContact C-O 3.36Å; G199-N219 WeakPolarHBondContact CA-O 3.24Å; G199-N219 PolarHBondContact N-O 3.47Å
200	A	98.6	Very high	98.6	Very high	11 Å²	11	19.6 Å²	19.6	9%	0.091	11%	0.111	C	C	.	.			trans	-67.1	-10.6	-171.7	0	0	0	0	0	114.2	V197 L202 G203 N219 M282	V197-A200 HydrophobicContact CG1-CB 4.28Å; A200-L202 PolarHBondContact O-N 2.99Å; A200-G203 WeakPolarHBondContact O-CA 3.31Å; A200-G203 PolarHBondContact O-N 3.44Å; A200-N219 PolarHBondContact N-O 2.98Å; A200-M282 HydrophobicContact CB-CE 3.96Å; A200-M282 HydrophobicContact CB-SD 4.17Å
201	G	98.7	Very high	98.7	Very high	7 Å²	7	21 Å²	21	7%	0.072	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.9	-120.4	178.2	0	0	0	0	0	111.4	G199 G203 E220	G199-G201 PolarHBondContact O-N 3.24Å; G199-G201 VanDerWaalsContact O-N 3.12Å; G201-G203 VanDerWaalsContact C-N 3.27Å; G201-G203 PolarHBondContact O-N 3.12Å; G201-E220 WeakPolarHBondContact CA-OE2 3.49Å; G201-E220 PolarHBondContact N-OE2 3.1Å
202	L	98.8	Very high	98.7	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	7.8	176.6	-54.3	-173.1	0	0	0	113.7	Q155 F156 D159 W160 A200 R204 M225 S228	Q155-L202 VanDerWaalsContact C-CD1 3.48Å; Q155-L202 HydrophobicContact CB-CD1 3.7Å; Q155-L202 HydrophobicContact CB-CG 3.93Å; F156-L202 HydrophobicContact CB-CD1 4.46Å; F156-L202 HydrophobicContact CD1-CD1 4.35Å; F156-L202 HydrophobicContact CD2-CD1 3.93Å; F156-L202 HydrophobicContact CE2-CD1 4.23Å; F156-L202 HydrophobicContact CG-CD1 3.99Å; D159-L202 HydrophobicContact CB-CB 3.89Å; D159-L202 HydrophobicContact CB-CD1 4.44Å; D159-L202 WeakPolarHBondContact OD2-CB 3.34Å; D159-L202 PolarHBondContact OD2-N 2.99Å; W160-L202 PolarHBondContact NE1-O 2.97Å; A200-L202 PolarHBondContact O-N 2.99Å; L202-R204 PolarHBondContact O-N 3.3Å; L202-M225 HydrophobicContact CD2-SD 4.04Å; L202-S228 VanDerWaalsContact CD2-CB 3.49Å
203	G	98.7	Very high	98.7	Very high	0 Å²	0	16 Å²	16	0%	0	10%	0.096	C	C	.	.	S	Bend	trans	85.4	2	168.1	0	0	0	0	0	115.5	A200 G201 L205 A206 W207	A200-G203 WeakPolarHBondContact O-CA 3.31Å; A200-G203 PolarHBondContact O-N 3.44Å; G201-G203 VanDerWaalsContact C-N 3.27Å; G201-G203 PolarHBondContact O-N 3.12Å; G203-L205 PolarHBondContact O-N 3.47Å; G203-A206 PolarHBondContact O-N 2.82Å; G203-W207 WeakPolarHBondContact O-CB 3.31Å; G203-W207 PolarHBondContact O-N 2.81Å
204	R	98.9	Very high	98.7	Very high	9 Å²	9	16.3 Å²	16.3	3%	0.034	10%	0.097	C	C	.	.	H	α-helix	trans	-61	-43.9	-174.2	177.3	61.8	174.7	-99	11.3	113.5	D159 W160 R168 Y172 L202 W207 E208 D268	D159-R204 HydrophobicContact CB-CB 3.67Å; D159-R204 WeakPolarHBondContact O-CB 3.39Å; D159-R204 VanDerWaalsContact O-CD 3.31Å; D159-R204 WeakPolarHBondContact O-CD 3.39Å; D159-R204 WeakPolarHBondContact O-CG 3.34Å; D159-R204 PolarHBondContact O-NH1 3.33Å; W160-R204 HydrophobicContact CZ2-CB 4.27Å; R168-R204 VanDerWaalsContact CZ-NH1 3.25Å; Y172-R204 HydrophobicContact CD2-CG 4.32Å; Y172-R204 HydrophobicContact CE2-CB 4.18Å; Y172-R204 HydrophobicContact CE2-CG 3.98Å; L202-R204 PolarHBondContact O-N 3.3Å; R204-W207 PolarHBondContact O-N 2.75Å; R204-E208 HydrophobicContact CG-CG 4.38Å; R204-E208 IonicContact CZ-OE1 3.23Å; R204-E208 VanDerWaalsContact CZ-OE1 3.28Å; R204-E208 IonicContact NE-OE1 2.73Å; R204-E208 PolarHBondContact NE-OE1 3.24Å; R204-E208 IonicContact NH2-OE1 3.76Å; R204-E208 PolarHBondContact NH2-OE1 3.31Å; R204-E208 VanDerWaalsContact O-CG 3.29Å; R204-E208 WeakPolarHBondContact O-CG 3.4Å; R204-E208 PolarHBondContact O-N 3.37Å; R204-D268 IonicContact CZ-OD1 3.92Å; R204-D268 IonicContact CZ-OD2 3.83Å; R204-D268 IonicContact NH1-OD1 2.73Å; R204-D268 PolarHBondContact NH1-OD1 3.48Å; R204-D268 IonicContact NH1-OD2 3.27Å; R204-D268 PolarHBondContact NH1-OD2 3.3Å; R204-D268 IonicContact NH2-OD2 2.72Å; R204-D268 PolarHBondContact NH2-OD2 3.02Å
205	L	98.9	Very high	98.7	Very high	7 Å²	7	14.1 Å²	14.1	4%	0.037	9%	0.086	C	C	.	.	H	α-helix	trans	-62.8	-45.9	178.9	174.1	61.5	0	0	0	111.2	Y172 I175 I176 V197 G203 W207 E208 I209 C303	Y172-L205 HydrophobicContact CD1-CB 4.13Å; Y172-L205 HydrophobicContact CD1-CD1 4.13Å; Y172-L205 HydrophobicContact CD1-CD2 4.29Å; Y172-L205 HydrophobicContact CD1-CG 4.41Å; Y172-L205 HydrophobicContact CD2-CB 4.31Å; Y172-L205 HydrophobicContact CE1-CB 4.22Å; Y172-L205 HydrophobicContact CE2-CB 4.39Å; Y172-L205 HydrophobicContact CG-CB 4.22Å; Y172-L205 HydrophobicContact CG-CD1 3.99Å; I175-L205 HydrophobicContact CD1-CD2 3.93Å; I175-L205 HydrophobicContact CG2-CD1 4.49Å; I176-L205 HydrophobicContact CD1-CD1 4.21Å; I176-L205 HydrophobicContact CG1-CD1 4.08Å; V197-L205 HydrophobicContact CG1-CD2 4.08Å; V197-L205 HydrophobicContact CG1-CG 4.44Å; G203-L205 PolarHBondContact O-N 3.47Å; L205-W207 VanDerWaalsContact C-N 3.32Å; L205-W207 PolarHBondContact O-N 2.92Å; L205-E208 PolarHBondContact O-N 2.91Å; L205-I209 HydrophobicContact CD1-CD1 4.03Å; L205-I209 HydrophobicContact CD1-CG1 4.39Å; L205-I209 HydrophobicContact CG-CD1 4.02Å; L205-I209 VanDerWaalsContact O-CG1 3.29Å; L205-I209 WeakPolarHBondContact O-CG1 3.33Å; L205-I209 PolarHBondContact O-N 3.44Å; L205-C303 HydrophobicContact CD2-CB 3.85Å
206	A	98.9	Very high	98.7	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.008	9%	0.087	C	C	.	.	H	α-helix	trans	-63.3	-39.5	178	0	0	0	0	0	111.6	V197 G203 I209 A210 C216 F280	V197-A206 HydrophobicContact CB-CB 4.17Å; V197-A206 HydrophobicContact CG2-CB 4Å; G203-A206 PolarHBondContact O-N 2.82Å; A206-I209 PolarHBondContact O-N 3.35Å; A206-A210 PolarHBondContact O-N 2.98Å; A206-C216 PolarHBondContact O-SG 3.23Å; A206-F280 HydrophobicContact CB-CE2 3.65Å; A206-F280 HydrophobicContact CB-CZ 4.35Å
207	W	98.8	Very high	98.7	Very high	7 Å²	7	16 Å²	16	3%	0.027	10%	0.095	C	C	.	.	H	α-helix	trans	-62.4	-47.1	173.6	-179.9	89.6	0	0	0	112.3	W160 G203 R204 L205 I209 A210 M211 V269 P271 F280	W160-W207 HydrophobicContact CH2-CB 4.22Å; W160-W207 HydrophobicContact CH2-CD2 4.07Å; W160-W207 HydrophobicContact CH2-CE3 4.47Å; W160-W207 AromaticContact CH2-CG 3.94Å; W160-W207 HydrophobicContact CH2-CG 3.94Å; G203-W207 WeakPolarHBondContact O-CB 3.31Å; G203-W207 PolarHBondContact O-N 2.81Å; R204-W207 PolarHBondContact O-N 2.75Å; L205-W207 VanDerWaalsContact C-N 3.32Å; L205-W207 PolarHBondContact O-N 2.92Å; W207-I209 PolarHBondContact O-N 3.14Å; W207-A210 PolarHBondContact O-N 3.29Å; W207-A210 VanDerWaalsContact O-N 3.12Å; W207-M211 HydrophobicContact CD2-CG 3.79Å; W207-M211 HydrophobicContact CE3-CG 3.79Å; W207-M211 HydrophobicContact CH2-CE 4.04Å; W207-M211 HydrophobicContact CH2-CG 3.58Å; W207-M211 HydrophobicContact CH2-SD 3.79Å; W207-M211 HydrophobicContact CZ2-CE 4.13Å; W207-M211 HydrophobicContact CZ2-CG 3.58Å; W207-M211 HydrophobicContact CZ2-SD 3.41Å; W207-M211 WeakPolarHBondContact CZ2-SD 3.39Å; W207-M211 HydrophobicContact CZ3-CG 3.68Å; W207-M211 HydrophobicContact CZ3-SD 4.5Å; W207-M211 VanDerWaalsContact O-CG 3.3Å; W207-M211 WeakPolarHBondContact O-CG 3.43Å; W207-M211 PolarHBondContact O-N 3.22Å; W207-V269 HydrophobicContact CH2-CB 4.2Å; W207-V269 HydrophobicContact CH2-CG2 3.66Å; W207-V269 HydrophobicContact CZ2-CG2 4.2Å; W207-V269 HydrophobicContact CZ3-CG2 3.92Å; W207-P271 PolarHBondContact NE1-O 2.91Å; W207-F280 HydrophobicContact CB-CE1 4.11Å; W207-F280 HydrophobicContact CB-CZ 4.14Å
208	E	98.9	Very high	98.7	Very high	57 Å²	57	15.9 Å²	15.9	27%	0.266	10%	0.095	S	C	.	.	H	α-helix	trans	-61.4	-33.1	176.9	-69.3	-80.7	179.2	0	0	111.9	I176 R204 L205	I176-E208 HydrophobicContact CD1-CB 3.8Å; R204-E208 HydrophobicContact CG-CG 4.38Å; R204-E208 IonicContact CZ-OE1 3.23Å; R204-E208 VanDerWaalsContact CZ-OE1 3.28Å; R204-E208 IonicContact NE-OE1 2.73Å; R204-E208 PolarHBondContact NE-OE1 3.24Å; R204-E208 IonicContact NH2-OE1 3.76Å; R204-E208 PolarHBondContact NH2-OE1 3.31Å; R204-E208 VanDerWaalsContact O-CG 3.29Å; R204-E208 WeakPolarHBondContact O-CG 3.4Å; R204-E208 PolarHBondContact O-N 3.37Å; L205-E208 PolarHBondContact O-N 2.91Å
209	I	98.9	Very high	98.7	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.005	10%	0.096	C	C	.	.	H	α-helix	trans	-69.8	-44.4	174.2	-67.4	164.5	0	0	0	110.6	I176 I179 I195 V197 L205 A206 W207 M211 L212 Y214 C216	I176-I209 HydrophobicContact CG1-CG1 4.26Å; I179-I209 HydrophobicContact CD1-CD1 3.52Å; I179-I209 HydrophobicContact CD1-CG1 3.77Å; I179-I209 HydrophobicContact CD1-CG2 4.41Å; I195-I209 HydrophobicContact CB-CG2 4.31Å; I195-I209 HydrophobicContact CD1-CG2 3.76Å; I195-I209 HydrophobicContact CG1-CG2 4.5Å; I195-I209 HydrophobicContact CG2-CD1 4.42Å; I195-I209 HydrophobicContact CG2-CG2 4.29Å; V197-I209 HydrophobicContact CG2-CD1 3.89Å; L205-I209 HydrophobicContact CD1-CD1 4.03Å; L205-I209 HydrophobicContact CD1-CG1 4.39Å; L205-I209 HydrophobicContact CG-CD1 4.02Å; L205-I209 VanDerWaalsContact O-CG1 3.29Å; L205-I209 WeakPolarHBondContact O-CG1 3.33Å; L205-I209 PolarHBondContact O-N 3.44Å; A206-I209 PolarHBondContact O-N 3.35Å; W207-I209 PolarHBondContact O-N 3.14Å; I209-M211 VanDerWaalsContact C-N 3.31Å; I209-M211 PolarHBondContact O-N 2.9Å; I209-L212 WeakPolarHBondContact O-CB 3.42Å; I209-L212 PolarHBondContact O-N 3.44Å; I209-L212 VanDerWaalsContact O-N 3.12Å; I209-Y214 HydrophobicContact CG2-CD2 4Å; I209-Y214 HydrophobicContact CG2-CG 4.31Å; I209-C216 HydrophobicContact CB-CB 4.27Å; I209-C216 HydrophobicContact CG2-CB 3.86Å
210	A	98.7	Very high	98.7	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-65.2	-31.8	176.1	0	0	0	0	0	113.3	A206 W207 L212 G213 C216 L274 S278 F280	A206-A210 PolarHBondContact O-N 2.98Å; W207-A210 PolarHBondContact O-N 3.29Å; W207-A210 VanDerWaalsContact O-N 3.12Å; A210-L212 PolarHBondContact O-N 3.08Å; A210-G213 WeakPolarHBondContact O-CA 3.37Å; A210-G213 PolarHBondContact O-N 3.08Å; A210-C216 HydrophobicContact CB-CB 4.09Å; A210-L274 HydrophobicContact CB-CD2 3.88Å; A210-S278 PolarHBondContact O-OG 3.19Å; A210-F280 HydrophobicContact CB-CB 3.67Å; A210-F280 HydrophobicContact CB-CD2 4.13Å; A210-F280 HydrophobicContact CB-CG 3.99Å
211	M	98.4	Very high	98.5	Very high	55 Å²	55	22.3 Å²	22.3	27%	0.271	11%	0.11	S	C	.	.	H	α-helix	trans	-60.4	-24.9	172.6	-76.5	-65.1	-66.1	0	0	112.8	W207 I209 G213 L274	W207-M211 HydrophobicContact CD2-CG 3.79Å; W207-M211 HydrophobicContact CE3-CG 3.79Å; W207-M211 HydrophobicContact CH2-CE 4.04Å; W207-M211 HydrophobicContact CH2-CG 3.58Å; W207-M211 HydrophobicContact CH2-SD 3.79Å; W207-M211 HydrophobicContact CZ2-CE 4.13Å; W207-M211 HydrophobicContact CZ2-CG 3.58Å; W207-M211 HydrophobicContact CZ2-SD 3.41Å; W207-M211 WeakPolarHBondContact CZ2-SD 3.39Å; W207-M211 HydrophobicContact CZ3-CG 3.68Å; W207-M211 HydrophobicContact CZ3-SD 4.5Å; W207-M211 VanDerWaalsContact O-CG 3.3Å; W207-M211 WeakPolarHBondContact O-CG 3.43Å; W207-M211 PolarHBondContact O-N 3.22Å; I209-M211 VanDerWaalsContact C-N 3.31Å; I209-M211 PolarHBondContact O-N 2.9Å; M211-G213 VanDerWaalsContact C-N 3.26Å; M211-L274 HydrophobicContact CG-CD2 3.93Å; M211-L274 HydrophobicContact SD-CB 4.43Å; M211-L274 HydrophobicContact SD-CD2 3.61Å; M211-L274 HydrophobicContact SD-CG 4.06Å
212	L	98.4	Very high	98.3	Very high	76 Å²	76	22.7 Å²	22.7	40%	0.398	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-0.3	174.9	-62.5	169.5	0	0	0	113	I176 I180 I209 A210 Y214	I176-L212 HydrophobicContact CG2-CD1 3.56Å; I180-L212 HydrophobicContact CD1-CD1 3.89Å; I180-L212 HydrophobicContact CG1-CD1 4.08Å; I209-L212 WeakPolarHBondContact O-CB 3.42Å; I209-L212 PolarHBondContact O-N 3.44Å; I209-L212 VanDerWaalsContact O-N 3.12Å; A210-L212 PolarHBondContact O-N 3.08Å; L212-Y214 HydrophobicContact CB-CD2 3.78Å; L212-Y214 HydrophobicContact CB-CE2 3.81Å; L212-Y214 HydrophobicContact CD1-CE2 4.19Å
213	G	98.1	Very high	98.2	Very high	24 Å²	24	23.2 Å²	23.2	25%	0.247	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.5	3.1	178.7	0	0	0	0	0	114.9	P190 S191 A210 M211	P190-G213 CarbonylContact C-O 3.48Å; P190-G213 VanDerWaalsContact C-O 3.27Å; P190-G213 WeakPolarHBondContact CB-O 3.33Å; S191-G213 WeakPolarHBondContact CA-O 3.33Å; S191-G213 PolarHBondContact N-O 3.2Å; A210-G213 WeakPolarHBondContact O-CA 3.37Å; A210-G213 PolarHBondContact O-N 3.08Å; M211-G213 VanDerWaalsContact C-N 3.26Å
214	Y	98.7	Very high	98.2	Very high	7 Å²	7	23.3 Å²	23.3	3%	0.027	11%	0.114	C	C	.	.			trans	-71.3	148.3	174.7	-62.4	-67	0	0	0	111.6	I179 F183 P190 V193 I195 I209 L212 C216	I179-Y214 HydrophobicContact CG2-CD2 3.98Å; I179-Y214 HydrophobicContact CG2-CE1 4.38Å; I179-Y214 HydrophobicContact CG2-CE2 3.57Å; F183-Y214 HydrophobicContact CB-CE1 3.75Å; F183-Y214 PolarHBondContact O-OH 3.29Å; P190-Y214 HydrophobicContact CB-CD1 3.71Å; P190-Y214 HydrophobicContact CB-CE1 3.87Å; P190-Y214 HydrophobicContact CB-CG 4.36Å; P190-Y214 HydrophobicContact CG-CE1 4.47Å; P190-Y214 WeakPolarHBondContact O-CA 3.4Å; V193-Y214 HydrophobicContact CB-CD1 3.93Å; V193-Y214 HydrophobicContact CB-CE1 4.4Å; V193-Y214 HydrophobicContact CG1-CD1 4.13Å; V193-Y214 HydrophobicContact CG1-CE1 4.46Å; I195-Y214 HydrophobicContact CD1-CD1 4.03Å; I195-Y214 HydrophobicContact CD1-CD2 4.15Å; I195-Y214 HydrophobicContact CD1-CG 3.73Å; I209-Y214 HydrophobicContact CG2-CD2 4Å; I209-Y214 HydrophobicContact CG2-CG 4.31Å; L212-Y214 HydrophobicContact CB-CD2 3.78Å; L212-Y214 HydrophobicContact CB-CE2 3.81Å; L212-Y214 HydrophobicContact CD1-CE2 4.19Å; Y214-C216 PolarHBondContact O-N 3.41Å; Y214-C216 VanDerWaalsContact O-N 3.13Å
215	A	98.7	Very high	98.1	Very high	6 Å²	6	24.3 Å²	24.3	5%	0.05	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	98.5	169.4	0	0	0	0	0	108.9	V193 N194 I195 N279	V193-A215 PolarHBondContact O-N 3.46Å; N194-A215 WeakPolarHBondContact CA-O 3.39Å; I195-A215 PolarHBondContact N-O 2.94Å; A215-N279 HydrophobicContact CB-CB 4.19Å
216	C	98.8	Very high	98.1	Very high	2 Å²	2	24 Å²	24	1%	0.014	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	132.3	-172.1	-162.9	0	0	0	0	111.7	I195 A206 I209 A210 Y214 N279 F280 S281	I195-C216 WeakPolarHBondContact O-CA 3.32Å; A206-C216 PolarHBondContact O-SG 3.23Å; I209-C216 HydrophobicContact CB-CB 4.27Å; I209-C216 HydrophobicContact CG2-CB 3.86Å; A210-C216 HydrophobicContact CB-CB 4.09Å; Y214-C216 PolarHBondContact O-N 3.41Å; Y214-C216 VanDerWaalsContact O-N 3.13Å; C216-N279 PolarHBondContact N-O 3.02Å; C216-F280 WeakPolarHBondContact O-CA 3.48Å; C216-S281 PolarHBondContact O-N 2.7Å
217	Q	98.8	Very high	98	Very high	39 Å²	39	24 Å²	24	18%	0.182	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	127.3	170.8	-174.8	168.6	99	0	0	109.8	I195 L196 V197 S281 T283 Y291 W297	I195-Q217 PolarHBondContact O-N 3.14Å; L196-Q217 CarbonylContact C-O 3.53Å; L196-Q217 WeakPolarHBondContact CA-O 3.39Å; L196-Q217 HydrophobicContact CD1-CB 4.42Å; L196-Q217 HydrophobicContact CD1-CG 4.48Å; V197-Q217 PolarHBondContact N-O 3.28Å; Q217-S281 WeakPolarHBondContact CA-O 3.45Å; Q217-S281 WeakPolarHBondContact CG-OG 3.49Å; Q217-S281 PolarHBondContact NE2-OG 2.94Å; Q217-S281 VanDerWaalsContact NE2-OG 3.13Å; Q217-T283 VanDerWaalsContact CD-OG1 3.31Å; Q217-T283 PolarHBondContact OE1-OG1 3.06Å; Q217-Y291 VanDerWaalsContact OE1-CE1 3.3Å; Q217-Y291 PolarHBondContact OE1-OH 2.98Å; Q217-W297 HydrophobicContact CB-CH2 3.75Å; Q217-W297 HydrophobicContact CB-CZ3 4.19Å; Q217-W297 HydrophobicContact CG-CH2 4.43Å
218	G	98.8	Very high	97.9	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	146	165.6	0	0	0	0	0	110.9	V197 S281 M282 T283	V197-G218 WeakPolarHBondContact O-CA 3.24Å; G218-S281 PolarHBondContact N-O 3.26Å; G218-M282 VanDerWaalsContact CA-SD 3.6Å; G218-M282 CarbonylContact O-C 3.57Å; G218-M282 WeakPolarHBondContact O-CA 3.48Å; G218-T283 PolarHBondContact O-N 2.97Å
219	N	98.7	Very high	97.9	Very high	4 Å²	4	21 Å²	21	2%	0.021	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	137.6	171.2	162.6	-110.3	0	0	0	110.3	L196 V197 G199 A200 T283 G285 F287 Y291	L196-N219 HydrophobicContact CD1-CB 4.27Å; V197-N219 PolarHBondContact O-N 2.99Å; G199-N219 CarbonylContact C-O 3.36Å; G199-N219 WeakPolarHBondContact CA-O 3.24Å; G199-N219 PolarHBondContact N-O 3.47Å; A200-N219 PolarHBondContact N-O 2.98Å; N219-T283 WeakPolarHBondContact CA-O 3.37Å; N219-T283 PolarHBondContact ND2-O 3.45Å; N219-G285 PolarHBondContact ND2-O 3.15Å; N219-F287 WeakPolarHBondContact OD1-CB 3.42Å; N219-Y291 HydrophobicContact CB-CE2 3.64Å; N219-Y291 WeakPolarHBondContact CB-OH 3.25Å
220	E	98.2	Very high	97.8	Very high	22 Å²	22	21.1 Å²	21.1	10%	0.103	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	141.6	177.7	178.6	53.7	-115.2	0	0	110.8	G201 S222 M225 L226 M282 T283 A284 G285	G201-E220 WeakPolarHBondContact CA-OE2 3.49Å; G201-E220 PolarHBondContact N-OE2 3.1Å; E220-S222 WeakPolarHBondContact OE1-CB 3.49Å; E220-S222 PolarHBondContact OE1-N 2.75Å; E220-M225 HydrophobicContact CG-CB 3.55Å; E220-M225 HydrophobicContact CG-CG 4.39Å; E220-L226 HydrophobicContact CB-CD2 3.88Å; E220-L226 HydrophobicContact CB-CG 4.22Å; E220-L226 HydrophobicContact CG-CD2 4.2Å; E220-L226 HydrophobicContact CG-CG 4Å; E220-M282 HydrophobicContact CB-CE 4.2Å; E220-T283 PolarHBondContact N-O 3.5Å; E220-A284 CarbonylContact O-C 3.52Å; E220-A284 VanDerWaalsContact O-CA 3.25Å; E220-A284 WeakPolarHBondContact O-CA 3.4Å; E220-G285 PolarHBondContact O-N 3.12Å
221	W	94.1	Very high	97.7	Very high	145 Å²	145	21.1 Å²	21.1	55%	0.549	11%	0.105	S	C	.	.			trans	-98.9	-35.8	-179.7	174.7	76	0	0	0	112.1	F223	W221-F223 PolarHBondContact O-N 3.24Å
222	S	96.1	Very high	97.7	Very high	15 Å²	15	18.5 Å²	18.5	11%	0.105	9%	0.092	C	C	.	.			trans	-74.4	119.4	-173.1	-171.9	0	0	0	0	112.2	E220 F224 M225 L226	E220-S222 WeakPolarHBondContact OE1-CB 3.49Å; E220-S222 PolarHBondContact OE1-N 2.75Å; S222-F224 PolarHBondContact O-N 3.12Å; S222-F224 VanDerWaalsContact O-N 3.14Å; S222-F224 PolarHBondContact OG-N 2.91Å; S222-M225 PolarHBondContact O-N 3.18Å; S222-L226 WeakPolarHBondContact O-CG 3.3Å; S222-L226 PolarHBondContact O-N 3.03Å
223	F	96.3	Very high	97.6	Very high	11 Å²	11	14.9 Å²	14.9	5%	0.048	7%	0.073	C	C	.	.	H	α-helix	trans	-55.7	-31	170.8	-76.7	-50	0	0	0	113.4	E53 H56 F57 V60 F125 Y130 W221 M225 L226 F227	E53-F223 HydrophobicContact CG-CE2 4.34Å; E53-F223 HydrophobicContact CG-CZ 4.1Å; H56-F223 AromaticContact CD2-CD2 3.51Å; H56-F223 AromaticContact CD2-CE2 3.75Å; F57-F223 HydrophobicContact CB-CD2 4.37Å; F57-F223 HydrophobicContact CB-CE2 3.88Å; F57-F223 HydrophobicContact CB-CZ 4.11Å; F57-F223 HydrophobicContact CD2-CD1 4.12Å; F57-F223 AromaticContact CD2-CE1 3.86Å; F57-F223 HydrophobicContact CD2-CE1 3.86Å; F57-F223 HydrophobicContact CD2-CE2 4.39Å; F57-F223 HydrophobicContact CD2-CZ 4.01Å; V60-F223 HydrophobicContact CB-CB 4.11Å; V60-F223 HydrophobicContact CG1-CB 3.91Å; V60-F223 HydrophobicContact CG2-CB 4.08Å; V60-F223 HydrophobicContact CG2-CD2 4.46Å; F125-F223 HydrophobicContact CE2-CE1 4.04Å; F125-F223 HydrophobicContact CZ-CD1 4.45Å; F125-F223 HydrophobicContact CZ-CE1 4.01Å; Y130-F223 HydrophobicContact CE1-CZ 4.42Å; Y130-F223 AromaticContact CZ-CZ 3.96Å; W221-F223 PolarHBondContact O-N 3.24Å; F223-M225 VanDerWaalsContact C-N 3.31Å; F223-M225 PolarHBondContact O-N 2.98Å; F223-L226 HydrophobicContact CD1-CD1 3.98Å; F223-L226 HydrophobicContact CE1-CD1 4.39Å; F223-L226 PolarHBondContact O-N 3.25Å; F223-F227 HydrophobicContact CB-CE1 3.95Å; F223-F227 HydrophobicContact CB-CE2 4Å; F223-F227 HydrophobicContact CB-CZ 3.67Å; F223-F227 AromaticContact CD1-CE1 3.63Å; F223-F227 HydrophobicContact CD1-CE1 3.63Å; F223-F227 AromaticContact CD1-CZ 3.92Å; F223-F227 HydrophobicContact CD1-CZ 3.92Å; F223-F227 HydrophobicContact CE1-CE1 4.49Å; F223-F227 HydrophobicContact CG-CE1 4.06Å; F223-F227 AromaticContact CG-CZ 3.9Å; F223-F227 HydrophobicContact CG-CZ 3.9Å; F223-F227 WeakPolarHBondContact O-CB 3.36Å; F223-F227 WeakPolarHBondContact O-CD1 3.36Å; F223-F227 WeakPolarHBondContact O-CD2 3.35Å; F223-F227 WeakPolarHBondContact O-CG 3.17Å; F223-F227 PolarHBondContact O-N 3.33Å
224	F	97.8	Very high	97.5	Very high	2 Å²	2	14.3 Å²	14.3	1%	0.009	6%	0.064	C	C	.	.	H	α-helix	trans	-60.1	-42.2	174.9	-65.9	-93.2	0	0	0	112.2	V60 A63 F64 D145 K148 L149 T152 S222 S228	V60-F224 HydrophobicContact CB-CE2 4.43Å; V60-F224 HydrophobicContact CB-CZ 4.49Å; V60-F224 HydrophobicContact CG1-CD1 4.04Å; V60-F224 HydrophobicContact CG1-CD2 3.93Å; V60-F224 HydrophobicContact CG1-CE1 3.98Å; V60-F224 HydrophobicContact CG1-CE2 3.89Å; V60-F224 HydrophobicContact CG1-CG 4Å; V60-F224 HydrophobicContact CG1-CZ 3.9Å; V60-F224 HydrophobicContact CG2-CD2 4.25Å; V60-F224 HydrophobicContact CG2-CE2 3.73Å; V60-F224 HydrophobicContact CG2-CZ 4.13Å; A63-F224 HydrophobicContact CB-CE1 4.18Å; A63-F224 HydrophobicContact CB-CZ 4.24Å; F64-F224 HydrophobicContact CD2-CD1 4.16Å; F64-F224 HydrophobicContact CD2-CE1 4.28Å; F64-F224 HydrophobicContact CE2-CB 4.31Å; F64-F224 AromaticContact CE2-CD1 3.37Å; F64-F224 HydrophobicContact CE2-CD1 3.37Å; F64-F224 AromaticContact CE2-CE1 3.92Å; F64-F224 HydrophobicContact CE2-CE1 3.92Å; F64-F224 HydrophobicContact CE2-CG 4.06Å; F64-F224 HydrophobicContact CZ-CB 4.43Å; F64-F224 HydrophobicContact CZ-CD1 4.06Å; D145-F224 HydrophobicContact CB-CZ 4.05Å; K148-F224 HydrophobicContact CB-CD1 4.38Å; K148-F224 HydrophobicContact CB-CD2 4.19Å; K148-F224 HydrophobicContact CB-CE1 4.24Å; K148-F224 HydrophobicContact CB-CE2 4.03Å; K148-F224 HydrophobicContact CB-CG 4.37Å; K148-F224 HydrophobicContact CB-CZ 4.06Å; K148-F224 HydrophobicContact CD-CD2 4.1Å; K148-F224 HydrophobicContact CD-CE2 3.84Å; L149-F224 HydrophobicContact CB-CD1 4.21Å; L149-F224 HydrophobicContact CB-CE1 4Å; L149-F224 HydrophobicContact CD1-CE1 4.3Å; L149-F224 HydrophobicContact CG-CD1 4.49Å; L149-F224 HydrophobicContact CG-CE1 4.48Å; T152-F224 WeakPolarHBondContact OG1-CB 3.29Å; S222-F224 PolarHBondContact O-N 3.12Å; S222-F224 VanDerWaalsContact O-N 3.14Å; S222-F224 PolarHBondContact OG-N 2.91Å; F224-S228 WeakPolarHBondContact O-CB 3.46Å; F224-S228 PolarHBondContact O-N 3.29Å; F224-S228 PolarHBondContact O-OG 3.45Å
225	M	98.3	Very high	97.3	Very high	30 Å²	30	19.4 Å²	19.4	15%	0.148	8%	0.084	C	C	.	.	H	α-helix	trans	-76.8	-42.5	178.4	-61.4	-55.1	-178.2	0	0	111	T152 Q155 L202 E220 S222 F223 S228 S229	T152-M225 HydrophobicContact CG2-SD 4.46Å; Q155-M225 HydrophobicContact CG-CE 3.82Å; Q155-M225 HydrophobicContact CG-SD 4.13Å; L202-M225 HydrophobicContact CD2-SD 4.04Å; E220-M225 HydrophobicContact CG-CB 3.55Å; E220-M225 HydrophobicContact CG-CG 4.39Å; S222-M225 PolarHBondContact O-N 3.18Å; F223-M225 VanDerWaalsContact C-N 3.31Å; F223-M225 PolarHBondContact O-N 2.98Å; M225-S228 PolarHBondContact O-N 3.45Å; M225-S229 VanDerWaalsContact O-CB 3.28Å; M225-S229 WeakPolarHBondContact O-CB 3.25Å; M225-S229 PolarHBondContact O-N 3.38Å; M225-S229 PolarHBondContact O-OG 3.01Å; M225-S229 VanDerWaalsContact O-OG 3.07Å
226	L	97.3	Very high	97.2	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.005	8%	0.081	C	C	.	.	H	α-helix	trans	-60.1	-47.5	178.7	-70.4	163.8	0	0	0	112.6	F27 F125 E220 S222 F223 S228 S229 N230 A284	F27-L226 HydrophobicContact CD1-CD2 4.3Å; F27-L226 HydrophobicContact CE1-CD2 4.21Å; F125-L226 HydrophobicContact CZ-CD1 4.37Å; E220-L226 HydrophobicContact CB-CD2 3.88Å; E220-L226 HydrophobicContact CB-CG 4.22Å; E220-L226 HydrophobicContact CG-CD2 4.2Å; E220-L226 HydrophobicContact CG-CG 4Å; S222-L226 WeakPolarHBondContact O-CG 3.3Å; S222-L226 PolarHBondContact O-N 3.03Å; F223-L226 HydrophobicContact CD1-CD1 3.98Å; F223-L226 HydrophobicContact CE1-CD1 4.39Å; F223-L226 PolarHBondContact O-N 3.25Å; L226-S228 VanDerWaalsContact C-N 3.29Å; L226-S228 PolarHBondContact O-N 3.08Å; L226-S229 PolarHBondContact O-N 3.27Å; L226-S229 PolarHBondContact O-OG 2.83Å; L226-S229 VanDerWaalsContact O-OG 3.12Å; L226-N230 WeakPolarHBondContact O-CB 3.25Å; L226-N230 PolarHBondContact O-N 2.84Å; L226-A284 HydrophobicContact CD1-CB 3.44Å; L226-A284 VanDerWaalsContact CD1-CB 3.44Å; L226-A284 HydrophobicContact CD2-CB 3.77Å; L226-A284 HydrophobicContact CG-CB 4.25Å
227	F	96.6	Very high	96.9	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-61.4	-43.9	178.4	-59.7	-14.3	0	0	0	110.8	F57 V60 I61 F64 I117 C121 M124 F223 F231	F57-F227 AromaticContact CD2-CE1 3.86Å; F57-F227 HydrophobicContact CD2-CE1 3.86Å; F57-F227 AromaticContact CD2-CZ 3.62Å; F57-F227 HydrophobicContact CD2-CZ 3.62Å; F57-F227 AromaticContact CE2-CE1 3.44Å; F57-F227 HydrophobicContact CE2-CE1 3.44Å; F57-F227 VanDerWaalsContact CE2-CE1 3.44Å; F57-F227 AromaticContact CE2-CZ 3.46Å; F57-F227 HydrophobicContact CE2-CZ 3.46Å; F57-F227 VanDerWaalsContact CE2-CZ 3.46Å; F57-F227 HydrophobicContact CG-CZ 4.36Å; F57-F227 HydrophobicContact CZ-CE1 4.24Å; F57-F227 HydrophobicContact CZ-CZ 4.06Å; V60-F227 HydrophobicContact CB-CE2 4.13Å; V60-F227 HydrophobicContact CG1-CD2 4.11Å; V60-F227 HydrophobicContact CG1-CE2 3.64Å; I61-F227 HydrophobicContact CD1-CD2 4.12Å; I61-F227 HydrophobicContact CD1-CE2 3.48Å; I61-F227 VanDerWaalsContact CD1-CE2 3.48Å; I61-F227 HydrophobicContact CD1-CZ 3.86Å; I61-F227 HydrophobicContact CG1-CE2 4.06Å; I61-F227 HydrophobicContact CG1-CZ 4.31Å; F64-F227 HydrophobicContact CD2-CD2 4.47Å; F64-F227 HydrophobicContact CE2-CD2 4.01Å; F64-F227 HydrophobicContact CZ-CB 4.41Å; F64-F227 HydrophobicContact CZ-CD2 4.2Å; I117-F227 HydrophobicContact CG2-CB 3.68Å; C121-F227 HydrophobicContact CB-CB 4.29Å; C121-F227 HydrophobicContact CB-CD1 3.86Å; C121-F227 HydrophobicContact CB-CE1 4.4Å; C121-F227 HydrophobicContact CB-CG 4.08Å; M124-F227 HydrophobicContact CE-CD1 3.46Å; M124-F227 VanDerWaalsContact CE-CD1 3.46Å; M124-F227 HydrophobicContact CE-CE1 3.71Å; M124-F227 HydrophobicContact SD-CD1 4.26Å; F223-F227 HydrophobicContact CB-CE1 3.95Å; F223-F227 HydrophobicContact CB-CE2 4Å; F223-F227 HydrophobicContact CB-CZ 3.67Å; F223-F227 AromaticContact CD1-CE1 3.63Å; F223-F227 HydrophobicContact CD1-CE1 3.63Å; F223-F227 AromaticContact CD1-CZ 3.92Å; F223-F227 HydrophobicContact CD1-CZ 3.92Å; F223-F227 HydrophobicContact CE1-CE1 4.49Å; F223-F227 HydrophobicContact CG-CE1 4.06Å; F223-F227 AromaticContact CG-CZ 3.9Å; F223-F227 HydrophobicContact CG-CZ 3.9Å; F223-F227 WeakPolarHBondContact O-CB 3.36Å; F223-F227 WeakPolarHBondContact O-CD1 3.36Å; F223-F227 WeakPolarHBondContact O-CD2 3.35Å; F223-F227 WeakPolarHBondContact O-CG 3.17Å; F223-F227 PolarHBondContact O-N 3.33Å; F227-F231 WeakPolarHBondContact O-CB 3.47Å; F227-F231 PolarHBondContact O-N 3.42Å; F227-F231 VanDerWaalsContact O-N 3.1Å
228	S	98.3	Very high	96.8	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-70.4	-40	-178.1	-58.3	0	0	0	0	112.5	T152 L202 F224 M225 L226 F231 V232	T152-S228 WeakPolarHBondContact CG2-OG 3.19Å; L202-S228 VanDerWaalsContact CD2-CB 3.49Å; F224-S228 WeakPolarHBondContact O-CB 3.46Å; F224-S228 PolarHBondContact O-N 3.29Å; F224-S228 PolarHBondContact O-OG 3.45Å; M225-S228 PolarHBondContact O-N 3.45Å; L226-S228 VanDerWaalsContact C-N 3.29Å; L226-S228 PolarHBondContact O-N 3.08Å; S228-F231 PolarHBondContact O-N 3.01Å; S228-V232 WeakPolarHBondContact O-CG2 3.35Å; S228-V232 PolarHBondContact O-N 2.88Å
229	S	98	Very high	96.8	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-70.1	-41.7	179.4	65.8	0	0	0	0	111.3	F27 M225 L226 F231 V232 L233	F27-S229 WeakPolarHBondContact CE1-OG 3.46Å; F27-S229 WeakPolarHBondContact CZ-OG 3.35Å; M225-S229 VanDerWaalsContact O-CB 3.28Å; M225-S229 WeakPolarHBondContact O-CB 3.25Å; M225-S229 PolarHBondContact O-N 3.38Å; M225-S229 PolarHBondContact O-OG 3.01Å; M225-S229 VanDerWaalsContact O-OG 3.07Å; L226-S229 PolarHBondContact O-N 3.27Å; L226-S229 PolarHBondContact O-OG 2.83Å; L226-S229 VanDerWaalsContact O-OG 3.12Å; S229-F231 PolarHBondContact O-N 3.48Å; S229-V232 PolarHBondContact O-N 3.28Å; S229-L233 VanDerWaalsContact O-CB 3.26Å; S229-L233 WeakPolarHBondContact O-CB 3.36Å; S229-L233 VanDerWaalsContact O-CG 3.26Å; S229-L233 WeakPolarHBondContact O-CG 3.41Å; S229-L233 PolarHBondContact O-N 3.18Å
230	N	96.6	Very high	96.8	Very high	5 Å²	5	33.6 Å²	33.6	3%	0.027	16%	0.162	C	C	.	.	H	α-helix	trans	-59.4	-45.4	172.5	174.3	65.9	0	0	0	111.9	F27 M124 L226 V232 L233 N234	F27-N230 HydrophobicContact CD1-CB 4.38Å; F27-N230 HydrophobicContact CD2-CB 4.26Å; F27-N230 HydrophobicContact CE1-CB 4.06Å; F27-N230 HydrophobicContact CE2-CB 3.96Å; F27-N230 HydrophobicContact CG-CB 4.47Å; F27-N230 HydrophobicContact CZ-CB 3.84Å; M124-N230 HydrophobicContact CG-CB 3.77Å; M124-N230 WeakPolarHBondContact CG-ND2 3.46Å; M124-N230 HydrophobicContact SD-CB 3.25Å; M124-N230 WeakPolarHBondContact SD-CB 3.41Å; M124-N230 VanDerWaalsContact SD-CG 3.52Å; L226-N230 WeakPolarHBondContact O-CB 3.25Å; L226-N230 PolarHBondContact O-N 2.84Å; N230-V232 PolarHBondContact O-N 3.44Å; N230-L233 PolarHBondContact O-N 3.45Å; N230-N234 VanDerWaalsContact O-CB 3.32Å; N230-N234 WeakPolarHBondContact O-CB 3.21Å; N230-N234 PolarHBondContact O-N 2.72Å; N230-N234 PolarHBondContact OD1-ND2 2.88Å
231	F	96.8	Very high	96.8	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-57.7	-46.9	175.5	171.9	-109.3	0	0	0	112.1	T116 I117 D120 F156 F227 S228 S229 R235 C236 Y242 F266	T116-F231 HydrophobicContact CG2-CD2 4.43Å; T116-F231 HydrophobicContact CG2-CE2 3.66Å; T116-F231 HydrophobicContact CG2-CZ 4.23Å; I117-F231 HydrophobicContact CB-CB 4.46Å; I117-F231 HydrophobicContact CD1-CD1 4.2Å; I117-F231 HydrophobicContact CG1-CB 3.86Å; I117-F231 HydrophobicContact CG1-CD1 3.61Å; I117-F231 HydrophobicContact CG1-CD2 4.25Å; I117-F231 HydrophobicContact CG1-CE1 4.2Å; I117-F231 HydrophobicContact CG1-CG 3.62Å; I117-F231 HydrophobicContact CG2-CB 4.44Å; D120-F231 WeakPolarHBondContact OD2-CD2 3.28Å; F156-F231 HydrophobicContact CE1-CD1 4.46Å; F227-F231 WeakPolarHBondContact O-CB 3.47Å; F227-F231 PolarHBondContact O-N 3.42Å; F227-F231 VanDerWaalsContact O-N 3.1Å; S228-F231 PolarHBondContact O-N 3.01Å; S229-F231 PolarHBondContact O-N 3.48Å; F231-R235 HydrophobicContact CD2-CB 3.95Å; F231-R235 HydrophobicContact CD2-CG 4.4Å; F231-R235 HydrophobicContact CE2-CB 4.22Å; F231-R235 WeakPolarHBondContact O-CA 3.48Å; F231-R235 VanDerWaalsContact O-CB 3.27Å; F231-R235 WeakPolarHBondContact O-CB 3.21Å; F231-R235 PolarHBondContact O-N 3.49Å; F231-C236 PolarHBondContact O-N 2.98Å; F231-C236 PolarHBondContact O-SG 3.01Å; F231-C236 VanDerWaalsContact O-SG 3.39Å; F231-Y242 HydrophobicContact CE1-CD2 4.45Å; F231-Y242 HydrophobicContact CE1-CE2 4.46Å; F231-Y242 HydrophobicContact CZ-CD1 4.21Å; F231-Y242 HydrophobicContact CZ-CD2 4.16Å; F231-Y242 AromaticContact CZ-CE1 3.87Å; F231-Y242 HydrophobicContact CZ-CE1 3.87Å; F231-Y242 AromaticContact CZ-CE2 3.81Å; F231-Y242 HydrophobicContact CZ-CE2 3.81Å; F231-Y242 HydrophobicContact CZ-CG 4.34Å; F231-Y242 AromaticContact CZ-CZ 3.65Å; F231-F266 HydrophobicContact CD1-CE2 4.48Å; F231-F266 AromaticContact CE1-CE2 3.87Å; F231-F266 HydrophobicContact CE1-CE2 3.87Å; F231-F266 HydrophobicContact CE1-CZ 4.12Å
232	V	98.1	Very high	97	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-66.4	-51.5	179.3	177.7	0	0	0	0	111.4	F156 W160 S228 S229 N230 N234 C236 F266 P267 P271	F156-V232 HydrophobicContact CD1-CG2 4.01Å; F156-V232 HydrophobicContact CE1-CG2 3.39Å; F156-V232 HydrophobicContact CZ-CG2 4.24Å; W160-V232 HydrophobicContact CB-CG1 4.41Å; W160-V232 HydrophobicContact CD2-CG1 3.48Å; W160-V232 VanDerWaalsContact CD2-CG1 3.48Å; W160-V232 HydrophobicContact CE3-CG1 3.99Å; W160-V232 HydrophobicContact CG-CG1 3.66Å; W160-V232 HydrophobicContact CG-CG2 4.47Å; W160-V232 HydrophobicContact CZ2-CG1 4.09Å; W160-V232 HydrophobicContact CZ3-CG1 4.47Å; S228-V232 WeakPolarHBondContact O-CG2 3.35Å; S228-V232 PolarHBondContact O-N 2.88Å; S229-V232 PolarHBondContact O-N 3.28Å; N230-V232 PolarHBondContact O-N 3.44Å; V232-N234 PolarHBondContact O-N 3.07Å; V232-C236 VanDerWaalsContact O-CB 3.31Å; V232-C236 WeakPolarHBondContact O-CB 3.36Å; V232-C236 PolarHBondContact O-N 2.86Å; V232-F266 HydrophobicContact CG2-CD2 4.32Å; V232-F266 HydrophobicContact CG2-CE2 4.25Å; V232-P267 HydrophobicContact CG1-CB 4.36Å; V232-P271 HydrophobicContact CG1-CG 4.15Å
233	L	97.5	Very high	97.1	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-70.6	-30.4	-170.8	-69	172.1	0	0	0	113.5	V25 F27 W160 S229 N230 P271 H272 F280 M282	V25-L233 HydrophobicContact CB-CB 4.27Å; V25-L233 HydrophobicContact CG1-CD1 4.37Å; V25-L233 HydrophobicContact CG2-CB 4.06Å; F27-L233 HydrophobicContact CE2-CD1 4.21Å; F27-L233 HydrophobicContact CZ-CD1 4.04Å; W160-L233 HydrophobicContact CH2-CD2 3.72Å; W160-L233 HydrophobicContact CZ2-CD2 3.51Å; W160-L233 HydrophobicContact CZ2-CG 4.34Å; S229-L233 VanDerWaalsContact O-CB 3.26Å; S229-L233 WeakPolarHBondContact O-CB 3.36Å; S229-L233 VanDerWaalsContact O-CG 3.26Å; S229-L233 WeakPolarHBondContact O-CG 3.41Å; S229-L233 PolarHBondContact O-N 3.18Å; N230-L233 PolarHBondContact O-N 3.45Å; L233-P271 HydrophobicContact CD2-CB 4.16Å; L233-H272 PolarHBondContact O-NE2 2.95Å; L233-F280 HydrophobicContact CD1-CE1 3.77Å; L233-F280 HydrophobicContact CD1-CZ 3.87Å; L233-F280 HydrophobicContact CD2-CE1 3.8Å; L233-F280 HydrophobicContact CD2-CZ 4.4Å; L233-F280 HydrophobicContact CG-CE1 4.36Å; L233-M282 HydrophobicContact CD1-CG 4.16Å
234	N	95.5	Very high	97.2	Very high	12 Å²	12	34 Å²	34	6%	0.064	17%	0.165	C	C	.	.	H	α-helix	trans	-116	-11.5	-171.2	-64.1	-29.8	0	0	0	114.6	E24 V25 N230 V232	E24-N234 HydrophobicContact CG-CB 4.47Å; V25-N234 WeakPolarHBondContact CA-OD1 3.42Å; V25-N234 VanDerWaalsContact CB-OD1 3.31Å; V25-N234 WeakPolarHBondContact CB-OD1 3.42Å; V25-N234 PolarHBondContact N-OD1 3.43Å; V25-N234 PolarHBondContact O-ND2 3.09Å; V25-N234 PolarHBondContact O-OD1 3.27Å; N230-N234 VanDerWaalsContact O-CB 3.32Å; N230-N234 WeakPolarHBondContact O-CB 3.21Å; N230-N234 PolarHBondContact O-N 2.72Å; N230-N234 PolarHBondContact OD1-ND2 2.88Å; V232-N234 PolarHBondContact O-N 3.07Å
235	R	94.8	Very high	97.3	Very high	114 Å²	114	35.9 Å²	35.9	43%	0.43	17%	0.172	S	C	.	.	H	α-helix	trans	-125.6	-14	-176.3	-53.5	-68.4	179.2	-130.8	-1.8	113.9	E24 D120 F231	E24-R235 IonicContact OE1-NH1 3.99Å; E24-R235 IonicContact OE1-NH2 2.89Å; D120-R235 HydrophobicContact CB-CG 4.27Å; F231-R235 HydrophobicContact CD2-CB 3.95Å; F231-R235 HydrophobicContact CD2-CG 4.4Å; F231-R235 HydrophobicContact CE2-CB 4.22Å; F231-R235 WeakPolarHBondContact O-CA 3.48Å; F231-R235 VanDerWaalsContact O-CB 3.27Å; F231-R235 WeakPolarHBondContact O-CB 3.21Å; F231-R235 PolarHBondContact O-N 3.49Å
236	C	95.4	Very high	97.3	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.165	C	C	.	.			trans	-101.8	96.7	177.6	-57.3	0	0	0	0	110.5	F231 V232 Y242 P267 P271	F231-C236 PolarHBondContact O-N 2.98Å; F231-C236 PolarHBondContact O-SG 3.01Å; F231-C236 VanDerWaalsContact O-SG 3.39Å; V232-C236 VanDerWaalsContact O-CB 3.31Å; V232-C236 WeakPolarHBondContact O-CB 3.36Å; V232-C236 PolarHBondContact O-N 2.86Å; C236-Y242 HydrophobicContact CB-CD2 4.37Å; C236-Y242 HydrophobicContact CB-CE2 4.1Å; C236-Y242 VanDerWaalsContact SG-CD2 3.56Å; C236-Y242 WeakPolarHBondContact SG-CE2 3.37Å; C236-P267 HydrophobicContact CB-CG 3.79Å; C236-P271 WeakPolarHBondContact O-CD 3.46Å
237	S	92.6	Very high	97.4	Very high	79 Å²	79	34.4 Å²	34.4	55%	0.552	17%	0.165	S	C	*	.			trans	-108.2	1	178.2	54.5	0	0	0	0	114.5
238	E	97.6	Very high	97.5	Very high	107 Å²	107	34.6 Å²	34.6	50%	0.5	17%	0.166	S	C	.	.	S	Bend	trans	-119.9	124.2	179.2	179.5	-175.4	-177.7	0	0	109.7	N240 K241	E238-N240 PolarHBondContact O-N 3.49Å; E238-K241 HydrophobicContact CB-CB 3.96Å; E238-K241 HydrophobicContact CB-CD 4.13Å; E238-K241 HydrophobicContact CB-CG 4.4Å; E238-K241 HydrophobicContact CG-CB 4.1Å; E238-K241 VanDerWaalsContact O-CB 3.28Å; E238-K241 WeakPolarHBondContact O-CB 3.48Å; E238-K241 PolarHBondContact O-N 2.79Å; E238-K241 IonicContact OE2-NZ 2.79Å; E238-K241 PolarHBondContact OE2-NZ 3.4Å
239	I	98.6	Very high	97.5	Very high	90 Å²	90	36.4 Å²	36.4	46%	0.462	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	132.1	-178.3	-65.3	176	0	0	0	110.2	K241 P267 D270	I239-K241 PolarHBondContact O-N 2.98Å; I239-K241 VanDerWaalsContact O-N 3.13Å; I239-P267 CarbonylContact C-O 3.27Å; I239-P267 WeakPolarHBondContact CA-O 3.37Å; I239-D270 HydrophobicContact CG1-CB 4.35Å
240	N	98.5	Very high	97.5	Very high	73 Å²	73	38.4 Å²	38.4	39%	0.39	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	21.1	179	-64.9	-45.8	0	0	0	114.8	E238 Y242 F265 P267	E238-N240 PolarHBondContact O-N 3.49Å; N240-Y242 VanDerWaalsContact C-N 3.31Å; N240-Y242 PolarHBondContact O-N 3.44Å; N240-F265 HydrophobicContact CB-CB 3.89Å; N240-F265 WeakPolarHBondContact OD1-CB 3.47Å; N240-P267 PolarHBondContact N-O 3.31Å
241	K	98.3	Very high	97.6	Very high	111 Å²	111	41 Å²	41	48%	0.483	19%	0.194	S	C	.	.			trans	-60.4	-41	178.4	-175.7	-173.6	-167.3	68.2	0	112.5	E238 I239 F266	E238-K241 HydrophobicContact CB-CB 3.96Å; E238-K241 HydrophobicContact CB-CD 4.13Å; E238-K241 HydrophobicContact CB-CG 4.4Å; E238-K241 HydrophobicContact CG-CB 4.1Å; E238-K241 VanDerWaalsContact O-CB 3.28Å; E238-K241 WeakPolarHBondContact O-CB 3.48Å; E238-K241 PolarHBondContact O-N 2.79Å; E238-K241 IonicContact OE2-NZ 2.79Å; E238-K241 PolarHBondContact OE2-NZ 3.4Å; I239-K241 PolarHBondContact O-N 2.98Å; I239-K241 VanDerWaalsContact O-N 3.13Å; K241-F266 PolarHBondContact N-O 3.14Å
242	Y	98.5	Very high	97.7	Very high	45 Å²	45	44.9 Å²	44.9	18%	0.176	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	155.1	-174.9	-61.3	-78.2	0	0	0	111.3	I113 F231 C236 N240 F265 F266	I113-Y242 HydrophobicContact CD1-CD1 3.83Å; F231-Y242 HydrophobicContact CE1-CD2 4.45Å; F231-Y242 HydrophobicContact CE1-CE2 4.46Å; F231-Y242 HydrophobicContact CZ-CD1 4.21Å; F231-Y242 HydrophobicContact CZ-CD2 4.16Å; F231-Y242 AromaticContact CZ-CE1 3.87Å; F231-Y242 HydrophobicContact CZ-CE1 3.87Å; F231-Y242 AromaticContact CZ-CE2 3.81Å; F231-Y242 HydrophobicContact CZ-CE2 3.81Å; F231-Y242 HydrophobicContact CZ-CG 4.34Å; F231-Y242 AromaticContact CZ-CZ 3.65Å; C236-Y242 HydrophobicContact CB-CD2 4.37Å; C236-Y242 HydrophobicContact CB-CE2 4.1Å; C236-Y242 VanDerWaalsContact SG-CD2 3.56Å; C236-Y242 WeakPolarHBondContact SG-CE2 3.37Å; N240-Y242 VanDerWaalsContact C-N 3.31Å; N240-Y242 PolarHBondContact O-N 3.44Å; Y242-F265 CarbonylContact O-C 3.55Å; Y242-F265 VanDerWaalsContact O-CA 3.28Å; Y242-F265 WeakPolarHBondContact O-CA 3.33Å; Y242-F266 VanDerWaalsContact CB-CE1 3.41Å; Y242-F266 HydrophobicContact CD2-CE2 4.29Å; Y242-F266 HydrophobicContact CG-CE2 4.31Å; Y242-F266 HydrophobicContact CG-CZ 4.1Å; Y242-F266 PolarHBondContact N-O 3.09Å; Y242-F266 PolarHBondContact O-N 3.09Å
243	Q	98.3	Very high	97.7	Very high	46 Å²	46	48 Å²	48	22%	0.215	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	144.3	-178.4	149.4	176.7	-0.8	0	0	109.2	H109 Y245 P263 I264 F265	H109-Q243 PolarHBondContact CD2-O 2.94Å; H109-Q243 PolarHBondContact NE2-O 3.15Å; Q243-Y245 HydrophobicContact CG-CE2 4.38Å; Q243-Y245 PolarHBondContact NE2-OH 3.29Å; Q243-P263 HydrophobicContact CG-CB 3.86Å; Q243-I264 VanDerWaalsContact CA-O 3.25Å; Q243-I264 WeakPolarHBondContact CA-O 3.49Å; Q243-F265 HydrophobicContact CB-CD1 3.98Å; Q243-F265 HydrophobicContact CB-CE1 3.97Å
244	L	98.1	Very high	97.7	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	162.2	173.3	-81.9	170	0	0	0	111	N110 I113 L153 F156 P246 P263 I264 F266	N110-L244 HydrophobicContact CB-CD2 4.29Å; N110-L244 VanDerWaalsContact OD1-CD2 3.28Å; N110-L244 WeakPolarHBondContact OD1-CD2 3.42Å; I113-L244 HydrophobicContact CB-CD2 3.72Å; I113-L244 HydrophobicContact CG1-CD2 3.8Å; I113-L244 HydrophobicContact CG1-CG 4.39Å; I113-L244 HydrophobicContact CG2-CD1 4.29Å; I113-L244 HydrophobicContact CG2-CD2 3.76Å; I113-L244 HydrophobicContact CG2-CG 4.17Å; L153-L244 HydrophobicContact CD2-CD1 4.03Å; L153-L244 HydrophobicContact CD2-CD2 3.88Å; F156-L244 HydrophobicContact CB-CD1 4.15Å; F156-L244 HydrophobicContact CD1-CD1 4.16Å; F156-L244 HydrophobicContact CD2-CD1 3.97Å; F156-L244 HydrophobicContact CE2-CD1 4.42Å; F156-L244 HydrophobicContact CG-CD1 3.84Å; L244-P246 WeakPolarHBondContact O-CD 3.44Å; L244-P263 CarbonylContact O-C 3.56Å; L244-P263 WeakPolarHBondContact O-CA 3.28Å; L244-I264 HydrophobicContact CB-CD1 4.16Å; L244-I264 HydrophobicContact CB-CG1 4.32Å; L244-I264 PolarHBondContact N-O 2.7Å; L244-I264 PolarHBondContact O-N 3.09Å; L244-F266 HydrophobicContact CB-CE1 4.33Å; L244-F266 HydrophobicContact CD1-CD1 4.35Å; L244-F266 HydrophobicContact CD1-CE1 3.57Å; L244-F266 HydrophobicContact CD1-CZ 3.95Å; L244-F266 HydrophobicContact CG-CE1 3.69Å; L244-F266 HydrophobicContact CG-CZ 4.34Å
245	Y	98.9	Very high	97.9	Very high	40 Å²	40	57.2 Å²	57.2	16%	0.157	28%	0.275	C	S	.	.			trans	-120.1	76.2	177.7	-61.1	-85.1	0	0	0	110.9	C106 H109 N110 Q243 W247 I248 I261 P263	C106-Y245 HydrophobicContact CB-CD1 4.06Å; C106-Y245 HydrophobicContact CB-CD2 3.71Å; C106-Y245 HydrophobicContact CB-CE1 4.46Å; C106-Y245 HydrophobicContact CB-CE2 4.15Å; C106-Y245 HydrophobicContact CB-CG 3.63Å; C106-Y245 VanDerWaalsContact SG-CD1 3.6Å; C106-Y245 VanDerWaalsContact SG-CE1 3.59Å; H109-Y245 HydrophobicContact CB-CD2 4.22Å; H109-Y245 HydrophobicContact CB-CE2 3.86Å; H109-Y245 AromaticContact CD2-CD2 3.92Å; H109-Y245 AromaticContact CD2-CE2 3.76Å; H109-Y245 AromaticContact CG-CE2 3.72Å; N110-Y245 PolarHBondContact ND2-O 2.89Å; N110-Y245 PolarHBondContact OD1-N 2.73Å; Q243-Y245 HydrophobicContact CG-CE2 4.38Å; Q243-Y245 PolarHBondContact NE2-OH 3.29Å; Y245-W247 PolarHBondContact O-N 3.14Å; Y245-I248 WeakPolarHBondContact O-CG1 3.35Å; Y245-I261 WeakPolarHBondContact CD1-O 3.49Å; Y245-I261 WeakPolarHBondContact CE1-O 3.46Å; Y245-P263 HydrophobicContact CD1-CB 4.14Å; Y245-P263 HydrophobicContact CE1-CB 3.82Å; Y245-P263 HydrophobicContact CE1-CG 4.45Å
246	P	98.7	Very high	98.1	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-14.8	-171.9	29.1	-36.6	0	0	0	113.8	K154 V157 L244 H249 I264	K154-P246 HydrophobicContact CG-CB 4.15Å; V157-P246 HydrophobicContact CG2-CB 4.01Å; V157-P246 HydrophobicContact CG2-CG 3.54Å; L244-P246 WeakPolarHBondContact O-CD 3.44Å; P246-H249 PolarHBondContact O-CE1 2.91Å; P246-H249 PolarHBondContact O-ND1 3.04Å; P246-I264 HydrophobicContact CG-CG1 3.96Å; P246-I264 HydrophobicContact CG-CG2 4.23Å
247	W	98.8	Very high	98.2	Very high	1 Å²	1	64.2 Å²	64.2	0%	0.004	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-10.5	-171.5	-42	114.8	0	0	0	114.4	K154 V157 Y245 H249 Q250 Q260 I264 V379 N380	K154-W247 HydrophobicContact CG-CZ3 4.43Å; V157-W247 HydrophobicContact CB-CH2 4.44Å; V157-W247 HydrophobicContact CB-CZ2 4.49Å; V157-W247 HydrophobicContact CG1-CH2 4.13Å; V157-W247 HydrophobicContact CG1-CZ2 3.98Å; V157-W247 HydrophobicContact CG2-CH2 3.96Å; V157-W247 HydrophobicContact CG2-CZ2 3.82Å; Y245-W247 PolarHBondContact O-N 3.14Å; W247-H249 PolarHBondContact O-N 2.8Å; W247-Q250 WeakPolarHBondContact O-CB 3.39Å; W247-Q250 PolarHBondContact O-N 2.59Å; W247-Q260 CarbonylContact C-O 3.6Å; W247-I264 HydrophobicContact CZ2-CG2 4.5Å; W247-V379 VanDerWaalsContact CH2-O 3.3Å; W247-V379 WeakPolarHBondContact CH2-O 3.25Å; W247-N380 HydrophobicContact CD2-CB 4.3Å; W247-N380 HydrophobicContact CE3-CB 3.59Å; W247-N380 HydrophobicContact CH2-CB 4.2Å; W247-N380 HydrophobicContact CZ3-CB 3.54Å
248	I	98.8	Very high	98.5	Very high	3 Å²	3	63.5 Å²	63.5	2%	0.015	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-21.9	-169.8	61.5	-174.6	0	0	0	114.2	I103 C106 I107 N110 Y245 Q250 F251 Q260 I261	I103-I248 HydrophobicContact CG2-CB 4.43Å; C106-I248 HydrophobicContact CB-CD1 3.9Å; C106-I248 HydrophobicContact CB-CG2 3.72Å; I107-I248 HydrophobicContact CG1-CD1 3.75Å; N110-I248 WeakPolarHBondContact ND2-CD1 3.27Å; Y245-I248 WeakPolarHBondContact O-CG1 3.35Å; I248-Q250 VanDerWaalsContact C-N 3.28Å; I248-Q250 PolarHBondContact O-N 3.33Å; I248-F251 WeakPolarHBondContact O-CE2 3.03Å; I248-Q260 WeakPolarHBondContact CA-O 3.44Å; I248-Q260 VanDerWaalsContact CG2-O 3.24Å; I248-Q260 WeakPolarHBondContact CG2-O 3.26Å; I248-Q260 PolarHBondContact N-O 2.8Å; I248-Q260 PolarHBondContact O-NE2 3.49Å; I248-I261 HydrophobicContact CG2-CG2 4.29Å
249	H	98.1	Very high	98.5	Very high	38 Å²	38	59.3 Å²	59.3	18%	0.176	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-19.9	176.9	-33.9	97.8	0	0	0	113	Y67 M71 K150 P246 W247 F251	Y67-H249 AromaticContact CE2-NE2 3.51Å; Y67-H249 AromaticContact CZ-NE2 3.59Å; Y67-H249 PolarHBondContact OH-NE2 2.55Å; M71-H249 VanDerWaalsContact SD-CD2 3.58Å; K150-H249 HydrophobicContact CD-CB 4.22Å; K150-H249 HydrophobicContact CG-CB 4.47Å; P246-H249 PolarHBondContact O-CE1 2.91Å; P246-H249 PolarHBondContact O-ND1 3.04Å; W247-H249 PolarHBondContact O-N 2.8Å; H249-F251 PolarHBondContact O-N 2.94Å
250	Q	98.6	Very high	98.6	Very high	43 Å²	43	55.4 Å²	55.4	20%	0.201	27%	0.272	C	S	.	.			trans	-92.3	97.8	-175.7	-173	-174.5	-47.1	0	0	110.3	W247 I248 S252 N254 Q260 N380 S383	W247-Q250 WeakPolarHBondContact O-CB 3.39Å; W247-Q250 PolarHBondContact O-N 2.59Å; I248-Q250 VanDerWaalsContact C-N 3.28Å; I248-Q250 PolarHBondContact O-N 3.33Å; Q250-S252 VanDerWaalsContact CG-O 3.32Å; Q250-S252 WeakPolarHBondContact CG-O 3.44Å; Q250-S252 PolarHBondContact NE2-O 3.19Å; Q250-N254 PolarHBondContact O-ND2 3.2Å; Q250-Q260 PolarHBondContact O-NE2 2.78Å; Q250-N380 PolarHBondContact OE1-ND2 2.63Å; Q250-N380 VanDerWaalsContact OE1-ND2 3.14Å; Q250-S383 PolarHBondContact NE2-OG 3.44Å
251	F	98.5	Very high	98.6	Very high	59 Å²	59	53.6 Å²	53.6	26%	0.259	26%	0.263	S	S	.	.			trans	-86.8	-16.6	177.6	-74.8	-101.1	0	0	0	113.6	R74 V75 I103 I248 H249	R74-F251 HydrophobicContact CG-CE2 4.26Å; V75-F251 HydrophobicContact CG2-CZ 4.4Å; I103-F251 HydrophobicContact CD1-CE1 3.97Å; I103-F251 HydrophobicContact CD1-CZ 4.15Å; I248-F251 WeakPolarHBondContact O-CE2 3.03Å; H249-F251 PolarHBondContact O-N 2.94Å
252	S	98.6	Very high	98.6	Very high	82 Å²	82	50.5 Å²	50.5	57%	0.573	25%	0.248	S	C	*	.	S	Bend	trans	-98.2	160.8	178.9	-59	0	0	0	0	111.6	Q250 N254	Q250-S252 VanDerWaalsContact CG-O 3.32Å; Q250-S252 WeakPolarHBondContact CG-O 3.44Å; Q250-S252 PolarHBondContact NE2-O 3.19Å; S252-N254 PolarHBondContact O-N 2.68Å
253	N	98.6	Very high	98.6	Very high	66 Å²	66	50.9 Å²	50.9	35%	0.353	26%	0.256	S	S	.	.	S	Bend	trans	59.8	27.9	171.2	-62.2	-41.8	0	0	0	114.9	M384 M385	N253-M384 HydrophobicContact CB-CB 3.94Å; N253-M384 PolarHBondContact O-N 2.87Å; N253-M385 HydrophobicContact CB-CB 4.24Å; N253-M385 WeakPolarHBondContact ND2-CB 3.47Å
254	N	98.7	Very high	98.6	Very high	34 Å²	34	48.9 Å²	48.9	18%	0.182	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-91.1	126.4	173.2	-64.2	-41.8	0	0	0	109.8	Q250 S252	Q250-N254 PolarHBondContact O-ND2 3.2Å; S252-N254 PolarHBondContact O-N 2.68Å
255	R	98.3	Very high	98.7	Very high	170 Å²	170	53.2 Å²	53.2	64%	0.642	27%	0.265	S	S	*	.	S	Bend	trans	-73.2	-38.3	175.3	-62.2	175.8	-176	-89.3	-0.8	110.8	L382 M384	R255-L382 PolarHBondContact NE-O 3.05Å; R255-M384 HydrophobicContact CG-CG 3.52Å; R255-M384 HydrophobicContact CG-SD 4.12Å
256	R	98.6	Very high	98.7	Very high	185 Å²	185	51.3 Å²	51.3	70%	0.698	26%	0.258	S	S	*	.	S	Bend	trans	-132.9	146.1	176.5	-53.5	177.6	176.1	-166.2	-0.9	109.2	A258 D259	R256-A258 PolarHBondContact O-N 3.5Å; R256-D259 PolarHBondContact N-OD2 3.35Å; R256-D259 WeakPolarHBondContact O-CB 3.25Å; R256-D259 PolarHBondContact O-N 3.32Å
257	S	98.6	Very high	98.7	Very high	77 Å²	77	51.3 Å²	51.3	54%	0.538	26%	0.258	S	S	.	.	H	α-helix	trans	-56.9	-36.5	175	-50.7	0	0	0	0	112	H99 D259 Q260	H99-S257 PolarHBondContact CE1-O 2.97Å; S257-D259 PolarHBondContact O-N 3.23Å; S257-Q260 WeakPolarHBondContact O-CB 3.27Å; S257-Q260 PolarHBondContact O-N 3.07Å
258	A	98.7	Very high	98.7	Very high	63 Å²	63	52.2 Å²	52.2	52%	0.521	26%	0.263	S	S	.	.	H	α-helix	trans	-61.4	-26.6	176.9	0	0	0	0	0	113.6	R256 Q260 I261 R262	R256-A258 PolarHBondContact O-N 3.5Å; A258-Q260 PolarHBondContact O-N 3.06Å; A258-I261 PolarHBondContact O-N 2.84Å; A258-R262 PolarHBondContact O-N 3.48Å
259	D	98.8	Very high	98.7	Very high	19 Å²	19	53.8 Å²	53.8	10%	0.102	27%	0.272	C	S	.	.	H	α-helix	trans	-65.9	-29.4	-179.3	-55.1	-23.7	0	0	0	111.4	R256 S257 R262 L382	R256-D259 PolarHBondContact N-OD2 3.35Å; R256-D259 WeakPolarHBondContact O-CB 3.25Å; R256-D259 PolarHBondContact O-N 3.32Å; S257-D259 PolarHBondContact O-N 3.23Å; D259-R262 WeakPolarHBondContact O-CG 3.32Å; D259-R262 PolarHBondContact O-NH1 2.99Å; D259-L382 HydrophobicContact CB-CB 4.21Å; D259-L382 HydrophobicContact CB-CD1 4.14Å
260	Q	98.8	Very high	98.7	Very high	8 Å²	8	54.2 Å²	54.2	4%	0.037	28%	0.276	C	S	.	.	H	α-helix	trans	-71.1	-35.2	180	-178	179.9	17.8	0	0	112.5	H99 W247 I248 Q250 S257 A258	H99-Q260 PolarHBondContact NE2-OE1 3.23Å; H99-Q260 VanDerWaalsContact NE2-OE1 3.07Å; W247-Q260 CarbonylContact C-O 3.6Å; I248-Q260 WeakPolarHBondContact CA-O 3.44Å; I248-Q260 VanDerWaalsContact CG2-O 3.24Å; I248-Q260 WeakPolarHBondContact CG2-O 3.26Å; I248-Q260 PolarHBondContact N-O 2.8Å; I248-Q260 PolarHBondContact O-NE2 3.49Å; Q250-Q260 PolarHBondContact O-NE2 2.78Å; S257-Q260 WeakPolarHBondContact O-CB 3.27Å; S257-Q260 PolarHBondContact O-N 3.07Å; A258-Q260 PolarHBondContact O-N 3.06Å
261	I	98.8	Very high	98.6	Very high	36 Å²	36	52.2 Å²	52.2	19%	0.185	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	11.9	-174.3	60.1	168.2	0	0	0	112.6	E102 I103 Y245 I248 A258	E102-I261 HydrophobicContact CB-CD1 3.89Å; E102-I261 HydrophobicContact CG-CD1 4.48Å; I103-I261 HydrophobicContact CB-CG2 4.48Å; I103-I261 HydrophobicContact CG1-CG2 3.6Å; Y245-I261 WeakPolarHBondContact CD1-O 3.49Å; Y245-I261 WeakPolarHBondContact CE1-O 3.46Å; I248-I261 HydrophobicContact CG2-CG2 4.29Å; A258-I261 PolarHBondContact O-N 2.84Å
262	R	98.8	Very high	98.5	Very high	46 Å²	46	51.3 Å²	51.3	17%	0.174	26%	0.264	C	S	.	.			trans	-70.4	138.9	178.4	78	-175.3	-169.9	-84.8	4	110.5	A258 D259 N380	A258-R262 PolarHBondContact O-N 3.48Å; D259-R262 WeakPolarHBondContact O-CG 3.32Å; D259-R262 PolarHBondContact O-NH1 2.99Å; R262-N380 VanDerWaalsContact CZ-OD1 3.28Å; R262-N380 PolarHBondContact NH1-OD1 3.42Å; R262-N380 PolarHBondContact NH2-OD1 3.26Å
263	P	98.8	Very high	98.4	Very high	52 Å²	52	50.1 Å²	50.1	34%	0.338	26%	0.255	S	S	.	.			trans	-79.1	164	175.8	33.4	-35.2	0	0	0	111.9	Q243 L244 Y245 F265	Q243-P263 HydrophobicContact CG-CB 3.86Å; L244-P263 CarbonylContact O-C 3.56Å; L244-P263 WeakPolarHBondContact O-CA 3.28Å; Y245-P263 HydrophobicContact CD1-CB 4.14Å; Y245-P263 HydrophobicContact CE1-CB 3.82Å; Y245-P263 HydrophobicContact CE1-CG 4.45Å; P263-F265 HydrophobicContact CB-CE2 4.49Å; P263-F265 HydrophobicContact CG-CE2 4.19Å; P263-F265 HydrophobicContact CG-CZ 4.37Å
264	I	98.8	Very high	98.3	Very high	4 Å²	4	47.5 Å²	47.5	2%	0.021	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	154.5	155.8	62.9	93.3	0	0	0	108.2	V157 Q243 L244 P246 W247 F266	V157-I264 HydrophobicContact CG2-CD1 4.49Å; V157-I264 HydrophobicContact CG2-CG1 4.11Å; V157-I264 HydrophobicContact CG2-CG2 4.26Å; Q243-I264 VanDerWaalsContact CA-O 3.25Å; Q243-I264 WeakPolarHBondContact CA-O 3.49Å; L244-I264 HydrophobicContact CB-CD1 4.16Å; L244-I264 HydrophobicContact CB-CG1 4.32Å; L244-I264 PolarHBondContact N-O 2.7Å; L244-I264 PolarHBondContact O-N 3.09Å; P246-I264 HydrophobicContact CG-CG1 3.96Å; P246-I264 HydrophobicContact CG-CG2 4.23Å; W247-I264 HydrophobicContact CZ2-CG2 4.5Å; I264-F266 HydrophobicContact CD1-CD1 4.02Å
265	F	98.9	Very high	98.1	Very high	91 Å²	91	48.4 Å²	48.4	40%	0.399	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	149.5	175.8	-61	-91	0	0	0	110.6	S161 N240 Y242 Q243 P263	S161-F265 VanDerWaalsContact CB-O 3.28Å; S161-F265 WeakPolarHBondContact CB-O 3.08Å; S161-F265 PolarHBondContact OG-O 2.89Å; N240-F265 HydrophobicContact CB-CB 3.89Å; N240-F265 WeakPolarHBondContact OD1-CB 3.47Å; Y242-F265 CarbonylContact O-C 3.55Å; Y242-F265 VanDerWaalsContact O-CA 3.28Å; Y242-F265 WeakPolarHBondContact O-CA 3.33Å; Q243-F265 HydrophobicContact CB-CD1 3.98Å; Q243-F265 HydrophobicContact CB-CE1 3.97Å; P263-F265 HydrophobicContact CB-CE2 4.49Å; P263-F265 HydrophobicContact CG-CE2 4.19Å; P263-F265 HydrophobicContact CG-CZ 4.37Å
266	F	98.8	Very high	97.8	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	160.5	178.6	72.8	-80.4	0	0	0	111.2	I113 F156 W160 F231 V232 K241 Y242 L244 I264	I113-F266 HydrophobicContact CG2-CZ 4.33Å; F156-F266 HydrophobicContact CD1-CD1 4.31Å; F156-F266 AromaticContact CD1-CD2 3.63Å; F156-F266 HydrophobicContact CD1-CD2 3.63Å; F156-F266 HydrophobicContact CD1-CE1 4.21Å; F156-F266 AromaticContact CD1-CE2 3.5Å; F156-F266 HydrophobicContact CD1-CE2 3.5Å; F156-F266 VanDerWaalsContact CD1-CE2 3.5Å; F156-F266 HydrophobicContact CD1-CG 4.03Å; F156-F266 AromaticContact CD1-CZ 3.79Å; F156-F266 HydrophobicContact CD1-CZ 3.79Å; F156-F266 AromaticContact CE1-CD2 3.97Å; F156-F266 HydrophobicContact CE1-CD2 3.97Å; F156-F266 AromaticContact CE1-CE2 3.42Å; F156-F266 HydrophobicContact CE1-CE2 3.42Å; F156-F266 VanDerWaalsContact CE1-CE2 3.42Å; F156-F266 AromaticContact CE1-CZ 3.78Å; F156-F266 HydrophobicContact CE1-CZ 3.78Å; W160-F266 HydrophobicContact CB-CB 4.2Å; W160-F266 WeakPolarHBondContact O-CA 3.18Å; W160-F266 WeakPolarHBondContact O-CB 3.46Å; F231-F266 HydrophobicContact CD1-CE2 4.48Å; F231-F266 AromaticContact CE1-CE2 3.87Å; F231-F266 HydrophobicContact CE1-CE2 3.87Å; F231-F266 HydrophobicContact CE1-CZ 4.12Å; V232-F266 HydrophobicContact CG2-CD2 4.32Å; V232-F266 HydrophobicContact CG2-CE2 4.25Å; K241-F266 PolarHBondContact N-O 3.14Å; Y242-F266 VanDerWaalsContact CB-CE1 3.41Å; Y242-F266 HydrophobicContact CD2-CE2 4.29Å; Y242-F266 HydrophobicContact CG-CE2 4.31Å; Y242-F266 HydrophobicContact CG-CZ 4.1Å; Y242-F266 PolarHBondContact N-O 3.09Å; Y242-F266 PolarHBondContact O-N 3.09Å; L244-F266 HydrophobicContact CB-CE1 4.33Å; L244-F266 HydrophobicContact CD1-CD1 4.35Å; L244-F266 HydrophobicContact CD1-CE1 3.57Å; L244-F266 HydrophobicContact CD1-CZ 3.95Å; L244-F266 HydrophobicContact CG-CE1 3.69Å; L244-F266 HydrophobicContact CG-CZ 4.34Å; I264-F266 HydrophobicContact CD1-CD1 4.02Å
267	P	98.8	Very high	97.5	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	27%	0.265	C	S	.	.			cis	-75	147.7	-11	34.7	-37.2	0	0	0	111.7	W160 V232 C236 I239 N240 V269 P271	W160-P267 HydrophobicContact CB-CB 4.49Å; W160-P267 HydrophobicContact CE3-CB 4.06Å; W160-P267 CarbonylContact O-C 3.57Å; W160-P267 VanDerWaalsContact O-CA 3.26Å; W160-P267 WeakPolarHBondContact O-CA 3.3Å; V232-P267 HydrophobicContact CG1-CB 4.36Å; C236-P267 HydrophobicContact CB-CG 3.79Å; I239-P267 CarbonylContact C-O 3.27Å; I239-P267 WeakPolarHBondContact CA-O 3.37Å; N240-P267 PolarHBondContact N-O 3.31Å; P267-V269 VanDerWaalsContact C-N 3.26Å; P267-V269 VanDerWaalsContact CB-O 3.26Å; P267-V269 WeakPolarHBondContact CB-O 3.39Å; P267-V269 WeakPolarHBondContact CG-O 3.46Å; P267-V269 PolarHBondContact O-N 3.23Å; P267-P271 HydrophobicContact CB-CG 4.27Å; P267-P271 HydrophobicContact CG-CG 4.28Å
268	D	98.7	Very high	97.3	Very high	20 Å²	20	39.3 Å²	39.3	11%	0.107	25%	0.249	C	C	.	.	S	Bend	trans	-75.9	-14.4	179.6	64	-54	0	0	0	113.9	W160 E162 R168 R204	W160-D268 WeakPolarHBondContact CA-OD1 3.5Å; W160-D268 PolarHBondContact O-N 3.09Å; W160-D268 VanDerWaalsContact O-OD1 3.08Å; E162-D268 HydrophobicContact CB-CB 4.22Å; R168-D268 IonicContact CZ-OD2 3.63Å; R168-D268 IonicContact NH2-OD1 3.85Å; R168-D268 IonicContact NH2-OD2 2.7Å; R168-D268 PolarHBondContact NH2-OD2 3.5Å; R204-D268 IonicContact CZ-OD1 3.92Å; R204-D268 IonicContact CZ-OD2 3.83Å; R204-D268 IonicContact NH1-OD1 2.73Å; R204-D268 PolarHBondContact NH1-OD1 3.48Å; R204-D268 IonicContact NH1-OD2 3.27Å; R204-D268 PolarHBondContact NH1-OD2 3.3Å; R204-D268 IonicContact NH2-OD2 2.72Å; R204-D268 PolarHBondContact NH2-OD2 3.02Å
269	V	98.6	Very high	97.2	Very high	36 Å²	36	40.4 Å²	40.4	22%	0.218	25%	0.246	C	C	.	.	S	Bend	trans	-133.1	159.4	173.4	-62.4	0	0	0	0	108.3	W160 W207 P267 P271	W160-V269 HydrophobicContact CE3-CG2 4.21Å; W160-V269 HydrophobicContact CZ3-CG2 3.77Å; W207-V269 HydrophobicContact CH2-CB 4.2Å; W207-V269 HydrophobicContact CH2-CG2 3.66Å; W207-V269 HydrophobicContact CZ2-CG2 4.2Å; W207-V269 HydrophobicContact CZ3-CG2 3.92Å; P267-V269 VanDerWaalsContact C-N 3.26Å; P267-V269 VanDerWaalsContact CB-O 3.26Å; P267-V269 WeakPolarHBondContact CB-O 3.39Å; P267-V269 WeakPolarHBondContact CG-O 3.46Å; P267-V269 PolarHBondContact O-N 3.23Å; V269-P271 VanDerWaalsContact O-CD 3.24Å; V269-P271 WeakPolarHBondContact O-CD 3.31Å
270	D	98.2	Very high	97.1	Very high	47 Å²	47	40.3 Å²	40.3	25%	0.251	24%	0.244	S	C	.	.			trans	-79.2	113.6	170.3	176.8	11.5	0	0	0	109.4	I239 H272 S273	I239-D270 HydrophobicContact CG1-CB 4.35Å; D270-H272 PolarHBondContact O-N 3.32Å; D270-H272 WeakPolarHBondContact OD1-CB 3.19Å; D270-H272 IonicContact OD1-CG 3.28Å; D270-H272 PolarHBondContact OD1-N 3.1Å; D270-H272 IonicContact OD1-ND1 3.9Å; D270-H272 PolarHBondContact OD1-ND1 3.01Å; D270-S273 VanDerWaalsContact O-CB 3.28Å; D270-S273 WeakPolarHBondContact O-CB 3.24Å; D270-S273 PolarHBondContact O-N 3.41Å; D270-S273 PolarHBondContact O-OG 3.15Å
271	P	97.6	Very high	97.1	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.006	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-59	-25.1	176.9	-22.2	35.8	0	0	0	113.7	W160 W207 V232 L233 C236 P267 V269 S273	W160-P271 HydrophobicContact CE3-CG 4.49Å; W160-P271 HydrophobicContact CH2-CB 4.26Å; W160-P271 HydrophobicContact CH2-CG 4.23Å; W160-P271 HydrophobicContact CZ3-CB 4.36Å; W160-P271 HydrophobicContact CZ3-CG 3.92Å; W207-P271 PolarHBondContact NE1-O 2.91Å; V232-P271 HydrophobicContact CG1-CG 4.15Å; L233-P271 HydrophobicContact CD2-CB 4.16Å; C236-P271 WeakPolarHBondContact O-CD 3.46Å; P267-P271 HydrophobicContact CB-CG 4.27Å; P267-P271 HydrophobicContact CG-CG 4.28Å; V269-P271 VanDerWaalsContact O-CD 3.24Å; V269-P271 WeakPolarHBondContact O-CD 3.31Å; P271-S273 VanDerWaalsContact C-N 3.25Å; P271-S273 PolarHBondContact O-N 3.07Å
272	H	96.3	Very high	97	Very high	41 Å²	41	38.9 Å²	38.9	19%	0.19	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-84.2	1.5	178.9	-51.9	86.4	0	0	0	112.9	V23 L233 D270 L274	V23-H272 PolarHBondContact O-CD2 3.45Å; L233-H272 PolarHBondContact O-NE2 2.95Å; D270-H272 PolarHBondContact O-N 3.32Å; D270-H272 WeakPolarHBondContact OD1-CB 3.19Å; D270-H272 IonicContact OD1-CG 3.28Å; D270-H272 PolarHBondContact OD1-N 3.1Å; D270-H272 IonicContact OD1-ND1 3.9Å; D270-H272 PolarHBondContact OD1-ND1 3.01Å; H272-L274 PolarHBondContact O-N 2.96Å; H272-L274 VanDerWaalsContact O-N 3.1Å
273	S	96.9	Very high	96.9	Very high	56 Å²	56	37 Å²	37	39%	0.392	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-75.3	12	176	67	0	0	0	0	114.4	D270 P271	D270-S273 VanDerWaalsContact O-CB 3.28Å; D270-S273 WeakPolarHBondContact O-CB 3.24Å; D270-S273 PolarHBondContact O-N 3.41Å; D270-S273 PolarHBondContact O-OG 3.15Å; P271-S273 VanDerWaalsContact C-N 3.25Å; P271-S273 PolarHBondContact O-N 3.07Å
274	L	95.4	Very high	96.7	Very high	11 Å²	11	35 Å²	35	6%	0.058	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-55	131	172.4	-77.3	165.5	0	0	0	110.4	V23 A210 M211 H272 F280	V23-L274 HydrophobicContact CG1-CD1 4.45Å; A210-L274 HydrophobicContact CB-CD2 3.88Å; M211-L274 HydrophobicContact CG-CD2 3.93Å; M211-L274 HydrophobicContact SD-CB 4.43Å; M211-L274 HydrophobicContact SD-CD2 3.61Å; M211-L274 HydrophobicContact SD-CG 4.06Å; H272-L274 PolarHBondContact O-N 2.96Å; H272-L274 VanDerWaalsContact O-N 3.1Å; L274-F280 HydrophobicContact CD1-CB 4.03Å; L274-F280 HydrophobicContact CD1-CD1 3.89Å; L274-F280 HydrophobicContact CD1-CG 4.4Å
275	P	94.4	Very high	96.5	Very high	54 Å²	54	35.8 Å²	35.8	35%	0.351	23%	0.229	S	C	.	.	P	Polyproline II helix	trans	-55	148.3	175.7	-27	33.8	0	0	0	112.9	G277 S278	P275-G277 PolarHBondContact O-N 2.99Å; P275-S278 WeakPolarHBondContact CD-OG 3.38Å; P275-S278 VanDerWaalsContact O-CB 3.24Å; P275-S278 WeakPolarHBondContact O-CB 3.45Å; P275-S278 PolarHBondContact O-N 3.1Å; P275-S278 PolarHBondContact O-OG 2.89Å; P275-S278 VanDerWaalsContact O-OG 3.13Å
276	P	93.4	Very high	96.2	Very high	136 Å²	136	33.6 Å²	33.6	88%	0.883	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.9	131.1	171.9	-25.1	34.1	0	0	0	111.5	S278	P276-S278 VanDerWaalsContact C-N 3.35Å
277	G	90.9	Very high	96.2	Very high	77 Å²	77	33.7 Å²	33.7	79%	0.794	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.1	2.7	-176.7	0	0	0	0	0	115	P275	P275-G277 PolarHBondContact O-N 2.99Å
278	S	94.4	Very high	96	Very high	28 Å²	28	36.5 Å²	36.5	20%	0.196	24%	0.235	C	C	.	.			trans	-59.1	143	166.9	-78.8	0	0	0	0	111.2	A210 P275 P276	A210-S278 PolarHBondContact O-OG 3.19Å; P275-S278 WeakPolarHBondContact CD-OG 3.38Å; P275-S278 VanDerWaalsContact O-CB 3.24Å; P275-S278 WeakPolarHBondContact O-CB 3.45Å; P275-S278 PolarHBondContact O-N 3.1Å; P275-S278 PolarHBondContact O-OG 2.89Å; P275-S278 VanDerWaalsContact O-OG 3.13Å; P276-S278 VanDerWaalsContact C-N 3.35Å
279	N	96.4	Very high	95.6	Very high	86 Å²	86	40.4 Å²	40.4	46%	0.46	25%	0.252	S	S	.	.			trans	-118	96.8	177.1	-177.6	-1.3	0	0	0	108.8	A215 C216	A215-N279 HydrophobicContact CB-CB 4.19Å; C216-N279 PolarHBondContact N-O 3.02Å
280	F	98.3	Very high	95.4	Very high	16 Å²	16	40.1 Å²	40.1	7%	0.07	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	130.3	178.9	-179	-138.3	0	0	0	110.4	V25 A206 W207 A210 C216 L233 L274 M282	V25-F280 HydrophobicContact CB-CD1 4.21Å; V25-F280 HydrophobicContact CB-CE1 4.31Å; V25-F280 HydrophobicContact CG1-CD1 3.58Å; V25-F280 HydrophobicContact CG1-CE1 3.59Å; V25-F280 HydrophobicContact CG1-CG 4.23Å; V25-F280 HydrophobicContact CG1-CZ 4.21Å; V25-F280 HydrophobicContact CG2-CD1 3.52Å; V25-F280 HydrophobicContact CG2-CE1 3.75Å; A206-F280 HydrophobicContact CB-CE2 3.65Å; A206-F280 HydrophobicContact CB-CZ 4.35Å; W207-F280 HydrophobicContact CB-CE1 4.11Å; W207-F280 HydrophobicContact CB-CZ 4.14Å; A210-F280 HydrophobicContact CB-CB 3.67Å; A210-F280 HydrophobicContact CB-CD2 4.13Å; A210-F280 HydrophobicContact CB-CG 3.99Å; C216-F280 WeakPolarHBondContact O-CA 3.48Å; L233-F280 HydrophobicContact CD1-CE1 3.77Å; L233-F280 HydrophobicContact CD1-CZ 3.87Å; L233-F280 HydrophobicContact CD2-CE1 3.8Å; L233-F280 HydrophobicContact CD2-CZ 4.4Å; L233-F280 HydrophobicContact CG-CE1 4.36Å; L274-F280 HydrophobicContact CD1-CB 4.03Å; L274-F280 HydrophobicContact CD1-CD1 3.89Å; L274-F280 HydrophobicContact CD1-CG 4.4Å; F280-M282 HydrophobicContact CE2-CG 4.48Å; F280-M282 HydrophobicContact CE2-SD 4.41Å; F280-M282 HydrophobicContact CZ-CG 4.2Å; F280-M282 HydrophobicContact CZ-SD 4.32Å
281	S	97.8	Very high	95.3	Very high	15 Å²	15	38.6 Å²	38.6	11%	0.105	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	160.2	176.8	56.2	0	0	0	0	112.1	C216 Q217 G218	C216-S281 PolarHBondContact O-N 2.7Å; Q217-S281 WeakPolarHBondContact CA-O 3.45Å; Q217-S281 WeakPolarHBondContact CG-OG 3.49Å; Q217-S281 PolarHBondContact NE2-OG 2.94Å; Q217-S281 VanDerWaalsContact NE2-OG 3.13Å; G218-S281 PolarHBondContact N-O 3.26Å
282	M	98	Very high	95.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	137.5	172.9	-72.5	-71.1	-61.3	0	0	110.3	V25 Q26 F27 S28 A200 G218 E220 L233 F280	V25-M282 HydrophobicContact CG1-CG 4.38Å; Q26-M282 PolarHBondContact O-N 2.79Å; F27-M282 WeakPolarHBondContact CA-O 3.41Å; F27-M282 HydrophobicContact CD1-CB 3.73Å; F27-M282 HydrophobicContact CD2-CB 4.19Å; F27-M282 HydrophobicContact CE1-CB 3.52Å; F27-M282 HydrophobicContact CE1-CE 4.42Å; F27-M282 HydrophobicContact CE1-CG 3.95Å; F27-M282 HydrophobicContact CE2-CB 4Å; F27-M282 HydrophobicContact CE2-CG 4.09Å; F27-M282 HydrophobicContact CG-CB 4.06Å; F27-M282 HydrophobicContact CZ-CB 3.67Å; F27-M282 HydrophobicContact CZ-CG 3.66Å; S28-M282 PolarHBondContact N-O 3.03Å; S28-M282 PolarHBondContact OG-O 3.05Å; A200-M282 HydrophobicContact CB-CE 3.96Å; A200-M282 HydrophobicContact CB-SD 4.17Å; G218-M282 VanDerWaalsContact CA-SD 3.6Å; G218-M282 CarbonylContact O-C 3.57Å; G218-M282 WeakPolarHBondContact O-CA 3.48Å; E220-M282 HydrophobicContact CB-CE 4.2Å; L233-M282 HydrophobicContact CD1-CG 4.16Å; F280-M282 HydrophobicContact CE2-CG 4.48Å; F280-M282 HydrophobicContact CE2-SD 4.41Å; F280-M282 HydrophobicContact CZ-CG 4.2Å; F280-M282 HydrophobicContact CZ-SD 4.32Å
283	T	96.3	Very high	95.2	Very high	7 Å²	7	46.1 Å²	46.1	4%	0.043	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	130.9	177.6	-54.5	0	0	0	0	111.2	S28 Q217 G218 N219 E220 I290	S28-T283 CarbonylContact O-C 3.58Å; S28-T283 WeakPolarHBondContact O-CA 3.42Å; S28-T283 PolarHBondContact OG-OG1 2.82Å; Q217-T283 VanDerWaalsContact CD-OG1 3.31Å; Q217-T283 PolarHBondContact OE1-OG1 3.06Å; G218-T283 PolarHBondContact O-N 2.97Å; N219-T283 WeakPolarHBondContact CA-O 3.37Å; N219-T283 PolarHBondContact ND2-O 3.45Å; E220-T283 PolarHBondContact N-O 3.5Å; T283-I290 HydrophobicContact CG2-CD1 4.02Å; T283-I290 HydrophobicContact CG2-CG2 3.98Å
284	A	94.6	Very high	95.2	Very high	9 Å²	9	46.6 Å²	46.6	7%	0.074	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	130.4	-179.7	0	0	0	0	0	113.2	S28 G30 F125 E220 L226 I290	S28-A284 PolarHBondContact O-N 3.29Å; G30-A284 PolarHBondContact N-O 3.05Å; F125-A284 HydrophobicContact CD1-CB 4.38Å; F125-A284 HydrophobicContact CE1-CB 3.41Å; F125-A284 VanDerWaalsContact CE1-CB 3.41Å; F125-A284 HydrophobicContact CZ-CB 3.86Å; E220-A284 CarbonylContact O-C 3.52Å; E220-A284 VanDerWaalsContact O-CA 3.25Å; E220-A284 WeakPolarHBondContact O-CA 3.4Å; L226-A284 HydrophobicContact CD1-CB 3.44Å; L226-A284 VanDerWaalsContact CD1-CB 3.44Å; L226-A284 HydrophobicContact CD2-CB 3.77Å; L226-A284 HydrophobicContact CG-CB 4.25Å; A284-I290 VanDerWaalsContact O-CD1 3.28Å; A284-I290 WeakPolarHBondContact O-CD1 3.4Å
285	G	93	Very high	95.4	Very high	20 Å²	20	49.7 Å²	49.7	21%	0.206	30%	0.301	C	S	.	.	S	Bend	trans	129	-174.1	170.3	0	0	0	0	0	113.1	N219 E220 F287 I290	N219-G285 PolarHBondContact ND2-O 3.15Å; E220-G285 PolarHBondContact O-N 3.12Å; G285-F287 PolarHBondContact O-N 2.99Å; G285-I290 VanDerWaalsContact CA-CD1 3.44Å
286	D	94.6	Very high	95.6	Very high	45 Å²	45	48.6 Å²	48.6	24%	0.241	29%	0.293	C	S	.	.			trans	-68.1	126.8	-174.1	-169.5	-40.1	0	0	0	111.1	Q288 E289 I290	D286-Q288 PolarHBondContact O-N 3.27Å; D286-Q288 WeakPolarHBondContact OD1-CB 3.46Å; D286-Q288 PolarHBondContact OD1-N 3.5Å; D286-E289 HydrophobicContact CB-CB 4.19Å; D286-E289 HydrophobicContact CB-CG 3.97Å; D286-E289 PolarHBondContact O-N 3.3Å; D286-E289 VanDerWaalsContact O-N 3.17Å; D286-I290 WeakPolarHBondContact O-CB 3.36Å; D286-I290 VanDerWaalsContact O-CG1 3.26Å; D286-I290 WeakPolarHBondContact O-CG1 3.48Å; D286-I290 PolarHBondContact O-N 2.95Å
287	F	97.3	Very high	95.8	Very high	3 Å²	3	43.3 Å²	43.3	1%	0.013	26%	0.255	C	S	.	.	H	α-helix	trans	-47.5	-45.2	175.4	167.3	-114.5	0	0	0	112.7	L196 P198 N219 G285 E289 Y291 F305 Y315 T318 I319 I322	L196-F287 HydrophobicContact CD2-CD2 4.35Å; L196-F287 HydrophobicContact CD2-CE2 3.83Å; P198-F287 HydrophobicContact CB-CD2 3.76Å; P198-F287 HydrophobicContact CB-CE2 4.13Å; P198-F287 HydrophobicContact CB-CG 4.11Å; P198-F287 HydrophobicContact CG-CD2 3.73Å; P198-F287 HydrophobicContact CG-CE2 3.6Å; P198-F287 HydrophobicContact CG-CG 4.48Å; P198-F287 HydrophobicContact CG-CZ 4.23Å; N219-F287 WeakPolarHBondContact OD1-CB 3.42Å; G285-F287 PolarHBondContact O-N 2.99Å; F287-E289 PolarHBondContact O-N 3.38Å; F287-Y291 AromaticContact CD2-CD2 3.54Å; F287-Y291 HydrophobicContact CD2-CD2 3.54Å; F287-Y291 HydrophobicContact CD2-CE2 4.1Å; F287-Y291 HydrophobicContact CD2-CG 4.46Å; F287-Y291 AromaticContact CE2-CD2 4Å; F287-Y291 HydrophobicContact CE2-CD2 4Å; F287-Y291 HydrophobicContact CG-CD2 4.49Å; F287-Y291 VanDerWaalsContact O-CD2 3.27Å; F287-Y291 WeakPolarHBondContact O-CD2 3.47Å; F287-Y291 PolarHBondContact O-N 3.41Å; F287-F305 HydrophobicContact CB-CZ 4.05Å; F287-F305 HydrophobicContact CD1-CE1 4.19Å; F287-F305 HydrophobicContact CD1-CZ 4.05Å; F287-F305 HydrophobicContact CG-CE1 4.5Å; F287-F305 HydrophobicContact CG-CZ 4.08Å; F287-Y315 HydrophobicContact CD1-CD1 4.25Å; F287-Y315 HydrophobicContact CD1-CE1 4.4Å; F287-T318 HydrophobicContact CD1-CG2 4.28Å; F287-T318 HydrophobicContact CE1-CG2 3.57Å; F287-T318 HydrophobicContact CE2-CG2 4.25Å; F287-T318 HydrophobicContact CZ-CG2 3.54Å; F287-I319 HydrophobicContact CE1-CG1 4.21Å; F287-I319 HydrophobicContact CZ-CG1 3.84Å; F287-I322 HydrophobicContact CE2-CD1 3.87Å; F287-I322 HydrophobicContact CZ-CD1 4.06Å
288	Q	94.5	Very high	96.2	Very high	59 Å²	59	40.4 Å²	40.4	28%	0.276	22%	0.222	S	C	.	.	H	α-helix	trans	-72.1	-32.1	-174.7	-60.8	-176.3	90.7	0	0	112.7	D286 Y315	D286-Q288 PolarHBondContact O-N 3.27Å; D286-Q288 WeakPolarHBondContact OD1-CB 3.46Å; D286-Q288 PolarHBondContact OD1-N 3.5Å; Q288-Y315 HydrophobicContact CG-CD1 3.85Å; Q288-Y315 HydrophobicContact CG-CE1 3.86Å
289	E	91.8	Very high	96.4	Very high	101 Å²	101	39 Å²	39	47%	0.472	21%	0.212	S	C	.	.	H	α-helix	trans	-83.9	-36.4	-176.8	-61.5	-175.1	161	0	0	112.1	L32 G33 D286 F287	L32-E289 HydrophobicContact CD2-CB 4.45Å; L32-E289 VanDerWaalsContact CD2-OE2 3.23Å; L32-E289 WeakPolarHBondContact CD2-OE2 3.36Å; G33-E289 PolarHBondContact N-O 2.96Å; D286-E289 HydrophobicContact CB-CB 4.19Å; D286-E289 HydrophobicContact CB-CG 3.97Å; D286-E289 PolarHBondContact O-N 3.3Å; D286-E289 VanDerWaalsContact O-N 3.17Å; F287-E289 PolarHBondContact O-N 3.38Å
290	I	93.4	Very high	96.5	Very high	30 Å²	30	35 Å²	35	15%	0.154	19%	0.19	C	C	.	.	H	α-helix	trans	-74.3	-46.1	-177.8	-67.5	174.7	0	0	0	110.7	T283 A284 G285 D286 S292	T283-I290 HydrophobicContact CG2-CD1 4.02Å; T283-I290 HydrophobicContact CG2-CG2 3.98Å; A284-I290 VanDerWaalsContact O-CD1 3.28Å; A284-I290 WeakPolarHBondContact O-CD1 3.4Å; G285-I290 VanDerWaalsContact CA-CD1 3.44Å; D286-I290 WeakPolarHBondContact O-CB 3.36Å; D286-I290 VanDerWaalsContact O-CG1 3.26Å; D286-I290 WeakPolarHBondContact O-CG1 3.48Å; D286-I290 PolarHBondContact O-N 2.95Å; I290-S292 PolarHBondContact O-N 2.91Å
291	Y	96.3	Very high	96.6	Very high	16 Å²	16	34.2 Å²	34.2	6%	0.063	19%	0.187	C	C	.	.			trans	-94.4	80.8	-172.2	-60	-71.4	0	0	0	110.9	L196 Q217 N219 F287 W297 I322	L196-Y291 HydrophobicContact CD1-CE1 3.84Å; L196-Y291 HydrophobicContact CD1-CE2 3.85Å; L196-Y291 WeakPolarHBondContact CD1-OH 3.26Å; L196-Y291 HydrophobicContact CD2-CD1 3.96Å; L196-Y291 HydrophobicContact CD2-CD2 3.88Å; L196-Y291 HydrophobicContact CD2-CE1 4.02Å; L196-Y291 HydrophobicContact CD2-CE2 3.94Å; L196-Y291 HydrophobicContact CD2-CG 3.9Å; Q217-Y291 VanDerWaalsContact OE1-CE1 3.3Å; Q217-Y291 PolarHBondContact OE1-OH 2.98Å; N219-Y291 HydrophobicContact CB-CE2 3.64Å; N219-Y291 WeakPolarHBondContact CB-OH 3.25Å; F287-Y291 AromaticContact CD2-CD2 3.54Å; F287-Y291 HydrophobicContact CD2-CD2 3.54Å; F287-Y291 HydrophobicContact CD2-CE2 4.1Å; F287-Y291 HydrophobicContact CD2-CG 4.46Å; F287-Y291 AromaticContact CE2-CD2 4Å; F287-Y291 HydrophobicContact CE2-CD2 4Å; F287-Y291 HydrophobicContact CG-CD2 4.49Å; F287-Y291 VanDerWaalsContact O-CD2 3.27Å; F287-Y291 WeakPolarHBondContact O-CD2 3.47Å; F287-Y291 PolarHBondContact O-N 3.41Å; Y291-W297 HydrophobicContact CD1-CZ2 4Å; Y291-W297 AromaticContact CD1-NE1 3.84Å; Y291-W297 AromaticContact CE1-CZ2 3.66Å; Y291-W297 HydrophobicContact CE1-CZ2 3.66Å; Y291-I322 HydrophobicContact CG-CD1 4.34Å; Y291-I322 VanDerWaalsContact O-CG2 3.26Å; Y291-I322 WeakPolarHBondContact O-CG2 3.27Å
292	S	93.9	Very high	96.6	Very high	55 Å²	55	33.5 Å²	33.5	39%	0.385	18%	0.182	S	C	.	.			trans	-100.5	-21.6	178.7	55.2	0	0	0	0	114.1	I290 C294	I290-S292 PolarHBondContact O-N 2.91Å; S292-C294 PolarHBondContact O-N 3.08Å
293	E	96.9	Very high	96.7	Very high	144 Å²	144	34.3 Å²	34.3	67%	0.673	19%	0.188	S	C	*	.			trans	-73.2	116.1	-178.8	-166.9	177.2	-178	0	0	111.7	T296	E293-T296 WeakPolarHBondContact CG-OG1 3.22Å; E293-T296 PolarHBondContact O-OG1 2.92Å
294	C	98.3	Very high	96.8	Very high	66 Å²	66	35.1 Å²	35.1	45%	0.446	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	148.5	-179.5	-55.3	0	0	0	0	112.3	S292 T296 R321	S292-C294 PolarHBondContact O-N 3.08Å; C294-T296 PolarHBondContact O-N 3.49Å; C294-T296 PolarHBondContact O-OG1 3.23Å; C294-R321 VanDerWaalsContact CA-O 3.29Å; C294-R321 WeakPolarHBondContact CA-O 3.47Å; C294-R321 HydrophobicContact CB-CG 4.2Å; C294-R321 WeakPolarHBondContact SG-CG 3.41Å
295	N	98.4	Very high	97	Very high	77 Å²	77	35.3 Å²	35.3	41%	0.412	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	42.5	171	-49.1	-54.6	0	0	0	114.5	R321 I322 L323 K324 K398	N295-R321 PolarHBondContact N-O 3.24Å; N295-I322 PolarHBondContact N-O 3.05Å; N295-L323 WeakPolarHBondContact CA-O 3.44Å; N295-L323 PolarHBondContact OD1-O 3.44Å; N295-K324 WeakPolarHBondContact O-CG 3.35Å; N295-K398 PolarHBondContact OD1-NZ 3.3Å
296	T	98.6	Very high	97.3	Very high	31 Å²	31	34.5 Å²	34.5	19%	0.19	18%	0.181	C	C	.	.			trans	-101.7	-37.7	-174.2	-54.9	0	0	0	0	112.6	E293 C294 I322 K324	E293-T296 WeakPolarHBondContact CG-OG1 3.22Å; E293-T296 PolarHBondContact O-OG1 2.92Å; C294-T296 PolarHBondContact O-N 3.49Å; C294-T296 PolarHBondContact O-OG1 3.23Å; T296-I322 PolarHBondContact N-O 3.35Å; T296-K324 WeakPolarHBondContact O-CE 3.49Å
297	W	98.9	Very high	97.5	Very high	24 Å²	24	32.9 Å²	32.9	9%	0.091	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	134.9	-168.1	-60.7	96.1	0	0	0	112.1	N194 L196 Q217 Y291 I300 I322 L323 K324	N194-W297 HydrophobicContact CB-CE3 3.77Å; N194-W297 HydrophobicContact CB-CZ3 4.08Å; L196-W297 HydrophobicContact CB-CD2 3.61Å; L196-W297 HydrophobicContact CB-CE3 3.55Å; L196-W297 HydrophobicContact CB-CG 4.18Å; L196-W297 HydrophobicContact CB-CH2 4.13Å; L196-W297 HydrophobicContact CB-CZ2 4.18Å; L196-W297 HydrophobicContact CB-CZ3 3.81Å; L196-W297 HydrophobicContact CD1-CH2 4.21Å; L196-W297 HydrophobicContact CD1-CZ2 4.16Å; L196-W297 HydrophobicContact CD2-CD2 4.36Å; L196-W297 HydrophobicContact CD2-CZ2 4.32Å; L196-W297 HydrophobicContact CG-CZ2 4.45Å; Q217-W297 HydrophobicContact CB-CH2 3.75Å; Q217-W297 HydrophobicContact CB-CZ3 4.19Å; Q217-W297 HydrophobicContact CG-CH2 4.43Å; Y291-W297 HydrophobicContact CD1-CZ2 4Å; Y291-W297 AromaticContact CD1-NE1 3.84Å; Y291-W297 AromaticContact CE1-CZ2 3.66Å; Y291-W297 HydrophobicContact CE1-CZ2 3.66Å; W297-I300 HydrophobicContact CB-CG1 4.2Å; W297-I322 PolarHBondContact N-O 3.24Å; W297-L323 HydrophobicContact CB-CD2 4.41Å; W297-L323 WeakPolarHBondContact O-CD2 3.44Å; W297-K324 PolarHBondContact O-N 3.42Å
298	D	98.9	Very high	97.5	Very high	16 Å²	16	35 Å²	35	9%	0.086	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	-34.4	173.4	-57.4	-78.6	0	0	0	110.4	F183 V193 N194 K324 G327 I328	F183-D298 HydrophobicContact CE1-CB 4.14Å; F183-D298 HydrophobicContact CZ-CB 4.11Å; V193-D298 HydrophobicContact CG1-CB 3.91Å; N194-D298 PolarHBondContact N-OD2 3.48Å; N194-D298 PolarHBondContact O-N 3.08Å; D298-K324 WeakPolarHBondContact OD1-CD 3.5Å; D298-K324 IonicContact OD1-NZ 2.8Å; D298-K324 PolarHBondContact OD1-NZ 3.12Å; D298-K324 IonicContact OD2-NZ 2.89Å; D298-K324 PolarHBondContact OD2-NZ 3.04Å; D298-G327 CarbonylContact O-C 3.57Å; D298-G327 VanDerWaalsContact O-CA 3.23Å; D298-G327 WeakPolarHBondContact O-CA 3.39Å; D298-I328 PolarHBondContact O-N 2.91Å
299	C	98.9	Very high	97.6	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	141.2	178	-174.2	0	0	0	0	112.1	F183 N194 I195 L196 I328	F183-C299 HydrophobicContact CE2-CB 3.77Å; F183-C299 HydrophobicContact CZ-CB 4.23Å; N194-C299 PolarHBondContact O-N 3.46Å; N194-C299 VanDerWaalsContact O-N 3.17Å; I195-C299 WeakPolarHBondContact CA-O 3.36Å; I195-C299 HydrophobicContact CB-CB 4.38Å; I195-C299 HydrophobicContact CD1-CB 4.36Å; I195-C299 HydrophobicContact CG1-CB 3.98Å; I195-C299 HydrophobicContact CG2-CB 4.07Å; L196-C299 PolarHBondContact N-O 3.23Å; C299-I328 CarbonylContact C-O 3.53Å; C299-I328 VanDerWaalsContact CA-O 3.26Å; C299-I328 WeakPolarHBondContact CA-O 3.46Å; C299-I328 HydrophobicContact CB-CG1 4.11Å
300	I	98.9	Very high	97.8	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	128.9	164.1	-61	173.3	0	0	0	108	L196 P198 W297 T302 I319 I322 L323 I328 W329 I330	L196-I300 HydrophobicContact CB-CG1 4.33Å; L196-I300 WeakPolarHBondContact O-CA 3.32Å; P198-I300 HydrophobicContact CG-CG2 3.85Å; W297-I300 HydrophobicContact CB-CG1 4.2Å; I300-T302 HydrophobicContact CG2-CG2 4.2Å; I300-I319 HydrophobicContact CD1-CB 4.2Å; I300-I319 HydrophobicContact CD1-CG1 4.16Å; I300-I319 HydrophobicContact CD1-CG2 3.97Å; I300-I319 HydrophobicContact CG2-CG1 4.38Å; I300-I322 HydrophobicContact CD1-CD1 3.69Å; I300-I322 HydrophobicContact CD1-CG1 3.56Å; I300-L323 HydrophobicContact CB-CD2 4.47Å; I300-L323 HydrophobicContact CD1-CD1 4.46Å; I300-L323 HydrophobicContact CD1-CD2 4.01Å; I300-L323 HydrophobicContact CD1-CG 3.75Å; I300-L323 HydrophobicContact CG1-CD2 3.83Å; I300-L323 HydrophobicContact CG1-CG 4.15Å; I300-I328 PolarHBondContact N-O 3.31Å; I300-W329 WeakPolarHBondContact O-CA 3.27Å; I300-I330 PolarHBondContact O-N 3.05Å
301	A	98.9	Very high	98	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	108.5	179.2	0	0	0	0	0	110.6	I175 L196 V197 I330	I175-A301 HydrophobicContact CG2-CB 3.82Å; L196-A301 PolarHBondContact O-N 2.98Å; V197-A301 HydrophobicContact CG2-CB 4.43Å; A301-I330 CarbonylContact C-O 3.58Å; A301-I330 WeakPolarHBondContact CA-O 3.41Å
302	T	98.9	Very high	98.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	126.6	177.3	54.7	0	0	0	0	110.2	P198 I300 F305 I306 I319 W329 I330 N331 L332	P198-T302 HydrophobicContact CG-CG2 4.2Å; I300-T302 HydrophobicContact CG2-CG2 4.2Å; T302-F305 HydrophobicContact CG2-CD1 3.62Å; T302-F305 HydrophobicContact CG2-CE1 4.3Å; T302-F305 HydrophobicContact CG2-CG 4.47Å; T302-I306 HydrophobicContact CG2-CG2 4.27Å; T302-I319 HydrophobicContact CG2-CD1 4.3Å; T302-W329 PolarHBondContact OG1-NE1 3.42Å; T302-I330 PolarHBondContact N-O 3Å; T302-I330 PolarHBondContact OG1-O 3.04Å; T302-N331 CarbonylContact O-C 3.52Å; T302-N331 WeakPolarHBondContact O-CA 3.34Å; T302-N331 WeakPolarHBondContact OG1-CA 3.47Å; T302-N331 WeakPolarHBondContact OG1-CB 3.37Å; T302-N331 PolarHBondContact OG1-OD1 3.14Å; T302-L332 PolarHBondContact O-N 3.34Å
303	C	98.9	Very high	98.4	Very high	17 Å²	17	30.1 Å²	30.1	12%	0.115	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	109.8	179.9	-178	0	0	0	0	110.1	I175 L205 F305 L332	I175-C303 HydrophobicContact CD1-CB 3.65Å; L205-C303 HydrophobicContact CD2-CB 3.85Å; C303-F305 VanDerWaalsContact C-N 3.31Å; C303-F305 PolarHBondContact O-N 3.05Å; C303-L332 CarbonylContact C-O 3.56Å; C303-L332 VanDerWaalsContact CA-O 3.25Å; C303-L332 WeakPolarHBondContact CA-O 3.48Å
304	F	98.8	Very high	98.5	Very high	24 Å²	24	26.5 Å²	26.5	11%	0.105	14%	0.144	C	C	.	.	S	Bend	trans	52.2	49.2	-173.8	-75.3	-116.5	0	0	0	111.9	C171 L332 P334 Y377 Y389 C391	C171-F304 VanDerWaalsContact SG-CE2 3.6Å; F304-L332 HydrophobicContact CD2-CD2 4.4Å; F304-L332 HydrophobicContact CE2-CD2 3.96Å; F304-L332 PolarHBondContact N-O 3.31Å; F304-P334 VanDerWaalsContact CD1-CD 3.41Å; F304-P334 HydrophobicContact CD1-CG 3.81Å; F304-P334 VanDerWaalsContact CE1-CD 3.44Å; F304-P334 HydrophobicContact CE1-CG 3.71Å; F304-P334 HydrophobicContact CZ-CG 4.38Å; F304-Y377 HydrophobicContact CB-CD2 4.42Å; F304-Y377 HydrophobicContact CB-CE2 3.98Å; F304-Y377 AromaticContact CD1-CD2 3.39Å; F304-Y377 HydrophobicContact CD1-CD2 3.39Å; F304-Y377 AromaticContact CD1-CE2 3.79Å; F304-Y377 HydrophobicContact CD1-CE2 3.79Å; F304-Y377 HydrophobicContact CD1-CG 4.19Å; F304-Y377 AromaticContact CE1-CD2 3.62Å; F304-Y377 HydrophobicContact CE1-CD2 3.62Å; F304-Y377 HydrophobicContact CE1-CE2 4.45Å; F304-Y377 HydrophobicContact CE1-CG 4.18Å; F304-Y377 AromaticContact CG-CD2 3.9Å; F304-Y377 HydrophobicContact CG-CD2 3.9Å; F304-Y377 AromaticContact CG-CE2 3.96Å; F304-Y377 HydrophobicContact CG-CE2 3.96Å; F304-Y377 HydrophobicContact CZ-CD2 4.31Å; F304-Y389 AromaticContact CE1-CD2 3.91Å; F304-Y389 HydrophobicContact CE1-CD2 3.91Å; F304-Y389 HydrophobicContact CE1-CE2 4.29Å; F304-Y389 HydrophobicContact CE1-CG 4.09Å; F304-Y389 HydrophobicContact CZ-CD2 4.27Å; F304-Y389 HydrophobicContact CZ-CG 4.4Å; F304-C391 WeakPolarHBondContact CZ-SG 3.43Å
305	F	98.8	Very high	98.5	Very high	13 Å²	13	24.2 Å²	24.2	6%	0.057	13%	0.126	C	C	.	.			trans	-127.7	-42.6	-171.7	172.9	-104.9	0	0	0	113.9	P198 F287 T302 C303 D307 T308 Y315	P198-F305 HydrophobicContact CB-CD1 3.89Å; P198-F305 HydrophobicContact CB-CD2 4.39Å; P198-F305 HydrophobicContact CB-CE1 3.47Å; P198-F305 VanDerWaalsContact CB-CE1 3.47Å; P198-F305 HydrophobicContact CB-CE2 4.01Å; P198-F305 HydrophobicContact CB-CG 4.32Å; P198-F305 HydrophobicContact CB-CZ 3.53Å; P198-F305 HydrophobicContact CG-CE1 4.35Å; F287-F305 HydrophobicContact CB-CZ 4.05Å; F287-F305 HydrophobicContact CD1-CE1 4.19Å; F287-F305 HydrophobicContact CD1-CZ 4.05Å; F287-F305 HydrophobicContact CG-CE1 4.5Å; F287-F305 HydrophobicContact CG-CZ 4.08Å; T302-F305 HydrophobicContact CG2-CD1 3.62Å; T302-F305 HydrophobicContact CG2-CE1 4.3Å; T302-F305 HydrophobicContact CG2-CG 4.47Å; C303-F305 VanDerWaalsContact C-N 3.31Å; C303-F305 PolarHBondContact O-N 3.05Å; F305-D307 PolarHBondContact O-N 3.38Å; F305-D307 VanDerWaalsContact O-N 3.1Å; F305-T308 WeakPolarHBondContact O-CB 3.24Å; F305-T308 WeakPolarHBondContact O-CG2 3.35Å; F305-T308 PolarHBondContact O-N 2.92Å; F305-T308 PolarHBondContact O-OG1 3Å; F305-Y315 HydrophobicContact CD1-CD2 4.08Å; F305-Y315 AromaticContact CD1-CE2 3.98Å; F305-Y315 HydrophobicContact CD1-CE2 3.98Å; F305-Y315 AromaticContact CE1-CD2 3.46Å; F305-Y315 HydrophobicContact CE1-CD2 3.46Å; F305-Y315 VanDerWaalsContact CE1-CD2 3.46Å; F305-Y315 AromaticContact CE1-CE2 3.32Å; F305-Y315 HydrophobicContact CE1-CE2 3.32Å; F305-Y315 HydrophobicContact CE1-CG 4.37Å; F305-Y315 AromaticContact CE2-CE2 3.97Å; F305-Y315 HydrophobicContact CE2-CE2 3.97Å; F305-Y315 AromaticContact CZ-CD2 3.94Å; F305-Y315 HydrophobicContact CZ-CD2 3.94Å; F305-Y315 AromaticContact CZ-CE2 3.32Å; F305-Y315 HydrophobicContact CZ-CE2 3.32Å; F305-Y315 AromaticContact CZ-CZ 3.72Å
306	I	98.8	Very high	98.5	Very high	3 Å²	3	20.6 Å²	20.6	2%	0.015	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-66.3	-21.8	-168.8	60.9	172	0	0	0	114.2	T302 T308 V312 W329 L335 I355	T302-I306 HydrophobicContact CG2-CG2 4.27Å; I306-T308 PolarHBondContact O-N 3.44Å; I306-V312 HydrophobicContact CB-CG2 4.18Å; I306-W329 HydrophobicContact CG2-CZ2 3.98Å; I306-L335 HydrophobicContact CD1-CD2 4.15Å; I306-L335 HydrophobicContact CG1-CD2 4.38Å; I306-I355 HydrophobicContact CD1-CD1 4.42Å
307	D	98.4	Very high	98.5	Very high	11 Å²	11	21.6 Å²	21.6	6%	0.059	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-80.7	-0.2	174	56.1	-12.9	0	0	0	113.4	F305 A309 L336 Y337 H338	F305-D307 PolarHBondContact O-N 3.38Å; F305-D307 VanDerWaalsContact O-N 3.1Å; D307-A309 VanDerWaalsContact C-N 3.31Å; D307-L336 PolarHBondContact OD2-N 3.04Å; D307-Y337 WeakPolarHBondContact O-CA 3.37Å; D307-H338 PolarHBondContact O-N 3.29Å
308	T	97.7	Very high	98.5	Very high	49 Å²	49	20.7 Å²	20.7	30%	0.301	11%	0.108	S	C	.	.	G	3₁₀ helix	trans	-86.6	0.1	169	78.1	0	0	0	0	113.2	F305 I306 Y315 F339	F305-T308 WeakPolarHBondContact O-CB 3.24Å; F305-T308 WeakPolarHBondContact O-CG2 3.35Å; F305-T308 PolarHBondContact O-N 2.92Å; F305-T308 PolarHBondContact O-OG1 3Å; I306-T308 PolarHBondContact O-N 3.44Å; T308-Y315 PolarHBondContact OG1-OH 3.47Å; T308-F339 VanDerWaalsContact O-CE2 3.29Å; T308-F339 WeakPolarHBondContact O-CE2 3.46Å
309	A	96.7	Very high	98.5	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.008	10%	0.104	C	C	.	.			trans	-77.3	143.1	179.4	0	0	0	0	0	111.7	D307 N311 V312 Y315	D307-A309 VanDerWaalsContact C-N 3.31Å; A309-N311 VanDerWaalsContact C-N 3.28Å; A309-V312 HydrophobicContact CB-CB 4.29Å; A309-Y315 HydrophobicContact CB-CD1 3.96Å; A309-Y315 HydrophobicContact CB-CD2 3.7Å; A309-Y315 HydrophobicContact CB-CE1 3.9Å; A309-Y315 HydrophobicContact CB-CE2 3.63Å; A309-Y315 HydrophobicContact CB-CG 3.87Å
310	H	96.8	Very high	98.5	Very high	74 Å²	74	23 Å²	23	34%	0.343	12%	0.115	S	C	.	.	S	Bend	trans	-63.1	-40.6	160.6	-73.2	-70.2	0	0	0	111	F339 E345 L346 S347 I348	H310-F339 AromaticContact CD2-CE2 3.91Å; H310-F339 AromaticContact CE1-CD1 3.47Å; H310-F339 VanDerWaalsContact CE1-CD1 3.47Å; H310-F339 WeakPolarHBondContact CE1-CD1 3.32Å; H310-F339 AromaticContact CE1-CD2 3.75Å; H310-F339 AromaticContact CE1-CE1 3.28Å; H310-F339 WeakPolarHBondContact CE1-CE1 3.29Å; H310-F339 AromaticContact CE1-CE2 3.52Å; H310-F339 AromaticContact CE1-CG 3.73Å; H310-F339 AromaticContact CE1-CZ 3.3Å; H310-F339 WeakPolarHBondContact CE1-CZ 3.33Å; H310-F339 AromaticContact CG-CD2 3.99Å; H310-F339 AromaticContact CG-CE2 3.88Å; H310-F339 AromaticContact ND1-CD1 3.85Å; H310-F339 AromaticContact ND1-CD2 3.5Å; H310-F339 WeakPolarHBondContact ND1-CD2 3.49Å; H310-F339 AromaticContact ND1-CE2 3.63Å; H310-F339 AromaticContact ND1-CG 3.61Å; H310-F339 AromaticContact ND1-CZ 3.91Å; H310-F339 AromaticContact NE2-CE1 3.78Å; H310-F339 AromaticContact NE2-CE2 3.69Å; H310-F339 AromaticContact NE2-CZ 3.4Å; H310-F339 WeakPolarHBondContact NE2-CZ 3.47Å; H310-E345 IonicContact CE1-OE2 3.85Å; H310-E345 PolarHBondContact CE1-OE2 3.44Å; H310-E345 IonicContact ND1-OE2 2.91Å; H310-L346 WeakPolarHBondContact CA-O 3.34Å; H310-L346 HydrophobicContact CB-CB 4.26Å; H310-L346 HydrophobicContact CB-CD2 4.36Å; H310-L346 HydrophobicContact CB-CG 4.34Å; H310-L346 WeakPolarHBondContact CB-O 3.45Å; H310-L346 PolarHBondContact ND1-O 3.25Å; H310-S347 CarbonylContact O-C 3.46Å; H310-S347 VanDerWaalsContact O-CA 3.25Å; H310-S347 WeakPolarHBondContact O-CA 3.31Å; H310-I348 PolarHBondContact O-N 2.8Å
311	N	98.2	Very high	98.5	Very high	27 Å²	27	26.5 Å²	26.5	14%	0.144	13%	0.129	C	C	.	.	B	Isolated β-bridge	trans	-137.8	107.8	173.9	171.2	20.7	0	0	0	108.6	A309 I313 D314 L346 I348	A309-N311 VanDerWaalsContact C-N 3.28Å; N311-I313 PolarHBondContact O-N 3.11Å; N311-I313 VanDerWaalsContact O-N 3.12Å; N311-I313 WeakPolarHBondContact OD1-CB 3.33Å; N311-I313 WeakPolarHBondContact OD1-CG1 3.34Å; N311-I313 PolarHBondContact OD1-N 3.46Å; N311-I313 VanDerWaalsContact OD1-N 3.15Å; N311-D314 WeakPolarHBondContact CB-OD2 3.31Å; N311-D314 PolarHBondContact ND2-OD1 3.39Å; N311-D314 VanDerWaalsContact ND2-OD1 3.08Å; N311-D314 PolarHBondContact ND2-OD2 3.41Å; N311-D314 PolarHBondContact O-N 2.98Å; N311-L346 HydrophobicContact CB-CD2 4.49Å; N311-I348 HydrophobicContact CB-CB 4.48Å; N311-I348 HydrophobicContact CB-CG1 3.99Å
312	V	98.6	Very high	98.5	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.006	13%	0.129	C	C	.	.	H	α-helix	trans	-61.5	-22.8	-176.9	67	0	0	0	0	112.8	I306 A309 D314 Y315 I316 Y337 L350 I355	I306-V312 HydrophobicContact CB-CG2 4.18Å; A309-V312 HydrophobicContact CB-CB 4.29Å; V312-D314 VanDerWaalsContact C-N 3.29Å; V312-D314 PolarHBondContact O-N 3.39Å; V312-Y315 WeakPolarHBondContact O-CB 3.35Å; V312-Y315 PolarHBondContact O-N 3.22Å; V312-I316 WeakPolarHBondContact O-CG1 3.39Å; V312-I316 PolarHBondContact O-N 2.93Å; V312-Y337 HydrophobicContact CB-CE1 4.39Å; V312-Y337 HydrophobicContact CG1-CE1 4.48Å; V312-L350 HydrophobicContact CG1-CB 4.35Å; V312-L350 HydrophobicContact CG1-CD1 3.66Å; V312-L350 HydrophobicContact CG1-CG 3.96Å; V312-I355 HydrophobicContact CG1-CG1 4.41Å; V312-I355 HydrophobicContact CG2-CD1 4.46Å
313	I	98.8	Very high	98.5	Very high	54 Å²	54	26.5 Å²	26.5	28%	0.277	13%	0.129	S	C	.	.	H	α-helix	trans	-65.9	-34.8	177.1	-54.4	172.6	0	0	0	110.7	N311 Y315 I316 D317 L350 V358 Y362	N311-I313 PolarHBondContact O-N 3.11Å; N311-I313 VanDerWaalsContact O-N 3.12Å; N311-I313 WeakPolarHBondContact OD1-CB 3.33Å; N311-I313 WeakPolarHBondContact OD1-CG1 3.34Å; N311-I313 PolarHBondContact OD1-N 3.46Å; N311-I313 VanDerWaalsContact OD1-N 3.15Å; I313-Y315 VanDerWaalsContact C-N 3.31Å; I313-Y315 PolarHBondContact O-N 2.8Å; I313-I316 PolarHBondContact O-N 2.95Å; I313-D317 PolarHBondContact O-N 3.5Å; I313-L350 HydrophobicContact CD1-CD1 4.33Å; I313-L350 HydrophobicContact CG1-CD1 4.05Å; I313-V358 HydrophobicContact CG1-CG1 4.47Å; I313-V358 HydrophobicContact CG2-CG1 4.24Å; I313-Y362 HydrophobicContact CG2-CE2 4.46Å
314	D	98.6	Very high	98.5	Very high	69 Å²	69	28.4 Å²	28.4	37%	0.369	14%	0.135	S	C	.	.	H	α-helix	trans	-70.2	-31.1	178.8	-57.6	-33.4	0	0	0	111.6	N311 V312 T318	N311-D314 WeakPolarHBondContact CB-OD2 3.31Å; N311-D314 PolarHBondContact ND2-OD1 3.39Å; N311-D314 VanDerWaalsContact ND2-OD1 3.08Å; N311-D314 PolarHBondContact ND2-OD2 3.41Å; N311-D314 PolarHBondContact O-N 2.98Å; V312-D314 VanDerWaalsContact C-N 3.29Å; V312-D314 PolarHBondContact O-N 3.39Å; D314-T318 WeakPolarHBondContact O-CB 3.43Å; D314-T318 PolarHBondContact O-N 3.49Å; D314-T318 PolarHBondContact O-OG1 3.21Å
315	Y	98.8	Very high	98.5	Very high	18 Å²	18	30.3 Å²	30.3	7%	0.071	15%	0.15	C	C	.	.	H	α-helix	trans	-65.9	-46.1	169.2	-78.7	16.5	0	0	0	111	F287 Q288 F305 T308 A309 V312 I313 D317 T318 I319	F287-Y315 HydrophobicContact CD1-CD1 4.25Å; F287-Y315 HydrophobicContact CD1-CE1 4.4Å; Q288-Y315 HydrophobicContact CG-CD1 3.85Å; Q288-Y315 HydrophobicContact CG-CE1 3.86Å; F305-Y315 HydrophobicContact CD1-CD2 4.08Å; F305-Y315 AromaticContact CD1-CE2 3.98Å; F305-Y315 HydrophobicContact CD1-CE2 3.98Å; F305-Y315 AromaticContact CE1-CD2 3.46Å; F305-Y315 HydrophobicContact CE1-CD2 3.46Å; F305-Y315 VanDerWaalsContact CE1-CD2 3.46Å; F305-Y315 AromaticContact CE1-CE2 3.32Å; F305-Y315 HydrophobicContact CE1-CE2 3.32Å; F305-Y315 HydrophobicContact CE1-CG 4.37Å; F305-Y315 AromaticContact CE2-CE2 3.97Å; F305-Y315 HydrophobicContact CE2-CE2 3.97Å; F305-Y315 AromaticContact CZ-CD2 3.94Å; F305-Y315 HydrophobicContact CZ-CD2 3.94Å; F305-Y315 AromaticContact CZ-CE2 3.32Å; F305-Y315 HydrophobicContact CZ-CE2 3.32Å; F305-Y315 AromaticContact CZ-CZ 3.72Å; T308-Y315 PolarHBondContact OG1-OH 3.47Å; A309-Y315 HydrophobicContact CB-CD1 3.96Å; A309-Y315 HydrophobicContact CB-CD2 3.7Å; A309-Y315 HydrophobicContact CB-CE1 3.9Å; A309-Y315 HydrophobicContact CB-CE2 3.63Å; A309-Y315 HydrophobicContact CB-CG 3.87Å; V312-Y315 WeakPolarHBondContact O-CB 3.35Å; V312-Y315 PolarHBondContact O-N 3.22Å; I313-Y315 VanDerWaalsContact C-N 3.31Å; I313-Y315 PolarHBondContact O-N 2.8Å; Y315-D317 VanDerWaalsContact C-N 3.31Å; Y315-D317 PolarHBondContact O-N 2.71Å; Y315-T318 PolarHBondContact O-N 3.48Å; Y315-I319 WeakPolarHBondContact O-CB 3.32Å; Y315-I319 WeakPolarHBondContact O-CG1 3.5Å; Y315-I319 PolarHBondContact O-N 3.18Å
316	I	98.9	Very high	98.5	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-59.4	-43.4	177	-64.9	165.9	0	0	0	110.7	V312 I313 I319 W320 W329 I355 V358 V359 Y362 F364	V312-I316 WeakPolarHBondContact O-CG1 3.39Å; V312-I316 PolarHBondContact O-N 2.93Å; I313-I316 PolarHBondContact O-N 2.95Å; I316-I319 PolarHBondContact O-N 3Å; I316-W320 WeakPolarHBondContact O-CB 3.5Å; I316-W320 PolarHBondContact O-N 2.93Å; I316-W329 HydrophobicContact CG1-CH2 4Å; I316-W329 HydrophobicContact CG1-CZ3 4.19Å; I316-I355 HydrophobicContact CD1-CG2 4.39Å; I316-V358 HydrophobicContact CD1-CB 4.31Å; I316-V358 HydrophobicContact CD1-CG1 3.83Å; I316-V358 HydrophobicContact CG2-CG1 4.37Å; I316-V359 HydrophobicContact CD1-CG2 3.97Å; I316-V359 HydrophobicContact CG1-CG2 4.28Å; I316-V359 HydrophobicContact CG2-CG2 4.18Å; I316-Y362 HydrophobicContact CG2-CD2 3.9Å; I316-Y362 HydrophobicContact CG2-CE2 4.16Å; I316-Y362 HydrophobicContact CG2-CG 4.22Å; I316-F364 HydrophobicContact CG2-CE2 4.45Å
317	D	98.8	Very high	98.5	Very high	52 Å²	52	30.5 Å²	30.5	28%	0.278	16%	0.156	S	C	.	.	H	α-helix	trans	-59.4	-48.6	176.5	-173	71.7	0	0	0	112.2	I313 Y315 W320 R321 Y362	I313-D317 PolarHBondContact O-N 3.5Å; Y315-D317 VanDerWaalsContact C-N 3.31Å; Y315-D317 PolarHBondContact O-N 2.71Å; D317-W320 PolarHBondContact O-N 3.27Å; D317-R321 WeakPolarHBondContact O-CB 3.47Å; D317-R321 PolarHBondContact O-N 3.5Å; D317-R321 IonicContact OD2-CZ 2.78Å; D317-R321 IonicContact OD2-NH1 2.7Å; D317-R321 PolarHBondContact OD2-NH1 3.14Å; D317-Y362 HydrophobicContact CB-CE1 4.22Å; D317-Y362 WeakPolarHBondContact CB-OH 3.47Å; D317-Y362 WeakPolarHBondContact OD1-CE1 3.35Å; D317-Y362 PolarHBondContact OD1-OH 3.32Å
318	T	98.8	Very high	98.5	Very high	4 Å²	4	30 Å²	30	3%	0.025	15%	0.153	C	C	.	.	H	α-helix	trans	-62.6	-47	179.5	-62.6	0	0	0	0	110.9	F287 D314 Y315 W320 R321 I322	F287-T318 HydrophobicContact CD1-CG2 4.28Å; F287-T318 HydrophobicContact CE1-CG2 3.57Å; F287-T318 HydrophobicContact CE2-CG2 4.25Å; F287-T318 HydrophobicContact CZ-CG2 3.54Å; D314-T318 WeakPolarHBondContact O-CB 3.43Å; D314-T318 PolarHBondContact O-N 3.49Å; D314-T318 PolarHBondContact O-OG1 3.21Å; Y315-T318 PolarHBondContact O-N 3.48Å; T318-W320 VanDerWaalsContact C-N 3.35Å; T318-W320 PolarHBondContact O-N 3.14Å; T318-R321 PolarHBondContact O-N 2.86Å; T318-R321 PolarHBondContact OG1-NH2 2.84Å; T318-R321 VanDerWaalsContact OG1-NH2 3.15Å; T318-I322 HydrophobicContact CG2-CD1 4.3Å; T318-I322 HydrophobicContact CG2-CG2 4.4Å; T318-I322 WeakPolarHBondContact O-CG1 3.48Å; T318-I322 WeakPolarHBondContact O-CG2 3.23Å; T318-I322 PolarHBondContact O-N 2.87Å
319	I	98.9	Very high	98.6	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-57.3	-47.7	176.4	-70.7	170.9	0	0	0	110.5	F287 I300 T302 Y315 I316 R321 L323 W329 F364	F287-I319 HydrophobicContact CE1-CG1 4.21Å; F287-I319 HydrophobicContact CZ-CG1 3.84Å; I300-I319 HydrophobicContact CD1-CB 4.2Å; I300-I319 HydrophobicContact CD1-CG1 4.16Å; I300-I319 HydrophobicContact CD1-CG2 3.97Å; I300-I319 HydrophobicContact CG2-CG1 4.38Å; T302-I319 HydrophobicContact CG2-CD1 4.3Å; Y315-I319 WeakPolarHBondContact O-CB 3.32Å; Y315-I319 WeakPolarHBondContact O-CG1 3.5Å; Y315-I319 PolarHBondContact O-N 3.18Å; I316-I319 PolarHBondContact O-N 3Å; I319-R321 PolarHBondContact O-N 3.37Å; I319-L323 HydrophobicContact CG2-CD1 3.88Å; I319-L323 WeakPolarHBondContact O-CB 3.39Å; I319-L323 VanDerWaalsContact O-CG 3.3Å; I319-L323 WeakPolarHBondContact O-CG 3.44Å; I319-L323 PolarHBondContact O-N 2.88Å; I319-L323 VanDerWaalsContact O-N 3.09Å; I319-W329 HydrophobicContact CD1-CD2 4.03Å; I319-W329 HydrophobicContact CD1-CE3 4.47Å; I319-W329 HydrophobicContact CD1-CG 4.47Å; I319-W329 HydrophobicContact CD1-CH2 4.35Å; I319-W329 HydrophobicContact CD1-CZ2 3.92Å; I319-W329 HydrophobicContact CG2-CB 3.81Å; I319-W329 HydrophobicContact CG2-CD2 3.77Å; I319-W329 HydrophobicContact CG2-CE3 3.87Å; I319-W329 HydrophobicContact CG2-CG 3.74Å; I319-F364 HydrophobicContact CG2-CZ 4.05Å
320	W	98.8	Very high	98.7	Very high	64 Å²	64	27.6 Å²	27.6	24%	0.242	14%	0.139	C	C	.	.	H	α-helix	trans	-58.8	-45.9	176.6	173.1	-96.1	0	0	0	112.3	I316 D317 T318 Y362 F364 K398	I316-W320 WeakPolarHBondContact O-CB 3.5Å; I316-W320 PolarHBondContact O-N 2.93Å; D317-W320 PolarHBondContact O-N 3.27Å; T318-W320 VanDerWaalsContact C-N 3.35Å; T318-W320 PolarHBondContact O-N 3.14Å; W320-Y362 HydrophobicContact CB-CD1 3.8Å; W320-Y362 HydrophobicContact CB-CE1 4.19Å; W320-Y362 AromaticContact CD1-CD1 3.9Å; W320-Y362 HydrophobicContact CD2-CD1 4.03Å; W320-Y362 AromaticContact CG-CD1 3.63Å; W320-Y362 HydrophobicContact CG-CD1 3.63Å; W320-Y362 HydrophobicContact CG-CE1 4.22Å; W320-Y362 WeakPolarHBondContact CH2-O 3.47Å; W320-Y362 VanDerWaalsContact CZ2-O 3.28Å; W320-Y362 WeakPolarHBondContact CZ2-O 3.5Å; W320-Y362 WeakPolarHBondContact CZ3-O 3.42Å; W320-F364 HydrophobicContact CB-CE2 3.91Å; W320-F364 HydrophobicContact CB-CZ 4Å; W320-F364 HydrophobicContact CD2-CE2 4.36Å; W320-F364 HydrophobicContact CD2-CZ 4.48Å; W320-F364 HydrophobicContact CE3-CD1 4.11Å; W320-F364 AromaticContact CE3-CD2 3.69Å; W320-F364 HydrophobicContact CE3-CD2 3.69Å; W320-F364 AromaticContact CE3-CE1 3.95Å; W320-F364 HydrophobicContact CE3-CE1 3.95Å; W320-F364 AromaticContact CE3-CE2 3.56Å; W320-F364 HydrophobicContact CE3-CE2 3.56Å; W320-F364 AromaticContact CE3-CG 3.98Å; W320-F364 HydrophobicContact CE3-CG 3.98Å; W320-F364 AromaticContact CE3-CZ 3.68Å; W320-F364 HydrophobicContact CE3-CZ 3.68Å; W320-F364 HydrophobicContact CZ3-CD1 4.24Å; W320-F364 HydrophobicContact CZ3-CD2 4.18Å; W320-F364 HydrophobicContact CZ3-CE1 4.47Å; W320-F364 HydrophobicContact CZ3-CE2 4.44Å; W320-F364 HydrophobicContact CZ3-CG 4.08Å; W320-K398 HydrophobicContact CD2-CD 4.42Å; W320-K398 HydrophobicContact CE3-CB 4.49Å; W320-K398 HydrophobicContact CE3-CD 4.37Å; W320-K398 HydrophobicContact CE3-CG 4.08Å; W320-K398 HydrophobicContact CH2-CG 4.08Å; W320-K398 HydrophobicContact CZ3-CB 4.31Å; W320-K398 HydrophobicContact CZ3-CG 3.85Å; W320-K398 WeakPolarHBondContact O-CD 3.32Å; W320-K398 WeakPolarHBondContact O-CE 3.5Å; W320-K398 PolarHBondContact O-NZ 3.08Å
321	R	98.7	Very high	98.8	Very high	75 Å²	75	24.1 Å²	24.1	28%	0.283	12%	0.123	S	C	.	.	H	α-helix	trans	-63.5	-47.5	-177.7	-179.5	173.9	59.3	-110.6	-2.6	112	C294 N295 D317 T318 I319	C294-R321 VanDerWaalsContact CA-O 3.29Å; C294-R321 WeakPolarHBondContact CA-O 3.47Å; C294-R321 HydrophobicContact CB-CG 4.2Å; C294-R321 WeakPolarHBondContact SG-CG 3.41Å; N295-R321 PolarHBondContact N-O 3.24Å; D317-R321 WeakPolarHBondContact O-CB 3.47Å; D317-R321 PolarHBondContact O-N 3.5Å; D317-R321 IonicContact OD2-CZ 2.78Å; D317-R321 IonicContact OD2-NH1 2.7Å; D317-R321 PolarHBondContact OD2-NH1 3.14Å; T318-R321 PolarHBondContact O-N 2.86Å; T318-R321 PolarHBondContact OG1-NH2 2.84Å; T318-R321 VanDerWaalsContact OG1-NH2 3.15Å; I319-R321 PolarHBondContact O-N 3.37Å
322	I	98.8	Very high	98.8	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-87.2	-16	-170.7	75.9	-177.7	0	0	0	113.6	L196 F287 Y291 N295 T296 W297 I300 T318	L196-I322 HydrophobicContact CD2-CD1 3.9Å; F287-I322 HydrophobicContact CE2-CD1 3.87Å; F287-I322 HydrophobicContact CZ-CD1 4.06Å; Y291-I322 HydrophobicContact CG-CD1 4.34Å; Y291-I322 VanDerWaalsContact O-CG2 3.26Å; Y291-I322 WeakPolarHBondContact O-CG2 3.27Å; N295-I322 PolarHBondContact N-O 3.05Å; T296-I322 PolarHBondContact N-O 3.35Å; W297-I322 PolarHBondContact N-O 3.24Å; I300-I322 HydrophobicContact CD1-CD1 3.69Å; I300-I322 HydrophobicContact CD1-CG1 3.56Å; T318-I322 HydrophobicContact CG2-CD1 4.3Å; T318-I322 HydrophobicContact CG2-CG2 4.4Å; T318-I322 WeakPolarHBondContact O-CG1 3.48Å; T318-I322 WeakPolarHBondContact O-CG2 3.23Å; T318-I322 PolarHBondContact O-N 2.87Å
323	L	98.9	Very high	98.8	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	135.9	169.5	-82.6	173.1	0	0	0	111.3	N295 W297 I300 I319 I328 W329 F364 K398	N295-L323 WeakPolarHBondContact CA-O 3.44Å; N295-L323 PolarHBondContact OD1-O 3.44Å; W297-L323 HydrophobicContact CB-CD2 4.41Å; W297-L323 WeakPolarHBondContact O-CD2 3.44Å; I300-L323 HydrophobicContact CB-CD2 4.47Å; I300-L323 HydrophobicContact CD1-CD1 4.46Å; I300-L323 HydrophobicContact CD1-CD2 4.01Å; I300-L323 HydrophobicContact CD1-CG 3.75Å; I300-L323 HydrophobicContact CG1-CD2 3.83Å; I300-L323 HydrophobicContact CG1-CG 4.15Å; I319-L323 HydrophobicContact CG2-CD1 3.88Å; I319-L323 WeakPolarHBondContact O-CB 3.39Å; I319-L323 VanDerWaalsContact O-CG 3.3Å; I319-L323 WeakPolarHBondContact O-CG 3.44Å; I319-L323 PolarHBondContact O-N 2.88Å; I319-L323 VanDerWaalsContact O-N 3.09Å; L323-I328 WeakPolarHBondContact CD2-O 3.37Å; L323-W329 HydrophobicContact CD1-CB 4Å; L323-F364 HydrophobicContact CD1-CE1 3.8Å; L323-F364 HydrophobicContact CD1-CZ 4.09Å; L323-K398 HydrophobicContact CB-CD 4.05Å; L323-K398 WeakPolarHBondContact O-CD 3.37Å; L323-K398 PolarHBondContact O-NZ 3.43Å
324	K	98.9	Very high	98.8	Very high	56 Å²	56	21 Å²	21	24%	0.243	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	150.6	166.5	-74.7	164.8	173.3	167.4	0	110.5	N295 T296 W297 D298 G326 G327	N295-K324 WeakPolarHBondContact O-CG 3.35Å; T296-K324 WeakPolarHBondContact O-CE 3.49Å; W297-K324 PolarHBondContact O-N 3.42Å; D298-K324 WeakPolarHBondContact OD1-CD 3.5Å; D298-K324 IonicContact OD1-NZ 2.8Å; D298-K324 PolarHBondContact OD1-NZ 3.12Å; D298-K324 IonicContact OD2-NZ 2.89Å; D298-K324 PolarHBondContact OD2-NZ 3.04Å; K324-G326 PolarHBondContact O-N 2.9Å; K324-G327 WeakPolarHBondContact O-CA 3.49Å; K324-G327 PolarHBondContact O-N 3.07Å
325	P	98.8	Very high	98.8	Very high	64 Å²	64	20.2 Å²	20.2	42%	0.416	10%	0.103	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.3	132.6	163.3	-20.5	32.3	0	0	0	110.2	G327 P399 Q400	P325-G327 VanDerWaalsContact C-N 3.25Å; P325-G327 PolarHBondContact O-N 2.96Å; P325-P399 WeakPolarHBondContact CA-O 3.33Å; P325-Q400 WeakPolarHBondContact CB-OXT 3.15Å
326	G	98.7	Very high	98.8	Very high	16 Å²	16	24.3 Å²	24.3	17%	0.165	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	79.9	-7.4	-170.7	0	0	0	0	0	115.6	K324 R397 K398 P399	K324-G326 PolarHBondContact O-N 2.9Å; G326-R397 PolarHBondContact O-NH1 3.16Å; G326-K398 WeakPolarHBondContact CA-O 3.45Å; G326-K398 PolarHBondContact N-O 3.41Å; G326-P399 PolarHBondContact N-O 3Å
327	G	98.8	Very high	98.8	Very high	4 Å²	4	25.1 Å²	25.1	4%	0.041	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	160.3	177.3	0	0	0	0	0	113.1	D298 K324 P325 R397 K398	D298-G327 CarbonylContact O-C 3.57Å; D298-G327 VanDerWaalsContact O-CA 3.23Å; D298-G327 WeakPolarHBondContact O-CA 3.39Å; K324-G327 WeakPolarHBondContact O-CA 3.49Å; K324-G327 PolarHBondContact O-N 3.07Å; P325-G327 VanDerWaalsContact C-N 3.25Å; P325-G327 PolarHBondContact O-N 2.96Å; G327-R397 WeakPolarHBondContact O-CA 3.42Å; G327-K398 PolarHBondContact O-N 3.25Å
328	I	98.9	Very high	98.5	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	146.2	-175.6	66.3	178.3	0	0	0	113.4	N182 F183 D298 C299 I300 L323 I330 V395 V396 R397	N182-I328 HydrophobicContact CB-CD1 3.52Å; N182-I328 VanDerWaalsContact CG-CD1 3.45Å; F183-I328 HydrophobicContact CE2-CD1 3.62Å; F183-I328 HydrophobicContact CE2-CG1 3.9Å; F183-I328 HydrophobicContact CZ-CD1 4.17Å; F183-I328 HydrophobicContact CZ-CG1 4.11Å; D298-I328 PolarHBondContact O-N 2.91Å; C299-I328 CarbonylContact C-O 3.53Å; C299-I328 VanDerWaalsContact CA-O 3.26Å; C299-I328 WeakPolarHBondContact CA-O 3.46Å; C299-I328 HydrophobicContact CB-CG1 4.11Å; I300-I328 PolarHBondContact N-O 3.31Å; L323-I328 WeakPolarHBondContact CD2-O 3.37Å; I328-I330 HydrophobicContact CD1-CD1 3.95Å; I328-I330 HydrophobicContact CD1-CG1 4.07Å; I328-I330 HydrophobicContact CG1-CG1 4.37Å; I328-V395 HydrophobicContact CB-CG1 4.33Å; I328-V395 HydrophobicContact CD1-CG1 4.35Å; I328-V396 CarbonylContact C-O 3.55Å; I328-V396 VanDerWaalsContact CA-O 3.31Å; I328-V396 WeakPolarHBondContact CA-O 3.38Å; I328-R397 HydrophobicContact CG2-CB 4.15Å; I328-R397 HydrophobicContact CG2-CG 4.12Å
329	W	98.9	Very high	98.3	Very high	1 Å²	1	28.4 Å²	28.4	0%	0.004	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	125.3	165.2	169.4	31.4	0	0	0	109.5	I300 T302 I306 I316 I319 L323 N331 V359 F364 F394 V395 V396	I300-W329 WeakPolarHBondContact O-CA 3.27Å; T302-W329 PolarHBondContact OG1-NE1 3.42Å; I306-W329 HydrophobicContact CG2-CZ2 3.98Å; I316-W329 HydrophobicContact CG1-CH2 4Å; I316-W329 HydrophobicContact CG1-CZ3 4.19Å; I319-W329 HydrophobicContact CD1-CD2 4.03Å; I319-W329 HydrophobicContact CD1-CE3 4.47Å; I319-W329 HydrophobicContact CD1-CG 4.47Å; I319-W329 HydrophobicContact CD1-CH2 4.35Å; I319-W329 HydrophobicContact CD1-CZ2 3.92Å; I319-W329 HydrophobicContact CG2-CB 3.81Å; I319-W329 HydrophobicContact CG2-CD2 3.77Å; I319-W329 HydrophobicContact CG2-CE3 3.87Å; I319-W329 HydrophobicContact CG2-CG 3.74Å; L323-W329 HydrophobicContact CD1-CB 4Å; W329-N331 HydrophobicContact CZ2-CB 4.11Å; W329-V359 HydrophobicContact CH2-CG2 4.17Å; W329-V359 HydrophobicContact CZ3-CG2 3.63Å; W329-F364 HydrophobicContact CE3-CE2 4.36Å; W329-F364 HydrophobicContact CE3-CZ 4.34Å; W329-F394 AromaticContact CD2-CE2 3.79Å; W329-F394 HydrophobicContact CD2-CE2 3.79Å; W329-F394 HydrophobicContact CD2-CZ 4.4Å; W329-F394 AromaticContact CE2-CE2 3.68Å; W329-F394 AromaticContact CE2-CZ 3.9Å; W329-F394 AromaticContact CE3-CE2 3.89Å; W329-F394 HydrophobicContact CE3-CE2 3.89Å; W329-F394 HydrophobicContact CE3-CZ 4.45Å; W329-F394 AromaticContact CH2-CE2 3.8Å; W329-F394 HydrophobicContact CH2-CE2 3.8Å; W329-F394 AromaticContact CH2-CZ 3.51Å; W329-F394 HydrophobicContact CH2-CZ 3.51Å; W329-F394 AromaticContact CZ2-CE2 3.67Å; W329-F394 HydrophobicContact CZ2-CE2 3.67Å; W329-F394 AromaticContact CZ2-CZ 3.41Å; W329-F394 HydrophobicContact CZ2-CZ 3.41Å; W329-F394 VanDerWaalsContact CZ2-CZ 3.41Å; W329-F394 AromaticContact CZ3-CE2 3.91Å; W329-F394 HydrophobicContact CZ3-CE2 3.91Å; W329-F394 HydrophobicContact CZ3-CZ 4.06Å; W329-V395 WeakPolarHBondContact O-CA 3.3Å; W329-V396 HydrophobicContact CB-CG2 3.86Å; W329-V396 HydrophobicContact CD2-CG2 4.12Å; W329-V396 HydrophobicContact CE3-CG2 3.61Å; W329-V396 HydrophobicContact CG-CG2 4.3Å; W329-V396 HydrophobicContact CZ3-CG2 4.48Å; W329-V396 PolarHBondContact N-O 3.16Å; W329-V396 PolarHBondContact O-N 3.17Å
330	I	98.9	Very high	98.1	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	124.2	174.4	-52.9	171.5	0	0	0	107.6	I175 E178 I179 I300 A301 T302 I328 L393 F394 V395	I175-I330 HydrophobicContact CB-CG2 4.33Å; I175-I330 HydrophobicContact CG1-CG2 4.2Å; I175-I330 HydrophobicContact CG2-CG2 4.04Å; E178-I330 HydrophobicContact CB-CD1 3.95Å; I179-I330 HydrophobicContact CG1-CD1 3.51Å; I300-I330 PolarHBondContact O-N 3.05Å; A301-I330 CarbonylContact C-O 3.58Å; A301-I330 WeakPolarHBondContact CA-O 3.41Å; T302-I330 PolarHBondContact N-O 3Å; T302-I330 PolarHBondContact OG1-O 3.04Å; I328-I330 HydrophobicContact CD1-CD1 3.95Å; I328-I330 HydrophobicContact CD1-CG1 4.07Å; I328-I330 HydrophobicContact CG1-CG1 4.37Å; I330-L393 HydrophobicContact CG2-CD1 4.12Å; I330-F394 WeakPolarHBondContact CA-O 3.36Å; I330-V395 HydrophobicContact CG1-CG1 4.23Å; I330-V395 HydrophobicContact CG1-CG2 4.13Å; I330-V395 HydrophobicContact CG2-CG2 4.23Å
331	N	98.9	Very high	97.8	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	138	175.8	179.2	71.4	0	0	0	110.8	T302 W329 L393 F394	T302-N331 CarbonylContact O-C 3.52Å; T302-N331 WeakPolarHBondContact O-CA 3.34Å; T302-N331 WeakPolarHBondContact OG1-CA 3.47Å; T302-N331 WeakPolarHBondContact OG1-CB 3.37Å; T302-N331 PolarHBondContact OG1-OD1 3.14Å; W329-N331 HydrophobicContact CZ2-CB 4.11Å; N331-L393 VanDerWaalsContact O-CA 3.24Å; N331-L393 WeakPolarHBondContact O-CA 3.38Å; N331-L393 WeakPolarHBondContact O-CD1 3.44Å; N331-F394 HydrophobicContact CB-CD1 4.02Å; N331-F394 HydrophobicContact CB-CD2 3.93Å; N331-F394 HydrophobicContact CB-CE1 3.54Å; N331-F394 HydrophobicContact CB-CE2 3.45Å; N331-F394 VanDerWaalsContact CB-CE2 3.45Å; N331-F394 HydrophobicContact CB-CG 4.21Å; N331-F394 HydrophobicContact CB-CZ 3.24Å; N331-F394 PolarHBondContact N-O 3.09Å; N331-F394 VanDerWaalsContact ND2-CE1 3.29Å; N331-F394 WeakPolarHBondContact ND2-CE1 3.34Å; N331-F394 PolarHBondContact O-N 3.43Å
332	L	98.9	Very high	97.4	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	117.8	164.2	-173.1	154.9	0	0	0	110.3	C171 P174 I175 T302 C303 F304 V373 C391 V392 L393	C171-L332 HydrophobicContact CB-CD2 4.22Å; P174-L332 HydrophobicContact CB-CD1 3.87Å; P174-L332 HydrophobicContact CG-CD1 4.03Å; I175-L332 HydrophobicContact CD1-CB 4.02Å; I175-L332 HydrophobicContact CG1-CB 4.03Å; T302-L332 PolarHBondContact O-N 3.34Å; C303-L332 CarbonylContact C-O 3.56Å; C303-L332 VanDerWaalsContact CA-O 3.25Å; C303-L332 WeakPolarHBondContact CA-O 3.48Å; F304-L332 HydrophobicContact CD2-CD2 4.4Å; F304-L332 HydrophobicContact CE2-CD2 3.96Å; F304-L332 PolarHBondContact N-O 3.31Å; L332-V373 HydrophobicContact CD1-CG1 4.13Å; L332-C391 HydrophobicContact CD2-CB 4.14Å; L332-C391 HydrophobicContact CG-CB 4.45Å; L332-V392 WeakPolarHBondContact CA-O 3.22Å; L332-L393 HydrophobicContact CB-CD1 4.25Å; L332-L393 HydrophobicContact CD1-CB 4.3Å; L332-L393 HydrophobicContact CD1-CD1 4.35Å
333	G	98.8	Very high	97	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.01	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.9	173	176.1	0	0	0	0	0	113.7	C391 V392	G333-C391 WeakPolarHBondContact O-CA 2.98Å; G333-C391 WeakPolarHBondContact O-CB 3.47Å; G333-V392 PolarHBondContact N-O 3.17Å; G333-V392 PolarHBondContact O-N 3.21Å
334	P	98.7	Very high	96.8	Very high	16 Å²	16	49.2 Å²	49.2	10%	0.104	27%	0.271	C	S	.	.			trans	-80.9	-168.7	166.6	37.1	-33.3	0	0	0	110.7	F304 Y389	F304-P334 VanDerWaalsContact CD1-CD 3.41Å; F304-P334 HydrophobicContact CD1-CG 3.81Å; F304-P334 VanDerWaalsContact CE1-CD 3.44Å; F304-P334 HydrophobicContact CE1-CG 3.71Å; F304-P334 HydrophobicContact CZ-CG 4.38Å; P334-Y389 HydrophobicContact CB-CD1 3.63Å; P334-Y389 HydrophobicContact CB-CE1 4.43Å; P334-Y389 HydrophobicContact CB-CG 4.22Å; P334-Y389 HydrophobicContact CG-CD1 3.7Å; P334-Y389 HydrophobicContact CG-CE1 4.2Å; P334-Y389 HydrophobicContact CG-CG 4.2Å
335	L	98.7	Very high	96.6	Very high	52 Å²	52	51.2 Å²	51.2	27%	0.272	28%	0.281	S	S	.	.			trans	-126.5	62.8	170.8	-63.2	176.2	0	0	0	110.1	I306 Y337 I355	I306-L335 HydrophobicContact CD1-CD2 4.15Å; I306-L335 HydrophobicContact CG1-CD2 4.38Å; L335-Y337 HydrophobicContact CB-CE2 4.1Å; L335-Y337 PolarHBondContact O-N 3.45Å; L335-I355 HydrophobicContact CD1-CD1 3.78Å; L335-I355 HydrophobicContact CD2-CD1 3.36Å; L335-I355 HydrophobicContact CG-CD1 4.23Å
336	L	98.3	Very high	96.4	Very high	103 Å²	103	53 Å²	53	54%	0.539	29%	0.286	S	S	.	.			trans	-96	82.7	175.7	-179	61.9	0	0	0	109.3	D307 H338 Y389	D307-L336 PolarHBondContact OD2-N 3.04Å; L336-H338 PolarHBondContact O-N 3.35Å; L336-H338 VanDerWaalsContact O-N 3.15Å; L336-Y389 HydrophobicContact CD2-CE1 4.32Å
337	Y	98.2	Very high	96.3	Very high	18 Å²	18	53.1 Å²	53.1	7%	0.071	29%	0.285	C	S	.	.			trans	-56.6	117.2	-173.9	-74.9	-81.5	0	0	0	112.6	D307 V312 L335 F339 E340 I348 E349 L350	D307-Y337 WeakPolarHBondContact O-CA 3.37Å; V312-Y337 HydrophobicContact CB-CE1 4.39Å; V312-Y337 HydrophobicContact CG1-CE1 4.48Å; L335-Y337 HydrophobicContact CB-CE2 4.1Å; L335-Y337 PolarHBondContact O-N 3.45Å; Y337-F339 PolarHBondContact O-N 3.17Å; Y337-E340 PolarHBondContact O-N 3.4Å; Y337-I348 VanDerWaalsContact CE1-O 3.27Å; Y337-I348 WeakPolarHBondContact CE1-O 3.27Å; Y337-E349 HydrophobicContact CD2-CB 3.77Å; Y337-E349 HydrophobicContact CD2-CG 3.77Å; Y337-E349 HydrophobicContact CE2-CB 3.97Å; Y337-E349 HydrophobicContact CE2-CG 4.44Å; Y337-E349 HydrophobicContact CG-CB 4.23Å; Y337-E349 HydrophobicContact CG-CG 3.83Å; Y337-L350 WeakPolarHBondContact CE2-O 3.49Å; Y337-L350 VanDerWaalsContact CZ-N 3.34Å; Y337-L350 PolarHBondContact OH-N 2.55Å; Y337-L350 PolarHBondContact OH-O 3.43Å; Y337-L350 VanDerWaalsContact OH-O 3.09Å
338	H	93.3	Very high	96.3	Very high	94 Å²	94	55.8 Å²	55.8	44%	0.435	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-29.5	-171.2	-167.9	71.6	0	0	0	113.4	D307 L336	D307-H338 PolarHBondContact O-N 3.29Å; L336-H338 PolarHBondContact O-N 3.35Å; L336-H338 VanDerWaalsContact O-N 3.15Å
339	F	94.6	Very high	96.3	Very high	31 Å²	31	59.9 Å²	59.9	14%	0.136	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	-1.5	-171.9	-59.2	-75.9	0	0	0	114.6	T308 H310 Y337 N341 L342 E345	T308-F339 VanDerWaalsContact O-CE2 3.29Å; T308-F339 WeakPolarHBondContact O-CE2 3.46Å; H310-F339 AromaticContact CD2-CE2 3.91Å; H310-F339 AromaticContact CE1-CD1 3.47Å; H310-F339 VanDerWaalsContact CE1-CD1 3.47Å; H310-F339 WeakPolarHBondContact CE1-CD1 3.32Å; H310-F339 AromaticContact CE1-CD2 3.75Å; H310-F339 AromaticContact CE1-CE1 3.28Å; H310-F339 WeakPolarHBondContact CE1-CE1 3.29Å; H310-F339 AromaticContact CE1-CE2 3.52Å; H310-F339 AromaticContact CE1-CG 3.73Å; H310-F339 AromaticContact CE1-CZ 3.3Å; H310-F339 WeakPolarHBondContact CE1-CZ 3.33Å; H310-F339 AromaticContact CG-CD2 3.99Å; H310-F339 AromaticContact CG-CE2 3.88Å; H310-F339 AromaticContact ND1-CD1 3.85Å; H310-F339 AromaticContact ND1-CD2 3.5Å; H310-F339 WeakPolarHBondContact ND1-CD2 3.49Å; H310-F339 AromaticContact ND1-CE2 3.63Å; H310-F339 AromaticContact ND1-CG 3.61Å; H310-F339 AromaticContact ND1-CZ 3.91Å; H310-F339 AromaticContact NE2-CE1 3.78Å; H310-F339 AromaticContact NE2-CE2 3.69Å; H310-F339 AromaticContact NE2-CZ 3.4Å; H310-F339 WeakPolarHBondContact NE2-CZ 3.47Å; Y337-F339 PolarHBondContact O-N 3.17Å; F339-N341 PolarHBondContact O-N 2.78Å; F339-L342 HydrophobicContact CD1-CD1 3.81Å; F339-L342 HydrophobicContact CE1-CD1 4.42Å; F339-L342 PolarHBondContact O-N 2.91Å; F339-E345 HydrophobicContact CB-CB 4.16Å; F339-E345 HydrophobicContact CD1-CB 3.97Å; F339-E345 HydrophobicContact CD1-CG 4.01Å; F339-E345 HydrophobicContact CG-CB 4.42Å
340	E	94.6	Very high	96.3	Very high	107 Å²	107	61.4 Å²	61.4	50%	0.5	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.2	-40	-172.2	-179.1	-169.6	-156.7	0	0	113.8	Y337 S347 E349	Y337-E340 PolarHBondContact O-N 3.4Å; E340-S347 PolarHBondContact N-OG 2.7Å; E340-E349 VanDerWaalsContact CA-OE1 3.32Å; E340-E349 WeakPolarHBondContact CA-OE1 3.44Å; E340-E349 HydrophobicContact CB-CG 4.33Å; E340-E349 HydrophobicContact CG-CG 4.13Å
341	N	92.4	Very high	96.3	Very high	141 Å²	141	63.8 Å²	63.8	75%	0.754	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.8	18.4	-174.5	-65.6	-74.5	0	0	0	113.2	F339	F339-N341 PolarHBondContact O-N 2.78Å
342	L	90.1	Very high	96.2	Very high	75 Å²	75	65.4 Å²	65.4	39%	0.393	35%	0.348	S	S	.	.			trans	-96.7	122.7	179.4	-63.5	-175.5	0	0	0	110.6	F339 N344 E345	F339-L342 HydrophobicContact CD1-CD1 3.81Å; F339-L342 HydrophobicContact CE1-CD1 4.42Å; F339-L342 PolarHBondContact O-N 2.91Å; L342-N344 PolarHBondContact O-N 3.48Å; L342-E345 HydrophobicContact CB-CB 4.01Å; L342-E345 HydrophobicContact CB-CG 3.72Å; L342-E345 HydrophobicContact CD1-CG 4.46Å; L342-E345 PolarHBondContact O-N 3.23Å
343	A	91.1	Very high	96.2	Very high	83 Å²	83	71.8 Å²	71.8	69%	0.686	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	137.1	177.7	0	0	0	0	0	110.3	E345	A343-E345 PolarHBondContact O-N 3.1Å
344	N	93.3	Very high	96.2	Very high	170 Å²	170	75.2 Å²	75.2	91%	0.909	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	67	13	177.3	-51.2	92.3	0	0	0	115.4	L342	L342-N344 PolarHBondContact O-N 3.48Å
345	E	94.5	Very high	96.3	Very high	98 Å²	98	74.5 Å²	74.5	46%	0.458	39%	0.391	S	S	.	.			trans	-103.4	142.2	173.9	-63.1	-65.2	172.2	0	0	110.8	H310 F339 L342 A343	H310-E345 IonicContact CE1-OE2 3.85Å; H310-E345 PolarHBondContact CE1-OE2 3.44Å; H310-E345 IonicContact ND1-OE2 2.91Å; F339-E345 HydrophobicContact CB-CB 4.16Å; F339-E345 HydrophobicContact CD1-CB 3.97Å; F339-E345 HydrophobicContact CD1-CG 4.01Å; F339-E345 HydrophobicContact CG-CB 4.42Å; L342-E345 HydrophobicContact CB-CB 4.01Å; L342-E345 HydrophobicContact CB-CG 3.72Å; L342-E345 HydrophobicContact CD1-CG 4.46Å; L342-E345 PolarHBondContact O-N 3.23Å; A343-E345 PolarHBondContact O-N 3.1Å
346	L	95.4	Very high	96.3	Very high	101 Å²	101	74.8 Å²	74.8	53%	0.529	39%	0.39	S	S	.	.			trans	-73.4	134.6	168.5	176.7	65.7	0	0	0	108.9	H310 N311 I348	H310-L346 WeakPolarHBondContact CA-O 3.34Å; H310-L346 HydrophobicContact CB-CB 4.26Å; H310-L346 HydrophobicContact CB-CD2 4.36Å; H310-L346 HydrophobicContact CB-CG 4.34Å; H310-L346 WeakPolarHBondContact CB-O 3.45Å; H310-L346 PolarHBondContact ND1-O 3.25Å; N311-L346 HydrophobicContact CB-CD2 4.49Å; L346-I348 HydrophobicContact CD1-CD1 4.01Å; L346-I348 HydrophobicContact CD1-CG1 4.31Å
347	S	97.4	Very high	96.3	Very high	20 Å²	20	72.8 Å²	72.8	14%	0.14	38%	0.38	C	S	.	.			trans	-147.8	125.2	173.6	-168.8	0	0	0	0	108.7	H310 E340 E349	H310-S347 CarbonylContact O-C 3.46Å; H310-S347 VanDerWaalsContact O-CA 3.25Å; H310-S347 WeakPolarHBondContact O-CA 3.31Å; E340-S347 PolarHBondContact N-OG 2.7Å; S347-E349 WeakPolarHBondContact CB-OE1 3.42Å; S347-E349 PolarHBondContact OG-OE1 3.39Å
348	I	98.1	Very high	96.3	Very high	59 Å²	59	73.2 Å²	73.2	30%	0.303	38%	0.384	S	S	.	.	B	Isolated β-bridge	trans	-115.2	95.1	177	-55.6	-62.6	0	0	0	108.4	H310 N311 Y337 L346 L350	H310-I348 PolarHBondContact O-N 2.8Å; N311-I348 HydrophobicContact CB-CB 4.48Å; N311-I348 HydrophobicContact CB-CG1 3.99Å; Y337-I348 VanDerWaalsContact CE1-O 3.27Å; Y337-I348 WeakPolarHBondContact CE1-O 3.27Å; L346-I348 HydrophobicContact CD1-CD1 4.01Å; L346-I348 HydrophobicContact CD1-CG1 4.31Å; I348-L350 HydrophobicContact CG2-CD2 3.99Å; I348-L350 HydrophobicContact CG2-CG 4.2Å; I348-L350 PolarHBondContact O-N 3.2Å
349	E	98.6	Very high	96.6	Very high	86 Å²	86	69 Å²	69	40%	0.402	37%	0.365	S	S	.	.			trans	-82.7	105	-179.1	-55.3	77	-166.1	0	0	110.6	Y337 E340 S347	Y337-E349 HydrophobicContact CD2-CB 3.77Å; Y337-E349 HydrophobicContact CD2-CG 3.77Å; Y337-E349 HydrophobicContact CE2-CB 3.97Å; Y337-E349 HydrophobicContact CE2-CG 4.44Å; Y337-E349 HydrophobicContact CG-CB 4.23Å; Y337-E349 HydrophobicContact CG-CG 3.83Å; E340-E349 VanDerWaalsContact CA-OE1 3.32Å; E340-E349 WeakPolarHBondContact CA-OE1 3.44Å; E340-E349 HydrophobicContact CB-CG 4.33Å; E340-E349 HydrophobicContact CG-CG 4.13Å; S347-E349 WeakPolarHBondContact CB-OE1 3.42Å; S347-E349 PolarHBondContact OG-OE1 3.39Å
350	L	98.6	Very high	96.8	Very high	33 Å²	33	71.3 Å²	71.3	17%	0.173	38%	0.379	C	S	.	.			trans	-99.4	144.3	173.9	-61.5	-171.1	0	0	0	110.6	V312 I313 Y337 I348 D354 I355 V358	V312-L350 HydrophobicContact CG1-CB 4.35Å; V312-L350 HydrophobicContact CG1-CD1 3.66Å; V312-L350 HydrophobicContact CG1-CG 3.96Å; I313-L350 HydrophobicContact CD1-CD1 4.33Å; I313-L350 HydrophobicContact CG1-CD1 4.05Å; Y337-L350 WeakPolarHBondContact CE2-O 3.49Å; Y337-L350 VanDerWaalsContact CZ-N 3.34Å; Y337-L350 PolarHBondContact OH-N 2.55Å; Y337-L350 PolarHBondContact OH-O 3.43Å; Y337-L350 VanDerWaalsContact OH-O 3.09Å; I348-L350 HydrophobicContact CG2-CD2 3.99Å; I348-L350 HydrophobicContact CG2-CG 4.2Å; I348-L350 PolarHBondContact O-N 3.2Å; L350-D354 HydrophobicContact CB-CB 4.05Å; L350-D354 HydrophobicContact CD1-CB 4.46Å; L350-D354 HydrophobicContact CD2-CB 4.33Å; L350-I355 HydrophobicContact CB-CD1 4.5Å; L350-I355 HydrophobicContact CB-CG1 3.83Å; L350-I355 HydrophobicContact CD1-CG1 4.33Å; L350-V358 HydrophobicContact CD1-CG2 4.45Å
351	S	98.8	Very high	97	Very high	51 Å²	51	73.9 Å²	73.9	36%	0.357	39%	0.391	S	S	.	.			trans	-66.6	160.8	164.4	72.6	0	0	0	0	110.2	E353 D354 I355	S351-E353 PolarHBondContact O-N 2.8Å; S351-E353 PolarHBondContact OG-N 2.95Å; S351-D354 PolarHBondContact O-N 2.83Å; S351-D354 VanDerWaalsContact O-N 3.14Å; S351-D354 VanDerWaalsContact OG-CG 3.24Å; S351-D354 PolarHBondContact OG-N 3.4Å; S351-D354 VanDerWaalsContact OG-N 3.09Å; S351-D354 PolarHBondContact OG-OD2 3.09Å; S351-I355 WeakPolarHBondContact O-CG1 3.42Å; S351-I355 PolarHBondContact O-N 3.31Å
352	Y	98.8	Very high	97.3	Very high	35 Å²	35	70.4 Å²	70.4	14%	0.137	37%	0.367	C	S	.	.	H	α-helix	trans	-59.8	-35.5	172.4	174.3	-116.3	0	0	0	111.9	D354 I355 K356 E369 E371 V392 F394	Y352-D354 VanDerWaalsContact C-N 3.32Å; Y352-D354 PolarHBondContact O-N 2.7Å; Y352-I355 PolarHBondContact O-N 3.48Å; Y352-K356 WeakPolarHBondContact O-CB 3.37Å; Y352-K356 PolarHBondContact O-N 2.91Å; Y352-E369 VanDerWaalsContact CE1-OE1 3.32Å; Y352-E369 WeakPolarHBondContact CE1-OE1 3.49Å; Y352-E369 WeakPolarHBondContact OH-CG 3.04Å; Y352-E369 PolarHBondContact OH-OE1 3.44Å; Y352-E371 HydrophobicContact CD1-CG 4.4Å; Y352-E371 HydrophobicContact CE1-CG 4.15Å; Y352-V392 HydrophobicContact CD1-CG2 4.35Å; Y352-V392 HydrophobicContact CD2-CB 4.34Å; Y352-V392 HydrophobicContact CD2-CG1 3.75Å; Y352-V392 HydrophobicContact CD2-CG2 4.14Å; Y352-V392 HydrophobicContact CE1-CG2 3.85Å; Y352-V392 HydrophobicContact CE2-CB 4.25Å; Y352-V392 HydrophobicContact CE2-CG1 3.85Å; Y352-V392 HydrophobicContact CE2-CG2 3.61Å; Y352-V392 HydrophobicContact CG-CG1 4.37Å; Y352-V392 HydrophobicContact CG-CG2 4.5Å; Y352-V392 VanDerWaalsContact CZ-CG2 3.46Å; Y352-F394 AromaticContact CE2-CD1 3.92Å; Y352-F394 HydrophobicContact CE2-CD1 3.92Å; Y352-F394 HydrophobicContact CE2-CE1 4.16Å
353	E	98.9	Very high	97.7	Very high	134 Å²	134	68.3 Å²	68.3	63%	0.626	36%	0.364	S	S	*	.	H	α-helix	trans	-57	-46.6	174	179.6	179	-178.3	0	0	111.2	S351 K356 N357	S351-E353 PolarHBondContact O-N 2.8Å; S351-E353 PolarHBondContact OG-N 2.95Å; E353-K356 WeakPolarHBondContact O-CB 3.4Å; E353-K356 PolarHBondContact O-N 3.08Å; E353-N357 WeakPolarHBondContact O-CB 3.4Å; E353-N357 PolarHBondContact O-N 3.06Å; E353-N357 PolarHBondContact O-ND2 3.45Å
354	D	98.9	Very high	98	Very high	72 Å²	72	64.6 Å²	64.6	39%	0.385	33%	0.332	S	S	.	.	H	α-helix	trans	-69	-40.5	179.3	-65.5	-47.7	0	0	0	112.4	L350 S351 Y352 K356 N357 V358	L350-D354 HydrophobicContact CB-CB 4.05Å; L350-D354 HydrophobicContact CD1-CB 4.46Å; L350-D354 HydrophobicContact CD2-CB 4.33Å; S351-D354 PolarHBondContact O-N 2.83Å; S351-D354 VanDerWaalsContact O-N 3.14Å; S351-D354 VanDerWaalsContact OG-CG 3.24Å; S351-D354 PolarHBondContact OG-N 3.4Å; S351-D354 VanDerWaalsContact OG-N 3.09Å; S351-D354 PolarHBondContact OG-OD2 3.09Å; Y352-D354 VanDerWaalsContact C-N 3.32Å; Y352-D354 PolarHBondContact O-N 2.7Å; D354-K356 VanDerWaalsContact C-N 3.32Å; D354-K356 PolarHBondContact O-N 3.44Å; D354-N357 PolarHBondContact O-N 3.11Å; D354-V358 WeakPolarHBondContact O-CG2 3.48Å; D354-V358 PolarHBondContact O-N 3.1Å
355	I	98.9	Very high	98.3	Very high	1 Å²	1	61.6 Å²	61.6	1%	0.005	31%	0.313	C	S	.	.	H	α-helix	trans	-56.5	-50	172.9	-69.9	174.8	0	0	0	109.8	I306 V312 I316 L335 L350 S351 Y352 N357 V358 V359	I306-I355 HydrophobicContact CD1-CD1 4.42Å; V312-I355 HydrophobicContact CG1-CG1 4.41Å; V312-I355 HydrophobicContact CG2-CD1 4.46Å; I316-I355 HydrophobicContact CD1-CG2 4.39Å; L335-I355 HydrophobicContact CD1-CD1 3.78Å; L335-I355 HydrophobicContact CD2-CD1 3.36Å; L335-I355 HydrophobicContact CG-CD1 4.23Å; L350-I355 HydrophobicContact CB-CD1 4.5Å; L350-I355 HydrophobicContact CB-CG1 3.83Å; L350-I355 HydrophobicContact CD1-CG1 4.33Å; S351-I355 WeakPolarHBondContact O-CG1 3.42Å; S351-I355 PolarHBondContact O-N 3.31Å; Y352-I355 PolarHBondContact O-N 3.48Å; I355-N357 VanDerWaalsContact C-N 3.32Å; I355-N357 PolarHBondContact O-N 3.18Å; I355-V358 PolarHBondContact O-N 3.05Å; I355-V359 HydrophobicContact CG2-CG2 4.34Å; I355-V359 WeakPolarHBondContact O-CB 3.44Å; I355-V359 VanDerWaalsContact O-CG2 3.25Å; I355-V359 WeakPolarHBondContact O-CG2 3.37Å; I355-V359 PolarHBondContact O-N 3.23Å
356	K	98.9	Very high	98.5	Very high	58 Å²	58	60 Å²	60	25%	0.252	31%	0.307	S	S	.	.	H	α-helix	trans	-58.3	-44.9	177.2	-179.7	-177.6	-175	165.2	0	111.4	Y352 E353 D354 V358 V359 L360 E369	Y352-K356 WeakPolarHBondContact O-CB 3.37Å; Y352-K356 PolarHBondContact O-N 2.91Å; E353-K356 WeakPolarHBondContact O-CB 3.4Å; E353-K356 PolarHBondContact O-N 3.08Å; D354-K356 VanDerWaalsContact C-N 3.32Å; D354-K356 PolarHBondContact O-N 3.44Å; K356-V358 VanDerWaalsContact C-N 3.35Å; K356-V358 PolarHBondContact O-N 3.22Å; K356-V359 PolarHBondContact O-N 3.2Å; K356-L360 HydrophobicContact CG-CD1 4.15Å; K356-L360 VanDerWaalsContact O-CG 3.3Å; K356-L360 WeakPolarHBondContact O-CG 3.38Å; K356-L360 PolarHBondContact O-N 3.3Å; K356-E369 WeakPolarHBondContact CD-OE1 3.37Å; K356-E369 WeakPolarHBondContact CE-OE1 3.42Å; K356-E369 IonicContact NZ-OE1 2.78Å; K356-E369 PolarHBondContact NZ-OE1 3.02Å; K356-E369 IonicContact NZ-OE2 2.59Å; K356-E369 PolarHBondContact NZ-OE2 3.38Å
357	N	98.8	Very high	98.7	Very high	62 Å²	62	59.1 Å²	59.1	33%	0.332	30%	0.3	S	S	.	.	H	α-helix	trans	-62	-40.4	178.6	-72.6	-27.5	0	0	0	112.4	E353 D354 I355 Q361	E353-N357 WeakPolarHBondContact O-CB 3.4Å; E353-N357 PolarHBondContact O-N 3.06Å; E353-N357 PolarHBondContact O-ND2 3.45Å; D354-N357 PolarHBondContact O-N 3.11Å; I355-N357 VanDerWaalsContact C-N 3.32Å; I355-N357 PolarHBondContact O-N 3.18Å; N357-Q361 WeakPolarHBondContact O-CB 3.49Å; N357-Q361 VanDerWaalsContact O-CG 3.31Å; N357-Q361 WeakPolarHBondContact O-CG 3.37Å; N357-Q361 PolarHBondContact O-N 3.22Å; N357-Q361 VanDerWaalsContact O-N 3.08Å; N357-Q361 PolarHBondContact O-NE2 3.11Å; N357-Q361 VanDerWaalsContact O-NE2 3.08Å
358	V	98.8	Very high	98.7	Very high	27 Å²	27	59 Å²	59	16%	0.164	30%	0.299	C	S	.	.	H	α-helix	trans	-65.2	-47.1	174.6	171.9	0	0	0	0	110.6	I313 I316 L350 D354 I355 K356 L360 Q361 Y362	I313-V358 HydrophobicContact CG1-CG1 4.47Å; I313-V358 HydrophobicContact CG2-CG1 4.24Å; I316-V358 HydrophobicContact CD1-CB 4.31Å; I316-V358 HydrophobicContact CD1-CG1 3.83Å; I316-V358 HydrophobicContact CG2-CG1 4.37Å; L350-V358 HydrophobicContact CD1-CG2 4.45Å; D354-V358 WeakPolarHBondContact O-CG2 3.48Å; D354-V358 PolarHBondContact O-N 3.1Å; I355-V358 PolarHBondContact O-N 3.05Å; K356-V358 VanDerWaalsContact C-N 3.35Å; K356-V358 PolarHBondContact O-N 3.22Å; V358-L360 VanDerWaalsContact C-N 3.32Å; V358-L360 PolarHBondContact O-N 2.61Å; V358-Q361 PolarHBondContact O-N 3.28Å; V358-Q361 VanDerWaalsContact O-N 3.12Å; V358-Y362 HydrophobicContact CG1-CD2 4Å; V358-Y362 HydrophobicContact CG1-CE2 4.11Å; V358-Y362 PolarHBondContact O-N 2.86Å
359	V	98.8	Very high	98.8	Very high	6 Å²	6	59.2 Å²	59.2	4%	0.036	30%	0.299	C	S	.	.	H	α-helix	trans	-56.8	-44.9	178.4	168.3	0	0	0	0	111.6	I316 W329 I355 K356 Y362 F364 V396	I316-V359 HydrophobicContact CD1-CG2 3.97Å; I316-V359 HydrophobicContact CG1-CG2 4.28Å; I316-V359 HydrophobicContact CG2-CG2 4.18Å; W329-V359 HydrophobicContact CH2-CG2 4.17Å; W329-V359 HydrophobicContact CZ3-CG2 3.63Å; I355-V359 HydrophobicContact CG2-CG2 4.34Å; I355-V359 WeakPolarHBondContact O-CB 3.44Å; I355-V359 VanDerWaalsContact O-CG2 3.25Å; I355-V359 WeakPolarHBondContact O-CG2 3.37Å; I355-V359 PolarHBondContact O-N 3.23Å; K356-V359 PolarHBondContact O-N 3.2Å; V359-Y362 PolarHBondContact O-N 3.3Å; V359-F364 HydrophobicContact CG1-CB 3.63Å; V359-F364 HydrophobicContact CG1-CD2 3.83Å; V359-F364 HydrophobicContact CG1-CG 4Å; V359-F364 WeakPolarHBondContact O-CB 3.32Å; V359-F364 PolarHBondContact O-N 2.91Å; V359-V396 HydrophobicContact CG1-CB 4.39Å; V359-V396 HydrophobicContact CG1-CG1 3.96Å; V359-V396 HydrophobicContact CG1-CG2 4.21Å
360	L	98.8	Very high	98.8	Very high	79 Å²	79	60.3 Å²	60.3	41%	0.414	30%	0.302	S	S	.	.	H	α-helix	trans	-66.3	-38.3	176.7	-67.7	174.3	0	0	0	112.6	K356 V358 Y362 G363	K356-L360 HydrophobicContact CG-CD1 4.15Å; K356-L360 VanDerWaalsContact O-CG 3.3Å; K356-L360 WeakPolarHBondContact O-CG 3.38Å; K356-L360 PolarHBondContact O-N 3.3Å; V358-L360 VanDerWaalsContact C-N 3.32Å; V358-L360 PolarHBondContact O-N 2.61Å; L360-Y362 VanDerWaalsContact C-N 3.33Å; L360-Y362 PolarHBondContact O-N 2.83Å; L360-G363 WeakPolarHBondContact O-CA 3.35Å; L360-G363 PolarHBondContact O-N 3.29Å
361	Q	98.6	Very high	98.8	Very high	161 Å²	161	64.6 Å²	64.6	75%	0.752	32%	0.321	S	S	*	.	H	α-helix	trans	-68.3	-30.1	177.3	-78.1	174.2	82	0	0	113.2	N357 V358 G363	N357-Q361 WeakPolarHBondContact O-CB 3.49Å; N357-Q361 VanDerWaalsContact O-CG 3.31Å; N357-Q361 WeakPolarHBondContact O-CG 3.37Å; N357-Q361 PolarHBondContact O-N 3.22Å; N357-Q361 VanDerWaalsContact O-N 3.08Å; N357-Q361 PolarHBondContact O-NE2 3.11Å; N357-Q361 VanDerWaalsContact O-NE2 3.08Å; V358-Q361 PolarHBondContact O-N 3.28Å; V358-Q361 VanDerWaalsContact O-N 3.12Å; Q361-G363 PolarHBondContact O-N 2.75Å
362	Y	98.4	Very high	98.7	Very high	67 Å²	67	65.7 Å²	65.7	26%	0.263	33%	0.329	S	S	.	.	H	α-helix	trans	-62.8	-23.9	168.8	-98.6	-94.4	0	0	0	112.6	I313 I316 D317 W320 V358 V359 L360	I313-Y362 HydrophobicContact CG2-CE2 4.46Å; I316-Y362 HydrophobicContact CG2-CD2 3.9Å; I316-Y362 HydrophobicContact CG2-CE2 4.16Å; I316-Y362 HydrophobicContact CG2-CG 4.22Å; D317-Y362 HydrophobicContact CB-CE1 4.22Å; D317-Y362 WeakPolarHBondContact CB-OH 3.47Å; D317-Y362 WeakPolarHBondContact OD1-CE1 3.35Å; D317-Y362 PolarHBondContact OD1-OH 3.32Å; W320-Y362 HydrophobicContact CB-CD1 3.8Å; W320-Y362 HydrophobicContact CB-CE1 4.19Å; W320-Y362 AromaticContact CD1-CD1 3.9Å; W320-Y362 HydrophobicContact CD2-CD1 4.03Å; W320-Y362 AromaticContact CG-CD1 3.63Å; W320-Y362 HydrophobicContact CG-CD1 3.63Å; W320-Y362 HydrophobicContact CG-CE1 4.22Å; W320-Y362 WeakPolarHBondContact CH2-O 3.47Å; W320-Y362 VanDerWaalsContact CZ2-O 3.28Å; W320-Y362 WeakPolarHBondContact CZ2-O 3.5Å; W320-Y362 WeakPolarHBondContact CZ3-O 3.42Å; V358-Y362 HydrophobicContact CG1-CD2 4Å; V358-Y362 HydrophobicContact CG1-CE2 4.11Å; V358-Y362 PolarHBondContact O-N 2.86Å; V359-Y362 PolarHBondContact O-N 3.3Å; L360-Y362 VanDerWaalsContact C-N 3.33Å; L360-Y362 PolarHBondContact O-N 2.83Å
363	G	98.6	Very high	98.7	Very high	31 Å²	31	65.4 Å²	65.4	32%	0.32	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	104.4	9	179.9	0	0	0	0	0	114.1	L360 Q361 P399	L360-G363 WeakPolarHBondContact O-CA 3.35Å; L360-G363 PolarHBondContact O-N 3.29Å; Q361-G363 PolarHBondContact O-N 2.75Å; G363-P399 WeakPolarHBondContact O-CD 3.38Å; G363-P399 VanDerWaalsContact O-CG 3.23Å; G363-P399 WeakPolarHBondContact O-CG 3.47Å
364	F	98.9	Very high	98.7	Very high	5 Å²	5	63.9 Å²	63.9	2%	0.022	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-63	143.1	171.5	-80.6	-72.4	0	0	0	111.3	I316 I319 W320 L323 W329 V359 V396 R397 K398	I316-F364 HydrophobicContact CG2-CE2 4.45Å; I319-F364 HydrophobicContact CG2-CZ 4.05Å; W320-F364 HydrophobicContact CB-CE2 3.91Å; W320-F364 HydrophobicContact CB-CZ 4Å; W320-F364 HydrophobicContact CD2-CE2 4.36Å; W320-F364 HydrophobicContact CD2-CZ 4.48Å; W320-F364 HydrophobicContact CE3-CD1 4.11Å; W320-F364 AromaticContact CE3-CD2 3.69Å; W320-F364 HydrophobicContact CE3-CD2 3.69Å; W320-F364 AromaticContact CE3-CE1 3.95Å; W320-F364 HydrophobicContact CE3-CE1 3.95Å; W320-F364 AromaticContact CE3-CE2 3.56Å; W320-F364 HydrophobicContact CE3-CE2 3.56Å; W320-F364 AromaticContact CE3-CG 3.98Å; W320-F364 HydrophobicContact CE3-CG 3.98Å; W320-F364 AromaticContact CE3-CZ 3.68Å; W320-F364 HydrophobicContact CE3-CZ 3.68Å; W320-F364 HydrophobicContact CZ3-CD1 4.24Å; W320-F364 HydrophobicContact CZ3-CD2 4.18Å; W320-F364 HydrophobicContact CZ3-CE1 4.47Å; W320-F364 HydrophobicContact CZ3-CE2 4.44Å; W320-F364 HydrophobicContact CZ3-CG 4.08Å; L323-F364 HydrophobicContact CD1-CE1 3.8Å; L323-F364 HydrophobicContact CD1-CZ 4.09Å; W329-F364 HydrophobicContact CE3-CE2 4.36Å; W329-F364 HydrophobicContact CE3-CZ 4.34Å; V359-F364 HydrophobicContact CG1-CB 3.63Å; V359-F364 HydrophobicContact CG1-CD2 3.83Å; V359-F364 HydrophobicContact CG1-CG 4Å; V359-F364 WeakPolarHBondContact O-CB 3.32Å; V359-F364 PolarHBondContact O-N 2.91Å; F364-V396 HydrophobicContact CB-CB 4.01Å; F364-V396 HydrophobicContact CB-CG2 4.2Å; F364-V396 HydrophobicContact CD1-CB 4.08Å; F364-V396 HydrophobicContact CD1-CG2 3.65Å; F364-V396 HydrophobicContact CE1-CG2 4.1Å; F364-V396 HydrophobicContact CG-CB 4.25Å; F364-V396 HydrophobicContact CG-CG2 3.91Å; F364-R397 WeakPolarHBondContact CA-O 3.41Å; F364-K398 HydrophobicContact CD1-CB 4.39Å; F364-K398 HydrophobicContact CE1-CB 4.09Å
365	Q	98.8	Very high	98.6	Very high	108 Å²	108	60.7 Å²	60.7	51%	0.505	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	121.2	174.7	-64.5	177.4	-9	0	0	109.7	E367 V396 R397 P399	Q365-E367 PolarHBondContact O-N 2.66Å; Q365-V396 CarbonylContact O-C 3.58Å; Q365-V396 VanDerWaalsContact O-CA 3.27Å; Q365-V396 WeakPolarHBondContact O-CA 3.2Å; Q365-R397 PolarHBondContact N-O 3.48Å; Q365-R397 PolarHBondContact O-N 3.35Å; Q365-P399 HydrophobicContact CG-CG 4.26Å
366	L	98.7	Very high	98.6	Very high	65 Å²	65	61.5 Å²	61.5	34%	0.34	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	121.7	179	-173.7	66.7	0	0	0	111.2	V368 E369 F394 V396	L366-V368 WeakPolarHBondContact CD1-O 3.39Å; L366-E369 HydrophobicContact CD1-CB 4.26Å; L366-E369 HydrophobicContact CD2-CB 4.1Å; L366-E369 HydrophobicContact CG-CB 4.44Å; L366-F394 HydrophobicContact CD1-CB 4.27Å; L366-V396 HydrophobicContact CD1-CG1 3.64Å
367	E	98.8	Very high	98.6	Very high	82 Å²	82	62.4 Å²	62.4	38%	0.383	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	-34.5	179.9	-59.2	-163.5	151	0	0	113	Q365 V395 R397	Q365-E367 PolarHBondContact O-N 2.66Å; E367-V395 PolarHBondContact N-O 2.64Å; E367-R397 VanDerWaalsContact CD-NH2 3.32Å; E367-R397 HydrophobicContact CG-CB 4.33Å; E367-R397 IonicContact OE1-CZ 2.7Å; E367-R397 VanDerWaalsContact OE1-CZ 3.32Å; E367-R397 IonicContact OE1-NE 3.66Å; E367-R397 PolarHBondContact OE1-NE 2.7Å; E367-R397 IonicContact OE1-NH2 2.76Å; E367-R397 PolarHBondContact OE1-NH2 3.07Å; E367-R397 IonicContact OE2-CZ 2.8Å; E367-R397 IonicContact OE2-NE 3.84Å; E367-R397 IonicContact OE2-NH2 3.96Å; E367-R397 PolarHBondContact OE2-NH2 3.25Å
368	V	98.8	Very high	98.6	Very high	17 Å²	17	60.5 Å²	60.5	10%	0.103	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	138.6	177.9	-179.3	0	0	0	0	108.5	L366 K370 F394 V395	L366-V368 WeakPolarHBondContact CD1-O 3.39Å; V368-K370 HydrophobicContact CG1-CG 4.37Å; V368-F394 CarbonylContact O-C 3.59Å; V368-F394 WeakPolarHBondContact O-CA 3.35Å; V368-F394 WeakPolarHBondContact O-CB 3.32Å; V368-V395 HydrophobicContact CB-CB 3.83Å; V368-V395 HydrophobicContact CB-CG2 3.83Å; V368-V395 HydrophobicContact CG2-CB 4.04Å; V368-V395 HydrophobicContact CG2-CG2 4.02Å; V368-V395 PolarHBondContact N-O 3.1Å; V368-V395 VanDerWaalsContact N-O 3.16Å; V368-V395 PolarHBondContact O-N 3.21Å
369	E	98.8	Very high	98.6	Very high	64 Å²	64	60.2 Å²	60.2	30%	0.299	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	124.9	171.6	-179.7	172.4	-132.2	0	0	108.4	Y352 K356 L366 L393	Y352-E369 VanDerWaalsContact CE1-OE1 3.32Å; Y352-E369 WeakPolarHBondContact CE1-OE1 3.49Å; Y352-E369 WeakPolarHBondContact OH-CG 3.04Å; Y352-E369 PolarHBondContact OH-OE1 3.44Å; K356-E369 WeakPolarHBondContact CD-OE1 3.37Å; K356-E369 WeakPolarHBondContact CE-OE1 3.42Å; K356-E369 IonicContact NZ-OE1 2.78Å; K356-E369 PolarHBondContact NZ-OE1 3.02Å; K356-E369 IonicContact NZ-OE2 2.59Å; K356-E369 PolarHBondContact NZ-OE2 3.38Å; L366-E369 HydrophobicContact CD1-CB 4.26Å; L366-E369 HydrophobicContact CD2-CB 4.1Å; L366-E369 HydrophobicContact CG-CB 4.44Å; E369-L393 CarbonylContact C-O 3.43Å; E369-L393 WeakPolarHBondContact CA-O 3.49Å
370	K	98.8	Very high	98.5	Very high	108 Å²	108	60.3 Å²	60.3	47%	0.47	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	106.2	176	-61.7	-178.9	-170.9	163	0	108.4	V368 V373 L393	V368-K370 HydrophobicContact CG1-CG 4.37Å; K370-V373 HydrophobicContact CB-CG2 4.12Å; K370-L393 HydrophobicContact CB-CB 4.36Å; K370-L393 HydrophobicContact CD-CD2 4.34Å; K370-L393 PolarHBondContact N-O 3.06Å; K370-L393 PolarHBondContact O-N 2.76Å
371	E	98.3	Very high	98.5	Very high	123 Å²	123	60.2 Å²	60.2	58%	0.575	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.2	168.8	168	-64.8	179.3	-116.9	0	0	110.6	Y352 V373 V392	Y352-E371 HydrophobicContact CD1-CG 4.4Å; Y352-E371 HydrophobicContact CE1-CG 4.15Å; E371-V373 VanDerWaalsContact C-N 3.26Å; E371-V373 PolarHBondContact O-N 2.99Å; E371-V392 HydrophobicContact CG-CG2 4.1Å
372	S	97.8	Very high	98.5	Very high	74 Å²	74	56 Å²	56	52%	0.517	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	58.4	33.1	174.4	-45.4	0	0	0	0	114.4	L374 C391	S372-L374 PolarHBondContact O-N 3.46Å; S372-C391 PolarHBondContact N-O 3.12Å; S372-C391 VanDerWaalsContact N-O 3.14Å
373	V	98.4	Very high	98.5	Very high	29 Å²	29	53 Å²	53	18%	0.176	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	94.3	167.4	-177.4	0	0	0	0	107.9	L332 K370 E371 S375 C391 L393	L332-V373 HydrophobicContact CD1-CG1 4.13Å; K370-V373 HydrophobicContact CB-CG2 4.12Å; E371-V373 VanDerWaalsContact C-N 3.26Å; E371-V373 PolarHBondContact O-N 2.99Å; V373-S375 PolarHBondContact O-N 2.92Å; V373-C391 HydrophobicContact CB-CB 4.38Å; V373-C391 PolarHBondContact N-O 3.19Å; V373-C391 WeakPolarHBondContact O-CB 3.31Å; V373-C391 PolarHBondContact O-N 2.87Å; V373-L393 HydrophobicContact CG2-CB 4Å
374	L	98.6	Very high	98.5	Very high	103 Å²	103	56.9 Å²	56.9	54%	0.539	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	126	-175.3	-171.1	67.6	0	0	0	111.3	S372 Y388 Y389 E390	S372-L374 PolarHBondContact O-N 3.46Å; L374-Y388 HydrophobicContact CD1-CD1 4.31Å; L374-Y388 HydrophobicContact CD1-CG 4.48Å; L374-Y388 HydrophobicContact CG-CD1 4.44Å; L374-Y389 WeakPolarHBondContact CA-O 3.48Å; L374-E390 HydrophobicContact CD1-CG 4.24Å
375	S	98.1	Very high	98.5	Very high	5 Å²	5	61.1 Å²	61.1	4%	0.035	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	170.5	171.5	-163.4	0	0	0	0	112.3	C171 V373 Y388 Y389	C171-S375 PolarHBondContact SG-OG 2.67Å; V373-S375 PolarHBondContact O-N 2.92Å; S375-Y388 WeakPolarHBondContact O-CA 3.47Å; S375-Y389 PolarHBondContact N-O 3.27Å; S375-Y389 PolarHBondContact O-N 3.33Å
376	T	98.6	Very high	98.5	Very high	17 Å²	17	59.3 Å²	59.3	10%	0.104	30%	0.3	C	S	.	.			trans	-112.8	173.3	168.5	58.5	0	0	0	0	110.6	R158 E167 V379 Y388	R158-T376 PolarHBondContact NH1-O 3.34Å; E167-T376 VanDerWaalsContact CD-C 3.47Å; E167-T376 VanDerWaalsContact CD-O 3.24Å; E167-T376 VanDerWaalsContact CG-O 3.24Å; E167-T376 WeakPolarHBondContact CG-O 3.42Å; E167-T376 WeakPolarHBondContact CG-OG1 3.5Å; E167-T376 VanDerWaalsContact OE2-C 3.27Å; E167-T376 WeakPolarHBondContact OE2-CB 3.46Å; E167-T376 PolarHBondContact OE2-OG1 3.25Å; T376-V379 HydrophobicContact CG2-CB 4.12Å; T376-V379 HydrophobicContact CG2-CG1 4.2Å; T376-V379 HydrophobicContact CG2-CG2 4.27Å; T376-V379 VanDerWaalsContact OG1-CG1 3.31Å; T376-V379 WeakPolarHBondContact OG1-CG1 3.42Å; T376-Y388 HydrophobicContact CG2-CD1 3.34Å; T376-Y388 HydrophobicContact CG2-CE1 3.32Å; T376-Y388 HydrophobicContact CG2-CG 4.16Å
377	Y	98.5	Very high	98.4	Very high	77 Å²	77	63.7 Å²	63.7	30%	0.302	31%	0.313	S	S	.	.	S	Bend	trans	-138.5	113.4	172.4	-163.6	-90.8	0	0	0	110.8	Q155 E167 F304 V379	Q155-Y377 PolarHBondContact NE2-OH 3.06Å; E167-Y377 WeakPolarHBondContact OE1-CA 3.38Å; E167-Y377 WeakPolarHBondContact OE2-CA 3.3Å; E167-Y377 PolarHBondContact OE2-N 2.9Å; F304-Y377 HydrophobicContact CB-CD2 4.42Å; F304-Y377 HydrophobicContact CB-CE2 3.98Å; F304-Y377 AromaticContact CD1-CD2 3.39Å; F304-Y377 HydrophobicContact CD1-CD2 3.39Å; F304-Y377 AromaticContact CD1-CE2 3.79Å; F304-Y377 HydrophobicContact CD1-CE2 3.79Å; F304-Y377 HydrophobicContact CD1-CG 4.19Å; F304-Y377 AromaticContact CE1-CD2 3.62Å; F304-Y377 HydrophobicContact CE1-CD2 3.62Å; F304-Y377 HydrophobicContact CE1-CE2 4.45Å; F304-Y377 HydrophobicContact CE1-CG 4.18Å; F304-Y377 AromaticContact CG-CD2 3.9Å; F304-Y377 HydrophobicContact CG-CD2 3.9Å; F304-Y377 AromaticContact CG-CE2 3.96Å; F304-Y377 HydrophobicContact CG-CE2 3.96Å; F304-Y377 HydrophobicContact CZ-CD2 4.31Å; Y377-V379 VanDerWaalsContact C-N 3.25Å; Y377-V379 PolarHBondContact O-N 3.04Å
378	T	98.3	Very high	98.4	Very high	23 Å²	23	65.8 Å²	65.8	14%	0.141	32%	0.318	C	S	.	.	S	Bend	trans	52.5	39.4	-177.1	65.6	0	0	0	0	113.8	K154 Q155 R158 E167	K154-T378 HydrophobicContact CB-CG2 4.07Å; Q155-T378 HydrophobicContact CG-CG2 4.42Å; Q155-T378 VanDerWaalsContact OE1-CG2 3.25Å; R158-T378 HydrophobicContact CB-CG2 4.2Å; E167-T378 PolarHBondContact OE1-N 2.82Å; E167-T378 PolarHBondContact OE2-N 3.2Å
379	V	98.4	Very high	98.4	Very high	20 Å²	20	67.5 Å²	67.5	12%	0.121	32%	0.323	C	S	.	.			trans	-65.4	137.5	-171.6	67.6	0	0	0	0	113.2	E167 W247 T376 Y377 D381 K386	E167-V379 PolarHBondContact OE2-N 2.91Å; W247-V379 VanDerWaalsContact CH2-O 3.3Å; W247-V379 WeakPolarHBondContact CH2-O 3.25Å; T376-V379 HydrophobicContact CG2-CB 4.12Å; T376-V379 HydrophobicContact CG2-CG1 4.2Å; T376-V379 HydrophobicContact CG2-CG2 4.27Å; T376-V379 VanDerWaalsContact OG1-CG1 3.31Å; T376-V379 WeakPolarHBondContact OG1-CG1 3.42Å; Y377-V379 VanDerWaalsContact C-N 3.25Å; Y377-V379 PolarHBondContact O-N 3.04Å; V379-D381 PolarHBondContact O-N 3.46Å; V379-K386 HydrophobicContact CG2-CB 4.23Å; V379-K386 HydrophobicContact CG2-CD 3.96Å; V379-K386 HydrophobicContact CG2-CG 4Å
380	N	98.6	Very high	98.4	Very high	9 Å²	9	71.3 Å²	71.3	5%	0.048	34%	0.341	C	S	.	.			trans	-87.5	100	165.3	-180	0.6	0	0	0	109.2	W247 Q250 R262 L382 S383	W247-N380 HydrophobicContact CD2-CB 4.3Å; W247-N380 HydrophobicContact CE3-CB 3.59Å; W247-N380 HydrophobicContact CH2-CB 4.2Å; W247-N380 HydrophobicContact CZ3-CB 3.54Å; Q250-N380 PolarHBondContact OE1-ND2 2.63Å; Q250-N380 VanDerWaalsContact OE1-ND2 3.14Å; R262-N380 VanDerWaalsContact CZ-OD1 3.28Å; R262-N380 PolarHBondContact NH1-OD1 3.42Å; R262-N380 PolarHBondContact NH2-OD1 3.26Å; N380-L382 PolarHBondContact O-N 2.98Å; N380-L382 VanDerWaalsContact O-N 3.12Å; N380-L382 PolarHBondContact OD1-N 3.28Å; N380-S383 WeakPolarHBondContact O-CB 3.14Å; N380-S383 PolarHBondContact O-N 3.05Å
381	D	97.7	Very high	98.4	Very high	77 Å²	77	66.2 Å²	66.2	41%	0.412	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-22.5	-172.2	-86.7	-38.5	0	0	0	116.2	V379 K386	V379-D381 PolarHBondContact O-N 3.46Å; D381-K386 WeakPolarHBondContact O-CE 3.28Å; D381-K386 PolarHBondContact O-NZ 3.36Å; D381-K386 IonicContact OD1-NZ 3.7Å; D381-K386 PolarHBondContact OD1-NZ 2.88Å
382	L	98.5	Very high	98.4	Very high	72 Å²	72	61 Å²	61	38%	0.377	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-7.5	177.4	-57.7	-175.5	0	0	0	113.1	R255 D259 N380	R255-L382 PolarHBondContact NE-O 3.05Å; D259-L382 HydrophobicContact CB-CB 4.21Å; D259-L382 HydrophobicContact CB-CD1 4.14Å; N380-L382 PolarHBondContact O-N 2.98Å; N380-L382 VanDerWaalsContact O-N 3.12Å; N380-L382 PolarHBondContact OD1-N 3.28Å
383	S	98.6	Very high	98.4	Very high	5 Å²	5	57.6 Å²	57.6	4%	0.035	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-61.1	142.6	176.9	-175	0	0	0	0	111.4	Q250 N380 M385	Q250-S383 PolarHBondContact NE2-OG 3.44Å; N380-S383 WeakPolarHBondContact O-CB 3.14Å; N380-S383 PolarHBondContact O-N 3.05Å; S383-M385 VanDerWaalsContact CB-O 3.27Å; S383-M385 WeakPolarHBondContact CB-O 3.4Å; S383-M385 PolarHBondContact O-N 3.47Å; S383-M385 PolarHBondContact OG-N 3.29Å; S383-M385 PolarHBondContact OG-O 3.19Å
384	M	98.6	Very high	98.5	Very high	111 Å²	111	56.5 Å²	56.5	55%	0.547	26%	0.264	S	S	.	.	S	Bend	trans	-73.7	-16.2	171.2	-62.6	172.8	58.9	0	0	112.7	N253 R255	N253-M384 HydrophobicContact CB-CB 3.94Å; N253-M384 PolarHBondContact O-N 2.87Å; R255-M384 HydrophobicContact CG-CG 3.52Å; R255-M384 HydrophobicContact CG-SD 4.12Å
385	M	98.5	Very high	98.5	Very high	94 Å²	94	51.6 Å²	51.6	46%	0.463	24%	0.239	S	C	.	.	S	Bend	trans	-123.5	129.5	175.8	-176.6	-177.4	-175	0	0	109.4	N253 S383 Y387	N253-M385 HydrophobicContact CB-CB 4.24Å; N253-M385 WeakPolarHBondContact ND2-CB 3.47Å; S383-M385 VanDerWaalsContact CB-O 3.27Å; S383-M385 WeakPolarHBondContact CB-O 3.4Å; S383-M385 PolarHBondContact O-N 3.47Å; S383-M385 PolarHBondContact OG-N 3.29Å; S383-M385 PolarHBondContact OG-O 3.19Å; M385-Y387 HydrophobicContact CE-CE1 3.58Å; M385-Y387 WeakPolarHBondContact CE-OH 3.3Å
386	K	98.4	Very high	98.5	Very high	70 Å²	70	51.4 Å²	51.4	30%	0.304	24%	0.237	S	C	.	.			trans	-135.6	148.2	-179.7	-61.8	-177.1	-179.8	-168.2	0	109.7	V379 D381 Y388	V379-K386 HydrophobicContact CG2-CB 4.23Å; V379-K386 HydrophobicContact CG2-CD 3.96Å; V379-K386 HydrophobicContact CG2-CG 4Å; D381-K386 WeakPolarHBondContact O-CE 3.28Å; D381-K386 PolarHBondContact O-NZ 3.36Å; D381-K386 IonicContact OD1-NZ 3.7Å; D381-K386 PolarHBondContact OD1-NZ 2.88Å; K386-Y388 HydrophobicContact CB-CD2 4.44Å; K386-Y388 HydrophobicContact CB-CE2 3.76Å; K386-Y388 HydrophobicContact CD-CE2 4.37Å; K386-Y388 WeakPolarHBondContact CD-OH 3.31Å
387	Y	97.3	Very high	98.5	Very high	157 Å²	157	52.9 Å²	52.9	62%	0.616	24%	0.241	S	C	*	.			trans	-105.4	141.8	170.3	-59.6	-58.3	0	0	0	109.5	M385	M385-Y387 HydrophobicContact CE-CE1 3.58Å; M385-Y387 WeakPolarHBondContact CE-OH 3.3Å
388	Y	98.1	Very high	98.5	Very high	126 Å²	126	50.1 Å²	50.1	49%	0.494	23%	0.231	S	C	.	.			trans	-128.9	149.6	174.5	-67.1	-90.9	0	0	0	108.1	L374 S375 T376 K386	L374-Y388 HydrophobicContact CD1-CD1 4.31Å; L374-Y388 HydrophobicContact CD1-CG 4.48Å; L374-Y388 HydrophobicContact CG-CD1 4.44Å; S375-Y388 WeakPolarHBondContact O-CA 3.47Å; T376-Y388 HydrophobicContact CG2-CD1 3.34Å; T376-Y388 HydrophobicContact CG2-CE1 3.32Å; T376-Y388 HydrophobicContact CG2-CG 4.16Å; K386-Y388 HydrophobicContact CB-CD2 4.44Å; K386-Y388 HydrophobicContact CB-CE2 3.76Å; K386-Y388 HydrophobicContact CD-CE2 4.37Å; K386-Y388 WeakPolarHBondContact CD-OH 3.31Å
389	Y	98.6	Very high	98.5	Very high	53 Å²	53	51.1 Å²	51.1	21%	0.208	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	127.3	179	-58.9	-86.4	0	0	0	108.5	F304 P334 L336 L374 S375 C391	F304-Y389 AromaticContact CE1-CD2 3.91Å; F304-Y389 HydrophobicContact CE1-CD2 3.91Å; F304-Y389 HydrophobicContact CE1-CE2 4.29Å; F304-Y389 HydrophobicContact CE1-CG 4.09Å; F304-Y389 HydrophobicContact CZ-CD2 4.27Å; F304-Y389 HydrophobicContact CZ-CG 4.4Å; P334-Y389 HydrophobicContact CB-CD1 3.63Å; P334-Y389 HydrophobicContact CB-CE1 4.43Å; P334-Y389 HydrophobicContact CB-CG 4.22Å; P334-Y389 HydrophobicContact CG-CD1 3.7Å; P334-Y389 HydrophobicContact CG-CE1 4.2Å; P334-Y389 HydrophobicContact CG-CG 4.2Å; L336-Y389 HydrophobicContact CD2-CE1 4.32Å; L374-Y389 WeakPolarHBondContact CA-O 3.48Å; S375-Y389 PolarHBondContact N-O 3.27Å; S375-Y389 PolarHBondContact O-N 3.33Å; Y389-C391 PolarHBondContact O-N 2.93Å
390	E	98.7	Very high	98.2	Very high	144 Å²	144	60.9 Å²	60.9	67%	0.673	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.8	86.2	166	-73.8	-175.3	-172.9	0	0	107.5	L374	L374-E390 HydrophobicContact CD1-CG 4.24Å
391	C	98.8	Very high	98.1	Very high	1 Å²	1	63.5 Å²	63.5	1%	0.007	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	158	-174.8	-60.1	0	0	0	0	111.6	F304 L332 G333 S372 V373 Y389	F304-C391 WeakPolarHBondContact CZ-SG 3.43Å; L332-C391 HydrophobicContact CD2-CB 4.14Å; L332-C391 HydrophobicContact CG-CB 4.45Å; G333-C391 WeakPolarHBondContact O-CA 2.98Å; G333-C391 WeakPolarHBondContact O-CB 3.47Å; S372-C391 PolarHBondContact N-O 3.12Å; S372-C391 VanDerWaalsContact N-O 3.14Å; V373-C391 HydrophobicContact CB-CB 4.38Å; V373-C391 PolarHBondContact N-O 3.19Å; V373-C391 WeakPolarHBondContact O-CB 3.31Å; V373-C391 PolarHBondContact O-N 2.87Å; Y389-C391 PolarHBondContact O-N 2.93Å
392	V	98.8	Very high	98.2	Very high	13 Å²	13	62.7 Å²	62.7	8%	0.079	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	126.1	166.9	63.8	0	0	0	0	110.2	L332 G333 Y352 E371 F394	L332-V392 WeakPolarHBondContact CA-O 3.22Å; G333-V392 PolarHBondContact N-O 3.17Å; G333-V392 PolarHBondContact O-N 3.21Å; Y352-V392 HydrophobicContact CD1-CG2 4.35Å; Y352-V392 HydrophobicContact CD2-CB 4.34Å; Y352-V392 HydrophobicContact CD2-CG1 3.75Å; Y352-V392 HydrophobicContact CD2-CG2 4.14Å; Y352-V392 HydrophobicContact CE1-CG2 3.85Å; Y352-V392 HydrophobicContact CE2-CB 4.25Å; Y352-V392 HydrophobicContact CE2-CG1 3.85Å; Y352-V392 HydrophobicContact CE2-CG2 3.61Å; Y352-V392 HydrophobicContact CG-CG1 4.37Å; Y352-V392 HydrophobicContact CG-CG2 4.5Å; Y352-V392 VanDerWaalsContact CZ-CG2 3.46Å; E371-V392 HydrophobicContact CG-CG2 4.1Å; V392-F394 HydrophobicContact CG1-CD1 4.45Å; V392-F394 HydrophobicContact CG2-CD1 4.35Å
393	L	98.9	Very high	98.1	Very high	4 Å²	4	62.2 Å²	62.2	2%	0.021	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	124.1	166.9	169.6	66.4	0	0	0	108.7	P174 I330 N331 L332 E369 K370 V373	P174-L393 HydrophobicContact CB-CD2 3.88Å; I330-L393 HydrophobicContact CG2-CD1 4.12Å; N331-L393 VanDerWaalsContact O-CA 3.24Å; N331-L393 WeakPolarHBondContact O-CA 3.38Å; N331-L393 WeakPolarHBondContact O-CD1 3.44Å; L332-L393 HydrophobicContact CB-CD1 4.25Å; L332-L393 HydrophobicContact CD1-CB 4.3Å; L332-L393 HydrophobicContact CD1-CD1 4.35Å; E369-L393 CarbonylContact C-O 3.43Å; E369-L393 WeakPolarHBondContact CA-O 3.49Å; K370-L393 HydrophobicContact CB-CB 4.36Å; K370-L393 HydrophobicContact CD-CD2 4.34Å; K370-L393 PolarHBondContact N-O 3.06Å; K370-L393 PolarHBondContact O-N 2.76Å; V373-L393 HydrophobicContact CG2-CB 4Å
394	F	98.9	Very high	98.1	Very high	5 Å²	5	65.6 Å²	65.6	2%	0.022	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	154.5	167.5	62.9	-105.6	0	0	0	112.3	W329 I330 N331 Y352 L366 V368 V392 V396	W329-F394 AromaticContact CD2-CE2 3.79Å; W329-F394 HydrophobicContact CD2-CE2 3.79Å; W329-F394 HydrophobicContact CD2-CZ 4.4Å; W329-F394 AromaticContact CE2-CE2 3.68Å; W329-F394 AromaticContact CE2-CZ 3.9Å; W329-F394 AromaticContact CE3-CE2 3.89Å; W329-F394 HydrophobicContact CE3-CE2 3.89Å; W329-F394 HydrophobicContact CE3-CZ 4.45Å; W329-F394 AromaticContact CH2-CE2 3.8Å; W329-F394 HydrophobicContact CH2-CE2 3.8Å; W329-F394 AromaticContact CH2-CZ 3.51Å; W329-F394 HydrophobicContact CH2-CZ 3.51Å; W329-F394 AromaticContact CZ2-CE2 3.67Å; W329-F394 HydrophobicContact CZ2-CE2 3.67Å; W329-F394 AromaticContact CZ2-CZ 3.41Å; W329-F394 HydrophobicContact CZ2-CZ 3.41Å; W329-F394 VanDerWaalsContact CZ2-CZ 3.41Å; W329-F394 AromaticContact CZ3-CE2 3.91Å; W329-F394 HydrophobicContact CZ3-CE2 3.91Å; W329-F394 HydrophobicContact CZ3-CZ 4.06Å; I330-F394 WeakPolarHBondContact CA-O 3.36Å; N331-F394 HydrophobicContact CB-CD1 4.02Å; N331-F394 HydrophobicContact CB-CD2 3.93Å; N331-F394 HydrophobicContact CB-CE1 3.54Å; N331-F394 HydrophobicContact CB-CE2 3.45Å; N331-F394 VanDerWaalsContact CB-CE2 3.45Å; N331-F394 HydrophobicContact CB-CG 4.21Å; N331-F394 HydrophobicContact CB-CZ 3.24Å; N331-F394 PolarHBondContact N-O 3.09Å; N331-F394 VanDerWaalsContact ND2-CE1 3.29Å; N331-F394 WeakPolarHBondContact ND2-CE1 3.34Å; N331-F394 PolarHBondContact O-N 3.43Å; Y352-F394 AromaticContact CE2-CD1 3.92Å; Y352-F394 HydrophobicContact CE2-CD1 3.92Å; Y352-F394 HydrophobicContact CE2-CE1 4.16Å; L366-F394 HydrophobicContact CD1-CB 4.27Å; V368-F394 CarbonylContact O-C 3.59Å; V368-F394 WeakPolarHBondContact O-CA 3.35Å; V368-F394 WeakPolarHBondContact O-CB 3.32Å; V392-F394 HydrophobicContact CG1-CD1 4.45Å; V392-F394 HydrophobicContact CG2-CD1 4.35Å; F394-V396 HydrophobicContact CD2-CG1 3.94Å; F394-V396 HydrophobicContact CD2-CG2 4.38Å; F394-V396 HydrophobicContact CE2-CG1 4.46Å; F394-V396 HydrophobicContact CE2-CG2 4.31Å
395	V	98.9	Very high	98.1	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	122.8	169	-175.8	0	0	0	0	107.4	E178 I328 W329 I330 E367 V368	E178-V395 HydrophobicContact CB-CG2 3.87Å; E178-V395 HydrophobicContact CG-CG2 3.72Å; I328-V395 HydrophobicContact CB-CG1 4.33Å; I328-V395 HydrophobicContact CD1-CG1 4.35Å; W329-V395 WeakPolarHBondContact O-CA 3.3Å; I330-V395 HydrophobicContact CG1-CG1 4.23Å; I330-V395 HydrophobicContact CG1-CG2 4.13Å; I330-V395 HydrophobicContact CG2-CG2 4.23Å; E367-V395 PolarHBondContact N-O 2.64Å; V368-V395 HydrophobicContact CB-CB 3.83Å; V368-V395 HydrophobicContact CB-CG2 3.83Å; V368-V395 HydrophobicContact CG2-CB 4.04Å; V368-V395 HydrophobicContact CG2-CG2 4.02Å; V368-V395 PolarHBondContact N-O 3.1Å; V368-V395 VanDerWaalsContact N-O 3.16Å; V368-V395 PolarHBondContact O-N 3.21Å
396	V	98.9	Very high	98.1	Very high	2 Å²	2	60.7 Å²	60.7	1%	0.012	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	144.3	177.4	-62	0	0	0	0	110.5	I328 W329 V359 F364 Q365 L366 F394	I328-V396 CarbonylContact C-O 3.55Å; I328-V396 VanDerWaalsContact CA-O 3.31Å; I328-V396 WeakPolarHBondContact CA-O 3.38Å; W329-V396 HydrophobicContact CB-CG2 3.86Å; W329-V396 HydrophobicContact CD2-CG2 4.12Å; W329-V396 HydrophobicContact CE3-CG2 3.61Å; W329-V396 HydrophobicContact CG-CG2 4.3Å; W329-V396 HydrophobicContact CZ3-CG2 4.48Å; W329-V396 PolarHBondContact N-O 3.16Å; W329-V396 PolarHBondContact O-N 3.17Å; V359-V396 HydrophobicContact CG1-CB 4.39Å; V359-V396 HydrophobicContact CG1-CG1 3.96Å; V359-V396 HydrophobicContact CG1-CG2 4.21Å; F364-V396 HydrophobicContact CB-CB 4.01Å; F364-V396 HydrophobicContact CB-CG2 4.2Å; F364-V396 HydrophobicContact CD1-CB 4.08Å; F364-V396 HydrophobicContact CD1-CG2 3.65Å; F364-V396 HydrophobicContact CE1-CG2 4.1Å; F364-V396 HydrophobicContact CG-CB 4.25Å; F364-V396 HydrophobicContact CG-CG2 3.91Å; Q365-V396 CarbonylContact O-C 3.58Å; Q365-V396 VanDerWaalsContact O-CA 3.27Å; Q365-V396 WeakPolarHBondContact O-CA 3.2Å; L366-V396 HydrophobicContact CD1-CG1 3.64Å; F394-V396 HydrophobicContact CD2-CG1 3.94Å; F394-V396 HydrophobicContact CD2-CG2 4.38Å; F394-V396 HydrophobicContact CE2-CG1 4.46Å; F394-V396 HydrophobicContact CE2-CG2 4.31Å
397	R	98.9	Very high	98	Very high	48 Å²	48	60 Å²	60	18%	0.181	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	132.6	-178.7	-173.1	176.4	-54.5	-80.6	-10.2	111.1	N182 G326 G327 I328 F364 Q365 E367	N182-R397 PolarHBondContact OD1-NH2 2.9Å; G326-R397 PolarHBondContact O-NH1 3.16Å; G327-R397 WeakPolarHBondContact O-CA 3.42Å; I328-R397 HydrophobicContact CG2-CB 4.15Å; I328-R397 HydrophobicContact CG2-CG 4.12Å; F364-R397 WeakPolarHBondContact CA-O 3.41Å; Q365-R397 PolarHBondContact N-O 3.48Å; Q365-R397 PolarHBondContact O-N 3.35Å; E367-R397 VanDerWaalsContact CD-NH2 3.32Å; E367-R397 HydrophobicContact CG-CB 4.33Å; E367-R397 IonicContact OE1-CZ 2.7Å; E367-R397 VanDerWaalsContact OE1-CZ 3.32Å; E367-R397 IonicContact OE1-NE 3.66Å; E367-R397 PolarHBondContact OE1-NE 2.7Å; E367-R397 IonicContact OE1-NH2 2.76Å; E367-R397 PolarHBondContact OE1-NH2 3.07Å; E367-R397 IonicContact OE2-CZ 2.8Å; E367-R397 IonicContact OE2-NE 3.84Å; E367-R397 IonicContact OE2-NH2 3.96Å; E367-R397 PolarHBondContact OE2-NH2 3.25Å
398	K	98.8	Very high	98.1	Very high	19 Å²	19	52.5 Å²	52.5	8%	0.083	24%	0.239	C	C	.	.			trans	-72.6	126	165.2	-179	173.1	176.7	-179.5	0	108	N295 W320 L323 G326 G327 F364	N295-K398 PolarHBondContact OD1-NZ 3.3Å; W320-K398 HydrophobicContact CD2-CD 4.42Å; W320-K398 HydrophobicContact CE3-CB 4.49Å; W320-K398 HydrophobicContact CE3-CD 4.37Å; W320-K398 HydrophobicContact CE3-CG 4.08Å; W320-K398 HydrophobicContact CH2-CG 4.08Å; W320-K398 HydrophobicContact CZ3-CB 4.31Å; W320-K398 HydrophobicContact CZ3-CG 3.85Å; W320-K398 WeakPolarHBondContact O-CD 3.32Å; W320-K398 WeakPolarHBondContact O-CE 3.5Å; W320-K398 PolarHBondContact O-NZ 3.08Å; L323-K398 HydrophobicContact CB-CD 4.05Å; L323-K398 WeakPolarHBondContact O-CD 3.37Å; L323-K398 PolarHBondContact O-NZ 3.43Å; G326-K398 WeakPolarHBondContact CA-O 3.45Å; G326-K398 PolarHBondContact N-O 3.41Å; G327-K398 PolarHBondContact O-N 3.25Å; F364-K398 HydrophobicContact CD1-CB 4.39Å; F364-K398 HydrophobicContact CE1-CB 4.09Å
399	P	98.3	Very high	98.1	Very high	43 Å²	43	46.4 Å²	46.4	28%	0.279	22%	0.218	S	C	.	.			trans	-52.4	153.6	178.8	-27.1	35	0	0	0	113	P325 G326 G363 Q365	P325-P399 WeakPolarHBondContact CA-O 3.33Å; G326-P399 PolarHBondContact N-O 3Å; G363-P399 WeakPolarHBondContact O-CD 3.38Å; G363-P399 VanDerWaalsContact O-CG 3.23Å; G363-P399 WeakPolarHBondContact O-CG 3.47Å; Q365-P399 HydrophobicContact CG-CG 4.26Å
400	Q	90.3	Very high	98	Very high	225 Å²	225	45.8 Å²	45.8	100%	1.051	22%	0.219	S	C	*	.			trans	-66	0	178.8	-74.2	-172.1	-4.7	0	0	113.4	P325	P325-Q400 WeakPolarHBondContact CB-OXT 3.15Å

Retrieved 400 of 400 residues in 169.5 ms (Link to these results)

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