A0A060X5S1_ONCMY Loading...

Thymidylate synthase

Catalyzes the reductive methylation of 2'-deoxyuridine 5'-monophosphate (dUMP) to thymidine 5'-monophosphate (dTMP), using the cosubstrate, 5,10- methylenetetrahydrofolate (CH2H4folate) as a 1-carbon donor and reductant and contributes to the de novo mitochondrial thymidylate biosynthesis pathway.

AlphaFold DB , UniProt , Accession A0A060X5S1, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene tyms, Length 319 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	40.3	Very low	35.2	Very low	239 Å²	239	146.1 Å²	146.1	100%	1.177	85%	0.847	S	S	*	*				0	124.2	0	-59	-170.7	-153.5	0	0	107.4
2	P	37.6	Very low	35.4	Very low	127 Å²	127	143.6 Å²	143.6	83%	0.825	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-84.9	120.2	168	29.8	-21.7	0	0	0	108.5
3	A	36.9	Very low	34.8	Very low	106 Å²	106	142.9 Å²	142.9	88%	0.876	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-83.5	116.4	169.7	0	0	0	0	0	108
4	T	42.4	Very low	34.4	Very low	129 Å²	129	143.1 Å²	143.1	79%	0.791	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-77.8	131.4	172.8	43.7	0	0	0	0	110
5	S	35.7	Very low	34.1	Very low	95 Å²	95	143.7 Å²	143.7	66%	0.664	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-62.5	141	165.4	50.9	0	0	0	0	111.1
6	D	33.8	Very low	33.8	Very low	154 Å²	154	147.1 Å²	147.1	82%	0.824	84%	0.843	S	S	*	*			trans	-142.6	120.2	146.6	-84	-43	0	0	0	110
7	I	33.4	Very low	34.1	Very low	143 Å²	143	150 Å²	150	73%	0.733	85%	0.848	S	S	*	*			trans	-92.8	125.2	177.4	-66.7	165.4	0	0	0	106.1	T9	I7-T9 HydrophobicContact CG2-CG2 4.42Å
8	H	34.3	Very low	34.1	Very low	187 Å²	187	148.1 Å²	148.1	87%	0.866	84%	0.842	S	S	*	*			trans	-114.8	112.7	163.6	-86	-56.4	0	0	0	110.1
9	T	29.3	Very low	33.9	Very low	129 Å²	129	150.9 Å²	150.9	79%	0.791	84%	0.844	S	S	*	*			trans	-81.4	136.8	166.8	38.4	0	0	0	0	110.2	I7	I7-T9 HydrophobicContact CG2-CG2 4.42Å
10	A	31.4	Very low	34.1	Very low	104 Å²	104	154.3 Å²	154.3	86%	0.86	85%	0.849	S	S	*	*			trans	-146.7	131.5	156.3	0	0	0	0	0	109.1
11	E	32.2	Very low	34	Very low	194 Å²	194	151.2 Å²	151.2	91%	0.907	84%	0.844	S	S	*	*			trans	-89.4	179.2	-170	-108.3	-171.7	-178.4	0	0	112.9
12	P	37.7	Very low	34.1	Very low	116 Å²	116	148 Å²	148	75%	0.753	83%	0.832	S	S	*	*			trans	-99.9	165.5	-133.2	40.5	-35.8	0	0	0	114.5
13	C	26.8	Very low	34	Very low	135 Å²	135	146.2 Å²	146.2	91%	0.912	82%	0.823	S	S	*	*			trans	-133.9	138.6	166	-143.8	0	0	0	0	112.3
14	N	29.3	Very low	34.2	Very low	145 Å²	145	150.8 Å²	150.8	78%	0.775	83%	0.826	S	S	*	*			trans	-58	149.1	-165.1	-78.1	-38.7	0	0	0	118.8
15	N	30.8	Very low	34.1	Very low	153 Å²	153	149.9 Å²	149.9	82%	0.818	82%	0.82	S	S	*	*			trans	26.3	119.2	137.3	-68.9	-13	0	0	0	120.3
16	E	29.3	Very low	34.5	Very low	197 Å²	197	148.6 Å²	148.6	92%	0.921	82%	0.821	S	S	*	*			trans	-159.4	121.3	134.4	-107.5	172.2	-159.9	0	0	109.7
17	E	37.9	Very low	34.8	Very low	197 Å²	197	150.5 Å²	150.5	92%	0.921	83%	0.825	S	S	*	*			trans	-79.9	141.6	169.1	-80.7	-173.7	160	0	0	110.6
18	P	34.8	Very low	35.5	Very low	115 Å²	115	147.9 Å²	147.9	75%	0.747	82%	0.82	S	S	*	*			trans	-133.7	123.9	141.3	30.3	-13.8	0	0	0	113.9
19	K	29.4	Very low	36.2	Very low	202 Å²	202	144 Å²	144	88%	0.878	81%	0.813	S	S	*	*			trans	43.3	114.3	136.6	-65.9	-178.7	178.8	176.5	0	119.1	A21	K19-A21 PolarHBondContact O-N 3.32Å
20	K	39	Very low	37.2	Very low	218 Å²	218	147.5 Å²	147.5	95%	0.948	82%	0.818	S	S	*	*			trans	-40.6	119.3	159.6	-75.6	176.8	172.6	179	0	112.7
21	A	31.5	Very low	39.1	Very low	90 Å²	90	146.3 Å²	146.3	74%	0.744	80%	0.804	S	S	*	*			trans	-117.4	114.7	152.5	0	0	0	0	0	107	K19 S23	K19-A21 PolarHBondContact O-N 3.32Å; A21-S23 PolarHBondContact O-N 3.08Å; A21-S23 VanDerWaalsContact O-N 3.08Å
22	D	43.7	Very low	41.3	Very low	173 Å²	173	142.7 Å²	142.7	93%	0.925	79%	0.79	S	S	*	*			trans	-61.5	106	168.9	-97.4	-33.7	0	0	0	108.7
23	S	34.8	Very low	43.3	Very low	89 Å²	89	140.8 Å²	140.8	62%	0.622	77%	0.77	S	S	*	*			trans	-127.1	107.6	156.6	63.1	0	0	0	0	107.3	A21 V25	A21-S23 PolarHBondContact O-N 3.08Å; A21-S23 VanDerWaalsContact O-N 3.08Å; S23-V25 PolarHBondContact O-N 3.32Å
24	Q	40.7	Very low	46	Very low	201 Å²	201	135.8 Å²	135.8	94%	0.939	74%	0.736	S	S	*	*			trans	-68.2	75.8	163.2	-76.7	-175.9	-11.2	0	0	108	G26	Q24-G26 PolarHBondContact O-N 2.79Å
25	V	40.2	Very low	48.9	Very low	111 Å²	111	132.9 Å²	132.9	67%	0.673	72%	0.721	S	S	*	*			trans	-72.6	108.4	157.3	-179.3	0	0	0	0	104.5	S23 Q27	S23-V25 PolarHBondContact O-N 3.32Å; V25-Q27 PolarHBondContact O-N 2.84Å
26	G	44.3	Very low	52.1	Low	67 Å²	67	125.7 Å²	125.7	69%	0.691	68%	0.682	S	S	*	*			trans	-48.9	115.2	173.3	0	0	0	0	0	108.5	Q24 S28	Q24-G26 PolarHBondContact O-N 2.79Å; G26-S28 VanDerWaalsContact C-N 3.32Å; G26-S28 PolarHBondContact O-N 2.97Å
27	Q	39.7	Very low	55.3	Low	194 Å²	194	121.6 Å²	121.6	91%	0.907	66%	0.658	S	S	*	*			trans	-60.8	101.4	174.2	-81.1	179.6	-26.7	0	0	106.9	V25 S29	V25-Q27 PolarHBondContact O-N 2.84Å; Q27-S29 VanDerWaalsContact C-N 3.26Å; Q27-S29 PolarHBondContact O-N 2.88Å
28	S	48.5	Very low	58	Low	88 Å²	88	112.5 Å²	112.5	62%	0.615	62%	0.617	S	S	*	*			trans	-59.7	95.7	162.3	161.8	0	0	0	0	106.4	G26 F30	G26-S28 VanDerWaalsContact C-N 3.32Å; G26-S28 PolarHBondContact O-N 2.97Å; S28-F30 PolarHBondContact O-N 2.98Å
29	S	48.9	Very low	61	Low	105 Å²	105	107 Å²	107	73%	0.734	58%	0.582	S	S	*	*			trans	-62	108.3	169.8	62.7	0	0	0	0	107.1	Q27 S31	Q27-S29 VanDerWaalsContact C-N 3.26Å; Q27-S29 PolarHBondContact O-N 2.88Å; S29-S31 VanDerWaalsContact C-N 3.31Å; S29-S31 PolarHBondContact O-N 3.42Å
30	F	50.9	Low	64.3	Low	203 Å²	203	97.6 Å²	97.6	89%	0.89	54%	0.541	S	S	*	.			trans	-64.3	96.1	169.4	-79.9	-89.3	0	0	0	107.8	S28	S28-F30 PolarHBondContact O-N 2.98Å
31	S	70.7	Confident	67.1	Low	80 Å²	80	90.9 Å²	90.9	56%	0.559	52%	0.515	S	S	*	.			trans	-89.8	116.5	170.9	-177.2	0	0	0	0	108.6	S29 F33	S29-S31 VanDerWaalsContact C-N 3.31Å; S29-S31 PolarHBondContact O-N 3.42Å; S31-F33 WeakPolarHBondContact CB-O 3.48Å; S31-F33 PolarHBondContact O-N 2.88Å; S31-F33 PolarHBondContact OG-N 2.69Å; S31-F33 PolarHBondContact OG-O 3.24Å
32	L	77.7	Confident	70.3	Confident	118 Å²	118	87.5 Å²	87.5	62%	0.618	48%	0.484	S	S	*	.	S	Bend	trans	-67.9	-21	168.9	-171.8	61.1	0	0	0	111.6
33	F	81.1	Confident	72.9	Confident	76 Å²	76	79.3 Å²	79.3	33%	0.333	44%	0.441	S	S	.	.			trans	-92.4	141.5	178.2	-59.5	-75.7	0	0	0	110.9	S31 R70 D253	S31-F33 WeakPolarHBondContact CB-O 3.48Å; S31-F33 PolarHBondContact O-N 2.88Å; S31-F33 PolarHBondContact OG-N 2.69Å; S31-F33 PolarHBondContact OG-O 3.24Å; F33-R70 WeakPolarHBondContact CA-O 3.39Å; F33-R70 HydrophobicContact CD1-CB 4.48Å; F33-R70 HydrophobicContact CD1-CG 3.75Å; F33-R70 HydrophobicContact CE1-CG 3.75Å; F33-D253 HydrophobicContact CE1-CB 4.36Å; F33-D253 VanDerWaalsContact CE1-CG 3.45Å; F33-D253 VanDerWaalsContact CE1-OD1 3.31Å; F33-D253 WeakPolarHBondContact CE1-OD1 3.3Å; F33-D253 WeakPolarHBondContact CE1-OD2 3.1Å; F33-D253 WeakPolarHBondContact CZ-OD2 3.5Å
34	C	83.1	Confident	75.9	Confident	30 Å²	30	79.1 Å²	79.1	20%	0.203	43%	0.43	C	S	.	.			trans	-117.1	-0.6	-171.6	61.9	0	0	0	0	115.1	R37 G38 T69 R70	C34-R37 CarbonylContact O-C 3.5Å; C34-R37 WeakPolarHBondContact O-CB 3.4Å; C34-R37 PolarHBondContact O-N 3.46Å; C34-G38 PolarHBondContact O-N 2.61Å; C34-T69 VanDerWaalsContact SG-CB 3.59Å; C34-R70 PolarHBondContact N-O 3.46Å; C34-R70 VanDerWaalsContact N-O 3.11Å; C34-R70 PolarHBondContact SG-N 2.75Å; C34-R70 PolarHBondContact SG-O 3.43Å
35	D	90.4	Very high	78.6	Confident	84 Å²	84	75.9 Å²	75.9	45%	0.449	41%	0.41	S	S	.	.	H	α-helix	trans	40.5	-151.1	-172.4	67.6	44.2	0	0	0	113.3	R37 G38 Y71 F282	D35-R37 PolarHBondContact O-N 2.76Å; D35-R37 WeakPolarHBondContact OD1-CB 3.31Å; D35-R37 PolarHBondContact OD1-N 3.33Å; D35-G38 PolarHBondContact O-N 2.98Å; D35-Y71 WeakPolarHBondContact O-CE1 3.47Å; D35-F282 HydrophobicContact CB-CE2 4.2Å
36	E	97.1	Very high	81.4	Confident	1 Å²	1	70.6 Å²	70.6	1%	0.005	38%	0.378	C	S	.	.	H	α-helix	trans	-65.4	-25.5	173.8	-179.8	157.6	-173	0	0	112.6	G38 Y39 L40 L80 T81 T82 I279 F282	E36-G38 PolarHBondContact O-N 2.85Å; E36-Y39 PolarHBondContact O-N 3.39Å; E36-L40 HydrophobicContact CG-CD1 4.39Å; E36-L40 HydrophobicContact CG-CG 4.41Å; E36-L40 PolarHBondContact O-N 3.11Å; E36-L80 HydrophobicContact CG-CD2 4.02Å; E36-T81 VanDerWaalsContact CD-N 3.3Å; E36-T81 PolarHBondContact OE1-N 3.26Å; E36-T81 WeakPolarHBondContact OE2-CB 2.95Å; E36-T81 PolarHBondContact OE2-N 3.07Å; E36-T81 PolarHBondContact OE2-OG1 3.4Å; E36-T82 VanDerWaalsContact OE1-CB 3.28Å; E36-T82 WeakPolarHBondContact OE1-CB 3.41Å; E36-T82 WeakPolarHBondContact OE1-CG2 3.35Å; E36-T82 PolarHBondContact OE1-N 3.39Å; E36-T82 PolarHBondContact OE1-OG1 3.24Å; E36-I279 HydrophobicContact CB-CD1 4.3Å; E36-I279 HydrophobicContact CB-CG1 4.42Å; E36-I279 HydrophobicContact CB-CG2 3.83Å; E36-I279 HydrophobicContact CG-CD1 4.49Å; E36-I279 HydrophobicContact CG-CG1 4.29Å; E36-I279 HydrophobicContact CG-CG2 4.32Å; E36-F282 HydrophobicContact CB-CE1 3.84Å; E36-F282 HydrophobicContact CB-CE2 4.38Å; E36-F282 HydrophobicContact CB-CZ 3.56Å; E36-F282 VanDerWaalsContact N-CZ 3.33Å
37	R	96.1	Very high	84	Confident	112 Å²	112	69.5 Å²	69.5	42%	0.423	36%	0.356	S	S	.	.	H	α-helix	trans	-59.1	-33.5	178.3	-178.5	57.3	61	179.7	1.5	111.6	C34 D35 L40 N41 I279	C34-R37 CarbonylContact O-C 3.5Å; C34-R37 WeakPolarHBondContact O-CB 3.4Å; C34-R37 PolarHBondContact O-N 3.46Å; D35-R37 PolarHBondContact O-N 2.76Å; D35-R37 WeakPolarHBondContact OD1-CB 3.31Å; D35-R37 PolarHBondContact OD1-N 3.33Å; R37-L40 PolarHBondContact O-N 3.06Å; R37-N41 WeakPolarHBondContact CD-OD1 3.37Å; R37-N41 VanDerWaalsContact O-CB 3.29Å; R37-N41 WeakPolarHBondContact O-CB 3.3Å; R37-N41 PolarHBondContact O-N 3.03Å; R37-N41 PolarHBondContact O-OD1 3.47Å; R37-I279 HydrophobicContact CB-CD1 3.87Å
38	G	95.5	Very high	86.8	Confident	6 Å²	6	66 Å²	66	6%	0.062	34%	0.34	C	S	.	.	H	α-helix	trans	-59.7	-46.7	176.6	0	0	0	0	0	113.1	C34 D35 E36 N41 Q42	C34-G38 PolarHBondContact O-N 2.61Å; D35-G38 PolarHBondContact O-N 2.98Å; E36-G38 PolarHBondContact O-N 2.85Å; G38-N41 PolarHBondContact O-N 3.06Å; G38-Q42 WeakPolarHBondContact O-CG 3.47Å; G38-Q42 PolarHBondContact O-N 2.64Å
39	Y	98.2	Very high	89.1	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-61.8	-45.7	174.5	163.7	-97.1	0	0	0	111.4	E36 Q42 C43 L80 K83 M225 V229 P230 I233	E36-Y39 PolarHBondContact O-N 3.39Å; Y39-Q42 PolarHBondContact O-N 2.84Å; Y39-C43 PolarHBondContact O-N 3.43Å; Y39-C43 PolarHBondContact O-SG 3.09Å; Y39-L80 HydrophobicContact CD1-CD1 3.61Å; Y39-L80 HydrophobicContact CD1-CD2 4.23Å; Y39-L80 HydrophobicContact CD2-CD1 4.36Å; Y39-L80 HydrophobicContact CE1-CD1 3.48Å; Y39-L80 VanDerWaalsContact CE1-CD1 3.48Å; Y39-L80 HydrophobicContact CE2-CD1 4.23Å; Y39-L80 HydrophobicContact CG-CD1 4.06Å; Y39-L80 HydrophobicContact CG-CD2 4.33Å; Y39-K83 PolarHBondContact OH-NZ 2.87Å; Y39-K83 VanDerWaalsContact OH-NZ 3.07Å; Y39-M225 HydrophobicContact CD2-CE 3.84Å; Y39-M225 HydrophobicContact CE2-CE 3.92Å; Y39-M225 VanDerWaalsContact CE2-O 3.3Å; Y39-M225 WeakPolarHBondContact CE2-O 3.25Å; Y39-M225 PolarHBondContact OH-O 2.82Å; Y39-V229 HydrophobicContact CD2-CG1 4Å; Y39-V229 HydrophobicContact CE2-CG1 4.16Å; Y39-P230 HydrophobicContact CE2-CG 3.94Å; Y39-I233 HydrophobicContact CD2-CD1 4.4Å
40	L	98.4	Very high	91.4	Very high	3 Å²	3	62.7 Å²	62.7	2%	0.016	31%	0.308	C	S	.	.	H	α-helix	trans	-65.6	-40.5	-179.7	-62.6	178.6	0	0	0	112.3	E36 R37 Q42 C43 E44 T82 Q274 L275 I279	E36-L40 HydrophobicContact CG-CD1 4.39Å; E36-L40 HydrophobicContact CG-CG 4.41Å; E36-L40 PolarHBondContact O-N 3.11Å; R37-L40 PolarHBondContact O-N 3.06Å; L40-Q42 VanDerWaalsContact C-N 3.32Å; L40-Q42 PolarHBondContact O-N 2.83Å; L40-C43 WeakPolarHBondContact O-CB 3.45Å; L40-C43 PolarHBondContact O-N 2.97Å; L40-E44 PolarHBondContact O-N 3.36Å; L40-T82 HydrophobicContact CD1-CG2 3.9Å; L40-Q274 HydrophobicContact CD2-CG 4.38Å; L40-L275 HydrophobicContact CB-CD2 3.99Å; L40-L275 HydrophobicContact CD2-CD2 4.17Å; L40-L275 WeakPolarHBondContact O-CD2 3.27Å; L40-I279 HydrophobicContact CD1-CD1 3.85Å; L40-I279 HydrophobicContact CD1-CG1 3.74Å
41	N	97.6	Very high	93.6	Very high	77 Å²	77	59.9 Å²	59.9	41%	0.412	30%	0.297	S	S	.	.	H	α-helix	trans	-63.6	-38.3	176.2	-72.9	0.7	0	0	0	111.2	R37 G38 E44 Y45	R37-N41 WeakPolarHBondContact CD-OD1 3.37Å; R37-N41 VanDerWaalsContact O-CB 3.29Å; R37-N41 WeakPolarHBondContact O-CB 3.3Å; R37-N41 PolarHBondContact O-N 3.03Å; R37-N41 PolarHBondContact O-OD1 3.47Å; G38-N41 PolarHBondContact O-N 3.06Å; N41-E44 PolarHBondContact O-N 2.79Å; N41-Y45 WeakPolarHBondContact O-CB 3.47Å; N41-Y45 PolarHBondContact O-N 2.79Å
42	Q	98	Very high	94.8	Very high	20 Å²	20	65 Å²	65	9%	0.093	30%	0.304	C	S	.	.	H	α-helix	trans	-63.6	-43.6	173	-73.3	-174.5	-4.4	0	0	111.6	G38 Y39 L40 Y45 I46 Q68 T69 M225	G38-Q42 WeakPolarHBondContact O-CG 3.47Å; G38-Q42 PolarHBondContact O-N 2.64Å; Y39-Q42 PolarHBondContact O-N 2.84Å; L40-Q42 VanDerWaalsContact C-N 3.32Å; L40-Q42 PolarHBondContact O-N 2.83Å; Q42-Y45 PolarHBondContact O-N 3.07Å; Q42-I46 WeakPolarHBondContact O-CD1 2.92Å; Q42-I46 VanDerWaalsContact O-CG1 3.25Å; Q42-I46 WeakPolarHBondContact O-CG1 3.49Å; Q42-I46 PolarHBondContact O-N 3.25Å; Q42-Q68 VanDerWaalsContact NE2-C 3.33Å; Q42-Q68 PolarHBondContact NE2-O 3.09Å; Q42-T69 HydrophobicContact CG-CG2 4.22Å; Q42-M225 HydrophobicContact CB-CE 3.7Å
43	C	98.4	Very high	95.6	Very high	1 Å²	1	63.4 Å²	63.4	1%	0.007	29%	0.292	C	S	.	.	H	α-helix	trans	-59.6	-48	174.9	-72	0	0	0	0	111.9	Y39 L40 I46 L47 I263 L275	Y39-C43 PolarHBondContact O-N 3.43Å; Y39-C43 PolarHBondContact O-SG 3.09Å; L40-C43 WeakPolarHBondContact O-CB 3.45Å; L40-C43 PolarHBondContact O-N 2.97Å; C43-I46 PolarHBondContact O-N 2.64Å; C43-L47 WeakPolarHBondContact O-CG 3.33Å; C43-L47 PolarHBondContact O-N 2.93Å; C43-I263 HydrophobicContact CB-CD1 4.44Å; C43-L275 HydrophobicContact CB-CD2 4.29Å
44	E	98.3	Very high	96.2	Very high	85 Å²	85	62.7 Å²	62.7	40%	0.397	31%	0.306	S	S	.	.	H	α-helix	trans	-61.4	-45.6	178	-178.8	167	-130.1	0	0	111.6	L40 N41 I46 L47 Q48 L275	L40-E44 PolarHBondContact O-N 3.36Å; N41-E44 PolarHBondContact O-N 2.79Å; E44-I46 VanDerWaalsContact C-N 3.35Å; E44-I46 PolarHBondContact O-N 3.06Å; E44-L47 PolarHBondContact O-N 3.28Å; E44-L47 VanDerWaalsContact O-N 3.16Å; E44-Q48 HydrophobicContact CG-CG 4.39Å; E44-Q48 VanDerWaalsContact CG-NE2 3.3Å; E44-Q48 WeakPolarHBondContact O-CG 3.14Å; E44-Q48 PolarHBondContact O-N 3.46Å; E44-Q48 PolarHBondContact OE1-NE2 3.49Å; E44-L275 HydrophobicContact CB-CD2 4.3Å
45	Y	98.4	Very high	96.5	Very high	132 Å²	132	63.2 Å²	63.2	52%	0.518	31%	0.307	S	S	.	.	H	α-helix	trans	-59	-44.8	177.2	-174.9	-89.9	0	0	0	111.9	N41 Q42 L47 Q48 H49 V64	N41-Y45 WeakPolarHBondContact O-CB 3.47Å; N41-Y45 PolarHBondContact O-N 2.79Å; Q42-Y45 PolarHBondContact O-N 3.07Å; Y45-L47 VanDerWaalsContact C-N 3.35Å; Y45-L47 PolarHBondContact O-N 2.77Å; Y45-Q48 PolarHBondContact O-N 3.27Å; Y45-H49 AromaticContact CD2-CD2 3.51Å; Y45-H49 HydrophobicContact CE1-CB 4.18Å; Y45-H49 HydrophobicContact CE2-CB 4.33Å; Y45-H49 AromaticContact CE2-CD2 3.56Å; Y45-H49 WeakPolarHBondContact O-CB 3.04Å; Y45-H49 PolarHBondContact O-N 3.41Å; Y45-V64 HydrophobicContact CD1-CG1 4.03Å; Y45-V64 HydrophobicContact CD1-CG2 4.47Å; Y45-V64 HydrophobicContact CE1-CB 4.43Å; Y45-V64 HydrophobicContact CE1-CG1 3.88Å
46	I	98.4	Very high	96.2	Very high	1 Å²	1	66.3 Å²	66.3	1%	0.005	31%	0.312	C	S	.	.	H	α-helix	trans	-62.7	-42.1	176.6	-68.3	161.2	0	0	0	110.9	Q42 C43 E44 Q48 G50 I62 V64 M225 A261 I263	Q42-I46 WeakPolarHBondContact O-CD1 2.92Å; Q42-I46 VanDerWaalsContact O-CG1 3.25Å; Q42-I46 WeakPolarHBondContact O-CG1 3.49Å; Q42-I46 PolarHBondContact O-N 3.25Å; C43-I46 PolarHBondContact O-N 2.64Å; E44-I46 VanDerWaalsContact C-N 3.35Å; E44-I46 PolarHBondContact O-N 3.06Å; I46-Q48 VanDerWaalsContact C-N 3.33Å; I46-Q48 PolarHBondContact O-N 3.3Å; I46-G50 WeakPolarHBondContact O-CA 3.36Å; I46-G50 PolarHBondContact O-N 3.22Å; I46-I62 HydrophobicContact CG2-CB 4.28Å; I46-I62 HydrophobicContact CG2-CG2 4Å; I46-I62 WeakPolarHBondContact CG2-O 3.5Å; I46-I62 WeakPolarHBondContact O-CG2 3.19Å; I46-V64 HydrophobicContact CD1-CG2 4.27Å; I46-V64 HydrophobicContact CG1-CB 4.42Å; I46-V64 HydrophobicContact CG1-CG1 4.06Å; I46-V64 HydrophobicContact CG1-CG2 3.63Å; I46-M225 HydrophobicContact CD1-CG 3.55Å; I46-M225 HydrophobicContact CD1-SD 4.22Å; I46-A261 HydrophobicContact CD1-CB 3.95Å; I46-I263 HydrophobicContact CB-CD1 3.95Å; I46-I263 HydrophobicContact CB-CG1 4.46Å; I46-I263 HydrophobicContact CG2-CB 4.25Å; I46-I263 HydrophobicContact CG2-CD1 3.78Å; I46-I263 HydrophobicContact CG2-CG1 3.93Å
47	L	98.2	Very high	95.7	Very high	43 Å²	43	67.5 Å²	67.5	23%	0.225	32%	0.32	C	S	.	.	H	α-helix	trans	-65.6	-34.8	179	-71	174.1	0	0	0	112.9	C43 E44 Y45 I62 I263 V268 K272 L275	C43-L47 WeakPolarHBondContact O-CG 3.33Å; C43-L47 PolarHBondContact O-N 2.93Å; E44-L47 PolarHBondContact O-N 3.28Å; E44-L47 VanDerWaalsContact O-N 3.16Å; Y45-L47 VanDerWaalsContact C-N 3.35Å; Y45-L47 PolarHBondContact O-N 2.77Å; L47-I62 HydrophobicContact CD2-CD1 4.28Å; L47-I263 HydrophobicContact CD1-CD1 4.43Å; L47-I263 HydrophobicContact CD2-CD1 3.79Å; L47-I263 HydrophobicContact CD2-CG2 4.39Å; L47-I263 HydrophobicContact CG-CD1 3.68Å; L47-V268 HydrophobicContact CD2-CB 4.46Å; L47-V268 HydrophobicContact CD2-CG1 3.99Å; L47-V268 HydrophobicContact CD2-CG2 4.13Å; L47-K272 HydrophobicContact CD1-CG 4.39Å; L47-L275 HydrophobicContact CD1-CD1 3.62Å
48	Q	98	Very high	95.4	Very high	122 Å²	122	65.6 Å²	65.6	57%	0.57	34%	0.335	S	S	*	.	H	α-helix	trans	-87	-37.9	-176.9	-68.1	179.3	5.8	0	0	113.2	E44 Y45 I46	E44-Q48 HydrophobicContact CG-CG 4.39Å; E44-Q48 VanDerWaalsContact CG-NE2 3.3Å; E44-Q48 WeakPolarHBondContact O-CG 3.14Å; E44-Q48 PolarHBondContact O-N 3.46Å; E44-Q48 PolarHBondContact OE1-NE2 3.49Å; Y45-Q48 PolarHBondContact O-N 3.27Å; I46-Q48 VanDerWaalsContact C-N 3.33Å; I46-Q48 PolarHBondContact O-N 3.3Å
49	H	97.9	Very high	95.2	Very high	103 Å²	103	67.6 Å²	67.6	48%	0.477	35%	0.346	S	S	.	.	H	α-helix	trans	-121.7	-7.2	-168.9	-57.4	-64.4	0	0	0	114	Y45	Y45-H49 AromaticContact CD2-CD2 3.51Å; Y45-H49 HydrophobicContact CE1-CB 4.18Å; Y45-H49 HydrophobicContact CE2-CB 4.33Å; Y45-H49 AromaticContact CE2-CD2 3.56Å; Y45-H49 WeakPolarHBondContact O-CB 3.04Å; Y45-H49 PolarHBondContact O-N 3.41Å
50	G	97.5	Very high	95.1	Very high	19 Å²	19	68.2 Å²	68.2	20%	0.196	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-71.9	153.9	-180	0	0	0	0	0	113.2	I46 S63	I46-G50 WeakPolarHBondContact O-CA 3.36Å; I46-G50 PolarHBondContact O-N 3.22Å; G50-S63 WeakPolarHBondContact CA-O 3.29Å
51	H	97.1	Very high	95.1	Very high	144 Å²	144	68.2 Å²	68.2	67%	0.667	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.2	138.4	177.3	-65.5	-81.8	0	0	0	110.6	I62 S63	H51-I62 WeakPolarHBondContact O-CA 3.45Å; H51-S63 PolarHBondContact N-O 3.19Å; H51-S63 PolarHBondContact O-N 3.06Å
52	R	96.3	Very high	95.1	Very high	187 Å²	187	65 Å²	65	71%	0.706	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.5	135.4	171.9	-71.2	-178.6	-177.9	-85.9	-0	110.3	V61 I62	R52-V61 VanDerWaalsContact CA-O 3.3Å; R52-V61 WeakPolarHBondContact CA-O 3.41Å; R52-I62 HydrophobicContact CG-CG1 4.14Å
53	K	93.9	Very high	95.1	Very high	85 Å²	85	64.6 Å²	64.6	37%	0.37	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	158.9	171	64.2	-178	-172	-156.1	0	110.9	G60 V61 S63 D260	K53-G60 WeakPolarHBondContact O-CA 3.43Å; K53-V61 HydrophobicContact CD-CG2 4.14Å; K53-V61 VanDerWaalsContact CE-CG2 3.48Å; K53-V61 HydrophobicContact CG-CG2 3.46Å; K53-V61 VanDerWaalsContact CG-CG2 3.46Å; K53-V61 PolarHBondContact N-O 3.11Å; K53-V61 PolarHBondContact O-N 3.5Å; K53-S63 WeakPolarHBondContact CD-OG 3.41Å; K53-S63 WeakPolarHBondContact CE-OG 3.28Å; K53-S63 PolarHBondContact NZ-OG 3.2Å; K53-D260 IonicContact NZ-OD1 3.99Å; K53-D260 PolarHBondContact NZ-OD1 2.71Å; K53-D260 IonicContact NZ-OD2 3.82Å; K53-D260 PolarHBondContact NZ-OD2 2.83Å
54	G	92.5	Very high	95.1	Very high	61 Å²	61	65.7 Å²	65.7	63%	0.629	34%	0.341	S	S	*	.			trans	-69	172.3	167.3	0	0	0	0	0	111.6
55	D	90	Very high	95.1	Very high	42 Å²	42	70 Å²	70	23%	0.225	36%	0.359	C	S	.	.			trans	-152	170.5	176.1	83.4	-70.9	0	0	0	110.7	T57 G58 T59 G60 V61	D55-T57 VanDerWaalsContact CG-OG1 3.23Å; D55-T57 PolarHBondContact O-N 3.45Å; D55-T57 VanDerWaalsContact O-N 3.14Å; D55-T57 PolarHBondContact OD1-OG1 2.83Å; D55-T57 WeakPolarHBondContact OD2-CA 3.48Å; D55-T57 WeakPolarHBondContact OD2-CB 3.18Å; D55-T57 WeakPolarHBondContact OD2-CG2 3.24Å; D55-T57 PolarHBondContact OD2-N 2.82Å; D55-T57 PolarHBondContact OD2-OG1 2.86Å; D55-G58 PolarHBondContact O-N 2.99Å; D55-G58 VanDerWaalsContact O-N 3.1Å; D55-G58 PolarHBondContact OD1-N 2.79Å; D55-T59 PolarHBondContact OD1-N 3.43Å; D55-T59 VanDerWaalsContact OD1-N 3.11Å; D55-G60 WeakPolarHBondContact OD1-CA 3.38Å; D55-G60 PolarHBondContact OD1-N 3.48Å; D55-V61 HydrophobicContact CB-CG1 4.31Å
56	R	85.3	Confident	95	Very high	148 Å²	148	65.9 Å²	65.9	56%	0.558	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-21.3	-177.1	67.1	168.7	-171.9	73.2	5.5	114.5	V319	R56-V319 PolarHBondContact NH1-OXT 3.29Å
57	T	85.1	Confident	94.8	Very high	27 Å²	27	67 Å²	67	17%	0.166	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-16.7	-179.9	74.5	0	0	0	0	112.3	D55 T59 Y264 A318	D55-T57 VanDerWaalsContact CG-OG1 3.23Å; D55-T57 PolarHBondContact O-N 3.45Å; D55-T57 VanDerWaalsContact O-N 3.14Å; D55-T57 PolarHBondContact OD1-OG1 2.83Å; D55-T57 WeakPolarHBondContact OD2-CA 3.48Å; D55-T57 WeakPolarHBondContact OD2-CB 3.18Å; D55-T57 WeakPolarHBondContact OD2-CG2 3.24Å; D55-T57 PolarHBondContact OD2-N 2.82Å; D55-T57 PolarHBondContact OD2-OG1 2.86Å; T57-T59 VanDerWaalsContact C-N 3.28Å; T57-T59 PolarHBondContact O-N 2.8Å; T57-T59 WeakPolarHBondContact OG1-CB 3.46Å; T57-T59 PolarHBondContact OG1-N 2.95Å; T57-T59 PolarHBondContact OG1-OG1 2.86Å; T57-Y264 HydrophobicContact CG2-CE1 4.5Å; T57-A318 HydrophobicContact CG2-CB 3.8Å
58	G	89.8	Confident	94.8	Very high	71 Å²	71	70.5 Å²	70.5	73%	0.732	38%	0.38	S	S	*	.	S	Bend	trans	79.9	1.4	-174.1	0	0	0	0	0	114.8	D55	D55-G58 PolarHBondContact O-N 2.99Å; D55-G58 VanDerWaalsContact O-N 3.1Å; D55-G58 PolarHBondContact OD1-N 2.79Å
59	T	92.9	Very high	94.7	Very high	48 Å²	48	65 Å²	65	29%	0.294	36%	0.355	S	S	.	.	S	Bend	trans	-74.4	-32.8	179.1	-56.2	0	0	0	0	112.1	D55 T57 Y264 N266	D55-T59 PolarHBondContact OD1-N 3.43Å; D55-T59 VanDerWaalsContact OD1-N 3.11Å; T57-T59 VanDerWaalsContact C-N 3.28Å; T57-T59 PolarHBondContact O-N 2.8Å; T57-T59 WeakPolarHBondContact OG1-CB 3.46Å; T57-T59 PolarHBondContact OG1-N 2.95Å; T57-T59 PolarHBondContact OG1-OG1 2.86Å; T59-Y264 HydrophobicContact CG2-CD1 3.86Å; T59-Y264 HydrophobicContact CG2-CG 4.5Å; T59-N266 HydrophobicContact CG2-CB 4.3Å
60	G	95.6	Very high	94.8	Very high	13 Å²	13	63.8 Å²	63.8	13%	0.134	35%	0.346	C	S	.	.			trans	74.7	151.3	-170.8	0	0	0	0	0	112.4	K53 D55 S265	K53-G60 WeakPolarHBondContact O-CA 3.43Å; D55-G60 WeakPolarHBondContact OD1-CA 3.38Å; D55-G60 PolarHBondContact OD1-N 3.48Å; G60-S265 VanDerWaalsContact C-OG 3.28Å; G60-S265 WeakPolarHBondContact O-CB 3.48Å; G60-S265 PolarHBondContact O-N 3Å; G60-S265 PolarHBondContact O-OG 3.45Å
61	V	97.6	Very high	94.8	Very high	4 Å²	4	63 Å²	63	2%	0.024	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	160.8	-177	-57.3	0	0	0	0	111.9	R52 K53 D55 H262 I263 Y264	R52-V61 VanDerWaalsContact CA-O 3.3Å; R52-V61 WeakPolarHBondContact CA-O 3.41Å; K53-V61 HydrophobicContact CD-CG2 4.14Å; K53-V61 VanDerWaalsContact CE-CG2 3.48Å; K53-V61 HydrophobicContact CG-CG2 3.46Å; K53-V61 VanDerWaalsContact CG-CG2 3.46Å; K53-V61 PolarHBondContact N-O 3.11Å; K53-V61 PolarHBondContact O-N 3.5Å; D55-V61 HydrophobicContact CB-CG1 4.31Å; V61-H262 HydrophobicContact CB-CB 4.11Å; V61-H262 HydrophobicContact CG1-CB 4.49Å; V61-H262 HydrophobicContact CG2-CB 4.24Å; V61-I263 CarbonylContact C-O 3.05Å; V61-I263 VanDerWaalsContact CA-O 3.3Å; V61-I263 WeakPolarHBondContact CA-O 3.29Å; V61-Y264 HydrophobicContact CG1-CD1 3.57Å; V61-Y264 HydrophobicContact CG1-CE1 3.73Å; V61-Y264 HydrophobicContact CG1-CG 4.14Å
62	I	98.1	Very high	94.8	Very high	10 Å²	10	57 Å²	57	5%	0.051	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	122.4	160.8	-52.9	172.6	0	0	0	106.1	I46 L47 H51 R52 H262 I263 V268	I46-I62 HydrophobicContact CG2-CB 4.28Å; I46-I62 HydrophobicContact CG2-CG2 4Å; I46-I62 WeakPolarHBondContact CG2-O 3.5Å; I46-I62 WeakPolarHBondContact O-CG2 3.19Å; L47-I62 HydrophobicContact CD2-CD1 4.28Å; H51-I62 WeakPolarHBondContact O-CA 3.45Å; R52-I62 HydrophobicContact CG-CG1 4.14Å; I62-H262 CarbonylContact O-C 3.5Å; I62-H262 VanDerWaalsContact O-CA 3.28Å; I62-H262 WeakPolarHBondContact O-CA 3.23Å; I62-I263 PolarHBondContact N-O 3.49Å; I62-I263 PolarHBondContact O-N 3.25Å; I62-V268 HydrophobicContact CD1-CG2 3.8Å
63	S	97.7	Very high	94.9	Very high	11 Å²	11	48.1 Å²	48.1	8%	0.077	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	153.1	-171.8	67.2	0	0	0	0	114.1	G50 H51 K53 D260 A261	G50-S63 WeakPolarHBondContact CA-O 3.29Å; H51-S63 PolarHBondContact N-O 3.19Å; H51-S63 PolarHBondContact O-N 3.06Å; K53-S63 WeakPolarHBondContact CD-OG 3.41Å; K53-S63 WeakPolarHBondContact CE-OG 3.28Å; K53-S63 PolarHBondContact NZ-OG 3.2Å; S63-D260 WeakPolarHBondContact CB-OD1 3.17Å; S63-A261 WeakPolarHBondContact CA-O 3.23Å
64	V	98.1	Very high	95	Very high	23 Å²	23	48.3 Å²	48.3	14%	0.139	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	159.3	164.7	-57	0	0	0	0	109.1	Y45 I46 A261	Y45-V64 HydrophobicContact CD1-CG1 4.03Å; Y45-V64 HydrophobicContact CD1-CG2 4.47Å; Y45-V64 HydrophobicContact CE1-CB 4.43Å; Y45-V64 HydrophobicContact CE1-CG1 3.88Å; I46-V64 HydrophobicContact CD1-CG2 4.27Å; I46-V64 HydrophobicContact CG1-CB 4.42Å; I46-V64 HydrophobicContact CG1-CG1 4.06Å; I46-V64 HydrophobicContact CG1-CG2 3.63Å; V64-A261 HydrophobicContact CG2-CB 4.12Å; V64-A261 PolarHBondContact N-O 2.96Å; V64-A261 PolarHBondContact O-N 3.14Å
65	F	98	Very high	95.1	Very high	175 Å²	175	52.1 Å²	52.1	77%	0.768	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.4	119.7	179.8	-171.9	-109.7	0	0	0	110.7	G259	F65-G259 WeakPolarHBondContact CA-O 3.38Å
66	G	96.4	Very high	95.4	Very high	46 Å²	46	53 Å²	53	47%	0.474	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	86.3	116.5	-175.7	0	0	0	0	0	112.2	L258 G259	G66-L258 CarbonylContact C-O 3.42Å; G66-L258 VanDerWaalsContact CA-O 3.27Å; G66-L258 WeakPolarHBondContact CA-O 3.33Å; G66-G259 PolarHBondContact N-O 3.33Å
67	S	95.6	Very high	96	Very high	26 Å²	26	46 Å²	46	18%	0.182	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	159.5	162.6	62.1	0	0	0	0	110.3	T257 L258	S67-T257 WeakPolarHBondContact O-CA 3.17Å; S67-L258 PolarHBondContact N-O 2.85Å; S67-L258 PolarHBondContact O-N 2.83Å
68	Q	97.1	Very high	96.7	Very high	115 Å²	115	44.7 Å²	44.7	54%	0.537	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	142.8	179	-167.1	175.8	87.6	0	0	111	Q42 V255 H256 T257	Q42-Q68 VanDerWaalsContact NE2-C 3.33Å; Q42-Q68 PolarHBondContact NE2-O 3.09Å; Q68-V255 HydrophobicContact CG-CG1 3.74Å; Q68-H256 CarbonylContact C-O 3.56Å; Q68-H256 VanDerWaalsContact CA-O 3.26Å; Q68-H256 WeakPolarHBondContact CA-O 3.33Å; Q68-T257 PolarHBondContact NE2-OG1 2.87Å
69	T	97.3	Very high	97.1	Very high	8 Å²	8	41.3 Å²	41.3	5%	0.049	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	154.6	170.4	44.4	0	0	0	0	109.8	C34 Q42 Y71 V255 H256	C34-T69 VanDerWaalsContact SG-CB 3.59Å; Q42-T69 HydrophobicContact CG-CG2 4.22Å; T69-Y71 VanDerWaalsContact OG1-CE2 3.28Å; T69-Y71 WeakPolarHBondContact OG1-CE2 3.49Å; T69-Y71 PolarHBondContact OG1-OH 3.44Å; T69-V255 CarbonylContact O-C 3.35Å; T69-V255 WeakPolarHBondContact O-CA 3.47Å; T69-H256 PolarHBondContact N-O 2.99Å; T69-H256 PolarHBondContact O-N 2.83Å
70	R	98	Very high	97.3	Very high	77 Å²	77	39.1 Å²	39.1	29%	0.291	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	122.8	176.2	-174.8	179.8	-166.4	144.4	-3.8	109.9	F33 C34 D253 F254 V255	F33-R70 WeakPolarHBondContact CA-O 3.39Å; F33-R70 HydrophobicContact CD1-CB 4.48Å; F33-R70 HydrophobicContact CD1-CG 3.75Å; F33-R70 HydrophobicContact CE1-CG 3.75Å; C34-R70 PolarHBondContact N-O 3.46Å; C34-R70 VanDerWaalsContact N-O 3.11Å; C34-R70 PolarHBondContact SG-N 2.75Å; C34-R70 PolarHBondContact SG-O 3.43Å; R70-D253 HydrophobicContact CG-CB 4.44Å; R70-D253 IonicContact CZ-OD2 2.7Å; R70-D253 IonicContact NE-OD2 3.41Å; R70-D253 PolarHBondContact NE-OD2 3.27Å; R70-D253 IonicContact NH2-OD2 3.92Å; R70-D253 PolarHBondContact NH2-OD2 3.16Å; R70-F254 WeakPolarHBondContact CA-O 3.43Å; R70-V255 HydrophobicContact CB-CG2 4.43Å; R70-V255 HydrophobicContact CG-CG2 3.93Å
71	Y	98.1	Very high	97.5	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.008	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	130.6	178.5	-53.1	-89.7	0	0	0	108.5	D35 T69 P78 I233 D253 F254 H256 F282	D35-Y71 WeakPolarHBondContact O-CE1 3.47Å; T69-Y71 VanDerWaalsContact OG1-CE2 3.28Å; T69-Y71 WeakPolarHBondContact OG1-CE2 3.49Å; T69-Y71 PolarHBondContact OG1-OH 3.44Å; Y71-P78 HydrophobicContact CD1-CB 3.89Å; Y71-P78 HydrophobicContact CG-CB 4.04Å; Y71-I233 HydrophobicContact CD2-CG2 4.24Å; Y71-I233 HydrophobicContact CE1-CG2 4.45Å; Y71-I233 HydrophobicContact CE2-CD1 4.23Å; Y71-I233 HydrophobicContact CE2-CG1 4.1Å; Y71-I233 HydrophobicContact CE2-CG2 4.06Å; Y71-I233 WeakPolarHBondContact OH-CD1 3.46Å; Y71-D253 WeakPolarHBondContact O-CA 3.45Å; Y71-F254 AromaticContact CD2-CD1 3.68Å; Y71-F254 HydrophobicContact CD2-CD1 3.68Å; Y71-F254 HydrophobicContact CD2-CE1 4.22Å; Y71-F254 HydrophobicContact CE2-CD1 4.3Å; Y71-F254 HydrophobicContact CE2-CE1 4.41Å; Y71-F254 PolarHBondContact N-O 2.89Å; Y71-F254 PolarHBondContact O-N 2.87Å; Y71-H256 HydrophobicContact CE2-CB 4.45Å; Y71-F282 HydrophobicContact CD1-CE2 4.47Å; Y71-F282 HydrophobicContact CD1-CZ 4.47Å
72	S	97.5	Very high	97.5	Very high	19 Å²	19	38.3 Å²	38.3	13%	0.133	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	136.4	166	-169.2	0	0	0	0	108.9	R74 Q76	S72-R74 PolarHBondContact OG-N 3.14Å; S72-R74 PolarHBondContact OG-NH1 3.42Å; S72-Q76 VanDerWaalsContact O-CG 3.24Å; S72-Q76 WeakPolarHBondContact O-CG 3.29Å
73	L	98.1	Very high	97.6	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.195	C	C	.	.			trans	-98	-0.5	174.5	-53.8	-176.3	0	0	0	112	D75 Q76 P78 A237 T240 Y241 P251 G252 F254	L73-D75 PolarHBondContact O-N 3.01Å; L73-Q76 CarbonylContact C-O 3.54Å; L73-Q76 VanDerWaalsContact O-O 3.12Å; L73-P78 HydrophobicContact CD2-CG 3.76Å; L73-A237 HydrophobicContact CD2-CB 3.78Å; L73-T240 HydrophobicContact CD1-CG2 3.75Å; L73-Y241 HydrophobicContact CB-CE2 3.79Å; L73-Y241 HydrophobicContact CD1-CD2 4.26Å; L73-Y241 HydrophobicContact CD1-CE2 4.24Å; L73-Y241 HydrophobicContact CD2-CE2 4.3Å; L73-Y241 HydrophobicContact CG-CE2 4.34Å; L73-Y241 PolarHBondContact O-OH 3.29Å; L73-P251 HydrophobicContact CB-CB 3.84Å; L73-P251 HydrophobicContact CD1-CB 4.2Å; L73-G252 WeakPolarHBondContact CA-O 3.26Å; L73-G252 VanDerWaalsContact CB-O 3.23Å; L73-G252 WeakPolarHBondContact CB-O 3.49Å; L73-G252 PolarHBondContact N-O 3.02Å; L73-F254 HydrophobicContact CD1-CB 4.14Å; L73-F254 HydrophobicContact CD2-CB 3.92Å; L73-F254 HydrophobicContact CG-CB 4.17Å
74	R	96.8	Very high	97.6	Very high	88 Å²	88	43.8 Å²	43.8	33%	0.332	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	120.2	178.3	-59.9	-179.4	-165.5	77.1	3.1	109.5	S72 Q76 E213 D253	S72-R74 PolarHBondContact OG-N 3.14Å; S72-R74 PolarHBondContact OG-NH1 3.42Å; R74-Q76 PolarHBondContact O-N 2.78Å; R74-Q76 PolarHBondContact O-NE2 3.45Å; R74-E213 WeakPolarHBondContact CD-OE1 3.33Å; R74-E213 IonicContact CZ-OE1 3.52Å; R74-E213 IonicContact CZ-OE2 2.94Å; R74-E213 VanDerWaalsContact NE-CD 3.29Å; R74-E213 IonicContact NE-OE1 2.76Å; R74-E213 PolarHBondContact NE-OE1 2.75Å; R74-E213 IonicContact NE-OE2 3.74Å; R74-E213 PolarHBondContact NE-OE2 3.35Å; R74-E213 IonicContact NH2-OE1 3.46Å; R74-E213 IonicContact NH2-OE2 3.4Å; R74-E213 PolarHBondContact NH2-OE2 2.7Å; R74-D253 IonicContact CZ-OD1 3.74Å; R74-D253 IonicContact NH1-OD1 2.7Å; R74-D253 PolarHBondContact NH1-OD1 3.02Å; R74-D253 IonicContact NH2-OD1 3.67Å; R74-D253 PolarHBondContact NH2-OD1 2.76Å
75	D	94	Very high	97.6	Very high	141 Å²	141	43.1 Å²	43.1	75%	0.754	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.5	21.4	178.3	-66.5	-40.7	0	0	0	116	L73 K284	L73-D75 PolarHBondContact O-N 3.01Å; D75-K284 WeakPolarHBondContact O-CE 3.4Å
76	Q	96.6	Very high	97.5	Very high	61 Å²	61	39.2 Å²	39.2	29%	0.285	19%	0.193	S	C	.	.			trans	-158.4	156.4	179.5	70.4	-164.7	-59.2	0	0	112	S72 L73 R74 Y241 F282	S72-Q76 VanDerWaalsContact O-CG 3.24Å; S72-Q76 WeakPolarHBondContact O-CG 3.29Å; L73-Q76 CarbonylContact C-O 3.54Å; L73-Q76 VanDerWaalsContact O-O 3.12Å; R74-Q76 PolarHBondContact O-N 2.78Å; R74-Q76 PolarHBondContact O-NE2 3.45Å; Q76-Y241 PolarHBondContact O-OH 2.9Å; Q76-F282 HydrophobicContact CB-CB 4.28Å
77	F	98.4	Very high	97.6	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	18%	0.178	C	C	.	.			trans	-123.4	119.7	177.5	-175.8	-106.2	0	0	0	109.9	L79 W87 A234 A237 L238 Y241 P283 L285 I304	F77-L79 HydrophobicContact CD1-CB 3.79Å; F77-L79 HydrophobicContact CE1-CB 4Å; F77-L79 HydrophobicContact CE1-CD1 4.49Å; F77-L79 PolarHBondContact O-N 3.36Å; F77-W87 HydrophobicContact CE1-CE3 4.15Å; F77-W87 HydrophobicContact CE1-CH2 4.28Å; F77-W87 AromaticContact CE1-CZ3 3.52Å; F77-W87 HydrophobicContact CE1-CZ3 3.52Å; F77-W87 HydrophobicContact CZ-CH2 4.15Å; F77-W87 AromaticContact CZ-CZ3 3.58Å; F77-W87 HydrophobicContact CZ-CZ3 3.58Å; F77-A234 HydrophobicContact CE1-CB 4.11Å; F77-A234 HydrophobicContact CZ-CB 4.05Å; F77-A234 WeakPolarHBondContact CZ-O 3.14Å; F77-A237 HydrophobicContact CD2-CB 4.36Å; F77-A237 HydrophobicContact CE2-CB 3.83Å; F77-A237 HydrophobicContact CZ-CB 4.48Å; F77-L238 HydrophobicContact CE2-CB 4.13Å; F77-L238 HydrophobicContact CZ-CB 4.17Å; F77-Y241 HydrophobicContact CD2-CD2 4.26Å; F77-Y241 AromaticContact CD2-CE2 3.92Å; F77-Y241 HydrophobicContact CD2-CE2 3.92Å; F77-P283 PolarHBondContact N-O 3.33Å; F77-P283 WeakPolarHBondContact O-CD 3.47Å; F77-L285 HydrophobicContact CB-CB 3.83Å; F77-L285 HydrophobicContact CD2-CB 3.86Å; F77-L285 HydrophobicContact CD2-CD2 3.85Å; F77-L285 HydrophobicContact CD2-CG 4.44Å; F77-L285 HydrophobicContact CE2-CD2 3.92Å; F77-L285 HydrophobicContact CG-CB 3.86Å; F77-I304 HydrophobicContact CD1-CD1 3.77Å; F77-I304 HydrophobicContact CE1-CD1 4.01Å; F77-I304 HydrophobicContact CG-CD1 4.49Å
78	P	98.2	Very high	97.6	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.006	19%	0.19	C	C	.	.			trans	-74.6	71.8	-171.5	32.1	-37.1	0	0	0	112.1	Y71 L73 I233 A237 F282	Y71-P78 HydrophobicContact CD1-CB 3.89Å; Y71-P78 HydrophobicContact CG-CB 4.04Å; L73-P78 HydrophobicContact CD2-CG 3.76Å; P78-I233 HydrophobicContact CB-CG2 3.81Å; P78-I233 HydrophobicContact CG-CG2 3.94Å; P78-I233 WeakPolarHBondContact O-CG2 3.44Å; P78-A237 HydrophobicContact CG-CB 3.62Å; P78-F282 HydrophobicContact CB-CE2 4.25Å; P78-F282 HydrophobicContact CB-CZ 4.17Å
79	L	98.5	Very high	97.7	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	16%	0.164	C	C	.	.			trans	-108	111.6	173.9	-172.7	67.4	0	0	0	108.4	F77 T81 V85 I90 A234 F282 P283 I304 Y307	F77-L79 HydrophobicContact CD1-CB 3.79Å; F77-L79 HydrophobicContact CE1-CB 4Å; F77-L79 HydrophobicContact CE1-CD1 4.49Å; F77-L79 PolarHBondContact O-N 3.36Å; L79-T81 PolarHBondContact O-N 2.83Å; L79-V85 HydrophobicContact CD1-CB 3.67Å; L79-V85 HydrophobicContact CD1-CG1 3.73Å; L79-V85 HydrophobicContact CD1-CG2 4.3Å; L79-V85 HydrophobicContact CG-CB 4.33Å; L79-I90 HydrophobicContact CD1-CD1 4.13Å; L79-A234 HydrophobicContact CD1-CB 3.9Å; L79-F282 WeakPolarHBondContact O-CD1 3.29Å; L79-P283 HydrophobicContact CB-CG 3.84Å; L79-P283 HydrophobicContact CD2-CG 4.31Å; L79-I304 HydrophobicContact CD2-CG2 4.36Å; L79-Y307 HydrophobicContact CB-CE2 4.33Å; L79-Y307 HydrophobicContact CD2-CD1 3.91Å; L79-Y307 HydrophobicContact CD2-CD2 3.96Å; L79-Y307 HydrophobicContact CD2-CE1 3.64Å; L79-Y307 HydrophobicContact CD2-CE2 3.7Å; L79-Y307 HydrophobicContact CD2-CG 4.07Å; L79-Y307 HydrophobicContact CG-CD2 4.42Å; L79-Y307 HydrophobicContact CG-CE1 4.33Å; L79-Y307 HydrophobicContact CG-CE2 3.79Å
80	L	98.6	Very high	97.7	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	16%	0.162	C	C	.	.			trans	-50.4	140.7	-172.4	-55.6	-169	0	0	0	112.5	E36 Y39 V85 P230 F282 Y307	E36-L80 HydrophobicContact CG-CD2 4.02Å; Y39-L80 HydrophobicContact CD1-CD1 3.61Å; Y39-L80 HydrophobicContact CD1-CD2 4.23Å; Y39-L80 HydrophobicContact CD2-CD1 4.36Å; Y39-L80 HydrophobicContact CE1-CD1 3.48Å; Y39-L80 VanDerWaalsContact CE1-CD1 3.48Å; Y39-L80 HydrophobicContact CE2-CD1 4.23Å; Y39-L80 HydrophobicContact CG-CD1 4.06Å; Y39-L80 HydrophobicContact CG-CD2 4.33Å; L80-V85 HydrophobicContact CB-CG2 3.92Å; L80-V85 HydrophobicContact CG-CG2 4.49Å; L80-P230 HydrophobicContact CD1-CB 3.67Å; L80-P230 HydrophobicContact CD1-CG 3.68Å; L80-P230 HydrophobicContact CG-CB 4.27Å; L80-F282 HydrophobicContact CD2-CE1 4.46Å; L80-Y307 VanDerWaalsContact O-CE2 3.31Å; L80-Y307 WeakPolarHBondContact O-CE2 3.45Å; L80-Y307 PolarHBondContact O-OH 2.77Å
81	T	98.7	Very high	97.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	15%	0.15	C	C	.	.	S	Bend	trans	-110.6	-23	-177.1	71.3	0	0	0	0	112.4	E36 L79 K83 R280 P281 F282 Y307 P309 H310	E36-T81 VanDerWaalsContact CD-N 3.3Å; E36-T81 PolarHBondContact OE1-N 3.26Å; E36-T81 WeakPolarHBondContact OE2-CB 2.95Å; E36-T81 PolarHBondContact OE2-N 3.07Å; E36-T81 PolarHBondContact OE2-OG1 3.4Å; L79-T81 PolarHBondContact O-N 2.83Å; T81-K83 PolarHBondContact O-N 3.29Å; T81-R280 HydrophobicContact CG2-CB 4.34Å; T81-R280 WeakPolarHBondContact CG2-O 3.28Å; T81-R280 PolarHBondContact OG1-N 2.78Å; T81-R280 PolarHBondContact OG1-O 2.83Å; T81-R280 VanDerWaalsContact OG1-O 3.09Å; T81-P281 WeakPolarHBondContact CG2-O 3.19Å; T81-F282 HydrophobicContact CG2-CD1 4.28Å; T81-Y307 HydrophobicContact CG2-CE2 4.48Å; T81-P309 CarbonylContact O-C 3.54Å; T81-P309 VanDerWaalsContact O-CA 3.29Å; T81-P309 WeakPolarHBondContact O-CA 3.07Å; T81-H310 PolarHBondContact O-CD2 3.42Å; T81-H310 PolarHBondContact O-N 3.29Å
82	T	98.7	Very high	97.8	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	15%	0.153	C	C	.	.	S	Bend	trans	-67.7	-11.5	173.4	56.1	0	0	0	0	112.9	E36 L40 Q274 R277 I279	E36-T82 VanDerWaalsContact OE1-CB 3.28Å; E36-T82 WeakPolarHBondContact OE1-CB 3.41Å; E36-T82 WeakPolarHBondContact OE1-CG2 3.35Å; E36-T82 PolarHBondContact OE1-N 3.39Å; E36-T82 PolarHBondContact OE1-OG1 3.24Å; L40-T82 HydrophobicContact CD1-CG2 3.9Å; T82-Q274 WeakPolarHBondContact OG1-CG 3.28Å; T82-Q274 PolarHBondContact OG1-NE2 3.41Å; T82-R277 HydrophobicContact CG2-CB 4.19Å; T82-R277 WeakPolarHBondContact O-CD 3.35Å; T82-R277 PolarHBondContact O-NH1 3.08Å; T82-I279 HydrophobicContact CG2-CG1 4.07Å
83	K	98.4	Very high	97.9	Very high	13 Å²	13	34 Å²	34	6%	0.057	15%	0.151	C	C	.	.	S	Bend	trans	-149.2	151.6	162.5	68.1	-177.2	168.4	-150.1	0	110	Y39 T81 V85 G226 Y307 I313	Y39-K83 PolarHBondContact OH-NZ 2.87Å; Y39-K83 VanDerWaalsContact OH-NZ 3.07Å; T81-K83 PolarHBondContact O-N 3.29Å; K83-V85 HydrophobicContact CG-CG2 4.49Å; K83-V85 PolarHBondContact O-N 2.83Å; K83-G226 PolarHBondContact NZ-O 2.75Å; K83-Y307 PolarHBondContact O-OH 3.16Å; K83-I313 HydrophobicContact CB-CD1 4.29Å; K83-I313 HydrophobicContact CB-CG1 4.34Å
84	R	98.1	Very high	97.9	Very high	123 Å²	123	34 Å²	34	46%	0.464	15%	0.151	S	C	.	.			trans	-67.1	123.9	170.6	-176.9	174.1	-64	-80.2	-3.4	110.7	P309 H310	R84-P309 HydrophobicContact CB-CB 4.39Å; R84-P309 HydrophobicContact CB-CG 4.02Å; R84-P309 HydrophobicContact CG-CG 4.2Å; R84-H310 PolarHBondContact N-O 2.97Å; R84-H310 VanDerWaalsContact N-O 3.09Å
85	V	97.7	Very high	98	Very high	10 Å²	10	31 Å²	31	6%	0.061	14%	0.141	C	C	.	.			trans	-100.9	143	175.9	-177.4	0	0	0	0	109.7	L79 L80 K83 W87 I90 P230 Y307	L79-V85 HydrophobicContact CD1-CB 3.67Å; L79-V85 HydrophobicContact CD1-CG1 3.73Å; L79-V85 HydrophobicContact CD1-CG2 4.3Å; L79-V85 HydrophobicContact CG-CB 4.33Å; L80-V85 HydrophobicContact CB-CG2 3.92Å; L80-V85 HydrophobicContact CG-CG2 4.49Å; K83-V85 HydrophobicContact CG-CG2 4.49Å; K83-V85 PolarHBondContact O-N 2.83Å; V85-W87 PolarHBondContact O-N 3.19Å; V85-I90 HydrophobicContact CG1-CD1 3.53Å; V85-P230 HydrophobicContact CG2-CB 4.39Å; V85-Y307 PolarHBondContact N-OH 2.96Å
86	F	96.6	Very high	98.2	Very high	93 Å²	93	24.6 Å²	24.6	41%	0.408	11%	0.106	S	C	.	.			trans	-81.8	82.1	-175.4	-178.5	-131.2	0	0	0	111.8	K88 G89 I90 V112 F231	F86-K88 HydrophobicContact CE2-CB 3.88Å; F86-K88 HydrophobicContact CZ-CB 4.03Å; F86-K88 HydrophobicContact CZ-CG 4.47Å; F86-K88 PolarHBondContact O-N 2.81Å; F86-G89 PolarHBondContact O-N 3.06Å; F86-G89 VanDerWaalsContact O-N 3.13Å; F86-I90 PolarHBondContact O-N 3.47Å; F86-V112 HydrophobicContact CE1-CG2 4.41Å; F86-F231 HydrophobicContact CB-CE1 4.31Å; F86-F231 HydrophobicContact CB-CZ 3.82Å; F86-F231 HydrophobicContact CD1-CE1 4.46Å; F86-F231 HydrophobicContact CD1-CZ 4.43Å
87	W	97.8	Very high	98.3	Very high	44 Å²	44	21.7 Å²	21.7	17%	0.167	9%	0.093	C	C	.	.	H	α-helix	trans	-49.7	-49.1	-178.4	171.1	-115.6	0	0	0	114.3	F77 V85 G89 I90 L91 L238 L285 F302 I304	F77-W87 HydrophobicContact CE1-CE3 4.15Å; F77-W87 HydrophobicContact CE1-CH2 4.28Å; F77-W87 AromaticContact CE1-CZ3 3.52Å; F77-W87 HydrophobicContact CE1-CZ3 3.52Å; F77-W87 HydrophobicContact CZ-CH2 4.15Å; F77-W87 AromaticContact CZ-CZ3 3.58Å; F77-W87 HydrophobicContact CZ-CZ3 3.58Å; V85-W87 PolarHBondContact O-N 3.19Å; W87-G89 PolarHBondContact O-N 2.84Å; W87-I90 WeakPolarHBondContact O-CB 3.38Å; W87-I90 PolarHBondContact O-N 2.58Å; W87-I90 VanDerWaalsContact O-N 3.08Å; W87-L91 HydrophobicContact CZ2-CB 4.23Å; W87-L91 HydrophobicContact CZ2-CD2 3.96Å; W87-L91 HydrophobicContact CZ2-CG 4.48Å; W87-L91 PolarHBondContact O-N 2.86Å; W87-L238 HydrophobicContact CH2-CD1 3.95Å; W87-L238 HydrophobicContact CH2-CD2 3.74Å; W87-L238 HydrophobicContact CH2-CG 4.36Å; W87-L238 HydrophobicContact CZ3-CD2 4.18Å; W87-L285 HydrophobicContact CH2-CD1 3.93Å; W87-L285 HydrophobicContact CZ2-CD1 4.06Å; W87-F302 HydrophobicContact CZ2-CB 3.89Å; W87-I304 HydrophobicContact CD2-CD1 4.07Å; W87-I304 HydrophobicContact CD2-CG1 3.68Å; W87-I304 HydrophobicContact CE3-CD1 4.04Å; W87-I304 HydrophobicContact CE3-CG1 4.15Å; W87-I304 HydrophobicContact CG-CG1 4.02Å; W87-I304 HydrophobicContact CH2-CD1 3.89Å; W87-I304 HydrophobicContact CH2-CG1 4.39Å; W87-I304 HydrophobicContact CZ2-CD1 3.93Å; W87-I304 HydrophobicContact CZ2-CG1 3.97Å; W87-I304 HydrophobicContact CZ3-CD1 3.96Å; W87-I304 HydrophobicContact CZ3-CG1 4.49Å
88	K	97.6	Very high	98.3	Very high	98 Å²	98	21.9 Å²	21.9	43%	0.426	9%	0.094	S	C	.	.	H	α-helix	trans	-56.6	-39.6	-178.8	-179.3	176.9	175.6	-177.4	0	112	F86 E92 K110 V112	F86-K88 HydrophobicContact CE2-CB 3.88Å; F86-K88 HydrophobicContact CZ-CB 4.03Å; F86-K88 HydrophobicContact CZ-CG 4.47Å; F86-K88 PolarHBondContact O-N 2.81Å; K88-E92 HydrophobicContact CG-CG 4.12Å; K88-E92 WeakPolarHBondContact O-CB 3.31Å; K88-E92 VanDerWaalsContact O-CG 3.24Å; K88-E92 WeakPolarHBondContact O-CG 3.41Å; K88-E92 PolarHBondContact O-N 2.8Å; K88-K110 WeakPolarHBondContact CE-O 3.5Å; K88-K110 PolarHBondContact NZ-O 2.84Å; K88-V112 HydrophobicContact CG-CG2 4.41Å
89	G	97.9	Very high	98.3	Very high	0 Å²	0	28 Å²	28	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-63.2	-44.9	177.2	0	0	0	0	0	112.5	F86 W87 E93	F86-G89 PolarHBondContact O-N 3.06Å; F86-G89 VanDerWaalsContact O-N 3.13Å; W87-G89 PolarHBondContact O-N 2.84Å; G89-E93 WeakPolarHBondContact O-CB 3.46Å; G89-E93 PolarHBondContact O-N 3.37Å
90	I	98.4	Very high	98.3	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	12%	0.124	C	C	.	.	H	α-helix	trans	-60.1	-49.5	178.1	-65.5	157.3	0	0	0	110.9	L79 V85 F86 W87 L94 F231 A234	L79-I90 HydrophobicContact CD1-CD1 4.13Å; V85-I90 HydrophobicContact CG1-CD1 3.53Å; F86-I90 PolarHBondContact O-N 3.47Å; W87-I90 WeakPolarHBondContact O-CB 3.38Å; W87-I90 PolarHBondContact O-N 2.58Å; W87-I90 VanDerWaalsContact O-N 3.08Å; I90-L94 WeakPolarHBondContact O-CB 3.37Å; I90-L94 PolarHBondContact O-N 3.41Å; I90-F231 HydrophobicContact CD1-CD1 4.14Å; I90-F231 HydrophobicContact CD1-CG 4.44Å; I90-F231 HydrophobicContact CG1-CB 4.28Å; I90-F231 HydrophobicContact CG1-CD1 3.32Å; I90-F231 HydrophobicContact CG1-CE1 3.87Å; I90-F231 HydrophobicContact CG1-CG 3.97Å; I90-A234 HydrophobicContact CD1-CB 3.68Å; I90-A234 HydrophobicContact CG2-CB 4.14Å
91	L	98.6	Very high	98.3	Very high	6 Å²	6	29 Å²	29	3%	0.031	13%	0.128	C	C	.	.	H	α-helix	trans	-64.6	-50.8	-175.9	174.4	56	0	0	0	111.7	W87 E93 L94 L95 L238 A299 F302	W87-L91 HydrophobicContact CZ2-CB 4.23Å; W87-L91 HydrophobicContact CZ2-CD2 3.96Å; W87-L91 HydrophobicContact CZ2-CG 4.48Å; W87-L91 PolarHBondContact O-N 2.86Å; L91-E93 PolarHBondContact O-N 2.74Å; L91-L94 PolarHBondContact O-N 2.86Å; L91-L95 HydrophobicContact CD1-CD1 4.09Å; L91-L95 HydrophobicContact CD1-CG 4.21Å; L91-L95 HydrophobicContact CG-CD1 4.32Å; L91-L95 WeakPolarHBondContact O-CG 3.41Å; L91-L95 PolarHBondContact O-N 2.87Å; L91-L238 HydrophobicContact CB-CD2 4.47Å; L91-L238 HydrophobicContact CD1-CD2 3.77Å; L91-A299 HydrophobicContact CD2-CB 3.91Å; L91-A299 WeakPolarHBondContact CD2-O 3.45Å; L91-A299 HydrophobicContact CG-CB 4.34Å; L91-F302 HydrophobicContact CD1-CD2 3.46Å; L91-F302 VanDerWaalsContact CD1-CD2 3.46Å; L91-F302 HydrophobicContact CD1-CE2 3.6Å; L91-F302 HydrophobicContact CD1-CG 3.99Å; L91-F302 HydrophobicContact CD1-CZ 4.21Å; L91-F302 HydrophobicContact CD2-CB 4.18Å; L91-F302 HydrophobicContact CD2-CD2 4Å; L91-F302 HydrophobicContact CD2-CG 4.35Å; L91-F302 HydrophobicContact CG-CD2 4.37Å
92	E	98.6	Very high	98.3	Very high	18 Å²	18	29.2 Å²	29.2	8%	0.084	13%	0.13	C	C	.	.	H	α-helix	trans	-68	-36	-177.5	-64.9	-72.2	-169.6	0	0	112.4	K88 L95 W96 L107 K110 V112 A299	K88-E92 HydrophobicContact CG-CG 4.12Å; K88-E92 WeakPolarHBondContact O-CB 3.31Å; K88-E92 VanDerWaalsContact O-CG 3.24Å; K88-E92 WeakPolarHBondContact O-CG 3.41Å; K88-E92 PolarHBondContact O-N 2.8Å; E92-L95 PolarHBondContact O-N 3.03Å; E92-W96 VanDerWaalsContact O-CB 3.25Å; E92-W96 WeakPolarHBondContact O-CB 3.41Å; E92-W96 PolarHBondContact O-N 2.82Å; E92-L107 HydrophobicContact CB-CD2 4.16Å; E92-K110 HydrophobicContact CG-CD 4.3Å; E92-K110 VanDerWaalsContact OE2-CD 3.24Å; E92-K110 WeakPolarHBondContact OE2-CD 3.31Å; E92-K110 IonicContact OE2-NZ 2.64Å; E92-K110 PolarHBondContact OE2-NZ 2.83Å; E92-V112 HydrophobicContact CB-CG2 4.01Å; E92-V112 HydrophobicContact CG-CG2 4.2Å; E92-A299 WeakPolarHBondContact OE1-CB 3.39Å
93	E	98.7	Very high	98.3	Very high	17 Å²	17	30.2 Å²	30.2	8%	0.079	14%	0.135	C	C	.	.	H	α-helix	trans	-63.4	-43.6	173.6	-173.8	-175.4	-135.1	0	0	111.5	G89 L91 W96 F97 I114 W115	G89-E93 WeakPolarHBondContact O-CB 3.46Å; G89-E93 PolarHBondContact O-N 3.37Å; L91-E93 PolarHBondContact O-N 2.74Å; E93-W96 WeakPolarHBondContact O-CB 3.36Å; E93-W96 PolarHBondContact O-N 3.46Å; E93-F97 HydrophobicContact CG-CD2 4.15Å; E93-F97 HydrophobicContact CG-CE1 4.19Å; E93-F97 HydrophobicContact CG-CE2 3.56Å; E93-F97 HydrophobicContact CG-CZ 3.58Å; E93-F97 WeakPolarHBondContact O-CG 3.22Å; E93-F97 PolarHBondContact O-N 3.34Å; E93-I114 HydrophobicContact CB-CD1 3.74Å; E93-I114 HydrophobicContact CG-CD1 3.75Å; E93-I114 WeakPolarHBondContact OE1-CD1 3.38Å; E93-W115 PolarHBondContact OE1-NE1 2.97Å
94	L	98.8	Very high	98.2	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-65.2	-42.9	178.8	-177	63.8	0	0	0	111.7	I90 L91 W96 F97 I98 W145 L238 L239 M242	I90-L94 WeakPolarHBondContact O-CB 3.37Å; I90-L94 PolarHBondContact O-N 3.41Å; L91-L94 PolarHBondContact O-N 2.86Å; L94-W96 VanDerWaalsContact C-N 3.25Å; L94-W96 PolarHBondContact O-N 3.16Å; L94-F97 HydrophobicContact CD1-CD2 4.48Å; L94-F97 PolarHBondContact O-N 3.41Å; L94-I98 HydrophobicContact CD1-CD1 4.42Å; L94-I98 HydrophobicContact CG-CD1 4Å; L94-I98 VanDerWaalsContact O-CG1 3.31Å; L94-I98 WeakPolarHBondContact O-CG1 3.32Å; L94-I98 PolarHBondContact O-N 3.45Å; L94-W145 HydrophobicContact CD1-CH2 4.02Å; L94-W145 HydrophobicContact CD1-CZ3 4.04Å; L94-L238 HydrophobicContact CD2-CB 3.87Å; L94-L238 HydrophobicContact CD2-CD2 3.63Å; L94-L238 HydrophobicContact CD2-CG 3.58Å; L94-L239 HydrophobicContact CD1-CB 4.18Å; L94-L239 HydrophobicContact CD1-CD1 4.34Å; L94-L239 HydrophobicContact CD2-CB 4.09Å; L94-M242 HydrophobicContact CD2-SD 3.7Å; L94-M242 HydrophobicContact CG-SD 4.45Å
95	L	98.8	Very high	98.2	Very high	23 Å²	23	27.5 Å²	27.5	12%	0.12	13%	0.128	C	C	.	.	H	α-helix	trans	-60.9	-37.8	174.4	-67.3	176.5	0	0	0	111.4	L91 E92 I98 K99 M242 F297 A299	L91-L95 HydrophobicContact CD1-CD1 4.09Å; L91-L95 HydrophobicContact CD1-CG 4.21Å; L91-L95 HydrophobicContact CG-CD1 4.32Å; L91-L95 WeakPolarHBondContact O-CG 3.41Å; L91-L95 PolarHBondContact O-N 2.87Å; E92-L95 PolarHBondContact O-N 3.03Å; L95-I98 PolarHBondContact O-N 3.48Å; L95-K99 WeakPolarHBondContact O-CB 3.35Å; L95-K99 PolarHBondContact O-N 3.26Å; L95-M242 HydrophobicContact CD2-CE 3.94Å; L95-F297 HydrophobicContact CD2-CB 3.86Å; L95-A299 HydrophobicContact CD1-CB 4.38Å
96	W	98.7	Very high	98.2	Very high	7 Å²	7	29.4 Å²	29.4	3%	0.027	14%	0.136	C	C	.	.	H	α-helix	trans	-66.1	-42	175.2	176.7	85.2	0	0	0	112.7	E92 E93 L94 K99 G100 S101 T102 N103 L107 L137 V140	E92-W96 VanDerWaalsContact O-CB 3.25Å; E92-W96 WeakPolarHBondContact O-CB 3.41Å; E92-W96 PolarHBondContact O-N 2.82Å; E93-W96 WeakPolarHBondContact O-CB 3.36Å; E93-W96 PolarHBondContact O-N 3.46Å; L94-W96 VanDerWaalsContact C-N 3.25Å; L94-W96 PolarHBondContact O-N 3.16Å; W96-K99 PolarHBondContact O-N 3.04Å; W96-G100 PolarHBondContact O-N 3.36Å; W96-S101 VanDerWaalsContact CD1-CB 3.46Å; W96-S101 VanDerWaalsContact CE2-O 3.3Å; W96-S101 WeakPolarHBondContact CH2-O 3.41Å; W96-S101 WeakPolarHBondContact CZ2-O 3.32Å; W96-S101 VanDerWaalsContact NE1-CB 3.26Å; W96-S101 PolarHBondContact NE1-OG 3.04Å; W96-S101 PolarHBondContact O-N 3.19Å; W96-T102 VanDerWaalsContact CZ2-C 3.47Å; W96-T102 VanDerWaalsContact CZ2-CA 3.44Å; W96-N103 PolarHBondContact NE1-O 3.46Å; W96-L107 HydrophobicContact CB-CD2 3.81Å; W96-L107 HydrophobicContact CB-CG 4.3Å; W96-L107 HydrophobicContact CD2-CD1 3.94Å; W96-L107 HydrophobicContact CD2-CG 4.27Å; W96-L107 HydrophobicContact CE3-CD1 4.03Å; W96-L107 HydrophobicContact CG-CD1 4.16Å; W96-L107 HydrophobicContact CG-CD2 4.07Å; W96-L107 HydrophobicContact CG-CG 4Å; W96-L137 HydrophobicContact CH2-CD1 3.54Å; W96-L137 HydrophobicContact CZ2-CD1 3.93Å; W96-V140 HydrophobicContact CH2-CG2 3.92Å
97	F	98.8	Very high	98.3	Very high	1 Å²	1	25 Å²	25	0%	0.004	12%	0.117	C	C	.	.	H	α-helix	trans	-61.7	-46.1	171.5	-67.4	-34.7	0	0	0	112	E93 L94 K99 G100 W115 Y141 G142 W145 H202	E93-F97 HydrophobicContact CG-CD2 4.15Å; E93-F97 HydrophobicContact CG-CE1 4.19Å; E93-F97 HydrophobicContact CG-CE2 3.56Å; E93-F97 HydrophobicContact CG-CZ 3.58Å; E93-F97 WeakPolarHBondContact O-CG 3.22Å; E93-F97 PolarHBondContact O-N 3.34Å; L94-F97 HydrophobicContact CD1-CD2 4.48Å; L94-F97 PolarHBondContact O-N 3.41Å; F97-K99 VanDerWaalsContact C-N 3.32Å; F97-K99 PolarHBondContact O-N 3.25Å; F97-G100 PolarHBondContact O-N 2.93Å; F97-W115 HydrophobicContact CZ-CZ2 4.45Å; F97-Y141 HydrophobicContact CD1-CD2 4.33Å; F97-Y141 HydrophobicContact CD1-CG 4.32Å; F97-Y141 AromaticContact CE1-CD2 3.39Å; F97-Y141 HydrophobicContact CE1-CD2 3.39Å; F97-Y141 HydrophobicContact CE1-CE2 4.28Å; F97-Y141 AromaticContact CE1-CG 3.74Å; F97-Y141 HydrophobicContact CE1-CG 3.74Å; F97-Y141 AromaticContact CZ-CD2 3.65Å; F97-Y141 HydrophobicContact CZ-CD2 3.65Å; F97-Y141 HydrophobicContact CZ-CE2 4.17Å; F97-Y141 AromaticContact CZ-CG 3.99Å; F97-Y141 HydrophobicContact CZ-CG 3.99Å; F97-G142 WeakPolarHBondContact O-CA 3.37Å; F97-W145 HydrophobicContact CB-CE3 4.08Å; F97-W145 HydrophobicContact CB-CH2 4.27Å; F97-W145 HydrophobicContact CB-CZ3 3.87Å; F97-W145 HydrophobicContact CD2-CH2 4.35Å; F97-H202 AromaticContact CE2-CE1 3.84Å; F97-H202 AromaticContact CZ-CE1 3.96Å
98	I	98.8	Very high	98.2	Very high	4 Å²	4	24.7 Å²	24.7	2%	0.021	12%	0.123	C	C	.	.	H	α-helix	trans	-57.9	-47.7	178.6	-73.5	165.9	0	0	0	109.6	L94 L95 G100 W145 R146 L167 L239 M242 I294	L94-I98 HydrophobicContact CD1-CD1 4.42Å; L94-I98 HydrophobicContact CG-CD1 4Å; L94-I98 VanDerWaalsContact O-CG1 3.31Å; L94-I98 WeakPolarHBondContact O-CG1 3.32Å; L94-I98 PolarHBondContact O-N 3.45Å; L95-I98 PolarHBondContact O-N 3.48Å; I98-G100 PolarHBondContact O-N 2.83Å; I98-W145 HydrophobicContact CG1-CZ3 4.43Å; I98-R146 VanDerWaalsContact O-CD 3.3Å; I98-R146 WeakPolarHBondContact O-CD 3.3Å; I98-R146 WeakPolarHBondContact O-CG 3.45Å; I98-R146 PolarHBondContact O-NH1 3.29Å; I98-L167 HydrophobicContact CB-CD2 4.33Å; I98-L167 HydrophobicContact CG1-CD2 4.12Å; I98-L167 HydrophobicContact CG2-CD2 4.03Å; I98-L239 HydrophobicContact CD1-CD1 4.37Å; I98-M242 HydrophobicContact CD1-CE 3.31Å; I98-M242 HydrophobicContact CD1-SD 3.9Å; I98-I294 HydrophobicContact CD1-CD1 4.24Å; I98-I294 HydrophobicContact CD1-CG1 4.16Å; I98-I294 HydrophobicContact CG1-CG1 4.43Å; I98-I294 HydrophobicContact CG2-CG1 3.88Å; I98-I294 HydrophobicContact CG2-CG2 4.3Å
99	K	98.2	Very high	98.2	Very high	129 Å²	129	27.7 Å²	27.7	56%	0.561	14%	0.139	S	C	*	.	H	α-helix	trans	-59.6	-16.3	176.9	-175.1	-178.1	165.2	-157.4	0	113.8	L95 W96 F97 S101 E106	L95-K99 WeakPolarHBondContact O-CB 3.35Å; L95-K99 PolarHBondContact O-N 3.26Å; W96-K99 PolarHBondContact O-N 3.04Å; F97-K99 VanDerWaalsContact C-N 3.32Å; F97-K99 PolarHBondContact O-N 3.25Å; K99-S101 VanDerWaalsContact C-N 3.31Å; K99-E106 VanDerWaalsContact NZ-CD 3.32Å; K99-E106 IonicContact NZ-OE1 2.78Å; K99-E106 PolarHBondContact NZ-OE1 3.03Å; K99-E106 VanDerWaalsContact NZ-OE1 3.16Å; K99-E106 IonicContact NZ-OE2 2.73Å; K99-E106 PolarHBondContact NZ-OE2 3.29Å
100	G	98.4	Very high	98.1	Very high	9 Å²	9	32.5 Å²	32.5	9%	0.093	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.6	11.1	-176.9	0	0	0	0	0	113.9	W96 F97 I98 G142	W96-G100 PolarHBondContact O-N 3.36Å; F97-G100 PolarHBondContact O-N 2.93Å; I98-G100 PolarHBondContact O-N 2.83Å; G100-G142 WeakPolarHBondContact CA-O 3.21Å
101	S	98.3	Very high	98	Very high	12 Å²	12	34.5 Å²	34.5	8%	0.084	18%	0.18	C	C	.	.			trans	-72.5	150	-176.3	-177.1	0	0	0	0	111.7	W96 K99 N103 E106	W96-S101 VanDerWaalsContact CD1-CB 3.46Å; W96-S101 VanDerWaalsContact CE2-O 3.3Å; W96-S101 WeakPolarHBondContact CH2-O 3.41Å; W96-S101 WeakPolarHBondContact CZ2-O 3.32Å; W96-S101 VanDerWaalsContact NE1-CB 3.26Å; W96-S101 PolarHBondContact NE1-OG 3.04Å; W96-S101 PolarHBondContact O-N 3.19Å; K99-S101 VanDerWaalsContact C-N 3.31Å; S101-N103 PolarHBondContact OG-N 2.97Å; S101-E106 PolarHBondContact OG-OE1 3.24Å; S101-E106 PolarHBondContact OG-OE2 2.9Å
102	T	98.4	Very high	98	Very high	5 Å²	5	34.2 Å²	34.2	3%	0.031	18%	0.179	C	C	.	.			trans	-124.5	3.8	177.4	58.9	0	0	0	0	112.2	W96 L137 G138 V140 F143 Y152 M155	W96-T102 VanDerWaalsContact CZ2-C 3.47Å; W96-T102 VanDerWaalsContact CZ2-CA 3.44Å; T102-L137 WeakPolarHBondContact O-CB 3.21Å; T102-L137 PolarHBondContact O-N 2.72Å; T102-L137 VanDerWaalsContact O-N 3.08Å; T102-G138 VanDerWaalsContact CB-O 3.27Å; T102-G138 WeakPolarHBondContact CB-O 3.39Å; T102-G138 WeakPolarHBondContact CG2-O 3.33Å; T102-V140 HydrophobicContact CG2-CG2 4.2Å; T102-F143 HydrophobicContact CG2-CB 3.68Å; T102-F143 HydrophobicContact CG2-CG 4.49Å; T102-Y152 HydrophobicContact CG2-CE2 3.98Å; T102-Y152 PolarHBondContact OG1-OH 2.94Å; T102-M155 WeakPolarHBondContact OG1-CB 3.36Å
103	N	98.3	Very high	97.8	Very high	21 Å²	21	40.2 Å²	40.2	11%	0.112	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-90.4	108.3	178.7	-177.1	-3.2	0	0	0	111.2	W96 S101 K105 E106 M155	W96-N103 PolarHBondContact NE1-O 3.46Å; S101-N103 PolarHBondContact OG-N 2.97Å; N103-K105 PolarHBondContact O-N 3.32Å; N103-K105 WeakPolarHBondContact OD1-CB 3.42Å; N103-K105 PolarHBondContact OD1-N 3.46Å; N103-E106 HydrophobicContact CB-CG 4.23Å; N103-E106 PolarHBondContact O-N 2.96Å; N103-M155 HydrophobicContact CB-CB 4.13Å; N103-M155 HydrophobicContact CB-CG 4.16Å; N103-M155 HydrophobicContact CB-SD 3.53Å; N103-M155 VanDerWaalsContact CB-SD 3.53Å; N103-M155 PolarHBondContact OD1-SD 3.12Å
104	A	97.5	Very high	97.6	Very high	5 Å²	5	41.1 Å²	41.1	4%	0.041	21%	0.21	C	C	.	.	H	α-helix	trans	-63.3	-23.9	178	0	0	0	0	0	113.4	E106 L107 A108 W115 G135 L137	A104-E106 VanDerWaalsContact C-N 3.27Å; A104-E106 PolarHBondContact O-N 3.06Å; A104-L107 PolarHBondContact O-N 2.96Å; A104-L107 VanDerWaalsContact O-N 3.17Å; A104-A108 PolarHBondContact O-N 3.43Å; A104-A108 VanDerWaalsContact O-N 3.15Å; A104-W115 HydrophobicContact CB-CB 3.95Å; A104-G135 WeakPolarHBondContact CB-O 3.38Å; A104-G135 PolarHBondContact N-O 2.91Å; A104-L137 HydrophobicContact CB-CD1 3.95Å; A104-L137 HydrophobicContact CB-CD2 4.33Å; A104-L137 HydrophobicContact CB-CG 4.09Å
105	K	97.3	Very high	97.4	Very high	75 Å²	75	41.8 Å²	41.8	33%	0.326	21%	0.212	S	C	.	.	H	α-helix	trans	-65.5	-30.9	-179.2	-62.2	173.2	177.6	163	0	112	N103 L107 A108 E109 E133 E134	N103-K105 PolarHBondContact O-N 3.32Å; N103-K105 WeakPolarHBondContact OD1-CB 3.42Å; N103-K105 PolarHBondContact OD1-N 3.46Å; K105-L107 PolarHBondContact O-N 3.12Å; K105-A108 PolarHBondContact O-N 3.38Å; K105-A108 VanDerWaalsContact O-N 3.14Å; K105-E109 WeakPolarHBondContact O-CB 3.28Å; K105-E109 VanDerWaalsContact O-CG 3.29Å; K105-E109 WeakPolarHBondContact O-CG 3.05Å; K105-E109 PolarHBondContact O-N 3.22Å; K105-E133 IonicContact NZ-OE1 3.36Å; K105-E133 PolarHBondContact NZ-OE1 2.97Å; K105-E134 WeakPolarHBondContact CE-O 3.4Å; K105-E134 PolarHBondContact NZ-O 2.91Å
106	E	97.8	Very high	97.2	Very high	49 Å²	49	43.5 Å²	43.5	23%	0.229	22%	0.222	C	C	.	.	H	α-helix	trans	-58.3	-37.2	174.9	-66.8	-172.5	-158.3	0	0	111.9	K99 S101 N103 A104	K99-E106 VanDerWaalsContact NZ-CD 3.32Å; K99-E106 IonicContact NZ-OE1 2.78Å; K99-E106 PolarHBondContact NZ-OE1 3.03Å; K99-E106 VanDerWaalsContact NZ-OE1 3.16Å; K99-E106 IonicContact NZ-OE2 2.73Å; K99-E106 PolarHBondContact NZ-OE2 3.29Å; S101-E106 PolarHBondContact OG-OE1 3.24Å; S101-E106 PolarHBondContact OG-OE2 2.9Å; N103-E106 HydrophobicContact CB-CG 4.23Å; N103-E106 PolarHBondContact O-N 2.96Å; A104-E106 VanDerWaalsContact C-N 3.27Å; A104-E106 PolarHBondContact O-N 3.06Å
107	L	97.8	Very high	97	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.01	23%	0.234	C	C	.	.	H	α-helix	trans	-75.2	-43.2	175.6	-68.1	174.4	0	0	0	111.1	E92 W96 A104 K105 E109 K110 G111 V112 W115	E92-L107 HydrophobicContact CB-CD2 4.16Å; W96-L107 HydrophobicContact CB-CD2 3.81Å; W96-L107 HydrophobicContact CB-CG 4.3Å; W96-L107 HydrophobicContact CD2-CD1 3.94Å; W96-L107 HydrophobicContact CD2-CG 4.27Å; W96-L107 HydrophobicContact CE3-CD1 4.03Å; W96-L107 HydrophobicContact CG-CD1 4.16Å; W96-L107 HydrophobicContact CG-CD2 4.07Å; W96-L107 HydrophobicContact CG-CG 4Å; A104-L107 PolarHBondContact O-N 2.96Å; A104-L107 VanDerWaalsContact O-N 3.17Å; K105-L107 PolarHBondContact O-N 3.12Å; L107-E109 VanDerWaalsContact C-N 3.32Å; L107-E109 PolarHBondContact O-N 3.17Å; L107-K110 CarbonylContact O-C 3.14Å; L107-K110 WeakPolarHBondContact O-CA 3.41Å; L107-K110 WeakPolarHBondContact O-CB 3.25Å; L107-K110 PolarHBondContact O-N 3.39Å; L107-G111 PolarHBondContact O-N 2.79Å; L107-V112 CarbonylContact C-O 3.57Å; L107-V112 HydrophobicContact CB-CB 4.15Å; L107-V112 HydrophobicContact CB-CG1 4.33Å; L107-V112 WeakPolarHBondContact CB-O 3.33Å; L107-V112 HydrophobicContact CD2-CB 4.49Å; L107-V112 HydrophobicContact CD2-CG1 4.37Å; L107-V112 PolarHBondContact O-N 2.81Å; L107-W115 HydrophobicContact CD1-CG 4.41Å
108	A	96	Very high	96.8	Very high	36 Å²	36	45.5 Å²	45.5	30%	0.298	24%	0.238	S	C	.	.	H	α-helix	trans	-60.7	-40	-180	0	0	0	0	0	112.3	A104 K105 K110 G111 V112	A104-A108 PolarHBondContact O-N 3.43Å; A104-A108 VanDerWaalsContact O-N 3.15Å; K105-A108 PolarHBondContact O-N 3.38Å; K105-A108 VanDerWaalsContact O-N 3.14Å; A108-K110 PolarHBondContact O-N 3.02Å; A108-G111 WeakPolarHBondContact O-CA 3.32Å; A108-G111 PolarHBondContact O-N 2.82Å; A108-V112 PolarHBondContact N-O 2.67Å
109	E	97.3	Very high	96.6	Very high	162 Å²	162	45.4 Å²	45.4	76%	0.757	24%	0.238	S	C	*	.	H	α-helix	trans	-59.3	-30.8	174.4	-75	170.1	-172.1	0	0	112.5	K105 L107 G111	K105-E109 WeakPolarHBondContact O-CB 3.28Å; K105-E109 VanDerWaalsContact O-CG 3.29Å; K105-E109 WeakPolarHBondContact O-CG 3.05Å; K105-E109 PolarHBondContact O-N 3.22Å; L107-E109 VanDerWaalsContact C-N 3.32Å; L107-E109 PolarHBondContact O-N 3.17Å; E109-G111 VanDerWaalsContact C-N 3.28Å
110	K	97.1	Very high	96.6	Very high	100 Å²	100	40.7 Å²	40.7	44%	0.435	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	3	174.1	-63.7	-179.4	174	-176	0	113.3	K88 E92 L107 A108	K88-K110 WeakPolarHBondContact CE-O 3.5Å; K88-K110 PolarHBondContact NZ-O 2.84Å; E92-K110 HydrophobicContact CG-CD 4.3Å; E92-K110 VanDerWaalsContact OE2-CD 3.24Å; E92-K110 WeakPolarHBondContact OE2-CD 3.31Å; E92-K110 IonicContact OE2-NZ 2.64Å; E92-K110 PolarHBondContact OE2-NZ 2.83Å; L107-K110 CarbonylContact O-C 3.14Å; L107-K110 WeakPolarHBondContact O-CA 3.41Å; L107-K110 WeakPolarHBondContact O-CB 3.25Å; L107-K110 PolarHBondContact O-N 3.39Å; A108-K110 PolarHBondContact O-N 3.02Å
111	G	96.9	Very high	96.5	Very high	43 Å²	43	43.7 Å²	43.7	44%	0.443	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.5	18.5	-177.3	0	0	0	0	0	114	L107 A108 E109	L107-G111 PolarHBondContact O-N 2.79Å; A108-G111 WeakPolarHBondContact O-CA 3.32Å; A108-G111 PolarHBondContact O-N 2.82Å; E109-G111 VanDerWaalsContact C-N 3.28Å
112	V	97.1	Very high	96.5	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.262	C	S	.	.			trans	-102.5	111.7	177.3	177.6	0	0	0	0	109	F86 K88 E92 L107 A108 I114	F86-V112 HydrophobicContact CE1-CG2 4.41Å; K88-V112 HydrophobicContact CG-CG2 4.41Å; E92-V112 HydrophobicContact CB-CG2 4.01Å; E92-V112 HydrophobicContact CG-CG2 4.2Å; L107-V112 CarbonylContact C-O 3.57Å; L107-V112 HydrophobicContact CB-CB 4.15Å; L107-V112 HydrophobicContact CB-CG1 4.33Å; L107-V112 WeakPolarHBondContact CB-O 3.33Å; L107-V112 HydrophobicContact CD2-CB 4.49Å; L107-V112 HydrophobicContact CD2-CG1 4.37Å; L107-V112 PolarHBondContact O-N 2.81Å; A108-V112 PolarHBondContact N-O 2.67Å; V112-I114 HydrophobicContact CG1-CD1 3.96Å; V112-I114 HydrophobicContact CG1-CG1 4.01Å; V112-I114 HydrophobicContact CG1-CG2 4.4Å
113	K	95.3	Very high	96.3	Very high	144 Å²	144	51.3 Å²	51.3	63%	0.626	26%	0.264	S	S	*	.			trans	-109.5	15.1	-166.5	-62	-168.3	174.9	-166.8	0	115.1	W115 D116	K113-W115 PolarHBondContact O-N 3.1Å; K113-D116 WeakPolarHBondContact CA-OD1 3.31Å; K113-D116 HydrophobicContact CB-CB 4.47Å; K113-D116 VanDerWaalsContact CB-OD2 3.26Å; K113-D116 WeakPolarHBondContact CB-OD2 3.26Å; K113-D116 WeakPolarHBondContact CD-OD2 3.48Å; K113-D116 VanDerWaalsContact CG-OD2 3.24Å; K113-D116 WeakPolarHBondContact CG-OD2 3.47Å; K113-D116 PolarHBondContact O-N 3.13Å
114	I	93.6	Very high	96.3	Very high	37 Å²	37	50.3 Å²	50.3	19%	0.19	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-22.3	-172.3	63.3	-172.5	0	0	0	112.8	E93 V112	E93-I114 HydrophobicContact CB-CD1 3.74Å; E93-I114 HydrophobicContact CG-CD1 3.75Å; E93-I114 WeakPolarHBondContact OE1-CD1 3.38Å; V112-I114 HydrophobicContact CG1-CD1 3.96Å; V112-I114 HydrophobicContact CG1-CG1 4.01Å; V112-I114 HydrophobicContact CG1-CG2 4.4Å
115	W	95.8	Very high	96.3	Very high	13 Å²	13	53.3 Å²	53.3	5%	0.049	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-5.6	178.2	-73.2	99.3	0	0	0	114.2	E93 F97 A104 L107 K113 A117 N118 G119 L137 Y141 L198	E93-W115 PolarHBondContact OE1-NE1 2.97Å; F97-W115 HydrophobicContact CZ-CZ2 4.45Å; A104-W115 HydrophobicContact CB-CB 3.95Å; L107-W115 HydrophobicContact CD1-CG 4.41Å; K113-W115 PolarHBondContact O-N 3.1Å; W115-A117 VanDerWaalsContact C-N 3.31Å; W115-A117 PolarHBondContact O-N 3.35Å; W115-N118 HydrophobicContact CE3-CB 4.02Å; W115-N118 HydrophobicContact CZ3-CB 4.34Å; W115-N118 PolarHBondContact O-N 2.94Å; W115-N118 VanDerWaalsContact O-N 3.13Å; W115-G119 PolarHBondContact O-N 2.85Å; W115-L137 HydrophobicContact CB-CD1 4.09Å; W115-L137 HydrophobicContact CD2-CD1 3.71Å; W115-L137 HydrophobicContact CE3-CD1 3.58Å; W115-L137 HydrophobicContact CE3-CD2 3.86Å; W115-L137 HydrophobicContact CE3-CG 4.33Å; W115-L137 HydrophobicContact CG-CD1 3.91Å; W115-L137 HydrophobicContact CZ3-CD1 4.35Å; W115-Y141 HydrophobicContact CH2-CD2 4.32Å; W115-Y141 AromaticContact CH2-CE2 3.63Å; W115-Y141 HydrophobicContact CH2-CE2 3.63Å; W115-Y141 HydrophobicContact CZ2-CD2 4.14Å; W115-Y141 AromaticContact CZ2-CE2 3.65Å; W115-Y141 HydrophobicContact CZ2-CE2 3.65Å; W115-L198 HydrophobicContact CZ3-CB 4.31Å
116	D	94.8	Very high	96.2	Very high	60 Å²	60	56.4 Å²	56.4	32%	0.321	29%	0.287	S	S	.	.	H	α-helix	trans	-55.2	-45	-174.5	-73.4	13	0	0	0	111.9	K113 G119 S120	K113-D116 WeakPolarHBondContact CA-OD1 3.31Å; K113-D116 HydrophobicContact CB-CB 4.47Å; K113-D116 VanDerWaalsContact CB-OD2 3.26Å; K113-D116 WeakPolarHBondContact CB-OD2 3.26Å; K113-D116 WeakPolarHBondContact CD-OD2 3.48Å; K113-D116 VanDerWaalsContact CG-OD2 3.24Å; K113-D116 WeakPolarHBondContact CG-OD2 3.47Å; K113-D116 PolarHBondContact O-N 3.13Å; D116-G119 PolarHBondContact O-N 2.83Å; D116-S120 WeakPolarHBondContact O-CB 3.31Å; D116-S120 PolarHBondContact O-N 3.1Å
117	A	93.6	Very high	96	Very high	35 Å²	35	58.1 Å²	58.1	29%	0.289	30%	0.296	S	S	.	.	H	α-helix	trans	-64.1	-44.4	-179.2	0	0	0	0	0	111.7	W115 S120 F123 V319	W115-A117 VanDerWaalsContact C-N 3.31Å; W115-A117 PolarHBondContact O-N 3.35Å; A117-S120 PolarHBondContact O-N 3.25Å; A117-S120 PolarHBondContact O-OG 3.37Å; A117-F123 WeakPolarHBondContact O-CB 3.41Å; A117-V319 HydrophobicContact CB-CG1 4.1Å; A117-V319 HydrophobicContact CB-CG2 4.34Å
118	N	94.3	Very high	95.9	Very high	14 Å²	14	60.7 Å²	60.7	8%	0.075	32%	0.323	C	S	.	.	H	α-helix	trans	-74.8	-26.2	-178.9	-62.8	106.3	0	0	0	113.2	W115 F123 L137	W115-N118 HydrophobicContact CE3-CB 4.02Å; W115-N118 HydrophobicContact CZ3-CB 4.34Å; W115-N118 PolarHBondContact O-N 2.94Å; W115-N118 VanDerWaalsContact O-N 3.13Å; N118-F123 HydrophobicContact CB-CE1 4.47Å; N118-F123 WeakPolarHBondContact ND2-CZ 3.25Å; N118-F123 VanDerWaalsContact O-CD1 3.23Å; N118-F123 WeakPolarHBondContact O-CD1 3.27Å; N118-L137 HydrophobicContact CB-CD2 4.39Å
119	G	95.7	Very high	96	Very high	3 Å²	3	60.4 Å²	60.4	3%	0.031	32%	0.315	C	S	.	.	H	α-helix	trans	-89.9	-7.7	176	0	0	0	0	0	114.5	W115 D116 E134 G135	W115-G119 PolarHBondContact O-N 2.85Å; D116-G119 PolarHBondContact O-N 2.83Å; G119-E134 WeakPolarHBondContact O-CG 3.44Å; G119-G135 PolarHBondContact O-N 2.96Å
120	S	97.2	Very high	95.9	Very high	30 Å²	30	56.9 Å²	56.9	21%	0.21	31%	0.305	C	S	.	.	S	Bend	trans	-63.4	148.1	-177.8	69.2	0	0	0	0	112.6	D116 A117 Q122 F123 L124	D116-S120 WeakPolarHBondContact O-CB 3.31Å; D116-S120 PolarHBondContact O-N 3.1Å; A117-S120 PolarHBondContact O-N 3.25Å; A117-S120 PolarHBondContact O-OG 3.37Å; S120-Q122 VanDerWaalsContact C-N 3.25Å; S120-Q122 PolarHBondContact O-N 2.67Å; S120-F123 PolarHBondContact O-N 3.34Å; S120-F123 VanDerWaalsContact OG-CB 3.31Å; S120-F123 WeakPolarHBondContact OG-CB 3.42Å; S120-F123 PolarHBondContact OG-N 3.47Å; S120-L124 WeakPolarHBondContact O-CG 3.37Å; S120-L124 PolarHBondContact O-N 3.38Å
121	R	97.5	Very high	95.8	Very high	71 Å²	71	59.9 Å²	59.9	27%	0.268	33%	0.325	S	S	.	.	H	α-helix	trans	-50.1	-47.1	175.6	178.9	69.1	-78.4	145.1	-4.4	112.2	F123 L124 D125 F129 R132 E134	R121-F123 VanDerWaalsContact C-N 3.34Å; R121-F123 PolarHBondContact O-N 3.47Å; R121-L124 VanDerWaalsContact NH2-CB 3.26Å; R121-L124 PolarHBondContact O-N 3.42Å; R121-D125 IonicContact CZ-OD1 3.71Å; R121-D125 VanDerWaalsContact NE-CG 3.33Å; R121-D125 IonicContact NE-OD1 3.01Å; R121-D125 PolarHBondContact NE-OD1 3.32Å; R121-D125 IonicContact NE-OD2 2.84Å; R121-D125 PolarHBondContact NE-OD2 3.23Å; R121-D125 IonicContact NH2-OD1 2.61Å; R121-D125 PolarHBondContact NH2-OD1 3.39Å; R121-D125 PolarHBondContact O-N 2.96Å; R121-F129 PolarHBondContact NH2-O 2.77Å; R121-R132 PolarHBondContact NH1-O 2.69Å; R121-R132 PolarHBondContact NH2-O 2.84Å; R121-E134 PolarHBondContact N-OE1 3.35Å
122	Q	96.9	Very high	95.9	Very high	165 Å²	165	59.4 Å²	59.4	77%	0.771	31%	0.31	S	S	*	.	H	α-helix	trans	-59.9	-42.3	-179.9	-174.8	-177.8	18.4	0	0	112.5	S120 K126	S120-Q122 VanDerWaalsContact C-N 3.25Å; S120-Q122 PolarHBondContact O-N 2.67Å; Q122-K126 WeakPolarHBondContact O-CB 3.08Å; Q122-K126 PolarHBondContact O-N 2.92Å; Q122-K126 VanDerWaalsContact O-N 3.1Å
123	F	95.4	Very high	95.9	Very high	12 Å²	12	63.4 Å²	63.4	5%	0.053	33%	0.329	C	S	.	.	H	α-helix	trans	-71.5	-43.3	-179.3	-171.8	-83.2	0	0	0	111.4	A117 N118 S120 R121 D125 K126 M127 A197 V319	A117-F123 WeakPolarHBondContact O-CB 3.41Å; N118-F123 HydrophobicContact CB-CE1 4.47Å; N118-F123 WeakPolarHBondContact ND2-CZ 3.25Å; N118-F123 VanDerWaalsContact O-CD1 3.23Å; N118-F123 WeakPolarHBondContact O-CD1 3.27Å; S120-F123 PolarHBondContact O-N 3.34Å; S120-F123 VanDerWaalsContact OG-CB 3.31Å; S120-F123 WeakPolarHBondContact OG-CB 3.42Å; S120-F123 PolarHBondContact OG-N 3.47Å; R121-F123 VanDerWaalsContact C-N 3.34Å; R121-F123 PolarHBondContact O-N 3.47Å; F123-D125 PolarHBondContact O-N 2.73Å; F123-K126 WeakPolarHBondContact O-CB 3.17Å; F123-K126 PolarHBondContact O-N 3.09Å; F123-M127 HydrophobicContact CD1-CG 3.95Å; F123-M127 HydrophobicContact CE1-CG 3.56Å; F123-M127 HydrophobicContact CE1-SD 4.29Å; F123-M127 HydrophobicContact CZ-CG 4.14Å; F123-M127 HydrophobicContact CZ-SD 4.32Å; F123-M127 WeakPolarHBondContact O-CG 3.38Å; F123-M127 PolarHBondContact O-N 3.14Å; F123-A197 WeakPolarHBondContact CE1-O 3.42Å; F123-V319 HydrophobicContact CD2-CG1 4.1Å; F123-V319 HydrophobicContact CE2-CG1 4.21Å
124	L	97.5	Very high	96.1	Very high	0 Å²	0	61 Å²	61	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-60.6	-43.9	177.1	-67.4	-179.9	0	0	0	111.6	S120 R121 K126 M127 G128 F129 R132 E133 A197	S120-L124 WeakPolarHBondContact O-CG 3.37Å; S120-L124 PolarHBondContact O-N 3.38Å; R121-L124 VanDerWaalsContact NH2-CB 3.26Å; R121-L124 PolarHBondContact O-N 3.42Å; L124-K126 PolarHBondContact O-N 3.29Å; L124-M127 CarbonylContact O-C 3.53Å; L124-M127 PolarHBondContact O-N 3.1Å; L124-M127 VanDerWaalsContact O-N 3.15Å; L124-G128 PolarHBondContact O-N 2.96Å; L124-G128 VanDerWaalsContact O-N 3.16Å; L124-F129 HydrophobicContact CB-CB 4.26Å; L124-F129 HydrophobicContact CD2-CD2 4.1Å; L124-F129 PolarHBondContact O-N 3.36Å; L124-R132 HydrophobicContact CD1-CG 4.38Å; L124-E133 WeakPolarHBondContact CD1-O 3.43Å; L124-A197 HydrophobicContact CD2-CB 4.19Å
125	D	96.8	Very high	96.2	Very high	69 Å²	69	59.4 Å²	59.4	37%	0.369	31%	0.313	S	S	.	.	H	α-helix	trans	-63.2	-42	176	-66.2	-14.3	0	0	0	111.8	R121 F123 M127 G128	R121-D125 IonicContact CZ-OD1 3.71Å; R121-D125 VanDerWaalsContact NE-CG 3.33Å; R121-D125 IonicContact NE-OD1 3.01Å; R121-D125 PolarHBondContact NE-OD1 3.32Å; R121-D125 IonicContact NE-OD2 2.84Å; R121-D125 PolarHBondContact NE-OD2 3.23Å; R121-D125 IonicContact NH2-OD1 2.61Å; R121-D125 PolarHBondContact NH2-OD1 3.39Å; R121-D125 PolarHBondContact O-N 2.96Å; F123-D125 PolarHBondContact O-N 2.73Å; D125-M127 PolarHBondContact O-N 3.07Å; D125-G128 PolarHBondContact O-N 3.46Å
126	K	95.3	Very high	96.4	Very high	139 Å²	139	59 Å²	59	60%	0.604	31%	0.312	S	S	*	.	H	α-helix	trans	-59.7	-33.3	175.4	-175.7	-174.4	174.4	-176.5	0	111.9	Q122 F123 L124 G128	Q122-K126 WeakPolarHBondContact O-CB 3.08Å; Q122-K126 PolarHBondContact O-N 2.92Å; Q122-K126 VanDerWaalsContact O-N 3.1Å; F123-K126 WeakPolarHBondContact O-CB 3.17Å; F123-K126 PolarHBondContact O-N 3.09Å; L124-K126 PolarHBondContact O-N 3.29Å; K126-G128 VanDerWaalsContact C-N 3.3Å
127	M	94.1	Very high	96.5	Very high	86 Å²	86	56.2 Å²	56.2	42%	0.424	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-0.1	176.2	-63.6	-61.4	92.1	0	0	113.5	F123 L124 D125 F129	F123-M127 HydrophobicContact CD1-CG 3.95Å; F123-M127 HydrophobicContact CE1-CG 3.56Å; F123-M127 HydrophobicContact CE1-SD 4.29Å; F123-M127 HydrophobicContact CZ-CG 4.14Å; F123-M127 HydrophobicContact CZ-SD 4.32Å; F123-M127 WeakPolarHBondContact O-CG 3.38Å; F123-M127 PolarHBondContact O-N 3.14Å; L124-M127 CarbonylContact O-C 3.53Å; L124-M127 PolarHBondContact O-N 3.1Å; L124-M127 VanDerWaalsContact O-N 3.15Å; D125-M127 PolarHBondContact O-N 3.07Å; M127-F129 HydrophobicContact CB-CD2 3.7Å; M127-F129 HydrophobicContact CB-CE2 3.71Å
128	G	96.5	Very high	96.8	Very high	55 Å²	55	54.5 Å²	54.5	57%	0.567	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.6	10.9	178.9	0	0	0	0	0	114.8	L124 D125 K126 T130	L124-G128 PolarHBondContact O-N 2.96Å; L124-G128 VanDerWaalsContact O-N 3.16Å; D125-G128 PolarHBondContact O-N 3.46Å; K126-G128 VanDerWaalsContact C-N 3.3Å; G128-T130 VanDerWaalsContact C-N 3.33Å; G128-T130 PolarHBondContact O-N 3.03Å
129	F	96.9	Very high	97	Very high	30 Å²	30	53.9 Å²	53.9	13%	0.132	28%	0.279	C	S	.	.			trans	-91.8	56.3	178.6	-55.8	-53.5	0	0	0	112	R121 L124 M127 D131 R132 P194	R121-F129 PolarHBondContact NH2-O 2.77Å; L124-F129 HydrophobicContact CB-CB 4.26Å; L124-F129 HydrophobicContact CD2-CD2 4.1Å; L124-F129 PolarHBondContact O-N 3.36Å; M127-F129 HydrophobicContact CB-CD2 3.7Å; M127-F129 HydrophobicContact CB-CE2 3.71Å; F129-D131 VanDerWaalsContact C-N 3.28Å; F129-D131 PolarHBondContact O-N 2.93Å; F129-R132 HydrophobicContact CB-CB 3.82Å; F129-R132 PolarHBondContact O-N 3.39Å; F129-P194 WeakPolarHBondContact CE1-O 3.32Å; F129-P194 VanDerWaalsContact CZ-O 3.29Å; F129-P194 WeakPolarHBondContact CZ-O 3.35Å
130	T	96.4	Very high	97.1	Very high	89 Å²	89	53.7 Å²	53.7	55%	0.546	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-30.1	-173.7	53	0	0	0	0	113.9	G128	G128-T130 VanDerWaalsContact C-N 3.33Å; G128-T130 PolarHBondContact O-N 3.03Å
131	D	95.4	Very high	97.2	Very high	162 Å²	162	52.5 Å²	52.5	87%	0.866	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-6.8	-177.2	-55.5	-33.5	0	0	0	113.3	F129	F129-D131 VanDerWaalsContact C-N 3.28Å; F129-D131 PolarHBondContact O-N 2.93Å
132	R	97.1	Very high	97.2	Very high	33 Å²	33	49.1 Å²	49.1	13%	0.125	26%	0.256	C	S	.	.	S	Bend	trans	-79	135.4	-179.3	-178.7	170.5	-58.7	177.7	-3.9	110.4	R121 L124 F129 D136 H195	R121-R132 PolarHBondContact NH1-O 2.69Å; R121-R132 PolarHBondContact NH2-O 2.84Å; L124-R132 HydrophobicContact CD1-CG 4.38Å; F129-R132 HydrophobicContact CB-CB 3.82Å; F129-R132 PolarHBondContact O-N 3.39Å; R132-D136 WeakPolarHBondContact CD-O 3.29Å; R132-D136 HydrophobicContact CG-CB 3.59Å; R132-H195 PolarHBondContact NH1-O 2.77Å; R132-H195 PolarHBondContact NH2-O 3.38Å
133	E	98.2	Very high	97.3	Very high	84 Å²	84	41.3 Å²	41.3	39%	0.393	22%	0.219	S	C	.	.	P	Polyproline II helix	trans	-61.8	145.2	178.2	-163.6	-171	135.4	0	0	112.2	K105 L124 G135 D136 M155 H156	K105-E133 IonicContact NZ-OE1 3.36Å; K105-E133 PolarHBondContact NZ-OE1 2.97Å; L124-E133 WeakPolarHBondContact CD1-O 3.43Å; E133-G135 PolarHBondContact O-N 3.3Å; E133-D136 HydrophobicContact CB-CB 4.49Å; E133-D136 WeakPolarHBondContact O-CB 3.41Å; E133-D136 PolarHBondContact O-N 3.07Å; E133-M155 HydrophobicContact CB-CE 4.04Å; E133-M155 HydrophobicContact CG-CE 4.04Å; E133-M155 VanDerWaalsContact OE1-CE 3.27Å; E133-M155 WeakPolarHBondContact OE1-CE 3.4Å; E133-H156 IonicContact OE2-CD2 3.69Å; E133-H156 IonicContact OE2-CE1 3.92Å; E133-H156 IonicContact OE2-NE2 3.51Å; E133-H156 PolarHBondContact OE2-NE2 2.84Å
134	E	98.3	Very high	97.5	Very high	93 Å²	93	40.8 Å²	40.8	44%	0.435	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	131.8	170.5	-179	167.2	-135.9	0	0	110.5	K105 G119 R121	K105-E134 WeakPolarHBondContact CE-O 3.4Å; K105-E134 PolarHBondContact NZ-O 2.91Å; G119-E134 WeakPolarHBondContact O-CG 3.44Å; R121-E134 PolarHBondContact N-OE1 3.35Å
135	G	97.5	Very high	97.5	Very high	4 Å²	4	40.9 Å²	40.9	4%	0.041	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.4	-13.8	-173.9	0	0	0	0	0	115	A104 G119 E133 L137	A104-G135 WeakPolarHBondContact CB-O 3.38Å; A104-G135 PolarHBondContact N-O 2.91Å; G119-G135 PolarHBondContact O-N 2.96Å; E133-G135 PolarHBondContact O-N 3.3Å; G135-L137 PolarHBondContact O-N 2.7Å
136	D	98.5	Very high	97.6	Very high	6 Å²	6	38.7 Å²	38.7	3%	0.032	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-78.3	112.3	173.2	-176.5	-25.8	0	0	0	109.4	R132 E133 G138 Y152 D154 M155	R132-D136 WeakPolarHBondContact CD-O 3.29Å; R132-D136 HydrophobicContact CG-CB 3.59Å; E133-D136 HydrophobicContact CB-CB 4.49Å; E133-D136 WeakPolarHBondContact O-CB 3.41Å; E133-D136 PolarHBondContact O-N 3.07Å; D136-G138 VanDerWaalsContact C-N 3.33Å; D136-G138 WeakPolarHBondContact OD1-CA 3.16Å; D136-G138 PolarHBondContact OD1-N 2.78Å; D136-Y152 VanDerWaalsContact CG-OH 3.26Å; D136-Y152 PolarHBondContact OD1-OH 2.94Å; D136-Y152 PolarHBondContact OD2-OH 3.13Å; D136-D154 WeakPolarHBondContact OD2-CA 3.32Å; D136-M155 VanDerWaalsContact CA-SD 3.5Å; D136-M155 HydrophobicContact CB-CB 4.19Å; D136-M155 HydrophobicContact CB-CE 4.25Å; D136-M155 HydrophobicContact CB-CG 3.94Å; D136-M155 HydrophobicContact CB-SD 3.59Å; D136-M155 VanDerWaalsContact CB-SD 3.59Å; D136-M155 PolarHBondContact OD2-N 3.37Å
137	L	98.4	Very high	97.8	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.181	C	C	.	.			trans	-86.3	-5.2	-177.2	-62.2	172.1	0	0	0	113.1	W96 T102 A104 W115 N118 G135 V140 A197	W96-L137 HydrophobicContact CH2-CD1 3.54Å; W96-L137 HydrophobicContact CZ2-CD1 3.93Å; T102-L137 WeakPolarHBondContact O-CB 3.21Å; T102-L137 PolarHBondContact O-N 2.72Å; T102-L137 VanDerWaalsContact O-N 3.08Å; A104-L137 HydrophobicContact CB-CD1 3.95Å; A104-L137 HydrophobicContact CB-CD2 4.33Å; A104-L137 HydrophobicContact CB-CG 4.09Å; W115-L137 HydrophobicContact CB-CD1 4.09Å; W115-L137 HydrophobicContact CD2-CD1 3.71Å; W115-L137 HydrophobicContact CE3-CD1 3.58Å; W115-L137 HydrophobicContact CE3-CD2 3.86Å; W115-L137 HydrophobicContact CE3-CG 4.33Å; W115-L137 HydrophobicContact CG-CD1 3.91Å; W115-L137 HydrophobicContact CZ3-CD1 4.35Å; N118-L137 HydrophobicContact CB-CD2 4.39Å; G135-L137 PolarHBondContact O-N 2.7Å; L137-V140 HydrophobicContact CB-CG1 3.97Å; L137-V140 HydrophobicContact CB-CG2 3.96Å; L137-V140 HydrophobicContact CD1-CG2 4.48Å; L137-V140 VanDerWaalsContact O-CG1 3.3Å; L137-V140 WeakPolarHBondContact O-CG1 3.43Å; L137-A197 HydrophobicContact CB-CB 4.33Å; L137-A197 HydrophobicContact CD2-CB 4.01Å; L137-A197 WeakPolarHBondContact O-CB 3.48Å; L137-A197 PolarHBondContact O-N 2.7Å
138	G	98.6	Very high	98	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.172	C	C	.	.			trans	75.2	-167.9	-169.1	0	0	0	0	0	112.6	T102 D136 V140	T102-G138 VanDerWaalsContact CB-O 3.27Å; T102-G138 WeakPolarHBondContact CB-O 3.39Å; T102-G138 WeakPolarHBondContact CG2-O 3.33Å; D136-G138 VanDerWaalsContact C-N 3.33Å; D136-G138 WeakPolarHBondContact OD1-CA 3.16Å; D136-G138 PolarHBondContact OD1-N 2.78Å; G138-V140 PolarHBondContact O-N 2.7Å
139	P	98.5	Very high	98.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.167	C	C	.	.	S	Bend	trans	-75.5	60.4	-175	32.7	-37.6	0	0	0	112.8	F143 Q144 Y152 D192 H195 M196	P139-F143 HydrophobicContact CB-CB 4.32Å; P139-F143 HydrophobicContact CB-CD1 3.29Å; P139-F143 HydrophobicContact CB-CE1 3.64Å; P139-F143 HydrophobicContact CB-CG 3.84Å; P139-F143 HydrophobicContact CB-CZ 4.44Å; P139-Q144 WeakPolarHBondContact O-CG 3.45Å; P139-Q144 PolarHBondContact O-NE2 2.91Å; P139-Y152 HydrophobicContact CB-CD2 3.74Å; P139-Y152 HydrophobicContact CB-CE2 4.46Å; P139-Y152 HydrophobicContact CB-CG 3.91Å; P139-Y152 HydrophobicContact CG-CD2 4.42Å; P139-Y152 HydrophobicContact CG-CG 4.14Å; P139-D192 HydrophobicContact CB-CB 4.5Å; P139-D192 HydrophobicContact CG-CB 3.91Å; P139-H195 WeakPolarHBondContact CD-O 3.3Å; P139-H195 HydrophobicContact CG-CB 4.05Å; P139-M196 HydrophobicContact CG-CG 4.25Å; P139-M196 WeakPolarHBondContact O-CE 3.28Å
140	V	98.4	Very high	98.2	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.163	C	C	.	.			trans	-75.8	-162.3	-179.9	-64.3	0	0	0	0	112	W96 T102 L137 G138 G142 F143 Q144 M196	W96-V140 HydrophobicContact CH2-CG2 3.92Å; T102-V140 HydrophobicContact CG2-CG2 4.2Å; L137-V140 HydrophobicContact CB-CG1 3.97Å; L137-V140 HydrophobicContact CB-CG2 3.96Å; L137-V140 HydrophobicContact CD1-CG2 4.48Å; L137-V140 VanDerWaalsContact O-CG1 3.3Å; L137-V140 WeakPolarHBondContact O-CG1 3.43Å; G138-V140 PolarHBondContact O-N 2.7Å; V140-G142 PolarHBondContact O-N 3.47Å; V140-F143 WeakPolarHBondContact O-CB 3.49Å; V140-F143 PolarHBondContact O-N 3.3Å; V140-Q144 WeakPolarHBondContact O-CG 3.45Å; V140-Q144 PolarHBondContact O-N 2.96Å; V140-M196 HydrophobicContact CG1-CB 4.11Å; V140-M196 HydrophobicContact CG1-CG 4.32Å
141	Y	98.6	Very high	98.3	Very high	5 Å²	5	33.7 Å²	33.7	2%	0.02	17%	0.172	C	C	.	.	H	α-helix	trans	-47.3	-57.5	-168	-53.7	-88.4	0	0	0	115	F97 W115 F143 Q144 W145 A187 P200 C201 H202	F97-Y141 HydrophobicContact CD1-CD2 4.33Å; F97-Y141 HydrophobicContact CD1-CG 4.32Å; F97-Y141 AromaticContact CE1-CD2 3.39Å; F97-Y141 HydrophobicContact CE1-CD2 3.39Å; F97-Y141 HydrophobicContact CE1-CE2 4.28Å; F97-Y141 AromaticContact CE1-CG 3.74Å; F97-Y141 HydrophobicContact CE1-CG 3.74Å; F97-Y141 AromaticContact CZ-CD2 3.65Å; F97-Y141 HydrophobicContact CZ-CD2 3.65Å; F97-Y141 HydrophobicContact CZ-CE2 4.17Å; F97-Y141 AromaticContact CZ-CG 3.99Å; F97-Y141 HydrophobicContact CZ-CG 3.99Å; W115-Y141 HydrophobicContact CH2-CD2 4.32Å; W115-Y141 AromaticContact CH2-CE2 3.63Å; W115-Y141 HydrophobicContact CH2-CE2 3.63Å; W115-Y141 HydrophobicContact CZ2-CD2 4.14Å; W115-Y141 AromaticContact CZ2-CE2 3.65Å; W115-Y141 HydrophobicContact CZ2-CE2 3.65Å; Y141-F143 VanDerWaalsContact C-N 3.31Å; Y141-F143 PolarHBondContact O-N 3.34Å; Y141-Q144 CarbonylContact O-C 3.56Å; Y141-Q144 PolarHBondContact O-N 2.78Å; Y141-W145 PolarHBondContact O-N 3.36Å; Y141-A187 HydrophobicContact CD1-CB 3.97Å; Y141-P200 HydrophobicContact CD1-CB 3.98Å; Y141-P200 HydrophobicContact CD1-CG 4.47Å; Y141-P200 HydrophobicContact CE1-CB 3.44Å; Y141-P200 VanDerWaalsContact CE1-CB 3.44Å; Y141-P200 HydrophobicContact CE1-CG 4.26Å; Y141-P200 WeakPolarHBondContact OH-CA 3.4Å; Y141-C201 PolarHBondContact OH-N 3.4Å; Y141-H202 AromaticContact CD1-CE1 3.32Å; Y141-H202 WeakPolarHBondContact CD1-CE1 3.37Å; Y141-H202 AromaticContact CD1-ND1 3.43Å; Y141-H202 WeakPolarHBondContact CD1-ND1 3.16Å; Y141-H202 AromaticContact CE1-CD2 3.73Å; Y141-H202 AromaticContact CE1-CE1 3.09Å; Y141-H202 WeakPolarHBondContact CE1-CE1 3.43Å; Y141-H202 AromaticContact CE1-CG 3.62Å; Y141-H202 AromaticContact CE1-ND1 3.23Å; Y141-H202 WeakPolarHBondContact CE1-ND1 3.47Å; Y141-H202 AromaticContact CE1-NE2 3.4Å; Y141-H202 WeakPolarHBondContact CE1-NE2 3.22Å; Y141-H202 AromaticContact CE2-CE1 3.98Å; Y141-H202 AromaticContact CE2-NE2 4Å; Y141-H202 AromaticContact CG-CE1 3.85Å; Y141-H202 AromaticContact CZ-CD2 3.9Å; Y141-H202 AromaticContact CZ-CE1 3.44Å; Y141-H202 VanDerWaalsContact CZ-CE1 3.44Å; Y141-H202 AromaticContact CZ-NE2 3.33Å; Y141-H202 VanDerWaalsContact CZ-NE2 3.33Å; Y141-H202 PolarHBondContact OH-NE2 3.13Å
142	G	98.2	Very high	98.4	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-59	-43.4	-176.3	0	0	0	0	0	112.3	F97 G100 V140 Q144 W145 R146	F97-G142 WeakPolarHBondContact O-CA 3.37Å; G100-G142 WeakPolarHBondContact CA-O 3.21Å; V140-G142 PolarHBondContact O-N 3.47Å; G142-Q144 VanDerWaalsContact C-N 3.34Å; G142-Q144 PolarHBondContact O-N 2.59Å; G142-W145 PolarHBondContact O-N 3.11Å; G142-W145 VanDerWaalsContact O-N 3.09Å; G142-R146 PolarHBondContact O-N 2.93Å
143	F	98.9	Very high	98.4	Very high	1 Å²	1	29.2 Å²	29.2	0%	0.004	15%	0.153	C	C	.	.	H	α-helix	trans	-59.3	-45	174.6	-174.3	-90.9	0	0	0	111.9	T102 P139 V140 Y141 W145 R146 H147 A150 Y152 Y159	T102-F143 HydrophobicContact CG2-CB 3.68Å; T102-F143 HydrophobicContact CG2-CG 4.49Å; P139-F143 HydrophobicContact CB-CB 4.32Å; P139-F143 HydrophobicContact CB-CD1 3.29Å; P139-F143 HydrophobicContact CB-CE1 3.64Å; P139-F143 HydrophobicContact CB-CG 3.84Å; P139-F143 HydrophobicContact CB-CZ 4.44Å; V140-F143 WeakPolarHBondContact O-CB 3.49Å; V140-F143 PolarHBondContact O-N 3.3Å; Y141-F143 VanDerWaalsContact C-N 3.31Å; Y141-F143 PolarHBondContact O-N 3.34Å; F143-W145 VanDerWaalsContact C-N 3.27Å; F143-W145 PolarHBondContact O-N 3.38Å; F143-R146 PolarHBondContact O-N 3.47Å; F143-H147 HydrophobicContact CD1-CB 4.41Å; F143-H147 HydrophobicContact CD2-CB 4.04Å; F143-H147 AromaticContact CD2-CD2 3.97Å; F143-H147 HydrophobicContact CE1-CB 4.28Å; F143-H147 HydrophobicContact CE2-CB 3.87Å; F143-H147 HydrophobicContact CG-CB 4.32Å; F143-H147 HydrophobicContact CZ-CB 4.03Å; F143-H147 CarbonylContact O-C 3.58Å; F143-H147 VanDerWaalsContact O-CA 3.24Å; F143-H147 WeakPolarHBondContact O-CA 3.28Å; F143-H147 WeakPolarHBondContact O-CB 3.33Å; F143-H147 PolarHBondContact O-N 3.27Å; F143-A150 HydrophobicContact CE1-CB 4.35Å; F143-A150 HydrophobicContact CZ-CB 3.77Å; F143-Y152 AromaticContact CD2-CD2 3.75Å; F143-Y152 HydrophobicContact CD2-CD2 3.75Å; F143-Y152 HydrophobicContact CD2-CE2 4.12Å; F143-Y152 HydrophobicContact CE1-CD2 4.38Å; F143-Y152 AromaticContact CE2-CD2 3.6Å; F143-Y152 HydrophobicContact CE2-CD2 3.6Å; F143-Y152 HydrophobicContact CE2-CE2 4.33Å; F143-Y152 HydrophobicContact CG-CD2 4.2Å; F143-Y152 AromaticContact CZ-CD2 3.92Å; F143-Y152 HydrophobicContact CZ-CD2 3.92Å; F143-Y159 HydrophobicContact CD2-CD2 4.31Å; F143-Y159 HydrophobicContact CD2-CE2 4.43Å; F143-Y159 HydrophobicContact CD2-CG 4.44Å; F143-Y159 AromaticContact CE2-CD1 3.6Å; F143-Y159 HydrophobicContact CE2-CD1 3.6Å; F143-Y159 AromaticContact CE2-CD2 3.92Å; F143-Y159 HydrophobicContact CE2-CD2 3.92Å; F143-Y159 AromaticContact CE2-CE1 3.66Å; F143-Y159 HydrophobicContact CE2-CE1 3.66Å; F143-Y159 AromaticContact CE2-CE2 3.99Å; F143-Y159 HydrophobicContact CE2-CE2 3.99Å; F143-Y159 AromaticContact CE2-CG 3.72Å; F143-Y159 HydrophobicContact CE2-CG 3.72Å; F143-Y159 AromaticContact CE2-CZ 3.86Å; F143-Y159 HydrophobicContact CZ-CD1 4.2Å; F143-Y159 HydrophobicContact CZ-CE1 4.17Å
144	Q	98.8	Very high	98.4	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-66.7	-29.9	176.6	-59.4	-57.4	-36.9	0	0	112	P139 V140 Y141 G142 Y148 Q166 A187 N189 D192 M196	P139-Q144 WeakPolarHBondContact O-CG 3.45Å; P139-Q144 PolarHBondContact O-NE2 2.91Å; V140-Q144 WeakPolarHBondContact O-CG 3.45Å; V140-Q144 PolarHBondContact O-N 2.96Å; Y141-Q144 CarbonylContact O-C 3.56Å; Y141-Q144 PolarHBondContact O-N 2.78Å; G142-Q144 VanDerWaalsContact C-N 3.34Å; G142-Q144 PolarHBondContact O-N 2.59Å; Q144-Y148 HydrophobicContact CB-CD2 4.15Å; Q144-Y148 WeakPolarHBondContact O-CB 3.38Å; Q144-Q166 PolarHBondContact O-NE2 2.94Å; Q144-A187 HydrophobicContact CB-CB 4.38Å; Q144-N189 VanDerWaalsContact OE1-CB 3.29Å; Q144-N189 PolarHBondContact OE1-ND2 3.44Å; Q144-D192 PolarHBondContact NE2-OD2 2.88Å; Q144-M196 HydrophobicContact CG-CE 4.02Å
145	W	98.8	Very high	98.4	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.008	13%	0.132	C	C	.	.	H	α-helix	trans	-72	-37.6	178.2	-69.2	11.7	0	0	0	112.6	L94 F97 I98 Y141 G142 F143 Q166 L167 M185 Y236 L239	L94-W145 HydrophobicContact CD1-CH2 4.02Å; L94-W145 HydrophobicContact CD1-CZ3 4.04Å; F97-W145 HydrophobicContact CB-CE3 4.08Å; F97-W145 HydrophobicContact CB-CH2 4.27Å; F97-W145 HydrophobicContact CB-CZ3 3.87Å; F97-W145 HydrophobicContact CD2-CH2 4.35Å; I98-W145 HydrophobicContact CG1-CZ3 4.43Å; Y141-W145 PolarHBondContact O-N 3.36Å; G142-W145 PolarHBondContact O-N 3.11Å; G142-W145 VanDerWaalsContact O-N 3.09Å; F143-W145 VanDerWaalsContact C-N 3.27Å; F143-W145 PolarHBondContact O-N 3.38Å; W145-Q166 PolarHBondContact O-N 3.47Å; W145-L167 PolarHBondContact O-N 3.38Å; W145-L167 VanDerWaalsContact O-N 3.13Å; W145-M185 HydrophobicContact CB-SD 3.93Å; W145-M185 HydrophobicContact CD2-CE 3.54Å; W145-M185 HydrophobicContact CD2-SD 3.49Å; W145-M185 VanDerWaalsContact CE2-CE 3.43Å; W145-M185 HydrophobicContact CE3-CE 3.78Å; W145-M185 HydrophobicContact CE3-SD 3.93Å; W145-M185 HydrophobicContact CG-CE 4.14Å; W145-M185 HydrophobicContact CG-CG 4.17Å; W145-M185 HydrophobicContact CG-SD 3.48Å; W145-M185 HydrophobicContact CH2-CE 3.85Å; W145-M185 HydrophobicContact CZ2-CE 3.61Å; W145-M185 HydrophobicContact CZ3-CE 3.93Å; W145-Y236 HydrophobicContact CZ2-CE1 4.45Å; W145-L239 HydrophobicContact CH2-CD2 3.88Å; W145-L239 HydrophobicContact CZ3-CD1 4.44Å; W145-L239 HydrophobicContact CZ3-CD2 4.14Å
146	R	98.8	Very high	98.4	Very high	24 Å²	24	29.9 Å²	29.9	9%	0.091	16%	0.157	C	C	.	.	H	α-helix	trans	-104	-23.5	-172.8	-52.7	-49.9	-63.3	-91.5	2.1	114.2	I98 G142 F143 V164 D165 D295	I98-R146 VanDerWaalsContact O-CD 3.3Å; I98-R146 WeakPolarHBondContact O-CD 3.3Å; I98-R146 WeakPolarHBondContact O-CG 3.45Å; I98-R146 PolarHBondContact O-NH1 3.29Å; G142-R146 PolarHBondContact O-N 2.93Å; F143-R146 PolarHBondContact O-N 3.47Å; R146-V164 CarbonylContact C-O 3.54Å; R146-D165 IonicContact CZ-OD1 2.7Å; R146-D165 IonicContact CZ-OD2 2.77Å; R146-D165 VanDerWaalsContact NE-CG 3.34Å; R146-D165 IonicContact NE-OD1 3.65Å; R146-D165 PolarHBondContact NE-OD1 2.89Å; R146-D165 IonicContact NE-OD2 3.57Å; R146-D165 PolarHBondContact NE-OD2 3.26Å; R146-D165 IonicContact NH2-OD2 2.85Å; R146-D165 PolarHBondContact NH2-OD2 2.86Å; R146-D165 VanDerWaalsContact O-CA 3.3Å; R146-D165 WeakPolarHBondContact O-CA 3.25Å; R146-D165 WeakPolarHBondContact O-CB 3.48Å; R146-D295 IonicContact CZ-OD1 3.73Å; R146-D295 IonicContact NH1-OD1 3.29Å; R146-D295 PolarHBondContact NH1-OD1 3.1Å; R146-D295 IonicContact NH1-OD2 3.14Å; R146-D295 IonicContact NH2-OD1 3.78Å; R146-D295 IonicContact NH2-OD2 3.14Å; R146-D295 PolarHBondContact NH2-OD2 2.76Å
147	H	98.8	Very high	98.4	Very high	25 Å²	25	33.3 Å²	33.3	12%	0.116	17%	0.171	C	C	.	.	H	α-helix	trans	-138.9	33.5	-168	-50.4	-57.5	0	0	0	112.7	F143 G149 A150 Y159 Q162	F143-H147 HydrophobicContact CD1-CB 4.41Å; F143-H147 HydrophobicContact CD2-CB 4.04Å; F143-H147 AromaticContact CD2-CD2 3.97Å; F143-H147 HydrophobicContact CE1-CB 4.28Å; F143-H147 HydrophobicContact CE2-CB 3.87Å; F143-H147 HydrophobicContact CG-CB 4.32Å; F143-H147 HydrophobicContact CZ-CB 4.03Å; F143-H147 CarbonylContact O-C 3.58Å; F143-H147 VanDerWaalsContact O-CA 3.24Å; F143-H147 WeakPolarHBondContact O-CA 3.28Å; F143-H147 WeakPolarHBondContact O-CB 3.33Å; F143-H147 PolarHBondContact O-N 3.27Å; H147-G149 PolarHBondContact O-N 2.92Å; H147-A150 HydrophobicContact CB-CB 4.05Å; H147-A150 VanDerWaalsContact O-CB 3.23Å; H147-A150 WeakPolarHBondContact O-CB 3.31Å; H147-A150 PolarHBondContact O-N 3.14Å; H147-Y159 PolarHBondContact CE1-O 2.86Å; H147-Y159 VanDerWaalsContact CE1-O 3.27Å; H147-Y159 PolarHBondContact ND1-O 2.9Å; H147-Y159 VanDerWaalsContact ND1-O 3.1Å; H147-Q162 WeakPolarHBondContact CA-O 3.23Å; H147-Q162 PolarHBondContact ND1-O 3.21Å
148	Y	98.8	Very high	98.3	Very high	63 Å²	63	38.8 Å²	38.8	25%	0.247	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-54.6	125.3	-175.6	-166	-86.6	0	0	0	111.5	Q144 A150 G163 V164 N189	Q144-Y148 HydrophobicContact CB-CD2 4.15Å; Q144-Y148 WeakPolarHBondContact O-CB 3.38Å; Y148-A150 VanDerWaalsContact C-N 3.31Å; Y148-A150 PolarHBondContact O-N 3.07Å; Y148-G163 CarbonylContact O-C 3.53Å; Y148-G163 VanDerWaalsContact O-CA 3.31Å; Y148-G163 WeakPolarHBondContact O-CA 3.44Å; Y148-V164 PolarHBondContact N-O 2.79Å; Y148-V164 PolarHBondContact O-N 3.39Å; Y148-N189 HydrophobicContact CD2-CB 4.5Å; Y148-N189 HydrophobicContact CE2-CB 3.66Å
149	G	98.4	Very high	98.3	Very high	43 Å²	43	39.4 Å²	39.4	44%	0.443	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.1	-2.8	180	0	0	0	0	0	115.8	H147	H147-G149 PolarHBondContact O-N 2.92Å
150	A	98.6	Very high	98.2	Very high	7 Å²	7	44.5 Å²	44.5	6%	0.058	23%	0.234	C	C	.	.			trans	-65.9	151.3	168.4	0	0	0	0	0	111.2	F143 H147 Y148 Y152 Q162	F143-A150 HydrophobicContact CE1-CB 4.35Å; F143-A150 HydrophobicContact CZ-CB 3.77Å; H147-A150 HydrophobicContact CB-CB 4.05Å; H147-A150 VanDerWaalsContact O-CB 3.23Å; H147-A150 WeakPolarHBondContact O-CB 3.31Å; H147-A150 PolarHBondContact O-N 3.14Å; Y148-A150 VanDerWaalsContact C-N 3.31Å; Y148-A150 PolarHBondContact O-N 3.07Å; A150-Y152 PolarHBondContact O-N 3.24Å; A150-Q162 HydrophobicContact CB-CB 3.88Å
151	E	98.3	Very high	98.1	Very high	155 Å²	155	48.5 Å²	48.5	72%	0.724	28%	0.276	S	S	*	.			trans	-80.7	113.9	174.2	-172.8	173.4	-172.5	0	0	110.1	Y159	E151-Y159 WeakPolarHBondContact O-CE1 3.27Å
152	Y	98.5	Very high	98.1	Very high	36 Å²	36	51.4 Å²	51.4	14%	0.141	29%	0.289	C	S	.	.			trans	-73.6	129.3	177.5	-168.6	-94	0	0	0	111	T102 D136 P139 F143 A150 M155 Y159	T102-Y152 HydrophobicContact CG2-CE2 3.98Å; T102-Y152 PolarHBondContact OG1-OH 2.94Å; D136-Y152 VanDerWaalsContact CG-OH 3.26Å; D136-Y152 PolarHBondContact OD1-OH 2.94Å; D136-Y152 PolarHBondContact OD2-OH 3.13Å; P139-Y152 HydrophobicContact CB-CD2 3.74Å; P139-Y152 HydrophobicContact CB-CE2 4.46Å; P139-Y152 HydrophobicContact CB-CG 3.91Å; P139-Y152 HydrophobicContact CG-CD2 4.42Å; P139-Y152 HydrophobicContact CG-CG 4.14Å; F143-Y152 AromaticContact CD2-CD2 3.75Å; F143-Y152 HydrophobicContact CD2-CD2 3.75Å; F143-Y152 HydrophobicContact CD2-CE2 4.12Å; F143-Y152 HydrophobicContact CE1-CD2 4.38Å; F143-Y152 AromaticContact CE2-CD2 3.6Å; F143-Y152 HydrophobicContact CE2-CD2 3.6Å; F143-Y152 HydrophobicContact CE2-CE2 4.33Å; F143-Y152 HydrophobicContact CG-CD2 4.2Å; F143-Y152 AromaticContact CZ-CD2 3.92Å; F143-Y152 HydrophobicContact CZ-CD2 3.92Å; A150-Y152 PolarHBondContact O-N 3.24Å; Y152-M155 WeakPolarHBondContact OH-CA 3.22Å; Y152-M155 PolarHBondContact OH-N 3.05Å; Y152-Y159 HydrophobicContact CD2-CE2 4.46Å; Y152-Y159 AromaticContact CD2-CZ 3.99Å; Y152-Y159 HydrophobicContact CE2-CE2 4.39Å
153	S	97.1	Very high	98.2	Very high	65 Å²	65	53.4 Å²	53.4	46%	0.455	31%	0.31	S	S	.	.			trans	-102.1	-64.8	167.8	66.2	0	0	0	0	111	K157 Y159	S153-K157 WeakPolarHBondContact OG-CB 3.17Å; S153-K157 WeakPolarHBondContact OG-CD 3.38Å; S153-Y159 PolarHBondContact N-OH 3.36Å; S153-Y159 PolarHBondContact OG-OH 3.34Å
154	D	97.8	Very high	98.1	Very high	59 Å²	59	56.6 Å²	56.6	32%	0.316	33%	0.329	S	S	.	.			trans	-157.9	169.4	-173.8	59.6	78.7	0	0	0	110.2	D136 H156 K157 Y159	D136-D154 WeakPolarHBondContact OD2-CA 3.32Å; D154-H156 VanDerWaalsContact C-N 3.26Å; D154-H156 PolarHBondContact O-N 2.9Å; D154-H156 WeakPolarHBondContact OD1-CA 3.2Å; D154-H156 WeakPolarHBondContact OD1-CB 3.34Å; D154-H156 PolarHBondContact OD1-N 2.84Å; D154-K157 PolarHBondContact OD1-N 3.23Å; D154-Y159 PolarHBondContact N-OH 2.91Å; D154-Y159 VanDerWaalsContact N-OH 3.1Å; D154-Y159 WeakPolarHBondContact O-CE2 3.18Å; D154-Y159 PolarHBondContact O-OH 2.82Å
155	M	98	Very high	98.1	Very high	17 Å²	17	58.8 Å²	58.8	8%	0.084	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-7.2	-178.6	68.2	179.6	174.8	0	0	115.8	T102 N103 E133 D136 Y152	T102-M155 WeakPolarHBondContact OG1-CB 3.36Å; N103-M155 HydrophobicContact CB-CB 4.13Å; N103-M155 HydrophobicContact CB-CG 4.16Å; N103-M155 HydrophobicContact CB-SD 3.53Å; N103-M155 VanDerWaalsContact CB-SD 3.53Å; N103-M155 PolarHBondContact OD1-SD 3.12Å; E133-M155 HydrophobicContact CB-CE 4.04Å; E133-M155 HydrophobicContact CG-CE 4.04Å; E133-M155 VanDerWaalsContact OE1-CE 3.27Å; E133-M155 WeakPolarHBondContact OE1-CE 3.4Å; D136-M155 VanDerWaalsContact CA-SD 3.5Å; D136-M155 HydrophobicContact CB-CB 4.19Å; D136-M155 HydrophobicContact CB-CE 4.25Å; D136-M155 HydrophobicContact CB-CG 3.94Å; D136-M155 HydrophobicContact CB-SD 3.59Å; D136-M155 VanDerWaalsContact CB-SD 3.59Å; D136-M155 PolarHBondContact OD2-N 3.37Å; Y152-M155 WeakPolarHBondContact OH-CA 3.22Å; Y152-M155 PolarHBondContact OH-N 3.05Å
156	H	97.9	Very high	98.1	Very high	119 Å²	119	59.8 Å²	59.8	55%	0.551	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.9	-20.5	-176.9	-56.6	-68.2	0	0	0	113.1	E133 D154	E133-H156 IonicContact OE2-CD2 3.69Å; E133-H156 IonicContact OE2-CE1 3.92Å; E133-H156 IonicContact OE2-NE2 3.51Å; E133-H156 PolarHBondContact OE2-NE2 2.84Å; D154-H156 VanDerWaalsContact C-N 3.26Å; D154-H156 PolarHBondContact O-N 2.9Å; D154-H156 WeakPolarHBondContact OD1-CA 3.2Å; D154-H156 WeakPolarHBondContact OD1-CB 3.34Å; D154-H156 PolarHBondContact OD1-N 2.84Å
157	K	97.8	Very high	98.1	Very high	79 Å²	79	58.7 Å²	58.7	34%	0.343	34%	0.342	S	S	.	.	S	Bend	trans	-60.9	139.6	177.1	177.4	176	174.3	-155.9	0	111.4	S153 D154 Y159	S153-K157 WeakPolarHBondContact OG-CB 3.17Å; S153-K157 WeakPolarHBondContact OG-CD 3.38Å; D154-K157 PolarHBondContact OD1-N 3.23Å; K157-Y159 HydrophobicContact CB-CD2 4.44Å; K157-Y159 HydrophobicContact CB-CE1 4.41Å; K157-Y159 HydrophobicContact CB-CE2 3.8Å; K157-Y159 HydrophobicContact CD-CD1 4.18Å; K157-Y159 HydrophobicContact CD-CE1 3.63Å; K157-Y159 HydrophobicContact CG-CD1 4.39Å; K157-Y159 HydrophobicContact CG-CE1 4.09Å; K157-Y159 HydrophobicContact CG-CE2 4.2Å; K157-Y159 WeakPolarHBondContact O-CD2 3.39Å; K157-Y159 VanDerWaalsContact O-CE2 3.28Å; K157-Y159 WeakPolarHBondContact O-CE2 3.47Å; K157-Y159 PolarHBondContact O-N 2.99Å
158	D	97.4	Very high	98.1	Very high	114 Å²	114	60.4 Å²	60.4	61%	0.61	35%	0.35	S	S	*	.			trans	-77.4	117.9	166.7	-177.2	11	0	0	0	110.2	T160 Q162	D158-T160 WeakPolarHBondContact OD1-CB 3.32Å; D158-T160 PolarHBondContact OD1-N 2.82Å; D158-T160 PolarHBondContact OD1-OG1 2.87Å; D158-Q162 PolarHBondContact O-NE2 3.38Å
159	Y	98.3	Very high	98.1	Very high	13 Å²	13	62.6 Å²	62.6	5%	0.051	36%	0.364	C	S	.	.			trans	-100.2	9.3	177.9	-62.9	-83.5	0	0	0	113.1	F143 H147 E151 Y152 S153 D154 K157 G161 Q162	F143-Y159 HydrophobicContact CD2-CD2 4.31Å; F143-Y159 HydrophobicContact CD2-CE2 4.43Å; F143-Y159 HydrophobicContact CD2-CG 4.44Å; F143-Y159 AromaticContact CE2-CD1 3.6Å; F143-Y159 HydrophobicContact CE2-CD1 3.6Å; F143-Y159 AromaticContact CE2-CD2 3.92Å; F143-Y159 HydrophobicContact CE2-CD2 3.92Å; F143-Y159 AromaticContact CE2-CE1 3.66Å; F143-Y159 HydrophobicContact CE2-CE1 3.66Å; F143-Y159 AromaticContact CE2-CE2 3.99Å; F143-Y159 HydrophobicContact CE2-CE2 3.99Å; F143-Y159 AromaticContact CE2-CG 3.72Å; F143-Y159 HydrophobicContact CE2-CG 3.72Å; F143-Y159 AromaticContact CE2-CZ 3.86Å; F143-Y159 HydrophobicContact CZ-CD1 4.2Å; F143-Y159 HydrophobicContact CZ-CE1 4.17Å; H147-Y159 PolarHBondContact CE1-O 2.86Å; H147-Y159 VanDerWaalsContact CE1-O 3.27Å; H147-Y159 PolarHBondContact ND1-O 2.9Å; H147-Y159 VanDerWaalsContact ND1-O 3.1Å; E151-Y159 WeakPolarHBondContact O-CE1 3.27Å; Y152-Y159 HydrophobicContact CD2-CE2 4.46Å; Y152-Y159 AromaticContact CD2-CZ 3.99Å; Y152-Y159 HydrophobicContact CE2-CE2 4.39Å; S153-Y159 PolarHBondContact N-OH 3.36Å; S153-Y159 PolarHBondContact OG-OH 3.34Å; D154-Y159 PolarHBondContact N-OH 2.91Å; D154-Y159 VanDerWaalsContact N-OH 3.1Å; D154-Y159 WeakPolarHBondContact O-CE2 3.18Å; D154-Y159 PolarHBondContact O-OH 2.82Å; K157-Y159 HydrophobicContact CB-CD2 4.44Å; K157-Y159 HydrophobicContact CB-CE1 4.41Å; K157-Y159 HydrophobicContact CB-CE2 3.8Å; K157-Y159 HydrophobicContact CD-CD1 4.18Å; K157-Y159 HydrophobicContact CD-CE1 3.63Å; K157-Y159 HydrophobicContact CG-CD1 4.39Å; K157-Y159 HydrophobicContact CG-CE1 4.09Å; K157-Y159 HydrophobicContact CG-CE2 4.2Å; K157-Y159 WeakPolarHBondContact O-CD2 3.39Å; K157-Y159 VanDerWaalsContact O-CE2 3.28Å; K157-Y159 WeakPolarHBondContact O-CE2 3.47Å; K157-Y159 PolarHBondContact O-N 2.99Å; Y159-G161 PolarHBondContact O-N 3.16Å; Y159-Q162 WeakPolarHBondContact O-CB 3.45Å; Y159-Q162 PolarHBondContact O-N 3.09Å
160	T	96.3	Very high	98.2	Very high	108 Å²	108	60.8 Å²	60.8	66%	0.663	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	126.8	179	-61.2	0	0	0	0	111.3	D158 Q162	D158-T160 WeakPolarHBondContact OD1-CB 3.32Å; D158-T160 PolarHBondContact OD1-N 2.82Å; D158-T160 PolarHBondContact OD1-OG1 2.87Å; T160-Q162 PolarHBondContact O-N 2.99Å
161	G	97.1	Very high	98.2	Very high	84 Å²	84	60.6 Å²	60.6	87%	0.866	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.7	3.6	-178.9	0	0	0	0	0	115.5	Y159	Y159-G161 PolarHBondContact O-N 3.16Å
162	Q	98.5	Very high	98.2	Very high	65 Å²	65	56.7 Å²	56.7	30%	0.304	33%	0.326	S	S	.	.			trans	-97.4	140.7	175	-64	169.3	62.1	0	0	111	H147 A150 D158 Y159 T160	H147-Q162 WeakPolarHBondContact CA-O 3.23Å; H147-Q162 PolarHBondContact ND1-O 3.21Å; A150-Q162 HydrophobicContact CB-CB 3.88Å; D158-Q162 PolarHBondContact O-NE2 3.38Å; Y159-Q162 WeakPolarHBondContact O-CB 3.45Å; Y159-Q162 PolarHBondContact O-N 3.09Å; T160-Q162 PolarHBondContact O-N 2.99Å
163	G	98.4	Very high	98.2	Very high	43 Å²	43	56.7 Å²	56.7	44%	0.443	33%	0.33	S	S	.	.	S	Bend	trans	73.2	-157.7	179.9	0	0	0	0	0	113	Y148	Y148-G163 CarbonylContact O-C 3.53Å; Y148-G163 VanDerWaalsContact O-CA 3.31Å; Y148-G163 WeakPolarHBondContact O-CA 3.44Å
164	V	98.8	Very high	98.3	Very high	67 Å²	67	53.8 Å²	53.8	41%	0.406	31%	0.309	S	S	.	.	B	Isolated β-bridge	trans	-110.1	120.9	178	-178.8	0	0	0	0	109.5	R146 Y148 Q166 M169	R146-V164 CarbonylContact C-O 3.54Å; Y148-V164 PolarHBondContact N-O 2.79Å; Y148-V164 PolarHBondContact O-N 3.39Å; V164-Q166 HydrophobicContact CG1-CG 4.32Å; V164-Q166 PolarHBondContact O-N 3.5Å; V164-Q166 VanDerWaalsContact O-N 3.1Å; V164-M169 HydrophobicContact CG1-SD 3.36Å; V164-M169 WeakPolarHBondContact CG1-SD 3.36Å
165	D	98.8	Very high	98.3	Very high	46 Å²	46	56.1 Å²	56.1	25%	0.246	32%	0.316	C	S	.	.			trans	-80.5	85.3	172.1	-167.7	-20.9	0	0	0	109.8	R146 L167 Q168 M169	R146-D165 IonicContact CZ-OD1 2.7Å; R146-D165 IonicContact CZ-OD2 2.77Å; R146-D165 VanDerWaalsContact NE-CG 3.34Å; R146-D165 IonicContact NE-OD1 3.65Å; R146-D165 PolarHBondContact NE-OD1 2.89Å; R146-D165 IonicContact NE-OD2 3.57Å; R146-D165 PolarHBondContact NE-OD2 3.26Å; R146-D165 IonicContact NH2-OD2 2.85Å; R146-D165 PolarHBondContact NH2-OD2 2.86Å; R146-D165 VanDerWaalsContact O-CA 3.3Å; R146-D165 WeakPolarHBondContact O-CA 3.25Å; R146-D165 WeakPolarHBondContact O-CB 3.48Å; D165-L167 VanDerWaalsContact C-N 3.31Å; D165-L167 PolarHBondContact O-N 3.13Å; D165-L167 PolarHBondContact OD1-N 3.32Å; D165-Q168 HydrophobicContact CB-CB 4.06Å; D165-Q168 VanDerWaalsContact CG-CB 3.43Å; D165-Q168 PolarHBondContact O-N 3Å; D165-Q168 WeakPolarHBondContact OD1-CB 3.34Å; D165-Q168 PolarHBondContact OD1-N 3.08Å; D165-M169 WeakPolarHBondContact O-CG 3.47Å; D165-M169 PolarHBondContact O-N 3.23Å
166	Q	98.9	Very high	98.4	Very high	24 Å²	24	60.8 Å²	60.8	11%	0.112	35%	0.346	C	S	.	.	H	α-helix	trans	-63.1	-37.9	-179.1	-64.9	-175.4	87.7	0	0	111.9	Q144 W145 V164 M169 V170 M185 C186	Q144-Q166 PolarHBondContact O-NE2 2.94Å; W145-Q166 PolarHBondContact O-N 3.47Å; V164-Q166 HydrophobicContact CG1-CG 4.32Å; V164-Q166 PolarHBondContact O-N 3.5Å; V164-Q166 VanDerWaalsContact O-N 3.1Å; Q166-M169 PolarHBondContact O-N 3.05Å; Q166-V170 WeakPolarHBondContact O-CG2 3.37Å; Q166-V170 PolarHBondContact O-N 3.18Å; Q166-M185 HydrophobicContact CB-CG 4.01Å; Q166-C186 PolarHBondContact NE2-O 2.92Å
167	L	98.8	Very high	98.4	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-63	-46.8	179.2	177.5	59.1	0	0	0	110.6	I98 W145 D165 V170 I171 M185 I243 I294	I98-L167 HydrophobicContact CB-CD2 4.33Å; I98-L167 HydrophobicContact CG1-CD2 4.12Å; I98-L167 HydrophobicContact CG2-CD2 4.03Å; W145-L167 PolarHBondContact O-N 3.38Å; W145-L167 VanDerWaalsContact O-N 3.13Å; D165-L167 VanDerWaalsContact C-N 3.31Å; D165-L167 PolarHBondContact O-N 3.13Å; D165-L167 PolarHBondContact OD1-N 3.32Å; L167-V170 PolarHBondContact O-N 3.17Å; L167-I171 HydrophobicContact CD1-CD1 4.11Å; L167-I171 HydrophobicContact CG-CD1 4.06Å; L167-I171 WeakPolarHBondContact O-CD1 3.39Å; L167-I171 WeakPolarHBondContact O-CG1 3.46Å; L167-I171 PolarHBondContact O-N 3.36Å; L167-I171 VanDerWaalsContact O-N 3.09Å; L167-M185 HydrophobicContact CB-SD 4.14Å; L167-M185 HydrophobicContact CD1-SD 4.32Å; L167-I243 HydrophobicContact CD1-CD1 4.19Å; L167-I294 HydrophobicContact CD2-CG1 4.14Å; L167-I294 HydrophobicContact CD2-CG2 4.15Å
168	Q	98.8	Very high	98.4	Very high	62 Å²	62	57.4 Å²	57.4	29%	0.29	34%	0.339	S	S	.	.	H	α-helix	trans	-65.4	-42.2	177.1	-170.1	59	53.1	0	0	111.5	D165 V170 I171 D172	D165-Q168 HydrophobicContact CB-CB 4.06Å; D165-Q168 VanDerWaalsContact CG-CB 3.43Å; D165-Q168 PolarHBondContact O-N 3Å; D165-Q168 WeakPolarHBondContact OD1-CB 3.34Å; D165-Q168 PolarHBondContact OD1-N 3.08Å; Q168-V170 VanDerWaalsContact C-N 3.31Å; Q168-V170 PolarHBondContact O-N 3.05Å; Q168-I171 PolarHBondContact O-N 2.81Å; Q168-I171 VanDerWaalsContact O-N 3.16Å; Q168-D172 PolarHBondContact NE2-OD1 3.29Å; Q168-D172 WeakPolarHBondContact O-CB 3.46Å; Q168-D172 VanDerWaalsContact O-CG 3.27Å; Q168-D172 PolarHBondContact O-N 2.94Å
169	M	98.8	Very high	98.5	Very high	109 Å²	109	60 Å²	60	54%	0.537	35%	0.347	S	S	.	.	H	α-helix	trans	-58.3	-41	174.8	-75.6	-179.5	65.1	0	0	112.7	V164 D165 Q166 T173	V164-M169 HydrophobicContact CG1-SD 3.36Å; V164-M169 WeakPolarHBondContact CG1-SD 3.36Å; D165-M169 WeakPolarHBondContact O-CG 3.47Å; D165-M169 PolarHBondContact O-N 3.23Å; Q166-M169 PolarHBondContact O-N 3.05Å; M169-T173 VanDerWaalsContact O-CB 3.29Å; M169-T173 WeakPolarHBondContact O-CB 3.41Å; M169-T173 PolarHBondContact O-N 3.01Å; M169-T173 PolarHBondContact O-OG1 3.5Å
170	V	98.9	Very high	98.5	Very high	4 Å²	4	61.3 Å²	61.3	2%	0.024	36%	0.355	C	S	.	.	H	α-helix	trans	-59.8	-50.3	174.1	160	0	0	0	0	110.6	Q166 L167 Q168 D172 T173 I174 I183 M185 F207 I243	Q166-V170 WeakPolarHBondContact O-CG2 3.37Å; Q166-V170 PolarHBondContact O-N 3.18Å; L167-V170 PolarHBondContact O-N 3.17Å; Q168-V170 VanDerWaalsContact C-N 3.31Å; Q168-V170 PolarHBondContact O-N 3.05Å; V170-D172 PolarHBondContact O-N 3.32Å; V170-T173 PolarHBondContact O-N 2.86Å; V170-I174 HydrophobicContact CG1-CD1 3.73Å; V170-I174 VanDerWaalsContact O-CG1 3.27Å; V170-I174 WeakPolarHBondContact O-CG1 3.24Å; V170-I174 PolarHBondContact O-N 3.48Å; V170-I183 HydrophobicContact CB-CG2 4.17Å; V170-I183 HydrophobicContact CG1-CG2 3.78Å; V170-I183 HydrophobicContact CG2-CG2 4.02Å; V170-M185 HydrophobicContact CG2-CB 4.21Å; V170-F207 HydrophobicContact CG1-CD2 3.58Å; V170-F207 HydrophobicContact CG1-CE2 3.71Å; V170-F207 HydrophobicContact CG1-CG 4.21Å; V170-F207 HydrophobicContact CG1-CZ 4.43Å; V170-F207 HydrophobicContact CG2-CD2 4.25Å; V170-F207 HydrophobicContact CG2-CE2 4.32Å; V170-I243 HydrophobicContact CG1-CD1 4.36Å
171	I	98.9	Very high	98.6	Very high	3 Å²	3	66.5 Å²	66.5	2%	0.015	36%	0.363	C	S	.	.	H	α-helix	trans	-61.1	-45.8	-179	-67.3	161	0	0	0	110.9	L167 Q168 I174 K175 I243 I246 T247 I294	L167-I171 HydrophobicContact CD1-CD1 4.11Å; L167-I171 HydrophobicContact CG-CD1 4.06Å; L167-I171 WeakPolarHBondContact O-CD1 3.39Å; L167-I171 WeakPolarHBondContact O-CG1 3.46Å; L167-I171 PolarHBondContact O-N 3.36Å; L167-I171 VanDerWaalsContact O-N 3.09Å; Q168-I171 PolarHBondContact O-N 2.81Å; Q168-I171 VanDerWaalsContact O-N 3.16Å; I171-I174 PolarHBondContact O-N 2.72Å; I171-K175 HydrophobicContact CG2-CD 4.36Å; I171-K175 WeakPolarHBondContact O-CG 3.38Å; I171-K175 PolarHBondContact O-N 2.85Å; I171-K175 VanDerWaalsContact O-N 3.1Å; I171-I243 HydrophobicContact CG1-CG1 4.48Å; I171-I243 HydrophobicContact CG1-CG2 4.35Å; I171-I246 HydrophobicContact CD1-CD1 3.76Å; I171-I246 HydrophobicContact CG1-CD1 4.06Å; I171-I246 HydrophobicContact CG2-CD1 4.02Å; I171-T247 HydrophobicContact CG2-CG2 4.26Å; I171-I294 HydrophobicContact CD1-CB 3.74Å; I171-I294 HydrophobicContact CD1-CG1 4.14Å; I171-I294 HydrophobicContact CD1-CG2 3.73Å
172	D	98.8	Very high	98.6	Very high	74 Å²	74	72.3 Å²	72.3	40%	0.396	36%	0.358	S	S	.	.	H	α-helix	trans	-65.6	-41	-179.7	-68.3	-18	0	0	0	111.4	Q168 V170 K175 T176	Q168-D172 PolarHBondContact NE2-OD1 3.29Å; Q168-D172 WeakPolarHBondContact O-CB 3.46Å; Q168-D172 VanDerWaalsContact O-CG 3.27Å; Q168-D172 PolarHBondContact O-N 2.94Å; V170-D172 PolarHBondContact O-N 3.32Å; D172-K175 PolarHBondContact O-N 2.94Å; D172-T176 WeakPolarHBondContact O-CB 3.45Å; D172-T176 WeakPolarHBondContact O-CG2 3.48Å; D172-T176 PolarHBondContact O-N 2.99Å; D172-T176 PolarHBondContact O-OG1 3.07Å
173	T	98.9	Very high	98.7	Very high	35 Å²	35	69.3 Å²	69.3	22%	0.215	34%	0.344	C	S	.	.	H	α-helix	trans	-65.7	-41.6	177.5	-53.1	0	0	0	0	110.8	M169 V170 K175 T176 N177 D180 I183	M169-T173 VanDerWaalsContact O-CB 3.29Å; M169-T173 WeakPolarHBondContact O-CB 3.41Å; M169-T173 PolarHBondContact O-N 3.01Å; M169-T173 PolarHBondContact O-OG1 3.5Å; V170-T173 PolarHBondContact O-N 2.86Å; T173-K175 VanDerWaalsContact C-N 3.28Å; T173-K175 PolarHBondContact O-N 2.84Å; T173-T176 PolarHBondContact O-N 3.22Å; T173-N177 HydrophobicContact CG2-CB 4.32Å; T173-N177 CarbonylContact O-C 3.6Å; T173-N177 WeakPolarHBondContact O-CA 3.44Å; T173-N177 PolarHBondContact O-N 3.45Å; T173-D180 HydrophobicContact CG2-CB 3.77Å; T173-I183 HydrophobicContact CG2-CD1 4.22Å; T173-I183 HydrophobicContact CG2-CG1 3.79Å
174	I	98.8	Very high	98.7	Very high	5 Å²	5	70.4 Å²	70.4	3%	0.026	34%	0.339	C	S	.	.	H	α-helix	trans	-59.3	-41.1	175	-70.9	164.3	0	0	0	111.1	V170 I171 P178 I183 F207 V209 L214 I243 T247 L249	V170-I174 HydrophobicContact CG1-CD1 3.73Å; V170-I174 VanDerWaalsContact O-CG1 3.27Å; V170-I174 WeakPolarHBondContact O-CG1 3.24Å; V170-I174 PolarHBondContact O-N 3.48Å; I171-I174 PolarHBondContact O-N 2.72Å; I174-P178 WeakPolarHBondContact O-CB 3.44Å; I174-I183 HydrophobicContact CD1-CG2 4.23Å; I174-I183 HydrophobicContact CG1-CD1 4.01Å; I174-I183 HydrophobicContact CG1-CG2 3.95Å; I174-F207 HydrophobicContact CD1-CB 4.37Å; I174-V209 HydrophobicContact CG1-CG2 4.32Å; I174-V209 HydrophobicContact CG2-CG2 4.05Å; I174-L214 HydrophobicContact CD1-CD1 3.68Å; I174-L214 HydrophobicContact CD1-CD2 4.27Å; I174-L214 HydrophobicContact CG1-CD1 4.22Å; I174-I243 HydrophobicContact CD1-CG2 3.53Å; I174-T247 HydrophobicContact CB-CG2 4.21Å; I174-T247 HydrophobicContact CG2-CG2 3.68Å; I174-L249 HydrophobicContact CG2-CD1 3.58Å
175	K	98.6	Very high	98.7	Very high	107 Å²	107	67.3 Å²	67.3	47%	0.465	32%	0.32	S	S	.	.	H	α-helix	trans	-71.6	-34.9	-179.8	-71.1	179.4	177.1	-175.3	0	113.4	I171 D172 T173 I246 T247	I171-K175 HydrophobicContact CG2-CD 4.36Å; I171-K175 WeakPolarHBondContact O-CG 3.38Å; I171-K175 PolarHBondContact O-N 2.85Å; I171-K175 VanDerWaalsContact O-N 3.1Å; D172-K175 PolarHBondContact O-N 2.94Å; T173-K175 VanDerWaalsContact C-N 3.28Å; T173-K175 PolarHBondContact O-N 2.84Å; K175-I246 WeakPolarHBondContact CE-O 3.48Å; K175-I246 PolarHBondContact NZ-O 3.14Å; K175-I246 VanDerWaalsContact NZ-O 3.13Å; K175-T247 HydrophobicContact CD-CG2 4.49Å; K175-T247 HydrophobicContact CG-CG2 3.89Å
176	T	98.7	Very high	98.6	Very high	116 Å²	116	66.3 Å²	66.3	71%	0.712	32%	0.317	S	S	*	.	H	α-helix	trans	-108.6	-28.1	-167.5	59.5	0	0	0	0	114.2	D172 T173	D172-T176 WeakPolarHBondContact O-CB 3.45Å; D172-T176 WeakPolarHBondContact O-CG2 3.48Å; D172-T176 PolarHBondContact O-N 2.99Å; D172-T176 PolarHBondContact O-OG1 3.07Å; T173-T176 PolarHBondContact O-N 3.22Å
177	N	98.6	Very high	98.6	Very high	76 Å²	76	65.3 Å²	65.3	41%	0.406	31%	0.312	S	S	.	.			trans	-144.6	64.2	-179.9	-169.1	23.7	0	0	0	110.9	T173 E179 D180	T173-N177 HydrophobicContact CG2-CB 4.32Å; T173-N177 CarbonylContact O-C 3.6Å; T173-N177 WeakPolarHBondContact O-CA 3.44Å; T173-N177 PolarHBondContact O-N 3.45Å; N177-E179 PolarHBondContact O-N 2.99Å; N177-E179 VanDerWaalsContact O-N 3.14Å; N177-D180 HydrophobicContact CB-CB 4.47Å; N177-D180 WeakPolarHBondContact ND2-CB 3.18Å; N177-D180 PolarHBondContact ND2-OD2 3.45Å; N177-D180 VanDerWaalsContact O-CB 3.26Å; N177-D180 WeakPolarHBondContact O-CB 3.5Å; N177-D180 PolarHBondContact O-N 3.25Å
178	P	98.4	Very high	98.6	Very high	51 Å²	51	69.6 Å²	69.6	33%	0.331	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-24.5	-172.5	22	-33.1	0	0	0	114.6	I174 D180 V209	I174-P178 WeakPolarHBondContact O-CB 3.44Å; P178-D180 PolarHBondContact O-N 2.89Å; P178-V209 HydrophobicContact CB-CB 3.85Å; P178-V209 HydrophobicContact CB-CG1 3.82Å; P178-V209 HydrophobicContact CB-CG2 4.07Å; P178-V209 WeakPolarHBondContact O-CB 3.09Å
179	E	97.9	Very high	98.6	Very high	168 Å²	168	67.1 Å²	67.1	79%	0.785	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-0.3	178.3	-59.1	-172.8	159.2	0	0	113.3	N177 R181	N177-E179 PolarHBondContact O-N 2.99Å; N177-E179 VanDerWaalsContact O-N 3.14Å; E179-R181 PolarHBondContact O-N 2.96Å
180	D	98.5	Very high	98.6	Very high	40 Å²	40	66.2 Å²	66.2	21%	0.214	32%	0.32	C	S	.	.			trans	-60.1	136.2	177.3	-156.7	-52.1	0	0	0	110.6	T173 N177 P178 R182 I183	T173-D180 HydrophobicContact CG2-CB 3.77Å; N177-D180 HydrophobicContact CB-CB 4.47Å; N177-D180 WeakPolarHBondContact ND2-CB 3.18Å; N177-D180 PolarHBondContact ND2-OD2 3.45Å; N177-D180 VanDerWaalsContact O-CB 3.26Å; N177-D180 WeakPolarHBondContact O-CB 3.5Å; N177-D180 PolarHBondContact O-N 3.25Å; P178-D180 PolarHBondContact O-N 2.89Å; D180-R182 VanDerWaalsContact C-N 3.32Å; D180-R182 WeakPolarHBondContact OD1-CA 3.26Å; D180-R182 WeakPolarHBondContact OD1-CB 3.05Å; D180-R182 VanDerWaalsContact OD1-CG 3.32Å; D180-R182 WeakPolarHBondContact OD1-CG 3.41Å; D180-R182 PolarHBondContact OD1-N 3.21Å; D180-I183 HydrophobicContact CB-CD1 4.34Å; D180-I183 HydrophobicContact CB-CG1 3.98Å; D180-I183 WeakPolarHBondContact O-CG1 3.21Å
181	R	98.3	Very high	98.6	Very high	218 Å²	218	72.7 Å²	72.7	82%	0.823	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	8.5	-179.3	-54	-178.6	-162.1	176.1	3.9	112.5	E179 Q206	E179-R181 PolarHBondContact O-N 2.96Å; R181-Q206 PolarHBondContact O-NE2 2.96Å
182	R	98.6	Very high	98.5	Very high	206 Å²	206	72.9 Å²	72.9	78%	0.777	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.6	14.6	-174.3	-52.3	169.9	-175.5	171.7	3.5	112.6	D180 I184	D180-R182 VanDerWaalsContact C-N 3.32Å; D180-R182 WeakPolarHBondContact OD1-CA 3.26Å; D180-R182 WeakPolarHBondContact OD1-CB 3.05Å; D180-R182 VanDerWaalsContact OD1-CG 3.32Å; D180-R182 WeakPolarHBondContact OD1-CG 3.41Å; D180-R182 PolarHBondContact OD1-N 3.21Å; R182-I184 VanDerWaalsContact C-N 3.28Å; R182-I184 PolarHBondContact O-N 2.88Å
183	I	98.8	Very high	98.5	Very high	2 Å²	2	71 Å²	71	1%	0.01	34%	0.338	C	S	.	.			trans	-71.4	85.7	177.7	-46	176.9	0	0	0	108.6	V170 T173 I174 D180 Q206 F207	V170-I183 HydrophobicContact CB-CG2 4.17Å; V170-I183 HydrophobicContact CG1-CG2 3.78Å; V170-I183 HydrophobicContact CG2-CG2 4.02Å; T173-I183 HydrophobicContact CG2-CD1 4.22Å; T173-I183 HydrophobicContact CG2-CG1 3.79Å; I174-I183 HydrophobicContact CD1-CG2 4.23Å; I174-I183 HydrophobicContact CG1-CD1 4.01Å; I174-I183 HydrophobicContact CG1-CG2 3.95Å; D180-I183 HydrophobicContact CB-CD1 4.34Å; D180-I183 HydrophobicContact CB-CG1 3.98Å; D180-I183 WeakPolarHBondContact O-CG1 3.21Å; I183-Q206 CarbonylContact O-C 3.58Å; I183-Q206 WeakPolarHBondContact O-CA 3.43Å; I183-F207 HydrophobicContact CB-CB 4.17Å; I183-F207 HydrophobicContact CG2-CB 3.75Å; I183-F207 HydrophobicContact CG2-CD2 4.17Å; I183-F207 HydrophobicContact CG2-CG 4.36Å; I183-F207 PolarHBondContact O-N 3.43Å
184	I	98.8	Very high	98.4	Very high	65 Å²	65	73.6 Å²	73.6	33%	0.333	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	143.3	-170.4	-66.8	175.1	0	0	0	109.5	R182 L204 C205 Q206	R182-I184 VanDerWaalsContact C-N 3.28Å; R182-I184 PolarHBondContact O-N 2.88Å; I184-L204 HydrophobicContact CG2-CD1 3.79Å; I184-L204 HydrophobicContact CG2-CD2 4.13Å; I184-L204 HydrophobicContact CG2-CG 3.8Å; I184-C205 WeakPolarHBondContact CA-O 3.39Å; I184-Q206 HydrophobicContact CG1-CB 4.07Å; I184-Q206 HydrophobicContact CG1-CG 3.98Å
185	M	98.3	Very high	98.4	Very high	2 Å²	2	77.9 Å²	77.9	1%	0.01	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	128.6	167.7	179.4	172.9	66.2	0	0	109.5	W145 Q166 L167 V170 L204 C205 L239	W145-M185 HydrophobicContact CB-SD 3.93Å; W145-M185 HydrophobicContact CD2-CE 3.54Å; W145-M185 HydrophobicContact CD2-SD 3.49Å; W145-M185 VanDerWaalsContact CE2-CE 3.43Å; W145-M185 HydrophobicContact CE3-CE 3.78Å; W145-M185 HydrophobicContact CE3-SD 3.93Å; W145-M185 HydrophobicContact CG-CE 4.14Å; W145-M185 HydrophobicContact CG-CG 4.17Å; W145-M185 HydrophobicContact CG-SD 3.48Å; W145-M185 HydrophobicContact CH2-CE 3.85Å; W145-M185 HydrophobicContact CZ2-CE 3.61Å; W145-M185 HydrophobicContact CZ3-CE 3.93Å; Q166-M185 HydrophobicContact CB-CG 4.01Å; L167-M185 HydrophobicContact CB-SD 4.14Å; L167-M185 HydrophobicContact CD1-SD 4.32Å; V170-M185 HydrophobicContact CG2-CB 4.21Å; M185-L204 WeakPolarHBondContact O-CA 3.46Å; M185-C205 PolarHBondContact N-O 3.1Å; M185-C205 PolarHBondContact O-N 2.89Å; M185-L239 HydrophobicContact CE-CD2 3.89Å
186	C	98.5	Very high	98.3	Very high	26 Å²	26	73.1 Å²	73.1	18%	0.176	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	125.6	-173.6	-171.7	0	0	0	0	111.6	Q166 W188 L204	Q166-C186 PolarHBondContact NE2-O 2.92Å; C186-W188 PolarHBondContact SG-N 2.88Å; C186-L204 HydrophobicContact CB-CD1 4.38Å
187	A	98.6	Very high	98.2	Very high	2 Å²	2	67.8 Å²	67.8	2%	0.017	32%	0.322	C	S	.	.			trans	-93.2	-13.9	173	0	0	0	0	0	112.6	Y141 Q144 N189 P200 A203	Y141-A187 HydrophobicContact CD1-CB 3.97Å; Q144-A187 HydrophobicContact CB-CB 4.38Å; A187-N189 PolarHBondContact O-N 3.41Å; A187-N189 VanDerWaalsContact O-N 3.1Å; A187-P200 HydrophobicContact CB-CB 3.92Å; A187-P200 HydrophobicContact CB-CG 4.02Å; A187-P200 WeakPolarHBondContact O-CG 3.31Å; A187-A203 PolarHBondContact N-O 3.36Å
188	W	98.6	Very high	97.9	Very high	91 Å²	91	65.4 Å²	65.4	35%	0.345	31%	0.31	S	S	.	.			trans	-81.7	90.5	-176.9	-166.6	-93	0	0	0	112	C186 P190 L193 P199 P200 A203 R221	C186-W188 PolarHBondContact SG-N 2.88Å; W188-P190 WeakPolarHBondContact O-CD 3.49Å; W188-L193 HydrophobicContact CD2-CD1 4.28Å; W188-L193 HydrophobicContact CD2-CD2 4.15Å; W188-L193 HydrophobicContact CE3-CD2 3.96Å; W188-L193 HydrophobicContact CH2-CD1 3.96Å; W188-L193 HydrophobicContact CH2-CD2 4.14Å; W188-L193 HydrophobicContact CZ2-CD1 3.47Å; W188-L193 VanDerWaalsContact CZ2-CD1 3.47Å; W188-L193 HydrophobicContact CZ2-CD2 4.34Å; W188-L193 HydrophobicContact CZ3-CD2 3.92Å; W188-P199 HydrophobicContact CH2-CB 4.36Å; W188-P199 HydrophobicContact CZ3-CB 4.03Å; W188-P200 HydrophobicContact CE3-CB 4.45Å; W188-A203 HydrophobicContact CB-CB 4.14Å; W188-A203 HydrophobicContact CE3-CB 4.48Å; W188-A203 PolarHBondContact N-O 3.47Å; W188-R221 VanDerWaalsContact CZ3-CD 3.41Å
189	N	98.5	Very high	97.8	Very high	10 Å²	10	65.1 Å²	65.1	5%	0.053	31%	0.308	C	S	.	.			trans	-106.1	103.6	177.7	-178.1	-14.6	0	0	0	111.2	Q144 Y148 A187 K191 D192 L193 M196	Q144-N189 VanDerWaalsContact OE1-CB 3.29Å; Q144-N189 PolarHBondContact OE1-ND2 3.44Å; Y148-N189 HydrophobicContact CD2-CB 4.5Å; Y148-N189 HydrophobicContact CE2-CB 3.66Å; A187-N189 PolarHBondContact O-N 3.41Å; A187-N189 VanDerWaalsContact O-N 3.1Å; N189-K191 PolarHBondContact O-N 3.26Å; N189-K191 VanDerWaalsContact O-N 3.12Å; N189-K191 WeakPolarHBondContact OD1-CB 3.5Å; N189-K191 PolarHBondContact OD1-N 3.4Å; N189-K191 VanDerWaalsContact OD1-N 3.14Å; N189-D192 HydrophobicContact CB-CB 4.2Å; N189-D192 PolarHBondContact ND2-OD2 2.95Å; N189-D192 PolarHBondContact O-N 3.43Å; N189-L193 WeakPolarHBondContact O-CG 3.48Å; N189-L193 PolarHBondContact O-N 2.61Å; N189-M196 HydrophobicContact CB-CE 4.5Å
190	P	98.5	Very high	97.7	Very high	90 Å²	90	57.1 Å²	57.1	58%	0.584	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-30.7	-176	-27.5	36	0	0	0	115.2	W188 D192	W188-P190 WeakPolarHBondContact O-CD 3.49Å; P190-D192 VanDerWaalsContact C-N 3.33Å
191	K	98.3	Very high	97.7	Very high	140 Å²	140	56.6 Å²	56.6	61%	0.609	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-38.1	177.6	-176.9	-172.3	171.8	-166.9	0	111.1	N189 P194	N189-K191 PolarHBondContact O-N 3.26Å; N189-K191 VanDerWaalsContact O-N 3.12Å; N189-K191 WeakPolarHBondContact OD1-CB 3.5Å; N189-K191 PolarHBondContact OD1-N 3.4Å; N189-K191 VanDerWaalsContact OD1-N 3.14Å; K191-P194 WeakPolarHBondContact O-CD 3.45Å
192	D	98.3	Very high	97.6	Very high	7 Å²	7	46.6 Å²	46.6	4%	0.037	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-15.6	-171	-66.3	-6.3	0	0	0	113.2	P139 Q144 N189 P190 P194 H195 M196	P139-D192 HydrophobicContact CB-CB 4.5Å; P139-D192 HydrophobicContact CG-CB 3.91Å; Q144-D192 PolarHBondContact NE2-OD2 2.88Å; N189-D192 HydrophobicContact CB-CB 4.2Å; N189-D192 PolarHBondContact ND2-OD2 2.95Å; N189-D192 PolarHBondContact O-N 3.43Å; P190-D192 VanDerWaalsContact C-N 3.33Å; D192-P194 VanDerWaalsContact C-N 3.31Å; D192-H195 WeakPolarHBondContact O-CA 3.45Å; D192-H195 WeakPolarHBondContact O-CB 3.35Å; D192-H195 PolarHBondContact O-N 2.88Å; D192-M196 HydrophobicContact CB-CE 3.59Å; D192-M196 WeakPolarHBondContact O-CG 3.3Å; D192-M196 PolarHBondContact O-N 2.91Å
193	L	98.1	Very high	97.6	Very high	34 Å²	34	37.1 Å²	37.1	18%	0.178	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-48.6	-43.9	179.4	-68.4	177.5	0	0	0	113.9	W188 N189 H195 M196 P199	W188-L193 HydrophobicContact CD2-CD1 4.28Å; W188-L193 HydrophobicContact CD2-CD2 4.15Å; W188-L193 HydrophobicContact CE3-CD2 3.96Å; W188-L193 HydrophobicContact CH2-CD1 3.96Å; W188-L193 HydrophobicContact CH2-CD2 4.14Å; W188-L193 HydrophobicContact CZ2-CD1 3.47Å; W188-L193 VanDerWaalsContact CZ2-CD1 3.47Å; W188-L193 HydrophobicContact CZ2-CD2 4.34Å; W188-L193 HydrophobicContact CZ3-CD2 3.92Å; N189-L193 WeakPolarHBondContact O-CG 3.48Å; N189-L193 PolarHBondContact O-N 2.61Å; L193-H195 PolarHBondContact O-N 3.01Å; L193-H195 VanDerWaalsContact O-N 3.16Å; L193-M196 HydrophobicContact CD2-CE 4.42Å; L193-M196 HydrophobicContact CD2-SD 4.29Å; L193-M196 PolarHBondContact O-N 2.87Å; L193-P199 HydrophobicContact CD2-CB 4.15Å
194	P	97.4	Very high	97.5	Very high	89 Å²	89	39.8 Å²	39.8	58%	0.578	21%	0.212	S	C	*	.	G	3₁₀ helix	trans	-65.6	-14.6	178.1	-21	35.3	0	0	0	114.1	F129 K191 D192	F129-P194 WeakPolarHBondContact CE1-O 3.32Å; F129-P194 VanDerWaalsContact CZ-O 3.29Å; F129-P194 WeakPolarHBondContact CZ-O 3.35Å; K191-P194 WeakPolarHBondContact O-CD 3.45Å; D192-P194 VanDerWaalsContact C-N 3.31Å
195	H	97.5	Very high	97.5	Very high	96 Å²	96	36.7 Å²	36.7	44%	0.444	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-100.3	-4.2	-178.7	-57.3	-65.1	0	0	0	113	R132 P139 D192 L193	R132-H195 PolarHBondContact NH1-O 2.77Å; R132-H195 PolarHBondContact NH2-O 3.38Å; P139-H195 WeakPolarHBondContact CD-O 3.3Å; P139-H195 HydrophobicContact CG-CB 4.05Å; D192-H195 WeakPolarHBondContact O-CA 3.45Å; D192-H195 WeakPolarHBondContact O-CB 3.35Å; D192-H195 PolarHBondContact O-N 2.88Å; L193-H195 PolarHBondContact O-N 3.01Å; L193-H195 VanDerWaalsContact O-N 3.16Å
196	M	98.1	Very high	97.6	Very high	7 Å²	7	40 Å²	40	3%	0.034	21%	0.211	C	C	.	.			trans	-90.7	137.6	-179.1	-60.9	-177.8	-162.1	0	0	111.2	P139 V140 Q144 N189 D192 L193 L198 P200	P139-M196 HydrophobicContact CG-CG 4.25Å; P139-M196 WeakPolarHBondContact O-CE 3.28Å; V140-M196 HydrophobicContact CG1-CB 4.11Å; V140-M196 HydrophobicContact CG1-CG 4.32Å; Q144-M196 HydrophobicContact CG-CE 4.02Å; N189-M196 HydrophobicContact CB-CE 4.5Å; D192-M196 HydrophobicContact CB-CE 3.59Å; D192-M196 WeakPolarHBondContact O-CG 3.3Å; D192-M196 PolarHBondContact O-N 2.91Å; L193-M196 HydrophobicContact CD2-CE 4.42Å; L193-M196 HydrophobicContact CD2-SD 4.29Å; L193-M196 PolarHBondContact O-N 2.87Å; M196-L198 PolarHBondContact O-N 2.94Å; M196-P200 VanDerWaalsContact SD-CD 3.51Å; M196-P200 HydrophobicContact SD-CG 3.85Å
197	A	95.4	Very high	97.6	Very high	3 Å²	3	38.8 Å²	38.8	3%	0.025	20%	0.203	C	C	.	.	S	Bend	trans	-58.5	-35.5	173.2	0	0	0	0	0	111.6	F123 L124 L137	F123-A197 WeakPolarHBondContact CE1-O 3.42Å; L124-A197 HydrophobicContact CD2-CB 4.19Å; L137-A197 HydrophobicContact CB-CB 4.33Å; L137-A197 HydrophobicContact CD2-CB 4.01Å; L137-A197 WeakPolarHBondContact O-CB 3.48Å; L137-A197 PolarHBondContact O-N 2.7Å
198	L	92.9	Very high	97.6	Very high	27 Å²	27	44.8 Å²	44.8	14%	0.141	23%	0.226	C	C	.	.	S	Bend	trans	-143.7	124.9	171.2	-173.1	67.8	0	0	0	109.9	W115 M196	W115-L198 HydrophobicContact CZ3-CB 4.31Å; M196-L198 PolarHBondContact O-N 2.94Å
199	P	95.4	Very high	97.6	Very high	45 Å²	45	41.2 Å²	41.2	29%	0.292	22%	0.215	S	C	.	.			trans	-56.3	140.1	174.1	-31	38.1	0	0	0	112.6	W188 L193 C201 R221	W188-P199 HydrophobicContact CH2-CB 4.36Å; W188-P199 HydrophobicContact CZ3-CB 4.03Å; L193-P199 HydrophobicContact CD2-CB 4.15Å; P199-C201 PolarHBondContact O-N 2.82Å; P199-R221 PolarHBondContact O-NH2 3.43Å
200	P	96.8	Very high	97.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.23	C	C	.	.			trans	-55.8	125.9	-174.5	-30.3	38.3	0	0	0	112.8	Y141 A187 W188 M196 R221	Y141-P200 HydrophobicContact CD1-CB 3.98Å; Y141-P200 HydrophobicContact CD1-CG 4.47Å; Y141-P200 HydrophobicContact CE1-CB 3.44Å; Y141-P200 VanDerWaalsContact CE1-CB 3.44Å; Y141-P200 HydrophobicContact CE1-CG 4.26Å; Y141-P200 WeakPolarHBondContact OH-CA 3.4Å; A187-P200 HydrophobicContact CB-CB 3.92Å; A187-P200 HydrophobicContact CB-CG 4.02Å; A187-P200 WeakPolarHBondContact O-CG 3.31Å; W188-P200 HydrophobicContact CE3-CB 4.45Å; M196-P200 VanDerWaalsContact SD-CD 3.51Å; M196-P200 HydrophobicContact SD-CG 3.85Å; P200-R221 PolarHBondContact O-NE 3.43Å; P200-R221 PolarHBondContact O-NH2 3.25Å
201	C	97.3	Very high	97.5	Very high	29 Å²	29	47 Å²	47	20%	0.196	24%	0.24	C	C	.	.	S	Bend	trans	-77.3	-49.1	173.1	-71.8	0	0	0	0	110.4	Y141 P199 A203 Q220 R221	Y141-C201 PolarHBondContact OH-N 3.4Å; P199-C201 PolarHBondContact O-N 2.82Å; C201-A203 PolarHBondContact O-N 3.37Å; C201-Q220 CarbonylContact O-C 3.54Å; C201-Q220 VanDerWaalsContact O-CA 3.25Å; C201-Q220 WeakPolarHBondContact O-CA 3.14Å; C201-Q220 WeakPolarHBondContact O-CG 3.24Å; C201-R221 WeakPolarHBondContact O-CG 3.43Å; C201-R221 PolarHBondContact O-N 2.81Å
202	H	97.6	Very high	97.5	Very high	7 Å²	7	42.3 Å²	42.3	3%	0.032	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	98.6	170.6	32.8	111	0	0	0	108.9	F97 Y141 L218 Y236	F97-H202 AromaticContact CE2-CE1 3.84Å; F97-H202 AromaticContact CZ-CE1 3.96Å; Y141-H202 AromaticContact CD1-CE1 3.32Å; Y141-H202 WeakPolarHBondContact CD1-CE1 3.37Å; Y141-H202 AromaticContact CD1-ND1 3.43Å; Y141-H202 WeakPolarHBondContact CD1-ND1 3.16Å; Y141-H202 AromaticContact CE1-CD2 3.73Å; Y141-H202 AromaticContact CE1-CE1 3.09Å; Y141-H202 WeakPolarHBondContact CE1-CE1 3.43Å; Y141-H202 AromaticContact CE1-CG 3.62Å; Y141-H202 AromaticContact CE1-ND1 3.23Å; Y141-H202 WeakPolarHBondContact CE1-ND1 3.47Å; Y141-H202 AromaticContact CE1-NE2 3.4Å; Y141-H202 WeakPolarHBondContact CE1-NE2 3.22Å; Y141-H202 AromaticContact CE2-CE1 3.98Å; Y141-H202 AromaticContact CE2-NE2 4Å; Y141-H202 AromaticContact CG-CE1 3.85Å; Y141-H202 AromaticContact CZ-CD2 3.9Å; Y141-H202 AromaticContact CZ-CE1 3.44Å; Y141-H202 VanDerWaalsContact CZ-CE1 3.44Å; Y141-H202 AromaticContact CZ-NE2 3.33Å; Y141-H202 VanDerWaalsContact CZ-NE2 3.33Å; Y141-H202 PolarHBondContact OH-NE2 3.13Å; H202-L218 HydrophobicContact CB-CD1 3.75Å; H202-L218 HydrophobicContact CB-CD2 4.26Å; H202-L218 HydrophobicContact CB-CG 4.5Å; H202-Y236 HydrophobicContact CB-CE2 3.78Å; H202-Y236 WeakPolarHBondContact CB-OH 3.34Å; H202-Y236 AromaticContact CG-CE2 3.76Å; H202-Y236 AromaticContact ND1-CE2 3.56Å; H202-Y236 AromaticContact ND1-CZ 3.67Å; H202-Y236 PolarHBondContact ND1-OH 3.37Å
203	A	96.9	Very high	97.6	Very high	7 Å²	7	43.7 Å²	43.7	6%	0.058	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	-39	-163.6	0	0	0	0	0	112.7	A187 W188 C201 Y219	A187-A203 PolarHBondContact N-O 3.36Å; W188-A203 HydrophobicContact CB-CB 4.14Å; W188-A203 HydrophobicContact CE3-CB 4.48Å; W188-A203 PolarHBondContact N-O 3.47Å; C201-A203 PolarHBondContact O-N 3.37Å; A203-Y219 HydrophobicContact CB-CD1 4.25Å; A203-Y219 PolarHBondContact N-O 2.75Å
204	L	98.4	Very high	97.6	Very high	58 Å²	58	42 Å²	42	30%	0.304	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	139.5	-174	-179.3	149.1	0	0	0	110	I184 M185 C186 L218 Y219	I184-L204 HydrophobicContact CG2-CD1 3.79Å; I184-L204 HydrophobicContact CG2-CD2 4.13Å; I184-L204 HydrophobicContact CG2-CG 3.8Å; M185-L204 WeakPolarHBondContact O-CA 3.46Å; C186-L204 HydrophobicContact CB-CD1 4.38Å; L204-L218 WeakPolarHBondContact O-CD1 3.36Å; L204-Y219 PolarHBondContact N-O 2.75Å; L204-Y219 PolarHBondContact O-N 2.91Å
205	C	98.7	Very high	97.7	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.007	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	146.6	166.1	64.2	0	0	0	0	111.2	I184 M185 Q217 L218 Y236	I184-C205 WeakPolarHBondContact CA-O 3.39Å; M185-C205 PolarHBondContact N-O 3.1Å; M185-C205 PolarHBondContact O-N 2.89Å; C205-Q217 CarbonylContact C-O 3.57Å; C205-Q217 WeakPolarHBondContact CA-O 3.5Å; C205-L218 HydrophobicContact CB-CD1 4.25Å; C205-Y236 HydrophobicContact CB-CD1 4.24Å; C205-Y236 HydrophobicContact CB-CE1 3.87Å
206	Q	98.9	Very high	97.7	Very high	70 Å²	70	33.9 Å²	33.9	33%	0.327	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	141.4	175.9	179	173.8	-1.7	0	0	109	R181 I183 I184 C216 Q217	R181-Q206 PolarHBondContact O-NE2 2.96Å; I183-Q206 CarbonylContact O-C 3.58Å; I183-Q206 WeakPolarHBondContact O-CA 3.43Å; I184-Q206 HydrophobicContact CG1-CB 4.07Å; I184-Q206 HydrophobicContact CG1-CG 3.98Å; Q206-C216 CarbonylContact O-C 3.57Å; Q206-C216 WeakPolarHBondContact O-CA 3.33Å; Q206-Q217 PolarHBondContact N-O 2.95Å; Q206-Q217 PolarHBondContact O-N 3.05Å
207	F	98.9	Very high	97.8	Very high	1 Å²	1	37.6 Å²	37.6	0%	0.004	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	153	175.8	-61.6	-88.2	0	0	0	111	V170 I174 I183 L214 S215 C216 L239 I243	V170-F207 HydrophobicContact CG1-CD2 3.58Å; V170-F207 HydrophobicContact CG1-CE2 3.71Å; V170-F207 HydrophobicContact CG1-CG 4.21Å; V170-F207 HydrophobicContact CG1-CZ 4.43Å; V170-F207 HydrophobicContact CG2-CD2 4.25Å; V170-F207 HydrophobicContact CG2-CE2 4.32Å; I174-F207 HydrophobicContact CD1-CB 4.37Å; I183-F207 HydrophobicContact CB-CB 4.17Å; I183-F207 HydrophobicContact CG2-CB 3.75Å; I183-F207 HydrophobicContact CG2-CD2 4.17Å; I183-F207 HydrophobicContact CG2-CG 4.36Å; I183-F207 PolarHBondContact O-N 3.43Å; F207-L214 HydrophobicContact CB-CD1 4.06Å; F207-L214 HydrophobicContact CD1-CD1 4.19Å; F207-L214 HydrophobicContact CD1-CD2 4.36Å; F207-L214 HydrophobicContact CD1-CG 4.37Å; F207-S215 WeakPolarHBondContact CA-O 3.5Å; F207-C216 HydrophobicContact CD1-CB 4.02Å; F207-C216 HydrophobicContact CE1-CB 3.93Å; F207-L239 HydrophobicContact CZ-CD2 4.18Å; F207-I243 HydrophobicContact CE1-CD1 3.81Å; F207-I243 HydrophobicContact CE2-CD1 4.46Å; F207-I243 HydrophobicContact CZ-CD1 3.69Å
208	Y	98.8	Very high	97.9	Very high	128 Å²	128	37.4 Å²	37.4	50%	0.502	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	128	-178.7	177.1	-112.2	0	0	0	109.6	I210 S215	Y208-I210 HydrophobicContact CD1-CB 4.43Å; Y208-I210 HydrophobicContact CD1-CG2 4.16Å; Y208-I210 HydrophobicContact CE1-CB 3.63Å; Y208-I210 HydrophobicContact CE1-CG1 4.43Å; Y208-I210 HydrophobicContact CE1-CG2 3.49Å; Y208-I210 VanDerWaalsContact CE1-CG2 3.49Å; Y208-S215 PolarHBondContact N-O 2.91Å; Y208-S215 PolarHBondContact O-N 2.89Å
209	V	98.9	Very high	98.2	Very high	17 Å²	17	40.7 Å²	40.7	10%	0.103	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	128.3	177.3	-174.8	0	0	0	0	109.3	I174 P178 E213 L214 L249	I174-V209 HydrophobicContact CG1-CG2 4.32Å; I174-V209 HydrophobicContact CG2-CG2 4.05Å; P178-V209 HydrophobicContact CB-CB 3.85Å; P178-V209 HydrophobicContact CB-CG1 3.82Å; P178-V209 HydrophobicContact CB-CG2 4.07Å; P178-V209 WeakPolarHBondContact O-CB 3.09Å; V209-E213 VanDerWaalsContact CA-O 3.3Å; V209-E213 WeakPolarHBondContact CA-O 3.43Å; V209-L214 HydrophobicContact CG2-CD1 3.76Å; V209-L249 HydrophobicContact CG1-CD1 3.83Å; V209-L249 HydrophobicContact CG1-CD2 4.18Å; V209-L249 HydrophobicContact CG2-CD1 3.9Å
210	I	98.3	Very high	98.4	Very high	72 Å²	72	38.7 Å²	38.7	37%	0.369	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	143.9	172.5	-164	64.6	0	0	0	109	Y208 G212 E213	Y208-I210 HydrophobicContact CD1-CB 4.43Å; Y208-I210 HydrophobicContact CD1-CG2 4.16Å; Y208-I210 HydrophobicContact CE1-CB 3.63Å; Y208-I210 HydrophobicContact CE1-CG1 4.43Å; Y208-I210 HydrophobicContact CE1-CG2 3.49Å; Y208-I210 VanDerWaalsContact CE1-CG2 3.49Å; I210-G212 PolarHBondContact O-N 3.41Å; I210-E213 PolarHBondContact N-O 2.75Å; I210-E213 VanDerWaalsContact N-O 3.09Å; I210-E213 WeakPolarHBondContact O-CA 3.32Å; I210-E213 WeakPolarHBondContact O-CB 3.23Å; I210-E213 PolarHBondContact O-N 2.84Å
211	D	97.3	Very high	98.4	Very high	150 Å²	150	42.1 Å²	42.1	80%	0.802	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.1	33.9	174	-58.7	-31.2	0	0	0	115.3	E213	D211-E213 VanDerWaalsContact C-N 3.28Å; D211-E213 PolarHBondContact O-N 2.76Å
212	G	98.3	Very high	98.4	Very high	40 Å²	40	42 Å²	42	41%	0.412	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.7	14.7	-178.2	0	0	0	0	0	114.5	I210 K250	I210-G212 PolarHBondContact O-N 3.41Å; G212-K250 PolarHBondContact O-N 3.01Å
213	E	98.8	Very high	98.5	Very high	36 Å²	36	41.6 Å²	41.6	17%	0.168	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	144.9	179.4	-61	-176.4	156.8	0	0	112.2	R74 V209 I210 D211 K250	R74-E213 WeakPolarHBondContact CD-OE1 3.33Å; R74-E213 IonicContact CZ-OE1 3.52Å; R74-E213 IonicContact CZ-OE2 2.94Å; R74-E213 VanDerWaalsContact NE-CD 3.29Å; R74-E213 IonicContact NE-OE1 2.76Å; R74-E213 PolarHBondContact NE-OE1 2.75Å; R74-E213 IonicContact NE-OE2 3.74Å; R74-E213 PolarHBondContact NE-OE2 3.35Å; R74-E213 IonicContact NH2-OE1 3.46Å; R74-E213 IonicContact NH2-OE2 3.4Å; R74-E213 PolarHBondContact NH2-OE2 2.7Å; V209-E213 VanDerWaalsContact CA-O 3.3Å; V209-E213 WeakPolarHBondContact CA-O 3.43Å; I210-E213 PolarHBondContact N-O 2.75Å; I210-E213 VanDerWaalsContact N-O 3.09Å; I210-E213 WeakPolarHBondContact O-CA 3.32Å; I210-E213 WeakPolarHBondContact O-CB 3.23Å; I210-E213 PolarHBondContact O-N 2.84Å; D211-E213 VanDerWaalsContact C-N 3.28Å; D211-E213 PolarHBondContact O-N 2.76Å; E213-K250 CarbonylContact C-O 3.52Å; E213-K250 WeakPolarHBondContact CA-O 3.18Å; E213-K250 HydrophobicContact CG-CB 4.14Å
214	L	98.9	Very high	98.5	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	121.7	175	-178	70.4	0	0	0	110.2	I174 F207 V209 T240 I243 A244 L249 K250 G252	I174-L214 HydrophobicContact CD1-CD1 3.68Å; I174-L214 HydrophobicContact CD1-CD2 4.27Å; I174-L214 HydrophobicContact CG1-CD1 4.22Å; F207-L214 HydrophobicContact CB-CD1 4.06Å; F207-L214 HydrophobicContact CD1-CD1 4.19Å; F207-L214 HydrophobicContact CD1-CD2 4.36Å; F207-L214 HydrophobicContact CD1-CG 4.37Å; V209-L214 HydrophobicContact CG2-CD1 3.76Å; L214-T240 HydrophobicContact CD2-CG2 4.36Å; L214-T240 HydrophobicContact CG-CG2 4.29Å; L214-T240 WeakPolarHBondContact O-CG2 3.31Å; L214-I243 HydrophobicContact CD2-CB 3.72Å; L214-I243 HydrophobicContact CD2-CG2 3.49Å; L214-I243 VanDerWaalsContact CD2-CG2 3.49Å; L214-A244 HydrophobicContact CB-CB 4.04Å; L214-A244 HydrophobicContact CD2-CB 4.08Å; L214-L249 HydrophobicContact CB-CB 4.32Å; L214-L249 HydrophobicContact CB-CD1 4.02Å; L214-L249 HydrophobicContact CD1-CD1 4.48Å; L214-K250 PolarHBondContact N-O 2.88Å; L214-G252 PolarHBondContact O-N 3.37Å
215	S	98.9	Very high	98.5	Very high	12 Å²	12	39.7 Å²	39.7	8%	0.084	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	155.5	172	-58.8	0	0	0	0	111.2	F207 Y208 D253	F207-S215 WeakPolarHBondContact CA-O 3.5Å; Y208-S215 PolarHBondContact N-O 2.91Å; Y208-S215 PolarHBondContact O-N 2.89Å; S215-D253 CarbonylContact C-O 3.58Å; S215-D253 WeakPolarHBondContact CA-O 3.15Å; S215-D253 VanDerWaalsContact CB-O 3.28Å; S215-D253 WeakPolarHBondContact CB-O 3.5Å; S215-D253 PolarHBondContact OG-N 3.29Å
216	C	98.9	Very high	98.4	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.014	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	132	176.8	-178.9	0	0	0	0	110.6	Q206 F207 T240 D253 F254 V255	Q206-C216 CarbonylContact O-C 3.57Å; Q206-C216 WeakPolarHBondContact O-CA 3.33Å; F207-C216 HydrophobicContact CD1-CB 4.02Å; F207-C216 HydrophobicContact CE1-CB 3.93Å; C216-T240 HydrophobicContact CB-CG2 4.18Å; C216-T240 WeakPolarHBondContact CB-OG1 3.38Å; C216-D253 PolarHBondContact N-O 3.18Å; C216-F254 HydrophobicContact CB-CD2 4.35Å; C216-F254 CarbonylContact O-C 3.58Å; C216-F254 WeakPolarHBondContact O-CA 3.46Å; C216-V255 PolarHBondContact O-N 2.85Å
217	Q	98.8	Very high	98.2	Very high	84 Å²	84	38.3 Å²	38.3	39%	0.393	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	122.3	168.4	179.7	170.9	-23.3	0	0	110.1	C205 Q206 V255	C205-Q217 CarbonylContact C-O 3.57Å; C205-Q217 WeakPolarHBondContact CA-O 3.5Å; Q206-Q217 PolarHBondContact N-O 2.95Å; Q206-Q217 PolarHBondContact O-N 3.05Å; Q217-V255 CarbonylContact C-O 3.58Å; Q217-V255 VanDerWaalsContact CA-O 3.31Å; Q217-V255 WeakPolarHBondContact CA-O 3.49Å; Q217-V255 HydrophobicContact CB-CB 4.04Å; Q217-V255 HydrophobicContact CG-CB 3.97Å; Q217-V255 HydrophobicContact CG-CG1 3.99Å
218	L	98.9	Very high	98.1	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	130.9	176	175.5	61.6	0	0	0	110.8	H202 L204 C205 Q220 Y236 F254 V255 T257	H202-L218 HydrophobicContact CB-CD1 3.75Å; H202-L218 HydrophobicContact CB-CD2 4.26Å; H202-L218 HydrophobicContact CB-CG 4.5Å; L204-L218 WeakPolarHBondContact O-CD1 3.36Å; C205-L218 HydrophobicContact CB-CD1 4.25Å; L218-Q220 HydrophobicContact CG-CB 4.44Å; L218-Y236 HydrophobicContact CB-CD1 4.46Å; L218-Y236 HydrophobicContact CD1-CD1 4.08Å; L218-Y236 HydrophobicContact CD1-CD2 4.39Å; L218-Y236 HydrophobicContact CD1-CE1 3.68Å; L218-Y236 HydrophobicContact CD1-CE2 4Å; L218-Y236 HydrophobicContact CD1-CG 4.41Å; L218-Y236 HydrophobicContact CD2-CD1 4.28Å; L218-Y236 HydrophobicContact CD2-CD2 3.53Å; L218-Y236 HydrophobicContact CD2-CE1 4.49Å; L218-Y236 HydrophobicContact CD2-CE2 3.76Å; L218-Y236 HydrophobicContact CD2-CG 3.79Å; L218-Y236 HydrophobicContact CG-CG 4.49Å; L218-F254 HydrophobicContact CB-CE2 3.76Å; L218-F254 HydrophobicContact CB-CZ 4.08Å; L218-F254 HydrophobicContact CD2-CE2 4.45Å; L218-F254 HydrophobicContact CD2-CZ 4.13Å; L218-V255 PolarHBondContact N-O 3.27Å; L218-T257 WeakPolarHBondContact O-CA 3.14Å; L218-T257 WeakPolarHBondContact O-CB 3.3Å; L218-T257 PolarHBondContact O-N 3.23Å
219	Y	98.8	Very high	98.1	Very high	96 Å²	96	33.3 Å²	33.3	38%	0.376	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	116.1	160.6	179.8	-101.5	0	0	0	110.5	A203 L204 R221 T257	A203-Y219 HydrophobicContact CB-CD1 4.25Å; A203-Y219 PolarHBondContact N-O 2.75Å; L204-Y219 PolarHBondContact N-O 2.75Å; L204-Y219 PolarHBondContact O-N 2.91Å; Y219-R221 HydrophobicContact CE1-CB 4.17Å; Y219-T257 HydrophobicContact CD2-CG2 3.93Å; Y219-T257 HydrophobicContact CE2-CG2 4.46Å
220	Q	98.8	Very high	98.1	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.009	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	112.6	176.5	167	166.7	4.7	0	0	109.7	C201 L218 S222 N232 H256 T257 L258 G259	C201-Q220 CarbonylContact O-C 3.54Å; C201-Q220 VanDerWaalsContact O-CA 3.25Å; C201-Q220 WeakPolarHBondContact O-CA 3.14Å; C201-Q220 WeakPolarHBondContact O-CG 3.24Å; L218-Q220 HydrophobicContact CG-CB 4.44Å; Q220-S222 WeakPolarHBondContact CG-O 3.46Å; Q220-S222 PolarHBondContact NE2-O 3.43Å; Q220-S222 PolarHBondContact O-N 2.85Å; Q220-N232 PolarHBondContact NE2-OD1 2.66Å; Q220-N232 PolarHBondContact OE1-OD1 2.97Å; Q220-H256 PolarHBondContact OE1-CE1 3.1Å; Q220-H256 VanDerWaalsContact OE1-CE1 3.27Å; Q220-H256 PolarHBondContact OE1-NE2 2.9Å; Q220-T257 PolarHBondContact N-O 3.28Å; Q220-L258 HydrophobicContact CB-CD2 3.89Å; Q220-L258 HydrophobicContact CG-CD2 3.86Å; Q220-L258 CarbonylContact O-C 3.33Å; Q220-L258 WeakPolarHBondContact O-CA 3.49Å; Q220-G259 PolarHBondContact O-N 3.22Å
221	R	98.1	Very high	98	Very high	73 Å²	73	31.3 Å²	31.3	28%	0.275	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	-25.6	-174.8	61.8	160.3	-172.7	87.3	6.1	113.5	W188 P199 P200 C201 Y219 D260	W188-R221 VanDerWaalsContact CZ3-CD 3.41Å; P199-R221 PolarHBondContact O-NH2 3.43Å; P200-R221 PolarHBondContact O-NE 3.43Å; P200-R221 PolarHBondContact O-NH2 3.25Å; C201-R221 WeakPolarHBondContact O-CG 3.43Å; C201-R221 PolarHBondContact O-N 2.81Å; Y219-R221 HydrophobicContact CE1-CB 4.17Å; R221-D260 PolarHBondContact O-N 3.06Å
222	S	97.5	Very high	98.1	Very high	25 Å²	25	24.8 Å²	24.8	18%	0.175	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	117.1	-176.2	-169.6	0	0	0	0	109.4	Q220 D260 H262	Q220-S222 WeakPolarHBondContact CG-O 3.46Å; Q220-S222 PolarHBondContact NE2-O 3.43Å; Q220-S222 PolarHBondContact O-N 2.85Å; S222-D260 WeakPolarHBondContact CA-O 3.43Å; S222-H262 PolarHBondContact OG-CE1 2.89Å
223	G	97.8	Very high	98.1	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	103.8	-175.4	0	0	0	0	0	111.7	M225 D260 H262	G223-M225 PolarHBondContact O-N 3.49Å; G223-D260 PolarHBondContact N-O 2.97Å; G223-H262 PolarHBondContact O-CE1 3.13Å; G223-H262 PolarHBondContact O-N 2.88Å; G223-H262 PolarHBondContact O-ND1 2.97Å
224	D	97.6	Very high	98.1	Very high	25 Å²	25	21.2 Å²	21.2	13%	0.134	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	106.1	165.5	171.1	7.8	0	0	0	108.6	G226 L227 G228 V229 H262 Y264 H267	D224-G226 PolarHBondContact O-N 3.29Å; D224-G226 WeakPolarHBondContact OD1-CA 3.46Å; D224-G226 PolarHBondContact OD1-N 2.9Å; D224-L227 PolarHBondContact OD1-N 3.3Å; D224-L227 WeakPolarHBondContact OD2-CB 3.4Å; D224-G228 CarbonylContact O-C 3.49Å; D224-G228 WeakPolarHBondContact O-CA 3.2Å; D224-G228 PolarHBondContact O-N 3.34Å; D224-V229 WeakPolarHBondContact O-CG2 3.18Å; D224-V229 PolarHBondContact O-N 3.36Å; D224-H262 PolarHBondContact N-CE1 2.86Å; D224-Y264 HydrophobicContact CB-CD2 4.47Å; D224-Y264 HydrophobicContact CB-CE2 4.13Å; D224-H267 IonicContact OD1-ND1 2.61Å; D224-H267 IonicContact OD2-CE1 2.84Å
225	M	98.1	Very high	98.1	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-25.3	-177.5	-61.7	-58.5	-64.7	0	0	112.7	Y39 Q42 I46 G223 V229 L258 A261 H262 I263	Y39-M225 HydrophobicContact CD2-CE 3.84Å; Y39-M225 HydrophobicContact CE2-CE 3.92Å; Y39-M225 VanDerWaalsContact CE2-O 3.3Å; Y39-M225 WeakPolarHBondContact CE2-O 3.25Å; Y39-M225 PolarHBondContact OH-O 2.82Å; Q42-M225 HydrophobicContact CB-CE 3.7Å; I46-M225 HydrophobicContact CD1-CG 3.55Å; I46-M225 HydrophobicContact CD1-SD 4.22Å; G223-M225 PolarHBondContact O-N 3.49Å; M225-V229 HydrophobicContact CE-CG1 4.34Å; M225-V229 HydrophobicContact SD-CB 4.21Å; M225-V229 HydrophobicContact SD-CG1 4.24Å; M225-V229 HydrophobicContact SD-CG2 3.76Å; M225-L258 HydrophobicContact SD-CD1 3.62Å; M225-A261 HydrophobicContact SD-CB 4.36Å; M225-H262 WeakPolarHBondContact CB-O 3.2Å; M225-H262 WeakPolarHBondContact CG-O 3.39Å; M225-H262 PolarHBondContact N-O 3.41Å; M225-I263 HydrophobicContact CB-CG1 3.88Å; M225-I263 HydrophobicContact CG-CG1 4.3Å
226	G	97.1	Very high	98.1	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-50.4	-177.8	0	0	0	0	0	112.5	K83 D224	K83-G226 PolarHBondContact NZ-O 2.75Å; D224-G226 PolarHBondContact O-N 3.29Å; D224-G226 WeakPolarHBondContact OD1-CA 3.46Å; D224-G226 PolarHBondContact OD1-N 2.9Å
227	L	95.5	Very high	98.1	Very high	42 Å²	42	20.8 Å²	20.8	22%	0.22	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.9	-53.9	-175.2	-67	169.8	0	0	0	113.2	D224 P230 F231 M315 M317	D224-L227 PolarHBondContact OD1-N 3.3Å; D224-L227 WeakPolarHBondContact OD2-CB 3.4Å; L227-P230 WeakPolarHBondContact O-CD 3.41Å; L227-F231 WeakPolarHBondContact O-CD2 3.3Å; L227-M315 HydrophobicContact CD1-CB 4.26Å; L227-M315 HydrophobicContact CD2-CB 3.86Å; L227-M315 HydrophobicContact CG-CB 4.03Å; L227-M317 HydrophobicContact CD1-CB 4.35Å; L227-M317 HydrophobicContact CD1-CG 3.57Å
228	G	96.6	Very high	98.1	Very high	23 Å²	23	16.8 Å²	16.8	24%	0.237	8%	0.083	C	C	.	.	H	α-helix	trans	-65.4	-55.3	-170.1	0	0	0	0	0	114.7	D224 F231 N232	D224-G228 CarbonylContact O-C 3.49Å; D224-G228 WeakPolarHBondContact O-CA 3.2Å; D224-G228 PolarHBondContact O-N 3.34Å; G228-F231 WeakPolarHBondContact O-CA 3.46Å; G228-F231 WeakPolarHBondContact O-CB 3.47Å; G228-F231 PolarHBondContact O-N 3.01Å; G228-N232 VanDerWaalsContact O-CG 3.28Å; G228-N232 PolarHBondContact O-N 3Å; G228-N232 PolarHBondContact O-OD1 2.87Å
229	V	98.4	Very high	98.1	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.006	8%	0.083	C	C	.	.	H	α-helix	trans	-56	-44.6	-173.5	168.3	0	0	0	0	113.2	Y39 D224 M225 F231 N232 I233 L258	Y39-V229 HydrophobicContact CD2-CG1 4Å; Y39-V229 HydrophobicContact CE2-CG1 4.16Å; D224-V229 WeakPolarHBondContact O-CG2 3.18Å; D224-V229 PolarHBondContact O-N 3.36Å; M225-V229 HydrophobicContact CE-CG1 4.34Å; M225-V229 HydrophobicContact SD-CB 4.21Å; M225-V229 HydrophobicContact SD-CG1 4.24Å; M225-V229 HydrophobicContact SD-CG2 3.76Å; V229-F231 VanDerWaalsContact C-N 3.29Å; V229-F231 PolarHBondContact O-N 3.09Å; V229-N232 PolarHBondContact O-N 2.98Å; V229-N232 VanDerWaalsContact O-N 3.11Å; V229-I233 HydrophobicContact CG1-CD1 3.77Å; V229-I233 HydrophobicContact CG1-CG1 4.22Å; V229-I233 VanDerWaalsContact O-CG1 3.32Å; V229-I233 WeakPolarHBondContact O-CG1 3.47Å; V229-I233 PolarHBondContact O-N 3.06Å; V229-L258 HydrophobicContact CG2-CD1 4.11Å; V229-L258 HydrophobicContact CG2-CD2 4.12Å
230	P	98.3	Very high	98.1	Very high	3 Å²	3	12.2 Å²	12.2	2%	0.019	7%	0.065	C	C	.	.	H	α-helix	trans	-54.1	-39.6	172.1	-28	34.3	0	0	0	114.7	Y39 L80 V85 L227	Y39-P230 HydrophobicContact CE2-CG 3.94Å; L80-P230 HydrophobicContact CD1-CB 3.67Å; L80-P230 HydrophobicContact CD1-CG 3.68Å; L80-P230 HydrophobicContact CG-CB 4.27Å; V85-P230 HydrophobicContact CG2-CB 4.39Å; L227-P230 WeakPolarHBondContact O-CD 3.41Å
231	F	97.8	Very high	98.1	Very high	43 Å²	43	13.3 Å²	13.3	19%	0.189	7%	0.069	C	C	.	.	H	α-helix	trans	-69.5	-43.2	175	-84.8	-107.5	0	0	0	111.1	F86 I90 L227 G228 V229 I233 A234 S235	F86-F231 HydrophobicContact CB-CE1 4.31Å; F86-F231 HydrophobicContact CB-CZ 3.82Å; F86-F231 HydrophobicContact CD1-CE1 4.46Å; F86-F231 HydrophobicContact CD1-CZ 4.43Å; I90-F231 HydrophobicContact CD1-CD1 4.14Å; I90-F231 HydrophobicContact CD1-CG 4.44Å; I90-F231 HydrophobicContact CG1-CB 4.28Å; I90-F231 HydrophobicContact CG1-CD1 3.32Å; I90-F231 HydrophobicContact CG1-CE1 3.87Å; I90-F231 HydrophobicContact CG1-CG 3.97Å; L227-F231 WeakPolarHBondContact O-CD2 3.3Å; G228-F231 WeakPolarHBondContact O-CA 3.46Å; G228-F231 WeakPolarHBondContact O-CB 3.47Å; G228-F231 PolarHBondContact O-N 3.01Å; V229-F231 VanDerWaalsContact C-N 3.29Å; V229-F231 PolarHBondContact O-N 3.09Å; F231-I233 PolarHBondContact O-N 3.43Å; F231-A234 PolarHBondContact O-N 3.01Å; F231-S235 VanDerWaalsContact O-CB 3.28Å; F231-S235 WeakPolarHBondContact O-CB 3.12Å; F231-S235 PolarHBondContact O-N 2.75Å
232	N	98.4	Very high	98.1	Very high	14 Å²	14	9.8 Å²	9.8	8%	0.075	6%	0.056	C	C	.	.	H	α-helix	trans	-66.4	-37.1	-177.3	-57.9	131.2	0	0	0	112.6	Q220 G228 V229 S235 Y236	Q220-N232 PolarHBondContact NE2-OD1 2.66Å; Q220-N232 PolarHBondContact OE1-OD1 2.97Å; G228-N232 VanDerWaalsContact O-CG 3.28Å; G228-N232 PolarHBondContact O-N 3Å; G228-N232 PolarHBondContact O-OD1 2.87Å; V229-N232 PolarHBondContact O-N 2.98Å; V229-N232 VanDerWaalsContact O-N 3.11Å; N232-S235 PolarHBondContact O-N 3.46Å; N232-Y236 PolarHBondContact O-N 3.1Å; N232-Y236 VanDerWaalsContact O-N 3.07Å
233	I	98.6	Very high	98.2	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-58.6	-52.9	175.1	-67.3	161.2	0	0	0	110.3	Y39 Y71 P78 V229 F231 A237 F254	Y39-I233 HydrophobicContact CD2-CD1 4.4Å; Y71-I233 HydrophobicContact CD2-CG2 4.24Å; Y71-I233 HydrophobicContact CE1-CG2 4.45Å; Y71-I233 HydrophobicContact CE2-CD1 4.23Å; Y71-I233 HydrophobicContact CE2-CG1 4.1Å; Y71-I233 HydrophobicContact CE2-CG2 4.06Å; Y71-I233 WeakPolarHBondContact OH-CD1 3.46Å; P78-I233 HydrophobicContact CB-CG2 3.81Å; P78-I233 HydrophobicContact CG-CG2 3.94Å; P78-I233 WeakPolarHBondContact O-CG2 3.44Å; V229-I233 HydrophobicContact CG1-CD1 3.77Å; V229-I233 HydrophobicContact CG1-CG1 4.22Å; V229-I233 VanDerWaalsContact O-CG1 3.32Å; V229-I233 WeakPolarHBondContact O-CG1 3.47Å; V229-I233 PolarHBondContact O-N 3.06Å; F231-I233 PolarHBondContact O-N 3.43Å; I233-A237 WeakPolarHBondContact O-CB 3.39Å; I233-A237 PolarHBondContact O-N 3.02Å; I233-F254 HydrophobicContact CB-CE1 4.2Å; I233-F254 HydrophobicContact CG1-CE1 4.25Å; I233-F254 HydrophobicContact CG2-CD1 4.26Å; I233-F254 HydrophobicContact CG2-CE1 4.12Å
234	A	98.6	Very high	98.2	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-67.2	-38.4	-179.1	0	0	0	0	0	112.3	F77 L79 I90 F231 L238	F77-A234 HydrophobicContact CE1-CB 4.11Å; F77-A234 HydrophobicContact CZ-CB 4.05Å; F77-A234 WeakPolarHBondContact CZ-O 3.14Å; L79-A234 HydrophobicContact CD1-CB 3.9Å; I90-A234 HydrophobicContact CD1-CB 3.68Å; I90-A234 HydrophobicContact CG2-CB 4.14Å; F231-A234 PolarHBondContact O-N 3.01Å; A234-L238 VanDerWaalsContact O-CB 3.23Å; A234-L238 WeakPolarHBondContact O-CB 3.24Å; A234-L238 PolarHBondContact O-N 3.41Å
235	S	98.8	Very high	98.3	Very high	2 Å²	2	9.9 Å²	9.9	1%	0.014	5%	0.053	C	C	.	.	H	α-helix	trans	-63.1	-49.2	-179.6	-176	0	0	0	0	112.3	F231 N232 L238 L239	F231-S235 VanDerWaalsContact O-CB 3.28Å; F231-S235 WeakPolarHBondContact O-CB 3.12Å; F231-S235 PolarHBondContact O-N 2.75Å; N232-S235 PolarHBondContact O-N 3.46Å; S235-L238 WeakPolarHBondContact O-CB 3.42Å; S235-L238 PolarHBondContact O-N 3.05Å; S235-L239 PolarHBondContact O-N 3.02Å
236	Y	98.9	Very high	98.3	Very high	4 Å²	4	10.5 Å²	10.5	2%	0.016	6%	0.056	C	C	.	.	H	α-helix	trans	-78.8	-27	-179.4	-81.6	-96.2	0	0	0	113.3	W145 H202 C205 L218 N232 L238 L239 T240 F254	W145-Y236 HydrophobicContact CZ2-CE1 4.45Å; H202-Y236 HydrophobicContact CB-CE2 3.78Å; H202-Y236 WeakPolarHBondContact CB-OH 3.34Å; H202-Y236 AromaticContact CG-CE2 3.76Å; H202-Y236 AromaticContact ND1-CE2 3.56Å; H202-Y236 AromaticContact ND1-CZ 3.67Å; H202-Y236 PolarHBondContact ND1-OH 3.37Å; C205-Y236 HydrophobicContact CB-CD1 4.24Å; C205-Y236 HydrophobicContact CB-CE1 3.87Å; L218-Y236 HydrophobicContact CB-CD1 4.46Å; L218-Y236 HydrophobicContact CD1-CD1 4.08Å; L218-Y236 HydrophobicContact CD1-CD2 4.39Å; L218-Y236 HydrophobicContact CD1-CE1 3.68Å; L218-Y236 HydrophobicContact CD1-CE2 4Å; L218-Y236 HydrophobicContact CD1-CG 4.41Å; L218-Y236 HydrophobicContact CD2-CD1 4.28Å; L218-Y236 HydrophobicContact CD2-CD2 3.53Å; L218-Y236 HydrophobicContact CD2-CE1 4.49Å; L218-Y236 HydrophobicContact CD2-CE2 3.76Å; L218-Y236 HydrophobicContact CD2-CG 3.79Å; L218-Y236 HydrophobicContact CG-CG 4.49Å; N232-Y236 PolarHBondContact O-N 3.1Å; N232-Y236 VanDerWaalsContact O-N 3.07Å; Y236-L238 VanDerWaalsContact C-N 3.34Å; Y236-L239 HydrophobicContact CD1-CD2 4.21Å; Y236-L239 HydrophobicContact CE1-CD2 4.29Å; Y236-T240 PolarHBondContact O-N 2.88Å; Y236-T240 PolarHBondContact O-OG1 3.29Å; Y236-F254 HydrophobicContact CG-CE2 4.32Å
237	A	98.8	Very high	98.4	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-59.4	-48.4	164.3	0	0	0	0	0	110.3	L73 F77 P78 I233 L239 T240 Y241	L73-A237 HydrophobicContact CD2-CB 3.78Å; F77-A237 HydrophobicContact CD2-CB 4.36Å; F77-A237 HydrophobicContact CE2-CB 3.83Å; F77-A237 HydrophobicContact CZ-CB 4.48Å; P78-A237 HydrophobicContact CG-CB 3.62Å; I233-A237 WeakPolarHBondContact O-CB 3.39Å; I233-A237 PolarHBondContact O-N 3.02Å; A237-L239 PolarHBondContact O-N 2.72Å; A237-T240 WeakPolarHBondContact O-CB 3.45Å; A237-T240 PolarHBondContact O-N 3.47Å; A237-T240 VanDerWaalsContact O-N 3.12Å; A237-Y241 WeakPolarHBondContact O-CD2 3.26Å; A237-Y241 PolarHBondContact O-N 2.75Å
238	L	98.9	Very high	98.5	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-60.7	-44.9	178.8	179	60.6	0	0	0	112.3	F77 W87 L91 L94 A234 S235 Y236 T240 Y241 M242 L285 F302	F77-L238 HydrophobicContact CE2-CB 4.13Å; F77-L238 HydrophobicContact CZ-CB 4.17Å; W87-L238 HydrophobicContact CH2-CD1 3.95Å; W87-L238 HydrophobicContact CH2-CD2 3.74Å; W87-L238 HydrophobicContact CH2-CG 4.36Å; W87-L238 HydrophobicContact CZ3-CD2 4.18Å; L91-L238 HydrophobicContact CB-CD2 4.47Å; L91-L238 HydrophobicContact CD1-CD2 3.77Å; L94-L238 HydrophobicContact CD2-CB 3.87Å; L94-L238 HydrophobicContact CD2-CD2 3.63Å; L94-L238 HydrophobicContact CD2-CG 3.58Å; A234-L238 VanDerWaalsContact O-CB 3.23Å; A234-L238 WeakPolarHBondContact O-CB 3.24Å; A234-L238 PolarHBondContact O-N 3.41Å; S235-L238 WeakPolarHBondContact O-CB 3.42Å; S235-L238 PolarHBondContact O-N 3.05Å; Y236-L238 VanDerWaalsContact C-N 3.34Å; L238-T240 PolarHBondContact O-N 2.87Å; L238-Y241 WeakPolarHBondContact O-CB 3.4Å; L238-Y241 PolarHBondContact O-N 3.28Å; L238-Y241 VanDerWaalsContact O-N 3.12Å; L238-M242 HydrophobicContact CD1-CG 4.34Å; L238-M242 HydrophobicContact CD1-SD 4.45Å; L238-M242 HydrophobicContact CG-CG 4.47Å; L238-M242 HydrophobicContact CG-SD 4.06Å; L238-M242 VanDerWaalsContact O-CG 3.31Å; L238-M242 WeakPolarHBondContact O-CG 3.41Å; L238-M242 PolarHBondContact O-N 3.14Å; L238-L285 HydrophobicContact CD1-CD2 3.59Å; L238-F302 HydrophobicContact CD1-CD1 3.64Å; L238-F302 HydrophobicContact CD1-CE1 3.49Å; L238-F302 VanDerWaalsContact CD1-CE1 3.49Å; L238-F302 HydrophobicContact CD1-CZ 4.39Å; L238-F302 HydrophobicContact CG-CE1 4.5Å
239	L	98.9	Very high	98.6	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-56.7	-42	174.5	-179.5	62.1	0	0	0	111.5	L94 I98 W145 M185 F207 S235 Y236 A237 M242 I243	L94-L239 HydrophobicContact CD1-CB 4.18Å; L94-L239 HydrophobicContact CD1-CD1 4.34Å; L94-L239 HydrophobicContact CD2-CB 4.09Å; I98-L239 HydrophobicContact CD1-CD1 4.37Å; W145-L239 HydrophobicContact CH2-CD2 3.88Å; W145-L239 HydrophobicContact CZ3-CD1 4.44Å; W145-L239 HydrophobicContact CZ3-CD2 4.14Å; M185-L239 HydrophobicContact CE-CD2 3.89Å; F207-L239 HydrophobicContact CZ-CD2 4.18Å; S235-L239 PolarHBondContact O-N 3.02Å; Y236-L239 HydrophobicContact CD1-CD2 4.21Å; Y236-L239 HydrophobicContact CE1-CD2 4.29Å; A237-L239 PolarHBondContact O-N 2.72Å; L239-M242 PolarHBondContact O-N 3.15Å; L239-I243 HydrophobicContact CD1-CD1 3.85Å; L239-I243 HydrophobicContact CD1-CG1 4.17Å; L239-I243 HydrophobicContact CG-CD1 3.95Å; L239-I243 WeakPolarHBondContact O-CG1 3.36Å; L239-I243 PolarHBondContact O-N 3.39Å
240	T	98.9	Very high	98.6	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-62.8	-43.8	177	-51.8	0	0	0	0	111.2	L73 L214 C216 Y236 A237 L238 A244	L73-T240 HydrophobicContact CD1-CG2 3.75Å; L214-T240 HydrophobicContact CD2-CG2 4.36Å; L214-T240 HydrophobicContact CG-CG2 4.29Å; L214-T240 WeakPolarHBondContact O-CG2 3.31Å; C216-T240 HydrophobicContact CB-CG2 4.18Å; C216-T240 WeakPolarHBondContact CB-OG1 3.38Å; Y236-T240 PolarHBondContact O-N 2.88Å; Y236-T240 PolarHBondContact O-OG1 3.29Å; A237-T240 WeakPolarHBondContact O-CB 3.45Å; A237-T240 PolarHBondContact O-N 3.47Å; A237-T240 VanDerWaalsContact O-N 3.12Å; L238-T240 PolarHBondContact O-N 2.87Å; T240-A244 WeakPolarHBondContact O-CB 3.47Å; T240-A244 PolarHBondContact O-N 3.03Å
241	Y	98.7	Very high	98.6	Very high	24 Å²	24	21.9 Å²	21.9	9%	0.094	12%	0.124	C	C	.	.	H	α-helix	trans	-59.5	-45.3	173.8	-92.1	-101.8	0	0	0	112.2	L73 Q76 F77 A237 L238 H245 P251 L285	L73-Y241 HydrophobicContact CB-CE2 3.79Å; L73-Y241 HydrophobicContact CD1-CD2 4.26Å; L73-Y241 HydrophobicContact CD1-CE2 4.24Å; L73-Y241 HydrophobicContact CD2-CE2 4.3Å; L73-Y241 HydrophobicContact CG-CE2 4.34Å; L73-Y241 PolarHBondContact O-OH 3.29Å; Q76-Y241 PolarHBondContact O-OH 2.9Å; F77-Y241 HydrophobicContact CD2-CD2 4.26Å; F77-Y241 AromaticContact CD2-CE2 3.92Å; F77-Y241 HydrophobicContact CD2-CE2 3.92Å; A237-Y241 WeakPolarHBondContact O-CD2 3.26Å; A237-Y241 PolarHBondContact O-N 2.75Å; L238-Y241 WeakPolarHBondContact O-CB 3.4Å; L238-Y241 PolarHBondContact O-N 3.28Å; L238-Y241 VanDerWaalsContact O-N 3.12Å; Y241-H245 VanDerWaalsContact O-CB 3.31Å; Y241-H245 WeakPolarHBondContact O-CB 3.24Å; Y241-H245 PolarHBondContact O-N 3.24Å; Y241-P251 HydrophobicContact CD1-CB 4.31Å; Y241-P251 HydrophobicContact CD1-CG 3.95Å; Y241-P251 HydrophobicContact CD2-CB 3.97Å; Y241-P251 HydrophobicContact CD2-CG 4.38Å; Y241-P251 HydrophobicContact CE1-CB 4.34Å; Y241-P251 HydrophobicContact CE1-CG 3.7Å; Y241-P251 HydrophobicContact CE2-CB 4.01Å; Y241-P251 HydrophobicContact CE2-CG 4.16Å; Y241-P251 HydrophobicContact CG-CB 4.14Å; Y241-P251 HydrophobicContact CG-CG 4.3Å; Y241-L285 HydrophobicContact CD1-CD2 3.75Å; Y241-L285 HydrophobicContact CD1-CG 4.43Å; Y241-L285 HydrophobicContact CD2-CD2 4.23Å; Y241-L285 HydrophobicContact CE1-CB 4.16Å; Y241-L285 HydrophobicContact CE1-CD2 4.18Å; Y241-L285 HydrophobicContact CG-CD2 3.76Å
242	M	98.9	Very high	98.7	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-64	-46.9	-179.1	-67.9	170.5	74.8	0	0	111.9	L94 L95 I98 L238 L239 H245 I246 I294 F297 F302	L94-M242 HydrophobicContact CD2-SD 3.7Å; L94-M242 HydrophobicContact CG-SD 4.45Å; L95-M242 HydrophobicContact CD2-CE 3.94Å; I98-M242 HydrophobicContact CD1-CE 3.31Å; I98-M242 HydrophobicContact CD1-SD 3.9Å; L238-M242 HydrophobicContact CD1-CG 4.34Å; L238-M242 HydrophobicContact CD1-SD 4.45Å; L238-M242 HydrophobicContact CG-CG 4.47Å; L238-M242 HydrophobicContact CG-SD 4.06Å; L238-M242 VanDerWaalsContact O-CG 3.31Å; L238-M242 WeakPolarHBondContact O-CG 3.41Å; L238-M242 PolarHBondContact O-N 3.14Å; L239-M242 PolarHBondContact O-N 3.15Å; M242-H245 PolarHBondContact O-N 3.41Å; M242-I246 PolarHBondContact O-N 3.49Å; M242-I294 HydrophobicContact CB-CD1 3.85Å; M242-I294 HydrophobicContact CE-CD1 4.05Å; M242-F297 HydrophobicContact CB-CD2 4.36Å; M242-F297 HydrophobicContact CB-CE2 3.81Å; M242-F297 HydrophobicContact CB-CZ 4.11Å; M242-F297 HydrophobicContact CE-CB 3.64Å; M242-F297 HydrophobicContact CE-CD1 4.34Å; M242-F297 HydrophobicContact CE-CD2 3.33Å; M242-F297 HydrophobicContact CE-CE2 3.99Å; M242-F297 HydrophobicContact CE-CG 3.54Å; M242-F297 HydrophobicContact CG-CD2 4.35Å; M242-F297 HydrophobicContact CG-CE2 4.12Å; M242-F297 HydrophobicContact CG-CZ 4.2Å; M242-F302 HydrophobicContact CE-CZ 4.04Å; M242-F302 HydrophobicContact CG-CE1 3.83Å; M242-F302 HydrophobicContact CG-CZ 3.86Å; M242-F302 HydrophobicContact SD-CE1 4.31Å; M242-F302 HydrophobicContact SD-CZ 3.95Å
243	I	98.9	Very high	98.7	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-67.7	-43.3	179	-63.7	173.7	0	0	0	110.3	L167 V170 I171 I174 F207 L214 L239 H245 I246 T247 I294	L167-I243 HydrophobicContact CD1-CD1 4.19Å; V170-I243 HydrophobicContact CG1-CD1 4.36Å; I171-I243 HydrophobicContact CG1-CG1 4.48Å; I171-I243 HydrophobicContact CG1-CG2 4.35Å; I174-I243 HydrophobicContact CD1-CG2 3.53Å; F207-I243 HydrophobicContact CE1-CD1 3.81Å; F207-I243 HydrophobicContact CE2-CD1 4.46Å; F207-I243 HydrophobicContact CZ-CD1 3.69Å; L214-I243 HydrophobicContact CD2-CB 3.72Å; L214-I243 HydrophobicContact CD2-CG2 3.49Å; L214-I243 VanDerWaalsContact CD2-CG2 3.49Å; L239-I243 HydrophobicContact CD1-CD1 3.85Å; L239-I243 HydrophobicContact CD1-CG1 4.17Å; L239-I243 HydrophobicContact CG-CD1 3.95Å; L239-I243 WeakPolarHBondContact O-CG1 3.36Å; L239-I243 PolarHBondContact O-N 3.39Å; I243-H245 VanDerWaalsContact C-N 3.3Å; I243-H245 PolarHBondContact O-N 2.82Å; I243-I246 WeakPolarHBondContact O-CG1 3.47Å; I243-I246 PolarHBondContact O-N 3.1Å; I243-T247 HydrophobicContact CG2-CG2 4.16Å; I243-T247 WeakPolarHBondContact O-CB 3.4Å; I243-T247 VanDerWaalsContact O-CG2 3.25Å; I243-T247 WeakPolarHBondContact O-CG2 3.2Å; I243-T247 PolarHBondContact O-N 2.57Å; I243-T247 VanDerWaalsContact O-N 3.1Å; I243-T247 PolarHBondContact O-OG1 2.85Å; I243-I294 HydrophobicContact CG1-CD1 4.31Å
244	A	98.8	Very high	98.7	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.008	11%	0.113	C	C	.	.	H	α-helix	trans	-56.2	-47.4	176.1	0	0	0	0	0	110.8	L214 T240 I246 T247 G248 L249	L214-A244 HydrophobicContact CB-CB 4.04Å; L214-A244 HydrophobicContact CD2-CB 4.08Å; T240-A244 WeakPolarHBondContact O-CB 3.47Å; T240-A244 PolarHBondContact O-N 3.03Å; A244-I246 PolarHBondContact O-N 3.27Å; A244-T247 CarbonylContact O-C 3.47Å; A244-T247 PolarHBondContact O-N 3.01Å; A244-T247 PolarHBondContact O-OG1 3.29Å; A244-T247 VanDerWaalsContact O-OG1 3.11Å; A244-G248 PolarHBondContact O-N 3.17Å; A244-L249 CarbonylContact C-O 3.57Å; A244-L249 HydrophobicContact CB-CB 4.3Å; A244-L249 PolarHBondContact O-N 2.88Å; A244-L249 VanDerWaalsContact O-O 3.1Å
245	H	98.6	Very high	98.7	Very high	50 Å²	50	20 Å²	20	23%	0.231	12%	0.116	C	C	.	.	H	α-helix	trans	-55.8	-54.6	178.1	175.6	82.6	0	0	0	112.9	Y241 M242 I243 T247 G248 L287 V291 F297	Y241-H245 VanDerWaalsContact O-CB 3.31Å; Y241-H245 WeakPolarHBondContact O-CB 3.24Å; Y241-H245 PolarHBondContact O-N 3.24Å; M242-H245 PolarHBondContact O-N 3.41Å; I243-H245 VanDerWaalsContact C-N 3.3Å; I243-H245 PolarHBondContact O-N 2.82Å; H245-T247 PolarHBondContact O-N 3.11Å; H245-G248 PolarHBondContact O-N 3.14Å; H245-L287 HydrophobicContact CB-CD1 3.53Å; H245-L287 VanDerWaalsContact CG-CD1 3.43Å; H245-L287 WeakPolarHBondContact ND1-CD1 3.5Å; H245-V291 PolarHBondContact CD2-O 3.5Å; H245-V291 VanDerWaalsContact CD2-O 3.25Å; H245-V291 PolarHBondContact NE2-N 2.94Å; H245-V291 PolarHBondContact NE2-O 3.24Å; H245-F297 HydrophobicContact CB-CZ 4.44Å; H245-F297 AromaticContact CD2-CZ 3.77Å
246	I	98.8	Very high	98.7	Very high	14 Å²	14	19.9 Å²	19.9	7%	0.072	12%	0.116	C	C	.	.	H	α-helix	trans	-74.1	-9.7	-176.1	66.9	174.2	0	0	0	113.8	I171 K175 M242 I243 A244 I294 F297	I171-I246 HydrophobicContact CD1-CD1 3.76Å; I171-I246 HydrophobicContact CG1-CD1 4.06Å; I171-I246 HydrophobicContact CG2-CD1 4.02Å; K175-I246 WeakPolarHBondContact CE-O 3.48Å; K175-I246 PolarHBondContact NZ-O 3.14Å; K175-I246 VanDerWaalsContact NZ-O 3.13Å; M242-I246 PolarHBondContact O-N 3.49Å; I243-I246 WeakPolarHBondContact O-CG1 3.47Å; I243-I246 PolarHBondContact O-N 3.1Å; A244-I246 PolarHBondContact O-N 3.27Å; I246-I294 HydrophobicContact CD1-CB 3.72Å; I246-I294 HydrophobicContact CD1-CD1 3.96Å; I246-I294 HydrophobicContact CD1-CG1 4.35Å; I246-F297 HydrophobicContact CG2-CE2 3.61Å; I246-F297 HydrophobicContact CG2-CZ 3.98Å
247	T	98.7	Very high	98.7	Very high	25 Å²	25	20.8 Å²	20.8	15%	0.153	12%	0.122	C	C	.	.	H	α-helix	trans	-104.5	0.3	176.5	58.6	0	0	0	0	112.6	I171 I174 K175 I243 A244 H245 L249	I171-T247 HydrophobicContact CG2-CG2 4.26Å; I174-T247 HydrophobicContact CB-CG2 4.21Å; I174-T247 HydrophobicContact CG2-CG2 3.68Å; K175-T247 HydrophobicContact CD-CG2 4.49Å; K175-T247 HydrophobicContact CG-CG2 3.89Å; I243-T247 HydrophobicContact CG2-CG2 4.16Å; I243-T247 WeakPolarHBondContact O-CB 3.4Å; I243-T247 VanDerWaalsContact O-CG2 3.25Å; I243-T247 WeakPolarHBondContact O-CG2 3.2Å; I243-T247 PolarHBondContact O-N 2.57Å; I243-T247 VanDerWaalsContact O-N 3.1Å; I243-T247 PolarHBondContact O-OG1 2.85Å; A244-T247 CarbonylContact O-C 3.47Å; A244-T247 PolarHBondContact O-N 3.01Å; A244-T247 PolarHBondContact O-OG1 3.29Å; A244-T247 VanDerWaalsContact O-OG1 3.11Å; H245-T247 PolarHBondContact O-N 3.11Å; T247-L249 VanDerWaalsContact C-N 3.27Å; T247-L249 PolarHBondContact O-N 3.03Å
248	G	98.3	Very high	98.7	Very high	74 Å²	74	20.9 Å²	20.9	76%	0.763	12%	0.122	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.9	18.4	179.8	0	0	0	0	0	114.1	A244 H245	A244-G248 PolarHBondContact O-N 3.17Å; H245-G248 PolarHBondContact O-N 3.14Å
249	L	98.7	Very high	98.6	Very high	36 Å²	36	21 Å²	21	19%	0.188	12%	0.124	C	C	.	.	P	Polyproline II helix	trans	-100.3	165.4	178.2	-60.5	175.3	0	0	0	111	I174 V209 L214 A244 T247	I174-L249 HydrophobicContact CG2-CD1 3.58Å; V209-L249 HydrophobicContact CG1-CD1 3.83Å; V209-L249 HydrophobicContact CG1-CD2 4.18Å; V209-L249 HydrophobicContact CG2-CD1 3.9Å; L214-L249 HydrophobicContact CB-CB 4.32Å; L214-L249 HydrophobicContact CB-CD1 4.02Å; L214-L249 HydrophobicContact CD1-CD1 4.48Å; A244-L249 CarbonylContact C-O 3.57Å; A244-L249 HydrophobicContact CB-CB 4.3Å; A244-L249 PolarHBondContact O-N 2.88Å; A244-L249 VanDerWaalsContact O-O 3.1Å; T247-L249 VanDerWaalsContact C-N 3.27Å; T247-L249 PolarHBondContact O-N 3.03Å
250	K	98.6	Very high	98.6	Very high	145 Å²	145	22.9 Å²	22.9	63%	0.63	13%	0.134	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-94.4	151.4	169.6	-66.5	176.3	-175.7	176.6	0	110.7	G212 E213 L214 G252	G212-K250 PolarHBondContact O-N 3.01Å; E213-K250 CarbonylContact C-O 3.52Å; E213-K250 WeakPolarHBondContact CA-O 3.18Å; E213-K250 HydrophobicContact CG-CB 4.14Å; L214-K250 PolarHBondContact N-O 2.88Å; K250-G252 PolarHBondContact O-N 3.16Å
251	P	98.5	Very high	98.5	Very high	27 Å²	27	22.9 Å²	22.9	18%	0.175	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	126.6	173	30.8	-34.8	0	0	0	110.4	L73 Y241	L73-P251 HydrophobicContact CB-CB 3.84Å; L73-P251 HydrophobicContact CD1-CB 4.2Å; Y241-P251 HydrophobicContact CD1-CB 4.31Å; Y241-P251 HydrophobicContact CD1-CG 3.95Å; Y241-P251 HydrophobicContact CD2-CB 3.97Å; Y241-P251 HydrophobicContact CD2-CG 4.38Å; Y241-P251 HydrophobicContact CE1-CB 4.34Å; Y241-P251 HydrophobicContact CE1-CG 3.7Å; Y241-P251 HydrophobicContact CE2-CB 4.01Å; Y241-P251 HydrophobicContact CE2-CG 4.16Å; Y241-P251 HydrophobicContact CG-CB 4.14Å; Y241-P251 HydrophobicContact CG-CG 4.3Å
252	G	98.5	Very high	98.5	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	-103.6	179.4	0	0	0	0	0	111.7	L73 L214 K250	L73-G252 WeakPolarHBondContact CA-O 3.26Å; L73-G252 VanDerWaalsContact CB-O 3.23Å; L73-G252 WeakPolarHBondContact CB-O 3.49Å; L73-G252 PolarHBondContact N-O 3.02Å; L214-G252 PolarHBondContact O-N 3.37Å; K250-G252 PolarHBondContact O-N 3.16Å
253	D	98.3	Very high	98.5	Very high	5 Å²	5	22.1 Å²	22.1	3%	0.027	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	148.2	-176.4	-60.4	-19.9	0	0	0	112.5	F33 R70 Y71 R74 S215 C216	F33-D253 HydrophobicContact CE1-CB 4.36Å; F33-D253 VanDerWaalsContact CE1-CG 3.45Å; F33-D253 VanDerWaalsContact CE1-OD1 3.31Å; F33-D253 WeakPolarHBondContact CE1-OD1 3.3Å; F33-D253 WeakPolarHBondContact CE1-OD2 3.1Å; F33-D253 WeakPolarHBondContact CZ-OD2 3.5Å; R70-D253 HydrophobicContact CG-CB 4.44Å; R70-D253 IonicContact CZ-OD2 2.7Å; R70-D253 IonicContact NE-OD2 3.41Å; R70-D253 PolarHBondContact NE-OD2 3.27Å; R70-D253 IonicContact NH2-OD2 3.92Å; R70-D253 PolarHBondContact NH2-OD2 3.16Å; Y71-D253 WeakPolarHBondContact O-CA 3.45Å; R74-D253 IonicContact CZ-OD1 3.74Å; R74-D253 IonicContact NH1-OD1 2.7Å; R74-D253 PolarHBondContact NH1-OD1 3.02Å; R74-D253 IonicContact NH2-OD1 3.67Å; R74-D253 PolarHBondContact NH2-OD1 2.76Å; S215-D253 CarbonylContact C-O 3.58Å; S215-D253 WeakPolarHBondContact CA-O 3.15Å; S215-D253 VanDerWaalsContact CB-O 3.28Å; S215-D253 WeakPolarHBondContact CB-O 3.5Å; S215-D253 PolarHBondContact OG-N 3.29Å; C216-D253 PolarHBondContact N-O 3.18Å
254	F	98.8	Very high	98.5	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	120	165.7	174.7	-118.6	0	0	0	110	R70 Y71 L73 C216 L218 I233 Y236 H256	R70-F254 WeakPolarHBondContact CA-O 3.43Å; Y71-F254 AromaticContact CD2-CD1 3.68Å; Y71-F254 HydrophobicContact CD2-CD1 3.68Å; Y71-F254 HydrophobicContact CD2-CE1 4.22Å; Y71-F254 HydrophobicContact CE2-CD1 4.3Å; Y71-F254 HydrophobicContact CE2-CE1 4.41Å; Y71-F254 PolarHBondContact N-O 2.89Å; Y71-F254 PolarHBondContact O-N 2.87Å; L73-F254 HydrophobicContact CD1-CB 4.14Å; L73-F254 HydrophobicContact CD2-CB 3.92Å; L73-F254 HydrophobicContact CG-CB 4.17Å; C216-F254 HydrophobicContact CB-CD2 4.35Å; C216-F254 CarbonylContact O-C 3.58Å; C216-F254 WeakPolarHBondContact O-CA 3.46Å; L218-F254 HydrophobicContact CB-CE2 3.76Å; L218-F254 HydrophobicContact CB-CZ 4.08Å; L218-F254 HydrophobicContact CD2-CE2 4.45Å; L218-F254 HydrophobicContact CD2-CZ 4.13Å; I233-F254 HydrophobicContact CB-CE1 4.2Å; I233-F254 HydrophobicContact CG1-CE1 4.25Å; I233-F254 HydrophobicContact CG2-CD1 4.26Å; I233-F254 HydrophobicContact CG2-CE1 4.12Å; Y236-F254 HydrophobicContact CG-CE2 4.32Å; F254-H256 HydrophobicContact CE1-CB 3.71Å; F254-H256 HydrophobicContact CZ-CB 3.76Å; F254-H256 AromaticContact CZ-CG 3.91Å
255	V	98.7	Very high	98.4	Very high	12 Å²	12	25.2 Å²	25.2	7%	0.073	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	120.3	177.5	-177.1	0	0	0	0	108.9	Q68 T69 R70 C216 Q217 L218	Q68-V255 HydrophobicContact CG-CG1 3.74Å; T69-V255 CarbonylContact O-C 3.35Å; T69-V255 WeakPolarHBondContact O-CA 3.47Å; R70-V255 HydrophobicContact CB-CG2 4.43Å; R70-V255 HydrophobicContact CG-CG2 3.93Å; C216-V255 PolarHBondContact O-N 2.85Å; Q217-V255 CarbonylContact C-O 3.58Å; Q217-V255 VanDerWaalsContact CA-O 3.31Å; Q217-V255 WeakPolarHBondContact CA-O 3.49Å; Q217-V255 HydrophobicContact CB-CB 4.04Å; Q217-V255 HydrophobicContact CG-CB 3.97Å; Q217-V255 HydrophobicContact CG-CG1 3.99Å; L218-V255 PolarHBondContact N-O 3.27Å
256	H	98.6	Very high	98.3	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	110.4	-178.7	-164.2	179.5	0	0	0	110.3	Q68 T69 Y71 Q220 F254 L258	Q68-H256 CarbonylContact C-O 3.56Å; Q68-H256 VanDerWaalsContact CA-O 3.26Å; Q68-H256 WeakPolarHBondContact CA-O 3.33Å; T69-H256 PolarHBondContact N-O 2.99Å; T69-H256 PolarHBondContact O-N 2.83Å; Y71-H256 HydrophobicContact CE2-CB 4.45Å; Q220-H256 PolarHBondContact OE1-CE1 3.1Å; Q220-H256 VanDerWaalsContact OE1-CE1 3.27Å; Q220-H256 PolarHBondContact OE1-NE2 2.9Å; F254-H256 HydrophobicContact CE1-CB 3.71Å; F254-H256 HydrophobicContact CZ-CB 3.76Å; F254-H256 AromaticContact CZ-CG 3.91Å; H256-L258 WeakPolarHBondContact NE2-CD2 3.11Å
257	T	98.6	Very high	98.2	Very high	24 Å²	24	25.1 Å²	25.1	15%	0.147	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	124.9	176.9	-51.3	0	0	0	0	109.6	S67 Q68 L218 Y219 Q220	S67-T257 WeakPolarHBondContact O-CA 3.17Å; Q68-T257 PolarHBondContact NE2-OG1 2.87Å; L218-T257 WeakPolarHBondContact O-CA 3.14Å; L218-T257 WeakPolarHBondContact O-CB 3.3Å; L218-T257 PolarHBondContact O-N 3.23Å; Y219-T257 HydrophobicContact CD2-CG2 3.93Å; Y219-T257 HydrophobicContact CE2-CG2 4.46Å; Q220-T257 PolarHBondContact N-O 3.28Å
258	L	98.5	Very high	98.2	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.005	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	135.2	177.8	-59	176.5	0	0	0	110.5	G66 S67 Q220 M225 V229 H256 A261	G66-L258 CarbonylContact C-O 3.42Å; G66-L258 VanDerWaalsContact CA-O 3.27Å; G66-L258 WeakPolarHBondContact CA-O 3.33Å; S67-L258 PolarHBondContact N-O 2.85Å; S67-L258 PolarHBondContact O-N 2.83Å; Q220-L258 HydrophobicContact CB-CD2 3.89Å; Q220-L258 HydrophobicContact CG-CD2 3.86Å; Q220-L258 CarbonylContact O-C 3.33Å; Q220-L258 WeakPolarHBondContact O-CA 3.49Å; M225-L258 HydrophobicContact SD-CD1 3.62Å; V229-L258 HydrophobicContact CG2-CD1 4.11Å; V229-L258 HydrophobicContact CG2-CD2 4.12Å; H256-L258 WeakPolarHBondContact NE2-CD2 3.11Å; L258-A261 HydrophobicContact CB-CB 3.99Å; L258-A261 HydrophobicContact CD1-CB 3.81Å
259	G	98.2	Very high	98.2	Very high	3 Å²	3	26.8 Å²	26.8	3%	0.031	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	-97.6	164	0	0	0	0	0	110.2	F65 G66 Q220 A261	F65-G259 WeakPolarHBondContact CA-O 3.38Å; G66-G259 PolarHBondContact N-O 3.33Å; Q220-G259 PolarHBondContact O-N 3.22Å; G259-A261 PolarHBondContact O-N 3.12Å; G259-A261 VanDerWaalsContact O-N 3.13Å
260	D	97.9	Very high	98.2	Very high	40 Å²	40	26.4 Å²	26.4	21%	0.214	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	91.4	174.8	-168.8	-18.9	0	0	0	111	K53 S63 R221 S222 G223 H262	K53-D260 IonicContact NZ-OD1 3.99Å; K53-D260 PolarHBondContact NZ-OD1 2.71Å; K53-D260 IonicContact NZ-OD2 3.82Å; K53-D260 PolarHBondContact NZ-OD2 2.83Å; S63-D260 WeakPolarHBondContact CB-OD1 3.17Å; R221-D260 PolarHBondContact O-N 3.06Å; S222-D260 WeakPolarHBondContact CA-O 3.43Å; G223-D260 PolarHBondContact N-O 2.97Å; D260-H262 PolarHBondContact O-ND1 3.17Å; D260-H262 IonicContact OD1-ND1 2.98Å
261	A	98.2	Very high	98.1	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	119.4	175.8	0	0	0	0	0	109.2	I46 S63 V64 M225 L258 G259	I46-A261 HydrophobicContact CD1-CB 3.95Å; S63-A261 WeakPolarHBondContact CA-O 3.23Å; V64-A261 HydrophobicContact CG2-CB 4.12Å; V64-A261 PolarHBondContact N-O 2.96Å; V64-A261 PolarHBondContact O-N 3.14Å; M225-A261 HydrophobicContact SD-CB 4.36Å; L258-A261 HydrophobicContact CB-CB 3.99Å; L258-A261 HydrophobicContact CD1-CB 3.81Å; G259-A261 PolarHBondContact O-N 3.12Å; G259-A261 VanDerWaalsContact O-N 3.13Å
262	H	98.4	Very high	98.1	Very high	8 Å²	8	22.6 Å²	22.6	4%	0.037	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	153.2	-167.9	61.3	-84.9	0	0	0	113.9	V61 I62 S222 G223 D224 M225 D260 Y264	V61-H262 HydrophobicContact CB-CB 4.11Å; V61-H262 HydrophobicContact CG1-CB 4.49Å; V61-H262 HydrophobicContact CG2-CB 4.24Å; I62-H262 CarbonylContact O-C 3.5Å; I62-H262 VanDerWaalsContact O-CA 3.28Å; I62-H262 WeakPolarHBondContact O-CA 3.23Å; S222-H262 PolarHBondContact OG-CE1 2.89Å; G223-H262 PolarHBondContact O-CE1 3.13Å; G223-H262 PolarHBondContact O-N 2.88Å; G223-H262 PolarHBondContact O-ND1 2.97Å; D224-H262 PolarHBondContact N-CE1 2.86Å; M225-H262 WeakPolarHBondContact CB-O 3.2Å; M225-H262 WeakPolarHBondContact CG-O 3.39Å; M225-H262 PolarHBondContact N-O 3.41Å; D260-H262 PolarHBondContact O-ND1 3.17Å; D260-H262 IonicContact OD1-ND1 2.98Å; H262-Y264 AromaticContact NE2-CE2 3.82Å
263	I	98.4	Very high	98.1	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	121.7	172.4	-68.9	170.9	0	0	0	107.3	C43 I46 L47 V61 I62 M225 H267 V268 L271	C43-I263 HydrophobicContact CB-CD1 4.44Å; I46-I263 HydrophobicContact CB-CD1 3.95Å; I46-I263 HydrophobicContact CB-CG1 4.46Å; I46-I263 HydrophobicContact CG2-CB 4.25Å; I46-I263 HydrophobicContact CG2-CD1 3.78Å; I46-I263 HydrophobicContact CG2-CG1 3.93Å; L47-I263 HydrophobicContact CD1-CD1 4.43Å; L47-I263 HydrophobicContact CD2-CD1 3.79Å; L47-I263 HydrophobicContact CD2-CG2 4.39Å; L47-I263 HydrophobicContact CG-CD1 3.68Å; V61-I263 CarbonylContact C-O 3.05Å; V61-I263 VanDerWaalsContact CA-O 3.3Å; V61-I263 WeakPolarHBondContact CA-O 3.29Å; I62-I263 PolarHBondContact N-O 3.49Å; I62-I263 PolarHBondContact O-N 3.25Å; M225-I263 HydrophobicContact CB-CG1 3.88Å; M225-I263 HydrophobicContact CG-CG1 4.3Å; I263-H267 HydrophobicContact CG2-CB 4.31Å; I263-V268 HydrophobicContact CG2-CG2 3.96Å; I263-L271 HydrophobicContact CB-CD1 4.17Å; I263-L271 HydrophobicContact CD1-CD1 3.69Å; I263-L271 HydrophobicContact CG1-CD1 3.6Å; I263-L271 HydrophobicContact CG2-CD1 3.57Å
264	Y	98.1	Very high	98.1	Very high	23 Å²	23	25.8 Å²	25.8	9%	0.09	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	143.5	170.9	-78	-78.1	0	0	0	111.1	T57 T59 V61 D224 H262 N266 H267 V268 A318	T57-Y264 HydrophobicContact CG2-CE1 4.5Å; T59-Y264 HydrophobicContact CG2-CD1 3.86Å; T59-Y264 HydrophobicContact CG2-CG 4.5Å; V61-Y264 HydrophobicContact CG1-CD1 3.57Å; V61-Y264 HydrophobicContact CG1-CE1 3.73Å; V61-Y264 HydrophobicContact CG1-CG 4.14Å; D224-Y264 HydrophobicContact CB-CD2 4.47Å; D224-Y264 HydrophobicContact CB-CE2 4.13Å; H262-Y264 AromaticContact NE2-CE2 3.82Å; Y264-N266 WeakPolarHBondContact CB-OD1 3.14Å; Y264-N266 PolarHBondContact O-N 3.25Å; Y264-N266 VanDerWaalsContact O-N 3.17Å; Y264-H267 AromaticContact CD2-CE1 3.93Å; Y264-H267 WeakPolarHBondContact O-CA 3.48Å; Y264-H267 WeakPolarHBondContact O-CB 3.22Å; Y264-H267 PolarHBondContact O-N 2.86Å; Y264-V268 PolarHBondContact O-N 3.25Å; Y264-A318 HydrophobicContact CD1-CB 3.72Å; Y264-A318 HydrophobicContact CD2-CB 4.39Å; Y264-A318 HydrophobicContact CE1-CB 3.39Å; Y264-A318 HydrophobicContact CE2-CB 4.1Å; Y264-A318 HydrophobicContact CG-CB 4.21Å
265	S	96.7	Very high	98.1	Very high	43 Å²	43	27.9 Å²	27.9	30%	0.301	15%	0.149	S	C	.	.	G	3₁₀ helix	trans	-59.2	-32.8	-176.2	-61.8	0	0	0	0	112.5	G60 H267	G60-S265 VanDerWaalsContact C-OG 3.28Å; G60-S265 WeakPolarHBondContact O-CB 3.48Å; G60-S265 PolarHBondContact O-N 3Å; G60-S265 PolarHBondContact O-OG 3.45Å; S265-H267 VanDerWaalsContact C-N 3.26Å; S265-H267 PolarHBondContact O-N 2.9Å
266	N	96.2	Very high	98.1	Very high	62 Å²	62	35 Å²	35	33%	0.332	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-77.2	-4.5	175.1	68.5	-23.3	0	0	0	114.1	T59 Y264 Q316	T59-N266 HydrophobicContact CG2-CB 4.3Å; Y264-N266 WeakPolarHBondContact CB-OD1 3.14Å; Y264-N266 PolarHBondContact O-N 3.25Å; Y264-N266 VanDerWaalsContact O-N 3.17Å; N266-Q316 PolarHBondContact ND2-O 3.28Å
267	H	98.1	Very high	98.1	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-103.8	-5.9	176.8	-62.4	175.1	0	0	0	113.5	D224 I263 Y264 S265 E269 P270 L271 M315 Q316	D224-H267 IonicContact OD1-ND1 2.61Å; D224-H267 IonicContact OD2-CE1 2.84Å; I263-H267 HydrophobicContact CG2-CB 4.31Å; Y264-H267 AromaticContact CD2-CE1 3.93Å; Y264-H267 WeakPolarHBondContact O-CA 3.48Å; Y264-H267 WeakPolarHBondContact O-CB 3.22Å; Y264-H267 PolarHBondContact O-N 2.86Å; S265-H267 VanDerWaalsContact C-N 3.26Å; S265-H267 PolarHBondContact O-N 2.9Å; H267-E269 PolarHBondContact O-N 3.35Å; H267-P270 WeakPolarHBondContact O-CD 3.42Å; H267-L271 HydrophobicContact CB-CD1 4.3Å; H267-L271 WeakPolarHBondContact O-CB 3.36Å; H267-L271 WeakPolarHBondContact O-CG 3.23Å; H267-L271 PolarHBondContact O-N 3.46Å; H267-M315 HydrophobicContact CB-SD 4.16Å; H267-Q316 PolarHBondContact NE2-O 3.29Å
268	V	97.9	Very high	98	Very high	17 Å²	17	43.9 Å²	43.9	10%	0.103	22%	0.219	C	C	.	.	H	α-helix	trans	-56.9	-53.2	-177.6	171.8	0	0	0	0	112.1	L47 I62 I263 Y264 L271 K272	L47-V268 HydrophobicContact CD2-CB 4.46Å; L47-V268 HydrophobicContact CD2-CG1 3.99Å; L47-V268 HydrophobicContact CD2-CG2 4.13Å; I62-V268 HydrophobicContact CD1-CG2 3.8Å; I263-V268 HydrophobicContact CG2-CG2 3.96Å; Y264-V268 PolarHBondContact O-N 3.25Å; V268-L271 PolarHBondContact O-N 3.37Å; V268-K272 HydrophobicContact CG1-CD 4.44Å; V268-K272 WeakPolarHBondContact O-CG 3.45Å; V268-K272 PolarHBondContact O-N 3.08Å
269	E	98.1	Very high	98	Very high	116 Å²	116	46.3 Å²	46.3	54%	0.542	23%	0.232	S	C	.	.	H	α-helix	trans	-66.6	-45.6	-179.6	-63.2	-54	131.5	0	0	112.5	H267 L271 K272 V273	H267-E269 PolarHBondContact O-N 3.35Å; E269-L271 VanDerWaalsContact C-N 3.29Å; E269-L271 PolarHBondContact O-N 2.86Å; E269-K272 PolarHBondContact O-N 3.35Å; E269-K272 IonicContact OE1-NZ 3.15Å; E269-K272 PolarHBondContact OE1-NZ 2.61Å; E269-K272 IonicContact OE2-NZ 2.79Å; E269-V273 PolarHBondContact O-N 2.84Å; E269-V273 VanDerWaalsContact O-N 3.14Å
270	P	98.1	Very high	98	Very high	28 Å²	28	50 Å²	50	18%	0.182	24%	0.244	C	C	.	.	H	α-helix	trans	-51.1	-42.3	169	-32.5	37.6	0	0	0	114.8	H267 V273 Q274 I313 M315	H267-P270 WeakPolarHBondContact O-CD 3.42Å; P270-V273 PolarHBondContact O-N 3.33Å; P270-Q274 PolarHBondContact O-N 2.81Å; P270-Q274 VanDerWaalsContact O-N 3.1Å; P270-I313 HydrophobicContact CB-CG2 3.65Å; P270-M315 HydrophobicContact CB-CE 3.64Å; P270-M315 HydrophobicContact CB-CG 3.63Å; P270-M315 HydrophobicContact CB-SD 4.18Å; P270-M315 HydrophobicContact CG-CG 4.15Å
271	L	98.1	Very high	98	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-73.2	-35.7	179.6	-78.5	170.5	0	0	0	112.8	I263 H267 V268 E269 V273 Q274 L275 M315	I263-L271 HydrophobicContact CB-CD1 4.17Å; I263-L271 HydrophobicContact CD1-CD1 3.69Å; I263-L271 HydrophobicContact CG1-CD1 3.6Å; I263-L271 HydrophobicContact CG2-CD1 3.57Å; H267-L271 HydrophobicContact CB-CD1 4.3Å; H267-L271 WeakPolarHBondContact O-CB 3.36Å; H267-L271 WeakPolarHBondContact O-CG 3.23Å; H267-L271 PolarHBondContact O-N 3.46Å; V268-L271 PolarHBondContact O-N 3.37Å; E269-L271 VanDerWaalsContact C-N 3.29Å; E269-L271 PolarHBondContact O-N 2.86Å; L271-V273 VanDerWaalsContact C-N 3.26Å; L271-V273 PolarHBondContact O-N 3.22Å; L271-Q274 WeakPolarHBondContact O-CA 3.35Å; L271-Q274 WeakPolarHBondContact O-CB 3.07Å; L271-Q274 PolarHBondContact O-N 3.33Å; L271-Q274 VanDerWaalsContact O-N 3.07Å; L271-L275 VanDerWaalsContact O-CG 3.31Å; L271-L275 WeakPolarHBondContact O-CG 3.46Å; L271-L275 PolarHBondContact O-N 2.72Å; L271-M315 HydrophobicContact CD2-CE 3.85Å; L271-M315 HydrophobicContact CG-CE 3.9Å
272	K	98.3	Very high	98	Very high	92 Å²	92	54.8 Å²	54.8	40%	0.4	28%	0.276	S	S	.	.	H	α-helix	trans	-58.9	-39.7	171.2	-74.5	176.6	-177.7	168.5	0	111.9	L47 V268 E269 Q274 L275 Q276	L47-K272 HydrophobicContact CD1-CG 4.39Å; V268-K272 HydrophobicContact CG1-CD 4.44Å; V268-K272 WeakPolarHBondContact O-CG 3.45Å; V268-K272 PolarHBondContact O-N 3.08Å; E269-K272 PolarHBondContact O-N 3.35Å; E269-K272 IonicContact OE1-NZ 3.15Å; E269-K272 PolarHBondContact OE1-NZ 2.61Å; E269-K272 IonicContact OE2-NZ 2.79Å; K272-Q274 VanDerWaalsContact C-N 3.35Å; K272-L275 PolarHBondContact O-N 2.85Å; K272-Q276 WeakPolarHBondContact O-CG 3.47Å; K272-Q276 PolarHBondContact O-N 2.78Å
273	V	98.3	Very high	98	Very high	71 Å²	71	54.4 Å²	54.4	43%	0.43	27%	0.274	S	S	.	.	H	α-helix	trans	-63.9	-41.3	173.1	175.2	0	0	0	0	111.1	E269 P270 L271 Q276 I313	E269-V273 PolarHBondContact O-N 2.84Å; E269-V273 VanDerWaalsContact O-N 3.14Å; P270-V273 PolarHBondContact O-N 3.33Å; L271-V273 VanDerWaalsContact C-N 3.26Å; L271-V273 PolarHBondContact O-N 3.22Å; V273-Q276 PolarHBondContact O-N 3.47Å; V273-I313 HydrophobicContact CG1-CD1 4.39Å
274	Q	98.5	Very high	98	Very high	1 Å²	1	59.2 Å²	59.2	1%	0.005	30%	0.295	C	S	.	.	H	α-helix	trans	-61.9	-43.1	176.4	-166.2	176.6	-10.6	0	0	112	L40 T82 P270 L271 K272 Q276 R277 I313	L40-Q274 HydrophobicContact CD2-CG 4.38Å; T82-Q274 WeakPolarHBondContact OG1-CG 3.28Å; T82-Q274 PolarHBondContact OG1-NE2 3.41Å; P270-Q274 PolarHBondContact O-N 2.81Å; P270-Q274 VanDerWaalsContact O-N 3.1Å; L271-Q274 WeakPolarHBondContact O-CA 3.35Å; L271-Q274 WeakPolarHBondContact O-CB 3.07Å; L271-Q274 PolarHBondContact O-N 3.33Å; L271-Q274 VanDerWaalsContact O-N 3.07Å; K272-Q274 VanDerWaalsContact C-N 3.35Å; Q274-Q276 PolarHBondContact O-N 2.63Å; Q274-R277 WeakPolarHBondContact O-CB 3.39Å; Q274-R277 PolarHBondContact O-N 2.88Å; Q274-R277 VanDerWaalsContact O-N 3.08Å; Q274-I313 HydrophobicContact CB-CD1 3.56Å; Q274-I313 HydrophobicContact CG-CD1 4.01Å
275	L	98.4	Very high	98	Very high	44 Å²	44	59 Å²	59	23%	0.23	30%	0.295	C	S	.	.	H	α-helix	trans	-64.1	-21.8	-178.4	-73.3	167.8	0	0	0	113.8	L40 C43 E44 L47 L271 K272 R277	L40-L275 HydrophobicContact CB-CD2 3.99Å; L40-L275 HydrophobicContact CD2-CD2 4.17Å; L40-L275 WeakPolarHBondContact O-CD2 3.27Å; C43-L275 HydrophobicContact CB-CD2 4.29Å; E44-L275 HydrophobicContact CB-CD2 4.3Å; L47-L275 HydrophobicContact CD1-CD1 3.62Å; L271-L275 VanDerWaalsContact O-CG 3.31Å; L271-L275 WeakPolarHBondContact O-CG 3.46Å; L271-L275 PolarHBondContact O-N 2.72Å; K272-L275 PolarHBondContact O-N 2.85Å; L275-R277 VanDerWaalsContact C-N 3.34Å
276	Q	98.1	Very high	98	Very high	162 Å²	162	61.9 Å²	61.9	76%	0.757	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-8.6	176.4	-69.1	175	-9.7	0	0	113.6	K272 V273 Q274	K272-Q276 WeakPolarHBondContact O-CG 3.47Å; K272-Q276 PolarHBondContact O-N 2.78Å; V273-Q276 PolarHBondContact O-N 3.47Å; Q274-Q276 PolarHBondContact O-N 2.63Å
277	R	98.4	Very high	98.1	Very high	47 Å²	47	61.1 Å²	61.1	18%	0.177	30%	0.298	C	S	.	.	S	Bend	trans	-85.5	137.8	-176.7	-68.6	173.1	173.5	-170.8	-3.7	111	T82 Q274 L275 I279 H310 P311	T82-R277 HydrophobicContact CG2-CB 4.19Å; T82-R277 WeakPolarHBondContact O-CD 3.35Å; T82-R277 PolarHBondContact O-NH1 3.08Å; Q274-R277 WeakPolarHBondContact O-CB 3.39Å; Q274-R277 PolarHBondContact O-N 2.88Å; Q274-R277 VanDerWaalsContact O-N 3.08Å; L275-R277 VanDerWaalsContact C-N 3.34Å; R277-I279 PolarHBondContact O-N 3.41Å; R277-H310 VanDerWaalsContact NH1-CB 3.35Å; R277-P311 PolarHBondContact NH1-O 2.65Å; R277-P311 PolarHBondContact NH2-O 2.84Å
278	E	97.8	Very high	98	Very high	162 Å²	162	66.2 Å²	66.2	76%	0.757	32%	0.324	S	S	*	.	P	Polyproline II helix	trans	-63.7	133.3	170.3	-65.1	-176.6	166.5	0	0	110.7	H310	E278-H310 PolarHBondContact O-CD2 2.81Å; E278-H310 PolarHBondContact O-NE2 2.73Å
279	I	98.1	Very high	98	Very high	53 Å²	53	69.7 Å²	69.7	27%	0.272	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-67.2	135.2	172.8	-61.8	170.2	0	0	0	108.3	E36 R37 L40 T82 R277	E36-I279 HydrophobicContact CB-CD1 4.3Å; E36-I279 HydrophobicContact CB-CG1 4.42Å; E36-I279 HydrophobicContact CB-CG2 3.83Å; E36-I279 HydrophobicContact CG-CD1 4.49Å; E36-I279 HydrophobicContact CG-CG1 4.29Å; E36-I279 HydrophobicContact CG-CG2 4.32Å; R37-I279 HydrophobicContact CB-CD1 3.87Å; L40-I279 HydrophobicContact CD1-CD1 3.85Å; L40-I279 HydrophobicContact CD1-CG1 3.74Å; T82-I279 HydrophobicContact CG2-CG1 4.07Å; R277-I279 PolarHBondContact O-N 3.41Å
280	R	98.1	Very high	97.9	Very high	79 Å²	79	69.7 Å²	69.7	30%	0.298	34%	0.344	S	S	.	.			trans	-106.4	159.1	170.5	-63.8	173.2	178.5	177.9	-0.3	109.2	T81 F282 N308 P309	T81-R280 HydrophobicContact CG2-CB 4.34Å; T81-R280 WeakPolarHBondContact CG2-O 3.28Å; T81-R280 PolarHBondContact OG1-N 2.78Å; T81-R280 PolarHBondContact OG1-O 2.83Å; T81-R280 VanDerWaalsContact OG1-O 3.09Å; R280-F282 PolarHBondContact O-N 3.1Å; R280-N308 WeakPolarHBondContact CD-O 3.12Å; R280-N308 PolarHBondContact NH1-O 3.07Å; R280-N308 PolarHBondContact NH1-OD1 2.84Å; R280-P309 PolarHBondContact NH1-O 2.94Å
281	P	97.5	Very high	97.9	Very high	116 Å²	116	68.5 Å²	68.5	75%	0.753	34%	0.336	S	S	*	.			trans	-54.3	138.8	176.9	-26.1	35.1	0	0	0	111.5	T81	T81-P281 WeakPolarHBondContact CG2-O 3.19Å
282	F	98.3	Very high	97.9	Very high	26 Å²	26	75.8 Å²	75.8	11%	0.114	37%	0.37	C	S	.	.			trans	-58.6	148	171.3	-78.2	-45.3	0	0	0	111	D35 E36 Y71 Q76 P78 L79 L80 T81 R280	D35-F282 HydrophobicContact CB-CE2 4.2Å; E36-F282 HydrophobicContact CB-CE1 3.84Å; E36-F282 HydrophobicContact CB-CE2 4.38Å; E36-F282 HydrophobicContact CB-CZ 3.56Å; E36-F282 VanDerWaalsContact N-CZ 3.33Å; Y71-F282 HydrophobicContact CD1-CE2 4.47Å; Y71-F282 HydrophobicContact CD1-CZ 4.47Å; Q76-F282 HydrophobicContact CB-CB 4.28Å; P78-F282 HydrophobicContact CB-CE2 4.25Å; P78-F282 HydrophobicContact CB-CZ 4.17Å; L79-F282 WeakPolarHBondContact O-CD1 3.29Å; L80-F282 HydrophobicContact CD2-CE1 4.46Å; T81-F282 HydrophobicContact CG2-CD1 4.28Å; R280-F282 PolarHBondContact O-N 3.1Å
283	P	98.4	Very high	97.9	Very high	0 Å²	0	77.7 Å²	77.7	0%	0	38%	0.378	C	S	.	.			trans	-70.6	175.9	172.9	32.7	-36.6	0	0	0	111.6	F77 L79 I304 V305 Y307	F77-P283 PolarHBondContact N-O 3.33Å; F77-P283 WeakPolarHBondContact O-CD 3.47Å; L79-P283 HydrophobicContact CB-CG 3.84Å; L79-P283 HydrophobicContact CD2-CG 4.31Å; P283-I304 HydrophobicContact CB-CG2 3.72Å; P283-I304 HydrophobicContact CG-CG2 4.01Å; P283-V305 WeakPolarHBondContact CA-O 3.4Å; P283-V305 WeakPolarHBondContact CB-O 3.37Å; P283-Y307 HydrophobicContact CB-CD2 4.11Å; P283-Y307 HydrophobicContact CB-CG 4.35Å; P283-Y307 HydrophobicContact CG-CD2 3.72Å; P283-Y307 HydrophobicContact CG-CE2 4.47Å; P283-Y307 HydrophobicContact CG-CG 4.27Å
284	K	98.1	Very high	97.9	Very high	101 Å²	101	74.5 Å²	74.5	44%	0.439	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	146.8	168	-63	-175.5	177.9	-174.3	0	110.3	D75 I304 V305	D75-K284 WeakPolarHBondContact O-CE 3.4Å; K284-I304 WeakPolarHBondContact O-CA 3.38Å; K284-V305 HydrophobicContact CB-CB 4.46Å; K284-V305 PolarHBondContact N-O 3.15Å; K284-V305 PolarHBondContact O-N 3.29Å
285	L	98.3	Very high	97.9	Very high	17 Å²	17	78.3 Å²	78.3	9%	0.089	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	127.3	168.4	178.9	67.7	0	0	0	108.8	F77 W87 L238 Y241 F302 I304	F77-L285 HydrophobicContact CB-CB 3.83Å; F77-L285 HydrophobicContact CD2-CB 3.86Å; F77-L285 HydrophobicContact CD2-CD2 3.85Å; F77-L285 HydrophobicContact CD2-CG 4.44Å; F77-L285 HydrophobicContact CE2-CD2 3.92Å; F77-L285 HydrophobicContact CG-CB 3.86Å; W87-L285 HydrophobicContact CH2-CD1 3.93Å; W87-L285 HydrophobicContact CZ2-CD1 4.06Å; L238-L285 HydrophobicContact CD1-CD2 3.59Å; Y241-L285 HydrophobicContact CD1-CD2 3.75Å; Y241-L285 HydrophobicContact CD1-CG 4.43Å; Y241-L285 HydrophobicContact CD2-CD2 4.23Å; Y241-L285 HydrophobicContact CE1-CB 4.16Å; Y241-L285 HydrophobicContact CE1-CD2 4.18Å; Y241-L285 HydrophobicContact CG-CD2 3.76Å; L285-F302 HydrophobicContact CD1-CB 4.24Å; L285-F302 HydrophobicContact CD1-CD1 4.23Å; L285-I304 HydrophobicContact CB-CD1 4.44Å; L285-I304 HydrophobicContact CD1-CD1 3.63Å
286	K	97.5	Very high	97.9	Very high	104 Å²	104	79.8 Å²	79.8	45%	0.452	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	134.8	170.7	-68.2	-173.9	-175.2	167.1	0	110.2	L288 E303 V305	K286-L288 HydrophobicContact CB-CD2 4.49Å; K286-E303 HydrophobicContact CB-CB 4.32Å; K286-E303 PolarHBondContact N-O 2.79Å; K286-E303 PolarHBondContact O-N 3.05Å; K286-V305 HydrophobicContact CD-CG2 3.71Å; K286-V305 HydrophobicContact CG-CG2 3.95Å
287	L	96.9	Very high	97.9	Very high	47 Å²	47	72.7 Å²	72.7	25%	0.246	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	117.8	165.3	-65	176.7	0	0	0	108.2	H245 F297 D301 F302	H245-L287 HydrophobicContact CB-CD1 3.53Å; H245-L287 VanDerWaalsContact CG-CD1 3.43Å; H245-L287 WeakPolarHBondContact ND1-CD1 3.5Å; L287-F297 HydrophobicContact CD2-CE1 4.1Å; L287-D301 CarbonylContact C-O 3.56Å; L287-D301 WeakPolarHBondContact CA-O 3.41Å; L287-F302 HydrophobicContact CD2-CD1 3.38Å; L287-F302 HydrophobicContact CD2-CE1 3.32Å; L287-F302 HydrophobicContact CD2-CG 4.33Å; L287-F302 HydrophobicContact CD2-CZ 4.22Å
288	L	97.8	Very high	97.9	Very high	106 Å²	106	77.6 Å²	77.6	56%	0.555	37%	0.372	S	S	*	.			trans	-81	-20.2	-175.4	-60.3	-173	0	0	0	112.8	K286 D301 E303	K286-L288 HydrophobicContact CB-CD2 4.49Å; L288-D301 PolarHBondContact N-O 2.85Å; L288-E303 HydrophobicContact CD1-CB 4.2Å; L288-E303 HydrophobicContact CD2-CB 3.91Å; L288-E303 HydrophobicContact CG-CB 4.13Å
289	R	97.5	Very high	97.9	Very high	91 Å²	91	71.1 Å²	71.1	34%	0.343	35%	0.346	S	S	.	.	S	Bend	trans	-130.3	144.5	-178.6	-174.5	171.7	60.7	97.1	-3.3	110.5	V291 D296 D301	R289-V291 PolarHBondContact O-N 3.02Å; R289-D296 PolarHBondContact NH2-O 3Å; R289-D301 WeakPolarHBondContact CB-OD1 3.32Å; R289-D301 IonicContact CZ-OD1 2.75Å; R289-D301 IonicContact CZ-OD2 3.02Å; R289-D301 IonicContact NE-OD1 2.82Å; R289-D301 PolarHBondContact NE-OD1 3.06Å; R289-D301 IonicContact NE-OD2 3.01Å; R289-D301 IonicContact NH2-OD1 3.16Å; R289-D301 PolarHBondContact NH2-OD1 3.39Å; R289-D301 IonicContact NH2-OD2 3.92Å; R289-D301 PolarHBondContact NH2-OD2 3.23Å
290	T	96.3	Very high	97.9	Very high	116 Å²	116	74.1 Å²	74.1	71%	0.712	36%	0.359	S	S	*	.			trans	-77.9	112.3	165.8	-58.1	0	0	0	0	109
291	V	97.9	Very high	97.9	Very high	2 Å²	2	70.7 Å²	70.7	1%	0.012	35%	0.347	C	S	.	.			trans	-103.4	141.5	176.4	-169.7	0	0	0	0	109.8	H245 R289 K293 D296 F297	H245-V291 PolarHBondContact CD2-O 3.5Å; H245-V291 VanDerWaalsContact CD2-O 3.25Å; H245-V291 PolarHBondContact NE2-N 2.94Å; H245-V291 PolarHBondContact NE2-O 3.24Å; R289-V291 PolarHBondContact O-N 3.02Å; V291-K293 WeakPolarHBondContact CG1-O 3.49Å; V291-D296 HydrophobicContact CG1-CB 3.56Å; V291-F297 HydrophobicContact CB-CD1 4.04Å; V291-F297 HydrophobicContact CB-CD2 4.45Å; V291-F297 HydrophobicContact CB-CE1 3.75Å; V291-F297 HydrophobicContact CB-CE2 4.21Å; V291-F297 HydrophobicContact CB-CG 4.38Å; V291-F297 HydrophobicContact CB-CZ 3.85Å; V291-F297 HydrophobicContact CG1-CD1 4.23Å; V291-F297 HydrophobicContact CG1-CD2 4.05Å; V291-F297 HydrophobicContact CG1-CE1 4.33Å; V291-F297 HydrophobicContact CG1-CE2 4.18Å; V291-F297 HydrophobicContact CG1-CG 4.09Å; V291-F297 HydrophobicContact CG1-CZ 4.32Å; V291-F297 HydrophobicContact CG2-CD1 3.58Å; V291-F297 HydrophobicContact CG2-CE1 3.52Å; V291-F297 HydrophobicContact CG2-CG 4.25Å; V291-F297 HydrophobicContact CG2-CZ 4.17Å
292	E	97.4	Very high	98	Very high	155 Å²	155	65.9 Å²	65.9	72%	0.724	31%	0.314	S	S	*	.	S	Bend	trans	-101.2	-31.7	-177.5	-64.9	-175.7	-179.9	0	0	113.6
293	K	98.3	Very high	97.9	Very high	132 Å²	132	68.5 Å²	68.5	57%	0.574	33%	0.327	S	S	*	.	S	Bend	trans	-119.8	147.8	-179.4	-57.7	177	-179.5	176.7	0	110.8	V291 D295 D296	V291-K293 WeakPolarHBondContact CG1-O 3.49Å; K293-D295 PolarHBondContact O-N 3.27Å; K293-D296 HydrophobicContact CB-CB 4.48Å; K293-D296 WeakPolarHBondContact CB-OD2 3.31Å; K293-D296 PolarHBondContact O-N 2.98Å; K293-D296 VanDerWaalsContact O-N 3.14Å
294	I	98.5	Very high	97.9	Very high	4 Å²	4	70.2 Å²	70.2	2%	0.021	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-61.1	-32.2	-179.1	-163.2	64	0	0	0	112.4	I98 L167 I171 M242 I243 I246 D296 F297	I98-I294 HydrophobicContact CD1-CD1 4.24Å; I98-I294 HydrophobicContact CD1-CG1 4.16Å; I98-I294 HydrophobicContact CG1-CG1 4.43Å; I98-I294 HydrophobicContact CG2-CG1 3.88Å; I98-I294 HydrophobicContact CG2-CG2 4.3Å; L167-I294 HydrophobicContact CD2-CG1 4.14Å; L167-I294 HydrophobicContact CD2-CG2 4.15Å; I171-I294 HydrophobicContact CD1-CB 3.74Å; I171-I294 HydrophobicContact CD1-CG1 4.14Å; I171-I294 HydrophobicContact CD1-CG2 3.73Å; M242-I294 HydrophobicContact CB-CD1 3.85Å; M242-I294 HydrophobicContact CE-CD1 4.05Å; I243-I294 HydrophobicContact CG1-CD1 4.31Å; I246-I294 HydrophobicContact CD1-CB 3.72Å; I246-I294 HydrophobicContact CD1-CD1 3.96Å; I246-I294 HydrophobicContact CD1-CG1 4.35Å; I294-D296 VanDerWaalsContact C-N 3.29Å; I294-D296 PolarHBondContact O-N 2.75Å; I294-F297 HydrophobicContact CD1-CD2 4.21Å; I294-F297 HydrophobicContact CD1-CE2 4.15Å; I294-F297 WeakPolarHBondContact O-CD2 3.46Å
295	D	98.1	Very high	98	Very high	81 Å²	81	66.5 Å²	66.5	43%	0.433	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-77.4	-13.8	-178.4	-61.4	-39.9	0	0	0	113.5	R146 K293	R146-D295 IonicContact CZ-OD1 3.73Å; R146-D295 IonicContact NH1-OD1 3.29Å; R146-D295 PolarHBondContact NH1-OD1 3.1Å; R146-D295 IonicContact NH1-OD2 3.14Å; R146-D295 IonicContact NH2-OD1 3.78Å; R146-D295 IonicContact NH2-OD2 3.14Å; R146-D295 PolarHBondContact NH2-OD2 2.76Å; K293-D295 PolarHBondContact O-N 3.27Å
296	D	98.3	Very high	97.9	Very high	74 Å²	74	71.6 Å²	71.6	40%	0.396	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-88	-6.4	-176.5	-69.6	-28	0	0	0	112.8	R289 V291 K293 I294	R289-D296 PolarHBondContact NH2-O 3Å; V291-D296 HydrophobicContact CG1-CB 3.56Å; K293-D296 HydrophobicContact CB-CB 4.48Å; K293-D296 WeakPolarHBondContact CB-OD2 3.31Å; K293-D296 PolarHBondContact O-N 2.98Å; K293-D296 VanDerWaalsContact O-N 3.14Å; I294-D296 VanDerWaalsContact C-N 3.29Å; I294-D296 PolarHBondContact O-N 2.75Å
297	F	98.6	Very high	98	Very high	13 Å²	13	68.7 Å²	68.7	6%	0.057	34%	0.335	C	S	.	.			trans	-68.4	141.3	177.6	-80.7	-74.8	0	0	0	111.9	L95 M242 H245 I246 L287 V291 I294 D301 F302	L95-F297 HydrophobicContact CD2-CB 3.86Å; M242-F297 HydrophobicContact CB-CD2 4.36Å; M242-F297 HydrophobicContact CB-CE2 3.81Å; M242-F297 HydrophobicContact CB-CZ 4.11Å; M242-F297 HydrophobicContact CE-CB 3.64Å; M242-F297 HydrophobicContact CE-CD1 4.34Å; M242-F297 HydrophobicContact CE-CD2 3.33Å; M242-F297 HydrophobicContact CE-CE2 3.99Å; M242-F297 HydrophobicContact CE-CG 3.54Å; M242-F297 HydrophobicContact CG-CD2 4.35Å; M242-F297 HydrophobicContact CG-CE2 4.12Å; M242-F297 HydrophobicContact CG-CZ 4.2Å; H245-F297 HydrophobicContact CB-CZ 4.44Å; H245-F297 AromaticContact CD2-CZ 3.77Å; I246-F297 HydrophobicContact CG2-CE2 3.61Å; I246-F297 HydrophobicContact CG2-CZ 3.98Å; L287-F297 HydrophobicContact CD2-CE1 4.1Å; V291-F297 HydrophobicContact CB-CD1 4.04Å; V291-F297 HydrophobicContact CB-CD2 4.45Å; V291-F297 HydrophobicContact CB-CE1 3.75Å; V291-F297 HydrophobicContact CB-CE2 4.21Å; V291-F297 HydrophobicContact CB-CG 4.38Å; V291-F297 HydrophobicContact CB-CZ 3.85Å; V291-F297 HydrophobicContact CG1-CD1 4.23Å; V291-F297 HydrophobicContact CG1-CD2 4.05Å; V291-F297 HydrophobicContact CG1-CE1 4.33Å; V291-F297 HydrophobicContact CG1-CE2 4.18Å; V291-F297 HydrophobicContact CG1-CG 4.09Å; V291-F297 HydrophobicContact CG1-CZ 4.32Å; V291-F297 HydrophobicContact CG2-CD1 3.58Å; V291-F297 HydrophobicContact CG2-CE1 3.52Å; V291-F297 HydrophobicContact CG2-CG 4.25Å; V291-F297 HydrophobicContact CG2-CZ 4.17Å; I294-F297 HydrophobicContact CD1-CD2 4.21Å; I294-F297 HydrophobicContact CD1-CE2 4.15Å; I294-F297 WeakPolarHBondContact O-CD2 3.46Å; F297-D301 HydrophobicContact CD1-CB 4.38Å; F297-F302 HydrophobicContact CB-CE2 4.23Å; F297-F302 HydrophobicContact CB-CZ 4.17Å; F297-F302 HydrophobicContact CD1-CE1 4.24Å; F297-F302 AromaticContact CD1-CE2 3.94Å; F297-F302 HydrophobicContact CD1-CE2 3.94Å; F297-F302 AromaticContact CD1-CZ 3.44Å; F297-F302 HydrophobicContact CD1-CZ 3.44Å; F297-F302 VanDerWaalsContact CD1-CZ 3.44Å; F297-F302 HydrophobicContact CE1-CE1 4.37Å; F297-F302 AromaticContact CE1-CZ 3.99Å; F297-F302 HydrophobicContact CE1-CZ 3.99Å; F297-F302 HydrophobicContact CG-CE2 4.43Å; F297-F302 AromaticContact CG-CZ 3.96Å; F297-F302 HydrophobicContact CG-CZ 3.96Å
298	R	98.1	Very high	98	Very high	150 Å²	150	71.6 Å²	71.6	57%	0.566	35%	0.351	S	S	*	.			trans	-131.5	159.8	177.6	-49.2	-178	-178.8	171.3	-1.6	110.3	E300 D301 F302	R298-E300 HydrophobicContact CB-CG 4.09Å; R298-E300 VanDerWaalsContact CB-OE1 3.26Å; R298-E300 WeakPolarHBondContact CB-OE1 3Å; R298-E300 WeakPolarHBondContact CB-OE2 3.37Å; R298-E300 WeakPolarHBondContact CD-OE1 3.44Å; R298-E300 PolarHBondContact O-N 3.38Å; R298-D301 PolarHBondContact N-OD2 2.86Å; R298-D301 WeakPolarHBondContact O-CB 3.27Å; R298-D301 PolarHBondContact O-N 3.02Å; R298-F302 WeakPolarHBondContact O-CD2 3.49Å; R298-F302 WeakPolarHBondContact O-CE2 3.38Å
299	A	97.8	Very high	98.1	Very high	26 Å²	26	66.9 Å²	66.9	22%	0.215	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-59.2	-34.8	-173.6	0	0	0	0	0	112.8	L91 E92 L95 D301 F302	L91-A299 HydrophobicContact CD2-CB 3.91Å; L91-A299 WeakPolarHBondContact CD2-O 3.45Å; L91-A299 HydrophobicContact CG-CB 4.34Å; E92-A299 WeakPolarHBondContact OE1-CB 3.39Å; L95-A299 HydrophobicContact CD1-CB 4.38Å; A299-D301 PolarHBondContact O-N 3.25Å; A299-F302 PolarHBondContact O-N 3.36Å
300	E	98	Very high	98.1	Very high	116 Å²	116	64 Å²	64	54%	0.542	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-70	-11.7	177.2	61.1	-88.3	-150	0	0	114.3	R298 F302	R298-E300 HydrophobicContact CB-CG 4.09Å; R298-E300 VanDerWaalsContact CB-OE1 3.26Å; R298-E300 WeakPolarHBondContact CB-OE1 3Å; R298-E300 WeakPolarHBondContact CB-OE2 3.37Å; R298-E300 WeakPolarHBondContact CD-OE1 3.44Å; R298-E300 PolarHBondContact O-N 3.38Å; E300-F302 PolarHBondContact O-N 3.47Å
301	D	98.6	Very high	98.2	Very high	8 Å²	8	62.7 Å²	62.7	4%	0.043	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-76.8	-8.1	175	-63.3	-43.8	0	0	0	112.5	L287 L288 R289 F297 R298 A299	L287-D301 CarbonylContact C-O 3.56Å; L287-D301 WeakPolarHBondContact CA-O 3.41Å; L288-D301 PolarHBondContact N-O 2.85Å; R289-D301 WeakPolarHBondContact CB-OD1 3.32Å; R289-D301 IonicContact CZ-OD1 2.75Å; R289-D301 IonicContact CZ-OD2 3.02Å; R289-D301 IonicContact NE-OD1 2.82Å; R289-D301 PolarHBondContact NE-OD1 3.06Å; R289-D301 IonicContact NE-OD2 3.01Å; R289-D301 IonicContact NH2-OD1 3.16Å; R289-D301 PolarHBondContact NH2-OD1 3.39Å; R289-D301 IonicContact NH2-OD2 3.92Å; R289-D301 PolarHBondContact NH2-OD2 3.23Å; F297-D301 HydrophobicContact CD1-CB 4.38Å; R298-D301 PolarHBondContact N-OD2 2.86Å; R298-D301 WeakPolarHBondContact O-CB 3.27Å; R298-D301 PolarHBondContact O-N 3.02Å; A299-D301 PolarHBondContact O-N 3.25Å
302	F	98.5	Very high	98.2	Very high	14 Å²	14	66.7 Å²	66.7	6%	0.061	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	127.1	-172.4	-54.8	-92.3	0	0	0	112.2	W87 L91 L238 M242 L285 L287 F297 R298 A299 E300	W87-F302 HydrophobicContact CZ2-CB 3.89Å; L91-F302 HydrophobicContact CD1-CD2 3.46Å; L91-F302 VanDerWaalsContact CD1-CD2 3.46Å; L91-F302 HydrophobicContact CD1-CE2 3.6Å; L91-F302 HydrophobicContact CD1-CG 3.99Å; L91-F302 HydrophobicContact CD1-CZ 4.21Å; L91-F302 HydrophobicContact CD2-CB 4.18Å; L91-F302 HydrophobicContact CD2-CD2 4Å; L91-F302 HydrophobicContact CD2-CG 4.35Å; L91-F302 HydrophobicContact CG-CD2 4.37Å; L238-F302 HydrophobicContact CD1-CD1 3.64Å; L238-F302 HydrophobicContact CD1-CE1 3.49Å; L238-F302 VanDerWaalsContact CD1-CE1 3.49Å; L238-F302 HydrophobicContact CD1-CZ 4.39Å; L238-F302 HydrophobicContact CG-CE1 4.5Å; M242-F302 HydrophobicContact CE-CZ 4.04Å; M242-F302 HydrophobicContact CG-CE1 3.83Å; M242-F302 HydrophobicContact CG-CZ 3.86Å; M242-F302 HydrophobicContact SD-CE1 4.31Å; M242-F302 HydrophobicContact SD-CZ 3.95Å; L285-F302 HydrophobicContact CD1-CB 4.24Å; L285-F302 HydrophobicContact CD1-CD1 4.23Å; L287-F302 HydrophobicContact CD2-CD1 3.38Å; L287-F302 HydrophobicContact CD2-CE1 3.32Å; L287-F302 HydrophobicContact CD2-CG 4.33Å; L287-F302 HydrophobicContact CD2-CZ 4.22Å; F297-F302 HydrophobicContact CB-CE2 4.23Å; F297-F302 HydrophobicContact CB-CZ 4.17Å; F297-F302 HydrophobicContact CD1-CE1 4.24Å; F297-F302 AromaticContact CD1-CE2 3.94Å; F297-F302 HydrophobicContact CD1-CE2 3.94Å; F297-F302 AromaticContact CD1-CZ 3.44Å; F297-F302 HydrophobicContact CD1-CZ 3.44Å; F297-F302 VanDerWaalsContact CD1-CZ 3.44Å; F297-F302 HydrophobicContact CE1-CE1 4.37Å; F297-F302 AromaticContact CE1-CZ 3.99Å; F297-F302 HydrophobicContact CE1-CZ 3.99Å; F297-F302 HydrophobicContact CG-CE2 4.43Å; F297-F302 AromaticContact CG-CZ 3.96Å; F297-F302 HydrophobicContact CG-CZ 3.96Å; R298-F302 WeakPolarHBondContact O-CD2 3.49Å; R298-F302 WeakPolarHBondContact O-CE2 3.38Å; A299-F302 PolarHBondContact O-N 3.36Å; E300-F302 PolarHBondContact O-N 3.47Å
303	E	98.3	Very high	98.2	Very high	82 Å²	82	60.5 Å²	60.5	38%	0.383	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	127.2	173.3	-176	-172.2	-156.6	0	0	110.3	K286 L288 V305	K286-E303 HydrophobicContact CB-CB 4.32Å; K286-E303 PolarHBondContact N-O 2.79Å; K286-E303 PolarHBondContact O-N 3.05Å; L288-E303 HydrophobicContact CD1-CB 4.2Å; L288-E303 HydrophobicContact CD2-CB 3.91Å; L288-E303 HydrophobicContact CG-CB 4.13Å; E303-V305 HydrophobicContact CG-CG2 3.82Å
304	I	98.4	Very high	98	Very high	36 Å²	36	63.4 Å²	63.4	19%	0.185	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	118	169.7	-61.6	-66.4	0	0	0	108.4	F77 L79 W87 P283 K284 L285 Y307	F77-I304 HydrophobicContact CD1-CD1 3.77Å; F77-I304 HydrophobicContact CE1-CD1 4.01Å; F77-I304 HydrophobicContact CG-CD1 4.49Å; L79-I304 HydrophobicContact CD2-CG2 4.36Å; W87-I304 HydrophobicContact CD2-CD1 4.07Å; W87-I304 HydrophobicContact CD2-CG1 3.68Å; W87-I304 HydrophobicContact CE3-CD1 4.04Å; W87-I304 HydrophobicContact CE3-CG1 4.15Å; W87-I304 HydrophobicContact CG-CG1 4.02Å; W87-I304 HydrophobicContact CH2-CD1 3.89Å; W87-I304 HydrophobicContact CH2-CG1 4.39Å; W87-I304 HydrophobicContact CZ2-CD1 3.93Å; W87-I304 HydrophobicContact CZ2-CG1 3.97Å; W87-I304 HydrophobicContact CZ3-CD1 3.96Å; W87-I304 HydrophobicContact CZ3-CG1 4.49Å; P283-I304 HydrophobicContact CB-CG2 3.72Å; P283-I304 HydrophobicContact CG-CG2 4.01Å; K284-I304 WeakPolarHBondContact O-CA 3.38Å; L285-I304 HydrophobicContact CB-CD1 4.44Å; L285-I304 HydrophobicContact CD1-CD1 3.63Å; I304-Y307 VanDerWaalsContact CG2-CB 3.48Å; I304-Y307 HydrophobicContact CG2-CD1 4.49Å; I304-Y307 HydrophobicContact CG2-CG 4.1Å
305	V	98.3	Very high	97.8	Very high	22 Å²	22	64.4 Å²	64.4	13%	0.133	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	140.9	-176.2	-175.3	0	0	0	0	110	P283 K284 K286 E303 Y307	P283-V305 WeakPolarHBondContact CA-O 3.4Å; P283-V305 WeakPolarHBondContact CB-O 3.37Å; K284-V305 HydrophobicContact CB-CB 4.46Å; K284-V305 PolarHBondContact N-O 3.15Å; K284-V305 PolarHBondContact O-N 3.29Å; K286-V305 HydrophobicContact CD-CG2 3.71Å; K286-V305 HydrophobicContact CG-CG2 3.95Å; E303-V305 HydrophobicContact CG-CG2 3.82Å; V305-Y307 VanDerWaalsContact C-N 3.27Å; V305-Y307 PolarHBondContact O-N 2.87Å
306	D	98	Very high	97.5	Very high	124 Å²	124	67.9 Å²	67.9	66%	0.663	34%	0.338	S	S	*	.	S	Bend	trans	61.2	26.5	178.4	-54.8	-39.2	0	0	0	115.1	N308	D306-N308 PolarHBondContact O-N 3.48Å
307	Y	98.3	Very high	96.9	Very high	44 Å²	44	69.5 Å²	69.5	17%	0.173	34%	0.344	C	S	.	.			trans	-78.3	95.1	176.1	-172.2	-134.7	0	0	0	112.7	L79 L80 T81 K83 V85 P283 I304 V305 P309	L79-Y307 HydrophobicContact CB-CE2 4.33Å; L79-Y307 HydrophobicContact CD2-CD1 3.91Å; L79-Y307 HydrophobicContact CD2-CD2 3.96Å; L79-Y307 HydrophobicContact CD2-CE1 3.64Å; L79-Y307 HydrophobicContact CD2-CE2 3.7Å; L79-Y307 HydrophobicContact CD2-CG 4.07Å; L79-Y307 HydrophobicContact CG-CD2 4.42Å; L79-Y307 HydrophobicContact CG-CE1 4.33Å; L79-Y307 HydrophobicContact CG-CE2 3.79Å; L80-Y307 VanDerWaalsContact O-CE2 3.31Å; L80-Y307 WeakPolarHBondContact O-CE2 3.45Å; L80-Y307 PolarHBondContact O-OH 2.77Å; T81-Y307 HydrophobicContact CG2-CE2 4.48Å; K83-Y307 PolarHBondContact O-OH 3.16Å; V85-Y307 PolarHBondContact N-OH 2.96Å; P283-Y307 HydrophobicContact CB-CD2 4.11Å; P283-Y307 HydrophobicContact CB-CG 4.35Å; P283-Y307 HydrophobicContact CG-CD2 3.72Å; P283-Y307 HydrophobicContact CG-CE2 4.47Å; P283-Y307 HydrophobicContact CG-CG 4.27Å; I304-Y307 VanDerWaalsContact CG2-CB 3.48Å; I304-Y307 HydrophobicContact CG2-CD1 4.49Å; I304-Y307 HydrophobicContact CG2-CG 4.1Å; V305-Y307 VanDerWaalsContact C-N 3.27Å; V305-Y307 PolarHBondContact O-N 2.87Å; Y307-P309 HydrophobicContact CD1-CG 4.05Å; Y307-P309 HydrophobicContact CD2-CB 4.41Å; Y307-P309 HydrophobicContact CD2-CG 4.3Å; Y307-P309 HydrophobicContact CE1-CB 4.25Å; Y307-P309 HydrophobicContact CE1-CG 3.6Å; Y307-P309 HydrophobicContact CE2-CB 3.72Å; Y307-P309 HydrophobicContact CE2-CG 3.88Å; Y307-P309 HydrophobicContact CG-CG 4.37Å; Y307-P309 VanDerWaalsContact CZ-CG 3.49Å; Y307-P309 WeakPolarHBondContact O-CD 3.46Å
308	N	97.9	Very high	96.2	Very high	108 Å²	108	69.6 Å²	69.6	58%	0.578	35%	0.347	S	S	*	.			trans	-111.1	66.8	177.7	-176.5	20.8	0	0	0	112.1	R280 D306	R280-N308 WeakPolarHBondContact CD-O 3.12Å; R280-N308 PolarHBondContact NH1-O 3.07Å; R280-N308 PolarHBondContact NH1-OD1 2.84Å; D306-N308 PolarHBondContact O-N 3.48Å
309	P	98.4	Very high	94.9	Very high	6 Å²	6	66 Å²	66	4%	0.039	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-77	161.7	-179.2	35.9	-39.3	0	0	0	112	T81 R84 R280 Y307	T81-P309 CarbonylContact O-C 3.54Å; T81-P309 VanDerWaalsContact O-CA 3.29Å; T81-P309 WeakPolarHBondContact O-CA 3.07Å; R84-P309 HydrophobicContact CB-CB 4.39Å; R84-P309 HydrophobicContact CB-CG 4.02Å; R84-P309 HydrophobicContact CG-CG 4.2Å; R280-P309 PolarHBondContact NH1-O 2.94Å; Y307-P309 HydrophobicContact CD1-CG 4.05Å; Y307-P309 HydrophobicContact CD2-CB 4.41Å; Y307-P309 HydrophobicContact CD2-CG 4.3Å; Y307-P309 HydrophobicContact CE1-CB 4.25Å; Y307-P309 HydrophobicContact CE1-CG 3.6Å; Y307-P309 HydrophobicContact CE2-CB 3.72Å; Y307-P309 HydrophobicContact CE2-CG 3.88Å; Y307-P309 HydrophobicContact CG-CG 4.37Å; Y307-P309 VanDerWaalsContact CZ-CG 3.49Å; Y307-P309 WeakPolarHBondContact O-CD 3.46Å
310	H	98.7	Very high	94.7	Very high	30 Å²	30	68 Å²	68	14%	0.139	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-61.8	158.9	161.5	-72.1	-95.5	0	0	0	111.5	T81 R84 R277 E278	T81-H310 PolarHBondContact O-CD2 3.42Å; T81-H310 PolarHBondContact O-N 3.29Å; R84-H310 PolarHBondContact N-O 2.97Å; R84-H310 VanDerWaalsContact N-O 3.09Å; R277-H310 VanDerWaalsContact NH1-CB 3.35Å; E278-H310 PolarHBondContact O-CD2 2.81Å; E278-H310 PolarHBondContact O-NE2 2.73Å
311	P	98.3	Very high	94.6	Very high	89 Å²	89	65.4 Å²	65.4	58%	0.578	34%	0.338	S	S	*	.	P	Polyproline II helix	trans	-55	152.9	179.4	-26.7	35.5	0	0	0	113.9	R277 I313	R277-P311 PolarHBondContact NH1-O 2.65Å; R277-P311 PolarHBondContact NH2-O 2.84Å; P311-I313 PolarHBondContact O-N 3.26Å
312	T	97.1	Very high	94.3	Very high	87 Å²	87	68.6 Å²	68.6	53%	0.534	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-53.5	138.1	177.3	-53.4	0	0	0	0	111.6
313	I	97.2	Very high	94.1	Very high	24 Å²	24	71.8 Å²	71.8	12%	0.123	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-103.9	120.2	167.3	-62.3	174.8	0	0	0	106.8	K83 P270 V273 Q274 P311 M315	K83-I313 HydrophobicContact CB-CD1 4.29Å; K83-I313 HydrophobicContact CB-CG1 4.34Å; P270-I313 HydrophobicContact CB-CG2 3.65Å; V273-I313 HydrophobicContact CG1-CD1 4.39Å; Q274-I313 HydrophobicContact CB-CD1 3.56Å; Q274-I313 HydrophobicContact CG-CD1 4.01Å; P311-I313 PolarHBondContact O-N 3.26Å; I313-M315 HydrophobicContact CB-CE 4.47Å; I313-M315 HydrophobicContact CG2-CE 3.87Å; I313-M315 HydrophobicContact CG2-CG 4.38Å
314	K	94.9	Very high	93.8	Very high	193 Å²	193	71.2 Å²	71.2	84%	0.839	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-77.6	126.9	179.3	-66.9	-175	179	-178.5	0	109.6
315	M	94.4	Very high	93.5	Very high	26 Å²	26	73.5 Å²	73.5	13%	0.128	38%	0.383	C	S	.	.			trans	-132.1	138.5	172.4	-61.7	179.7	-165.2	0	0	107.8	L227 H267 P270 L271 I313	L227-M315 HydrophobicContact CD1-CB 4.26Å; L227-M315 HydrophobicContact CD2-CB 3.86Å; L227-M315 HydrophobicContact CG-CB 4.03Å; H267-M315 HydrophobicContact CB-SD 4.16Å; P270-M315 HydrophobicContact CB-CE 3.64Å; P270-M315 HydrophobicContact CB-CG 3.63Å; P270-M315 HydrophobicContact CB-SD 4.18Å; P270-M315 HydrophobicContact CG-CG 4.15Å; L271-M315 HydrophobicContact CD2-CE 3.85Å; L271-M315 HydrophobicContact CG-CE 3.9Å; I313-M315 HydrophobicContact CB-CE 4.47Å; I313-M315 HydrophobicContact CG2-CE 3.87Å; I313-M315 HydrophobicContact CG2-CG 4.38Å
316	Q	91.1	Very high	93.2	Very high	153 Å²	153	77.2 Å²	77.2	72%	0.715	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-89.4	129.8	-179.5	-71.1	180	-25.5	0	0	110.2	N266 H267	N266-Q316 PolarHBondContact ND2-O 3.28Å; H267-Q316 PolarHBondContact NE2-O 3.29Å
317	M	86.4	Confident	92.8	Very high	108 Å²	108	73.6 Å²	73.6	53%	0.532	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-62.5	139.9	173.2	-73.5	177.1	63.7	0	0	110.8	L227	L227-M317 HydrophobicContact CD1-CB 4.35Å; L227-M317 HydrophobicContact CD1-CG 3.57Å
318	A	83.5	Confident	92.4	Very high	15 Å²	15	76.1 Å²	76.1	12%	0.124	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-89.5	125.1	171.2	0	0	0	0	0	109.1	T57 Y264	T57-A318 HydrophobicContact CG2-CB 3.8Å; Y264-A318 HydrophobicContact CD1-CB 3.72Å; Y264-A318 HydrophobicContact CD2-CB 4.39Å; Y264-A318 HydrophobicContact CE1-CB 3.39Å; Y264-A318 HydrophobicContact CE2-CB 4.1Å; Y264-A318 HydrophobicContact CG-CB 4.21Å
319	V	70.6	Confident	91.9	Very high	74 Å²	74	73.2 Å²	73.2	45%	0.448	38%	0.382	S	S	.	.			trans	-116.3	0	-173	-165.5	0	0	0	0	111.3	R56 A117 F123	R56-V319 PolarHBondContact NH1-OXT 3.29Å; A117-V319 HydrophobicContact CB-CG1 4.1Å; A117-V319 HydrophobicContact CB-CG2 4.34Å; F123-V319 HydrophobicContact CD2-CG1 4.1Å; F123-V319 HydrophobicContact CE2-CG1 4.21Å

Retrieved 319 of 319 residues in 281.3 ms (Link to these results)

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