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4-aminobutyrate aminotransferase, mitochondrial

Catalyzes the conversion of gamma-aminobutyrate and L-beta-aminoisobutyrate to succinate semialdehyde and methylmalonate semialdehyde, respectively. Can also convert delta-aminovalerate and beta-alanine.

AlphaFold DB , UniProt , Accession X5D8S1, Species HUMAN (Homo sapiens, Human), Gene ABAT, Length 500 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	41.4	Very low	33.7	Very low	236 Å²	236	162.1 Å²	162.1	100%	1.163	89%	0.891	S	S	*	*				0	78.2	0	-64.7	-159.5	-89.9	0	0	107.4
2	A	32.2	Very low	33.6	Very low	91 Å²	91	159.8 Å²	159.8	75%	0.752	89%	0.892	S	S	*	*			cis	52.7	124.2	37.9	0	0	0	0	0	112
3	S	31.2	Very low	33.7	Very low	117 Å²	117	153.7 Å²	153.7	82%	0.818	87%	0.867	S	S	*	*			trans	71.8	90.6	178.4	72.3	0	0	0	0	118.1
4	M	35.6	Very low	33.5	Very low	190 Å²	190	157.4 Å²	157.4	94%	0.936	87%	0.87	S	S	*	*	S	Bend	trans	173.9	33.2	131.7	-99.2	-172	165.7	0	0	115.5
5	L	34.8	Very low	33.3	Very low	180 Å²	180	160.1 Å²	160.1	94%	0.942	87%	0.874	S	S	*	*	S	Bend	trans	-133.9	32	175.6	-90.8	162.4	0	0	0	113.5
6	L	32.8	Very low	33.2	Very low	170 Å²	170	161.8 Å²	161.8	89%	0.89	87%	0.873	S	S	*	*			trans	-135.1	42.1	-173.8	-115.9	147.6	0	0	0	112.9
7	A	34.5	Very low	33.3	Very low	95 Å²	95	158.5 Å²	158.5	79%	0.785	87%	0.866	S	S	*	*	S	Bend	trans	-142.1	55.9	173.5	0	0	0	0	0	111.6
8	Q	34.7	Very low	33.1	Very low	196 Å²	196	161.8 Å²	161.8	92%	0.916	87%	0.865	S	S	*	*	S	Bend	trans	-162	19.8	164.8	-114.9	170.1	13.8	0	0	114.5
9	R	31.3	Very low	33	Very low	249 Å²	249	166.5 Å²	166.5	94%	0.94	87%	0.869	S	S	*	*	S	Bend	trans	-127.9	21.9	-179.6	-88	-166.4	177.5	-151.9	1.4	115.3
10	L	31.5	Very low	32.8	Very low	158 Å²	158	165.6 Å²	165.6	83%	0.827	87%	0.865	S	S	*	*	S	Bend	trans	-136.6	66.6	175.8	-88.9	155.5	0	0	0	110.1
11	A	30.7	Very low	32.8	Very low	101 Å²	101	166 Å²	166	84%	0.835	87%	0.867	S	S	*	*	S	Bend	trans	-151	25.8	163.3	0	0	0	0	0	111.4
12	C	32.2	Very low	32.2	Very low	134 Å²	134	160.3 Å²	160.3	91%	0.905	85%	0.845	S	S	*	*	S	Bend	trans	-135.9	58.1	178.6	-109.7	0	0	0	0	109.9
13	S	34.8	Very low	32.3	Very low	81 Å²	81	161.9 Å²	161.9	57%	0.566	85%	0.848	S	S	*	*	S	Bend	trans	-165.1	132.2	165.6	54.7	0	0	0	0	106.4
14	F	31.4	Very low	32.8	Very low	206 Å²	206	159.9 Å²	159.9	90%	0.904	85%	0.846	S	S	*	*	S	Bend	trans	87.4	72.2	-165.6	-63	-82.4	0	0	0	115.3
15	Q	30.4	Very low	32.8	Very low	198 Å²	198	156 Å²	156	93%	0.925	84%	0.837	S	S	*	*				-165.5	67.6	128.1	-103.5	173.1	4.4	0	0	108.5
16	H	32.4	Very low	33.1	Very low	186 Å²	186	157.8 Å²	157.8	86%	0.861	83%	0.831	S	S	*	*			trans	-111.2	138.4	157.6	-114.3	36.1	0	0	0	107.1
17	S	35	Very low	33.7	Very low	107 Å²	107	155.5 Å²	155.5	75%	0.748	82%	0.816	S	S	*	*	S	Bend	trans	92.7	129	-179.7	-49	0	0	0	0	115.5
18	Y	29.4	Very low	34.3	Very low	217 Å²	217	156.9 Å²	156.9	85%	0.851	81%	0.809	S	S	*	*			trans	84.2	67.9	-175.5	-55.7	-75.7	0	0	0	117.6
19	R	30.6	Very low	35.1	Very low	251 Å²	251	148.4 Å²	148.4	95%	0.947	77%	0.771	S	S	*	*			trans	-94.1	98.6	139.9	-86.2	-174.4	178.6	-170.3	0.3	108.2	L21	R19-L21 PolarHBondContact O-N 2.72Å
20	L	29.2	Very low	36	Very low	149 Å²	149	145 Å²	145	78%	0.78	77%	0.766	S	S	*	*			trans	-56.9	124.7	161.2	-81.4	151	0	0	0	108.1	V22	L20-V22 PolarHBondContact O-N 3.45Å
21	L	31.9	Very low	37	Very low	173 Å²	173	141.8 Å²	141.8	91%	0.906	76%	0.762	S	S	*	*			trans	-59.5	101.3	165.5	-85.3	146.4	0	0	0	108.1	R19	R19-L21 PolarHBondContact O-N 2.72Å
22	V	28.6	Very low	38.1	Very low	118 Å²	118	138.7 Å²	138.7	72%	0.715	74%	0.737	S	S	*	*			trans	-80.9	121.9	165.1	-178.4	0	0	0	0	107	L20 G24	L20-V22 PolarHBondContact O-N 3.45Å; V22-G24 PolarHBondContact O-N 2.9Å
23	P	35.7	Very low	39.1	Very low	124 Å²	124	136.8 Å²	136.8	81%	0.805	73%	0.73	S	S	*	*			trans	-72.8	125.4	172.9	-2.5	18.4	0	0	0	109.4
24	G	40.5	Very low	40.1	Very low	75 Å²	75	137.5 Å²	137.5	77%	0.773	72%	0.723	S	S	*	*			trans	73.4	63.2	155.8	0	0	0	0	0	117.3	V22 R26	V22-G24 PolarHBondContact O-N 2.9Å; G24-R26 PolarHBondContact O-N 3.27Å
25	S	36	Very low	41.2	Very low	108 Å²	108	132.7 Å²	132.7	76%	0.755	71%	0.71	S	S	*	*			trans	-83.7	101.2	155.1	61.8	0	0	0	0	109.1	H27	S25-H27 PolarHBondContact O-N 2.68Å
26	R	41.4	Very low	42.3	Very low	217 Å²	217	129.6 Å²	129.6	82%	0.819	70%	0.7	S	S	*	*			trans	-59.2	108.6	167.1	-79.4	-176.6	178.7	179.2	-0.8	108.4	G24 I28	G24-R26 PolarHBondContact O-N 3.27Å; R26-I28 PolarHBondContact O-N 3.3Å
27	H	46.2	Very low	43.6	Very low	123 Å²	123	122.9 Å²	122.9	57%	0.569	67%	0.672	S	S	*	*			trans	-81.8	99.8	170.7	-168.5	-60.6	0	0	0	108.3	S25 S29	S25-H27 PolarHBondContact O-N 2.68Å; H27-S29 PolarHBondContact O-N 2.85Å
28	I	45.8	Very low	45	Very low	123 Å²	123	127.7 Å²	127.7	63%	0.631	68%	0.683	S	S	*	*			trans	-74.7	111.5	166.5	-59.9	172.3	0	0	0	105.5	R26 Q30	R26-I28 PolarHBondContact O-N 3.3Å; I28-Q30 PolarHBondContact O-N 3.18Å; I28-Q30 VanDerWaalsContact O-N 3.17Å
29	S	52.6	Low	47.6	Very low	19 Å²	19	119.5 Å²	119.5	13%	0.133	65%	0.652	C	S	.	*			trans	-55.5	126.7	164.1	76	0	0	0	0	106.6	H27 A31 H486 N490	H27-S29 PolarHBondContact O-N 2.85Å; S29-A31 PolarHBondContact O-N 3.36Å; S29-H486 WeakPolarHBondContact CB-ND1 3.23Å; S29-H486 WeakPolarHBondContact OG-CB 3.44Å; S29-H486 PolarHBondContact OG-ND1 2.96Å; S29-N490 PolarHBondContact N-OD1 3.25Å; S29-N490 PolarHBondContact OG-OD1 3.49Å
30	Q	49.8	Very low	50.6	Low	178 Å²	178	108.8 Å²	108.8	83%	0.832	61%	0.613	S	S	*	*			trans	-39.9	119.9	-178.6	-81.5	-179.7	-15.3	0	0	109.4	I28 A32	I28-Q30 PolarHBondContact O-N 3.18Å; I28-Q30 VanDerWaalsContact O-N 3.17Å; Q30-A32 PolarHBondContact O-N 2.79Å
31	A	52.6	Low	53.7	Low	90 Å²	90	103.7 Å²	103.7	74%	0.744	58%	0.584	S	S	*	*			trans	-60.5	104.8	-178.9	0	0	0	0	0	107.4	S29 A33	S29-A31 PolarHBondContact O-N 3.36Å; A31-A33 PolarHBondContact O-N 3.48Å
32	A	53.7	Low	56.6	Low	36 Å²	36	101.3 Å²	101.3	30%	0.298	57%	0.572	S	S	.	*	P	Polyproline II helix	trans	-56.8	132	171.7	0	0	0	0	0	107.4	Q30 K34 D482	Q30-A32 PolarHBondContact O-N 2.79Å; A32-K34 PolarHBondContact O-N 2.87Å; A32-K34 VanDerWaalsContact O-N 3.13Å; A32-D482 HydrophobicContact CB-CB 4.37Å
33	A	53	Low	59.8	Low	93 Å²	93	96.3 Å²	96.3	77%	0.769	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-53.2	124.1	176.3	0	0	0	0	0	108.7	A31 V35	A31-A33 PolarHBondContact O-N 3.48Å; A33-V35 PolarHBondContact O-N 2.87Å; A33-V35 VanDerWaalsContact O-N 3.12Å
34	K	55	Low	62.8	Low	97 Å²	97	92.1 Å²	92.1	42%	0.422	52%	0.517	S	S	.	.	P	Polyproline II helix	trans	-61.9	117.9	177.8	-171.2	-172.4	175.7	-147.6	0	107.4	A32 D36 D42	A32-K34 PolarHBondContact O-N 2.87Å; A32-K34 VanDerWaalsContact O-N 3.13Å; K34-D36 IonicContact NZ-OD1 2.94Å; K34-D36 PolarHBondContact NZ-OD1 3.07Å; K34-D36 VanDerWaalsContact NZ-OD1 3.09Å; K34-D36 PolarHBondContact O-N 2.78Å; K34-D42 VanDerWaalsContact CE-OD1 3.25Å; K34-D42 WeakPolarHBondContact CE-OD1 3.4Å; K34-D42 IonicContact NZ-OD1 3.18Å; K34-D42 PolarHBondContact NZ-OD1 2.98Å
35	V	56.5	Low	65.6	Low	104 Å²	104	92.6 Å²	92.6	63%	0.63	50%	0.501	S	S	*	.	P	Polyproline II helix	trans	-76	116.2	160.6	-177.9	0	0	0	0	104.6	A33 V37	A33-V35 PolarHBondContact O-N 2.87Å; A33-V35 VanDerWaalsContact O-N 3.12Å; V35-V37 PolarHBondContact O-N 3.4Å
36	D	53	Low	68.5	Low	133 Å²	133	90.1 Å²	90.1	71%	0.711	48%	0.479	S	S	*	.			trans	-61.2	103.2	177.1	-97.3	-26.7	0	0	0	109	K34	K34-D36 IonicContact NZ-OD1 2.94Å; K34-D36 PolarHBondContact NZ-OD1 3.07Å; K34-D36 VanDerWaalsContact NZ-OD1 3.09Å; K34-D36 PolarHBondContact O-N 2.78Å
37	V	59.7	Low	71.3	Confident	46 Å²	46	86.6 Å²	86.6	28%	0.279	47%	0.469	S	S	.	.			trans	-91.3	100.3	165.6	-169.6	0	0	0	0	104.9	V35 F39 D40	V35-V37 PolarHBondContact O-N 3.4Å; V37-F39 PolarHBondContact O-N 2.66Å; V37-D40 HydrophobicContact CB-CB 4.37Å; V37-D40 HydrophobicContact CG1-CB 4.47Å; V37-D40 PolarHBondContact O-N 3.25Å; V37-D40 VanDerWaalsContact O-N 3.12Å
38	E	63.5	Low	73.8	Confident	207 Å²	207	83 Å²	83	97%	0.967	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-14.8	-173.4	-160.8	178.4	-177.2	0	0	114.1
39	F	84.7	Confident	76.2	Confident	45 Å²	45	83.4 Å²	83.4	20%	0.197	46%	0.455	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	-6.4	-174.5	177.9	-107.2	0	0	0	115.4	V37 R81 Y107 S108 H109 P110	V37-F39 PolarHBondContact O-N 2.66Å; F39-R81 HydrophobicContact CE1-CB 4.33Å; F39-R81 HydrophobicContact CE2-CB 4.31Å; F39-R81 HydrophobicContact CE2-CG 4.3Å; F39-R81 HydrophobicContact CZ-CB 3.9Å; F39-R81 HydrophobicContact CZ-CG 4.22Å; F39-Y107 WeakPolarHBondContact CE1-O 3.33Å; F39-Y107 WeakPolarHBondContact CZ-O 3.09Å; F39-S108 WeakPolarHBondContact CE2-O 3.31Å; F39-S108 WeakPolarHBondContact CZ-O 3.35Å; F39-H109 HydrophobicContact CE1-CB 4.42Å; F39-P110 HydrophobicContact CB-CG 3.98Å; F39-P110 HydrophobicContact CD1-CG 4.21Å; F39-P110 HydrophobicContact CD2-CG 3.18Å; F39-P110 HydrophobicContact CE2-CG 3.72Å; F39-P110 HydrophobicContact CG-CG 3.48Å; F39-P110 VanDerWaalsContact CG-CG 3.48Å; F39-P110 HydrophobicContact CZ-CG 4.45Å
40	D	92.3	Very high	78.4	Confident	26 Å²	26	82.7 Å²	82.7	14%	0.139	45%	0.45	C	S	.	.	S	Bend	trans	-104.7	165.2	-175.9	-143.3	-13	0	0	0	113.3	V37 G82 N83 Y84 H484	V37-D40 HydrophobicContact CB-CB 4.37Å; V37-D40 HydrophobicContact CG1-CB 4.47Å; V37-D40 PolarHBondContact O-N 3.25Å; V37-D40 VanDerWaalsContact O-N 3.12Å; D40-G82 WeakPolarHBondContact OD1-CA 3.31Å; D40-N83 PolarHBondContact OD1-N 2.9Å; D40-N83 VanDerWaalsContact OD1-N 3.13Å; D40-N83 PolarHBondContact OD2-N 3.16Å; D40-N83 PolarHBondContact OD2-ND2 3.4Å; D40-Y84 WeakPolarHBondContact OD1-CD2 3.37Å; D40-Y84 WeakPolarHBondContact OD1-CE2 3.39Å; D40-H484 IonicContact OD2-CE1 2.89Å; D40-H484 IonicContact OD2-NE2 3.35Å; D40-H484 PolarHBondContact OD2-NE2 3.34Å
41	Y	95.4	Very high	80.8	Confident	42 Å²	42	75.8 Å²	75.8	17%	0.165	42%	0.42	C	S	.	.			trans	-86.1	158.7	170.6	-65.6	-80.6	0	0	0	111.7	G43 E79 R81 Y84 R92	Y41-G43 VanDerWaalsContact C-N 3.35Å; Y41-G43 PolarHBondContact O-N 2.79Å; Y41-E79 PolarHBondContact OH-O 3.23Å; Y41-R81 HydrophobicContact CD2-CB 4.06Å; Y41-R81 HydrophobicContact CE2-CB 3.66Å; Y41-R81 HydrophobicContact CE2-CG 3.82Å; Y41-R81 PolarHBondContact OH-NE 3.45Å; Y41-Y84 HydrophobicContact CD2-CD2 4.09Å; Y41-Y84 HydrophobicContact CD2-CG 4.19Å; Y41-Y84 HydrophobicContact CG-CD2 4.4Å; Y41-Y84 WeakPolarHBondContact O-CE2 3.44Å; Y41-Y84 PolarHBondContact O-OH 2.77Å; Y41-R92 VanDerWaalsContact CD2-CD 3.46Å; Y41-R92 VanDerWaalsContact CG-CD 3.44Å
42	D	92.8	Very high	82.9	Confident	124 Å²	124	71.5 Å²	71.5	66%	0.663	39%	0.385	S	S	*	.	S	Bend	trans	-74.2	-22.1	179.1	-66.8	-49.9	0	0	0	114.5	K34	K34-D42 VanDerWaalsContact CE-OD1 3.25Å; K34-D42 WeakPolarHBondContact CE-OD1 3.4Å; K34-D42 IonicContact NZ-OD1 3.18Å; K34-D42 PolarHBondContact NZ-OD1 2.98Å
43	G	95.9	Very high	85.1	Confident	12 Å²	12	74 Å²	74	12%	0.124	40%	0.398	C	S	.	.	S	Bend	trans	173.2	170.9	-173.3	0	0	0	0	0	113.9	Y41 Y84 R92	Y41-G43 VanDerWaalsContact C-N 3.35Å; Y41-G43 PolarHBondContact O-N 2.79Å; G43-Y84 WeakPolarHBondContact CA-OH 3.46Å; G43-Y84 PolarHBondContact N-OH 3.45Å; G43-R92 PolarHBondContact O-NE 3.06Å; G43-R92 PolarHBondContact O-NH2 3.14Å; G43-R92 VanDerWaalsContact O-NH2 3.11Å
44	P	98.3	Very high	87.3	Confident	37 Å²	37	76 Å²	76	24%	0.24	39%	0.386	C	S	.	.			trans	-63.9	154.4	175.7	28.9	-36	0	0	0	111.5	R92 G461 I491	P44-R92 CarbonylContact C-O 3.41Å; P44-R92 WeakPolarHBondContact CA-O 3.46Å; P44-R92 VanDerWaalsContact CB-O 3.31Å; P44-R92 WeakPolarHBondContact CB-O 3.43Å; P44-G461 WeakPolarHBondContact CB-O 3.14Å; P44-I491 HydrophobicContact CG-CD1 4.15Å
45	L	98.6	Very high	89.4	Confident	85 Å²	85	71.4 Å²	71.4	45%	0.445	37%	0.366	S	S	.	.	B	Isolated β-bridge	trans	-143	103.5	175.3	-178.8	69.5	0	0	0	108.4	R92	L45-R92 HydrophobicContact CB-CB 4.23Å; L45-R92 PolarHBondContact N-O 2.82Å; L45-R92 PolarHBondContact O-N 3.05Å
46	M	98.7	Very high	91.4	Very high	56 Å²	56	71 Å²	71	28%	0.276	36%	0.357	S	S	.	.			trans	-96.4	136	-177.3	-55.2	-51.8	-69.8	0	0	110.6	V50 N91 M93 R458 G461	M46-V50 HydrophobicContact CE-CG2 3.67Å; M46-N91 HydrophobicContact CE-CB 3.77Å; M46-N91 HydrophobicContact SD-CB 4.11Å; M46-M93 HydrophobicContact CE-CG 3.99Å; M46-M93 HydrophobicContact CE-SD 4.38Å; M46-M93 HydrophobicContact SD-CG 3.79Å; M46-R458 WeakPolarHBondContact CE-O 3.31Å; M46-G461 WeakPolarHBondContact SD-CA 3.46Å
47	K	98.5	Very high	93.6	Very high	143 Å²	143	68.5 Å²	68.5	62%	0.622	34%	0.341	S	S	*	.			trans	-117.3	-32.5	178.5	-63	-175.8	-176.7	174.3	0	112.2	G90 N91	K47-G90 WeakPolarHBondContact CD-O 3.35Å; K47-G90 WeakPolarHBondContact CE-O 3.39Å; K47-N91 PolarHBondContact N-OD1 3.38Å
48	T	98.6	Very high	95.4	Very high	48 Å²	48	67.7 Å²	67.7	29%	0.294	34%	0.335	S	S	.	.	S	Bend	trans	-137.2	173.1	-179	71.2	0	0	0	0	110.5	N91	T48-N91 PolarHBondContact N-OD1 3.42Å; T48-N91 PolarHBondContact O-OD1 3.05Å; T48-N91 PolarHBondContact OG1-ND2 2.76Å
49	E	97.9	Very high	97.1	Very high	131 Å²	131	59.9 Å²	59.9	61%	0.612	30%	0.299	S	S	*	.			trans	-64.8	160.7	156.6	65.4	-166.4	167.7	0	0	111.2	P51 G52	E49-P51 CarbonylContact O-C 3.57Å; E49-G52 VanDerWaalsContact O-CA 3.28Å; E49-G52 WeakPolarHBondContact O-CA 3.46Å; E49-G52 PolarHBondContact O-N 2.97Å; E49-G52 VanDerWaalsContact O-N 3.11Å
50	V	98.7	Very high	97.8	Very high	4 Å²	4	64.6 Å²	64.6	2%	0.024	32%	0.32	C	S	.	.	S	Bend	trans	-121.8	121.6	-178.7	-175.6	0	0	0	0	110.1	M46 F73 N91 M93 R458 N459	M46-V50 HydrophobicContact CE-CG2 3.67Å; V50-F73 HydrophobicContact CG1-CB 3.92Å; V50-F73 HydrophobicContact CG1-CD1 3.32Å; V50-F73 HydrophobicContact CG1-CE1 3.93Å; V50-F73 HydrophobicContact CG1-CG 3.71Å; V50-N91 HydrophobicContact CG2-CB 4.43Å; V50-M93 HydrophobicContact CG1-SD 4.47Å; V50-M93 HydrophobicContact CG2-SD 4.13Å; V50-R458 HydrophobicContact CB-CG 4.01Å; V50-R458 HydrophobicContact CG1-CG 4Å; V50-R458 HydrophobicContact CG2-CG 4.45Å; V50-N459 PolarHBondContact N-OD1 3.02Å
51	P	98.6	Very high	98.1	Very high	32 Å²	32	67.7 Å²	67.7	21%	0.208	33%	0.333	C	S	.	.	S	Bend	cis	-75	136.2	4.6	30.1	-34.7	0	0	0	112.9	E49 Q56 M59 F73	E49-P51 CarbonylContact O-C 3.57Å; P51-Q56 HydrophobicContact CB-CG 4.17Å; P51-Q56 HydrophobicContact CG-CG 4.03Å; P51-Q56 PolarHBondContact O-NE2 2.93Å; P51-M59 HydrophobicContact CB-SD 3.96Å; P51-M59 HydrophobicContact CG-SD 4.1Å; P51-F73 HydrophobicContact CB-CB 4.14Å
52	G	98.6	Very high	98.2	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	34%	0.336	C	S	.	.			trans	-76.2	176.1	174.1	0	0	0	0	0	112.9	E49 R54 S55 Q56 D89	E49-G52 VanDerWaalsContact O-CA 3.28Å; E49-G52 WeakPolarHBondContact O-CA 3.46Å; E49-G52 PolarHBondContact O-N 2.97Å; E49-G52 VanDerWaalsContact O-N 3.11Å; G52-R54 VanDerWaalsContact C-N 3.3Å; G52-R54 PolarHBondContact O-N 3.17Å; G52-S55 WeakPolarHBondContact O-CB 3.25Å; G52-S55 PolarHBondContact O-N 3.47Å; G52-S55 VanDerWaalsContact O-N 3.16Å; G52-Q56 WeakPolarHBondContact O-CG 3.45Å; G52-Q56 PolarHBondContact O-N 2.88Å; G52-D89 VanDerWaalsContact C-OD1 3.26Å; G52-D89 VanDerWaalsContact CA-CG 3.44Å; G52-D89 WeakPolarHBondContact CA-OD2 3.34Å
53	P	98.8	Very high	98.5	Very high	89 Å²	89	65.7 Å²	65.7	58%	0.578	33%	0.325	S	S	*	.	H	α-helix	trans	-58.9	-36.6	-173.4	23	-34.2	0	0	0	113.6	E57 D89	P53-E57 PolarHBondContact O-N 3.49Å; P53-E57 VanDerWaalsContact O-N 3.14Å; P53-D89 WeakPolarHBondContact CD-OD1 3.3Å; P53-D89 VanDerWaalsContact N-OD1 3.16Å
54	R	98.8	Very high	98.6	Very high	135 Å²	135	71.8 Å²	71.8	51%	0.509	35%	0.353	S	S	.	.	H	α-helix	trans	-70.5	-42.7	177.7	-177.4	58.2	179	175.9	2.2	111.1	G52 Q56 E57 L58 V88 D89	G52-R54 VanDerWaalsContact C-N 3.3Å; G52-R54 PolarHBondContact O-N 3.17Å; R54-Q56 VanDerWaalsContact C-N 3.35Å; R54-E57 PolarHBondContact O-N 2.98Å; R54-L58 HydrophobicContact CG-CD1 4.44Å; R54-L58 WeakPolarHBondContact O-CG 3.49Å; R54-L58 PolarHBondContact O-N 3.26Å; R54-L58 VanDerWaalsContact O-N 3.14Å; R54-V88 HydrophobicContact CB-CG2 3.96Å; R54-V88 HydrophobicContact CG-CB 3.89Å; R54-V88 HydrophobicContact CG-CG2 3.66Å; R54-D89 WeakPolarHBondContact CA-OD1 3.24Å; R54-D89 WeakPolarHBondContact CB-OD1 3.28Å; R54-D89 PolarHBondContact N-OD1 3.1Å
55	S	98.8	Very high	98.6	Very high	0 Å²	0	76.4 Å²	76.4	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-59.3	-45.2	173.9	-67.5	0	0	0	0	111.8	G52 E57 L58 M59 F74 V88 D89	G52-S55 WeakPolarHBondContact O-CB 3.25Å; G52-S55 PolarHBondContact O-N 3.47Å; G52-S55 VanDerWaalsContact O-N 3.16Å; S55-E57 PolarHBondContact O-N 3.37Å; S55-L58 PolarHBondContact O-N 2.91Å; S55-M59 WeakPolarHBondContact O-CB 3.4Å; S55-M59 WeakPolarHBondContact O-CG 3.48Å; S55-M59 PolarHBondContact O-N 3.1Å; S55-F74 PolarHBondContact OG-N 3.38Å; S55-V88 VanDerWaalsContact OG-CG2 3.22Å; S55-V88 WeakPolarHBondContact OG-CG2 3.14Å; S55-D89 VanDerWaalsContact CB-OD2 3.32Å; S55-D89 WeakPolarHBondContact CB-OD2 3.14Å; S55-D89 PolarHBondContact N-OD2 3.35Å; S55-D89 PolarHBondContact OG-OD2 2.9Å
56	Q	98.8	Very high	98.6	Very high	96 Å²	96	77.9 Å²	77.9	45%	0.449	38%	0.38	S	S	.	.	H	α-helix	trans	-61.3	-41.6	179.4	-69.5	175.9	23.8	0	0	112.5	P51 G52 R54 M59 K60	P51-Q56 HydrophobicContact CB-CG 4.17Å; P51-Q56 HydrophobicContact CG-CG 4.03Å; P51-Q56 PolarHBondContact O-NE2 2.93Å; G52-Q56 WeakPolarHBondContact O-CG 3.45Å; G52-Q56 PolarHBondContact O-N 2.88Å; R54-Q56 VanDerWaalsContact C-N 3.35Å; Q56-M59 PolarHBondContact O-N 3.35Å; Q56-K60 PolarHBondContact O-N 3.07Å
57	E	98.8	Very high	98.6	Very high	81 Å²	81	80.4 Å²	80.4	38%	0.379	39%	0.394	S	S	.	.	H	α-helix	trans	-61.7	-45.8	175.1	176.6	54.1	-150.8	0	0	111.6	P53 R54 S55 M59 K60 Q61	P53-E57 PolarHBondContact O-N 3.49Å; P53-E57 VanDerWaalsContact O-N 3.14Å; R54-E57 PolarHBondContact O-N 2.98Å; S55-E57 PolarHBondContact O-N 3.37Å; E57-M59 PolarHBondContact O-N 3.15Å; E57-K60 WeakPolarHBondContact O-CB 3.43Å; E57-K60 PolarHBondContact O-N 2.92Å; E57-Q61 WeakPolarHBondContact O-CG 3.14Å; E57-Q61 PolarHBondContact O-N 3.16Å; E57-Q61 PolarHBondContact OE1-NE2 2.93Å
58	L	98.8	Very high	98.5	Very high	29 Å²	29	73.8 Å²	73.8	15%	0.152	37%	0.366	C	S	.	.	H	α-helix	trans	-66.1	-36.5	177.2	-67.1	173.7	0	0	0	112.5	R54 S55 K60 Q61 L62 F74 V88	R54-L58 HydrophobicContact CG-CD1 4.44Å; R54-L58 WeakPolarHBondContact O-CG 3.49Å; R54-L58 PolarHBondContact O-N 3.26Å; R54-L58 VanDerWaalsContact O-N 3.14Å; S55-L58 PolarHBondContact O-N 2.91Å; L58-K60 VanDerWaalsContact C-N 3.35Å; L58-Q61 PolarHBondContact O-N 3.26Å; L58-L62 WeakPolarHBondContact O-CB 3.42Å; L58-L62 PolarHBondContact O-N 3.13Å; L58-F74 VanDerWaalsContact C-CE2 3.46Å; L58-F74 HydrophobicContact CB-CB 4.47Å; L58-F74 HydrophobicContact CB-CD1 3.86Å; L58-F74 HydrophobicContact CB-CD2 3.51Å; L58-F74 HydrophobicContact CB-CE1 3.87Å; L58-F74 HydrophobicContact CB-CE2 3.54Å; L58-F74 HydrophobicContact CB-CG 3.67Å; L58-F74 HydrophobicContact CB-CZ 3.72Å; L58-F74 HydrophobicContact CD1-CB 3.7Å; L58-F74 HydrophobicContact CD1-CD1 3.7Å; L58-F74 HydrophobicContact CD1-CD2 4.31Å; L58-F74 HydrophobicContact CD1-CE1 4.4Å; L58-F74 HydrophobicContact CD1-CG 3.64Å; L58-F74 HydrophobicContact CG-CD1 4.36Å; L58-F74 HydrophobicContact CG-CG 4.32Å; L58-V88 HydrophobicContact CD1-CB 4.48Å; L58-V88 HydrophobicContact CD1-CG1 4.18Å; L58-V88 HydrophobicContact CD1-CG2 4.07Å
59	M	98.8	Very high	98.5	Very high	42 Å²	42	79.1 Å²	79.1	21%	0.207	39%	0.388	C	S	.	.	H	α-helix	trans	-61.9	-43.8	173.8	-72.3	168.2	67.5	0	0	111	P51 S55 Q56 E57 Q61 L62 N63 V71 F74	P51-M59 HydrophobicContact CB-SD 3.96Å; P51-M59 HydrophobicContact CG-SD 4.1Å; S55-M59 WeakPolarHBondContact O-CB 3.4Å; S55-M59 WeakPolarHBondContact O-CG 3.48Å; S55-M59 PolarHBondContact O-N 3.1Å; Q56-M59 PolarHBondContact O-N 3.35Å; E57-M59 PolarHBondContact O-N 3.15Å; M59-Q61 VanDerWaalsContact C-N 3.34Å; M59-Q61 PolarHBondContact O-N 2.95Å; M59-L62 PolarHBondContact O-N 3.32Å; M59-N63 VanDerWaalsContact O-CB 3.3Å; M59-N63 WeakPolarHBondContact O-CB 3.47Å; M59-N63 PolarHBondContact O-N 2.99Å; M59-V71 VanDerWaalsContact CE-O 3.31Å; M59-V71 WeakPolarHBondContact CE-O 3.4Å; M59-V71 HydrophobicContact CG-CB 4.35Å; M59-V71 HydrophobicContact CG-CG1 3.87Å; M59-V71 HydrophobicContact SD-CG1 4.44Å; M59-F74 HydrophobicContact CB-CE2 4.31Å; M59-F74 HydrophobicContact CG-CD2 3.94Å; M59-F74 HydrophobicContact CG-CE2 3.66Å
60	K	98.8	Very high	98.5	Very high	145 Å²	145	77 Å²	77	63%	0.63	39%	0.392	S	S	*	.	H	α-helix	trans	-60.7	-43.6	175.5	-177	-179.6	177.1	-174.5	0	111.6	Q56 E57 L58 N63	Q56-K60 PolarHBondContact O-N 3.07Å; E57-K60 WeakPolarHBondContact O-CB 3.43Å; E57-K60 PolarHBondContact O-N 2.92Å; L58-K60 VanDerWaalsContact C-N 3.35Å; K60-N63 PolarHBondContact O-N 3.19Å
61	Q	98.8	Very high	98.5	Very high	90 Å²	90	78.7 Å²	78.7	42%	0.421	40%	0.403	S	S	.	.	H	α-helix	trans	-62.4	-47.1	176.6	-68.9	173.2	18.1	0	0	111.9	E57 L58 M59 N63 I64	E57-Q61 WeakPolarHBondContact O-CG 3.14Å; E57-Q61 PolarHBondContact O-N 3.16Å; E57-Q61 PolarHBondContact OE1-NE2 2.93Å; L58-Q61 PolarHBondContact O-N 3.26Å; M59-Q61 VanDerWaalsContact C-N 3.34Å; M59-Q61 PolarHBondContact O-N 2.95Å; Q61-N63 VanDerWaalsContact C-N 3.28Å; Q61-N63 PolarHBondContact O-N 3.47Å; Q61-I64 WeakPolarHBondContact O-CB 3.08Å; Q61-I64 PolarHBondContact O-N 3.46Å
62	L	98.6	Very high	98.5	Very high	42 Å²	42	81.9 Å²	81.9	22%	0.22	42%	0.415	C	S	.	.	H	α-helix	trans	-64.7	-35	178.5	-176.7	59.8	0	0	0	111.9	L58 M59 I64 I65 Q66 A68 V71 F74	L58-L62 WeakPolarHBondContact O-CB 3.42Å; L58-L62 PolarHBondContact O-N 3.13Å; M59-L62 PolarHBondContact O-N 3.32Å; L62-I64 PolarHBondContact O-N 3.41Å; L62-I64 VanDerWaalsContact O-N 3.16Å; L62-I65 HydrophobicContact CD1-CD1 4.03Å; L62-I65 HydrophobicContact CD1-CG1 4.04Å; L62-I65 VanDerWaalsContact O-CG1 3.27Å; L62-I65 WeakPolarHBondContact O-CG1 3.45Å; L62-I65 PolarHBondContact O-N 3.46Å; L62-I65 VanDerWaalsContact O-N 3.08Å; L62-Q66 HydrophobicContact CD1-CG 3.88Å; L62-Q66 HydrophobicContact CG-CG 4.06Å; L62-Q66 PolarHBondContact O-N 3.3Å; L62-A68 HydrophobicContact CB-CB 4.32Å; L62-A68 HydrophobicContact CD2-CB 4.27Å; L62-A68 HydrophobicContact CG-CB 4.1Å; L62-V71 HydrophobicContact CD2-CG2 4.01Å; L62-F74 HydrophobicContact CB-CZ 4.11Å; L62-F74 HydrophobicContact CD2-CZ 3.86Å
63	N	98.5	Very high	98.5	Very high	83 Å²	83	82.8 Å²	82.8	44%	0.444	42%	0.419	S	S	.	.	H	α-helix	trans	-66	-15.3	179.6	-157.6	64.3	0	0	0	113.7	M59 K60 Q61 I65 Q66 A68	M59-N63 VanDerWaalsContact O-CB 3.3Å; M59-N63 WeakPolarHBondContact O-CB 3.47Å; M59-N63 PolarHBondContact O-N 2.99Å; K60-N63 PolarHBondContact O-N 3.19Å; Q61-N63 VanDerWaalsContact C-N 3.28Å; Q61-N63 PolarHBondContact O-N 3.47Å; N63-I65 VanDerWaalsContact C-N 3.33Å; N63-Q66 CarbonylContact C-O 3.58Å; N63-Q66 VanDerWaalsContact CA-O 3.23Å; N63-Q66 WeakPolarHBondContact CA-O 3.14Å; N63-A68 HydrophobicContact CB-CB 3.93Å; N63-A68 PolarHBondContact OD1-N 3.13Å
64	I	98.6	Very high	98.5	Very high	139 Å²	139	81.1 Å²	81.1	71%	0.713	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-34	173.6	-63.9	172.2	0	0	0	110.9	Q61 L62	Q61-I64 WeakPolarHBondContact O-CB 3.08Å; Q61-I64 PolarHBondContact O-N 3.46Å; L62-I64 PolarHBondContact O-N 3.41Å; L62-I64 VanDerWaalsContact O-N 3.16Å
65	I	98.3	Very high	98.5	Very high	134 Å²	134	76.2 Å²	76.2	69%	0.687	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.7	-15.4	-170.1	62.5	170.1	0	0	0	113.9	L62 N63	L62-I65 HydrophobicContact CD1-CD1 4.03Å; L62-I65 HydrophobicContact CD1-CG1 4.04Å; L62-I65 VanDerWaalsContact O-CG1 3.27Å; L62-I65 WeakPolarHBondContact O-CG1 3.45Å; L62-I65 PolarHBondContact O-N 3.46Å; L62-I65 VanDerWaalsContact O-N 3.08Å; N63-I65 VanDerWaalsContact C-N 3.33Å
66	Q	97.9	Very high	98.5	Very high	117 Å²	117	78.6 Å²	78.6	55%	0.547	40%	0.401	S	S	.	.	S	Bend	trans	-158.4	162.1	174.1	64.1	-174	-106.4	0	0	110.1	L62 N63 A68	L62-Q66 HydrophobicContact CD1-CG 3.88Å; L62-Q66 HydrophobicContact CG-CG 4.06Å; L62-Q66 PolarHBondContact O-N 3.3Å; N63-Q66 CarbonylContact C-O 3.58Å; N63-Q66 VanDerWaalsContact CA-O 3.23Å; N63-Q66 WeakPolarHBondContact CA-O 3.14Å; Q66-A68 PolarHBondContact O-N 2.67Å; Q66-A68 VanDerWaalsContact O-N 3.16Å
67	N	98	Very high	98.5	Very high	108 Å²	108	78.9 Å²	78.9	58%	0.578	40%	0.399	S	S	*	.			trans	-64.3	118.1	169.5	-174.8	-54.3	0	0	0	109.5	E69	N67-E69 PolarHBondContact ND2-OE1 3.49Å; N67-E69 VanDerWaalsContact OD1-CB 3.31Å; N67-E69 WeakPolarHBondContact OD1-CB 3.43Å; N67-E69 WeakPolarHBondContact OD1-CG 3.3Å; N67-E69 PolarHBondContact OD1-N 2.69Å
68	A	98	Very high	98.4	Very high	5 Å²	5	82.2 Å²	82.2	4%	0.041	42%	0.415	C	S	.	.			trans	-108.9	14.6	-177	0	0	0	0	0	113.3	L62 N63 Q66 A70 V71	L62-A68 HydrophobicContact CB-CB 4.32Å; L62-A68 HydrophobicContact CD2-CB 4.27Å; L62-A68 HydrophobicContact CG-CB 4.1Å; N63-A68 HydrophobicContact CB-CB 3.93Å; N63-A68 PolarHBondContact OD1-N 3.13Å; Q66-A68 PolarHBondContact O-N 2.67Å; Q66-A68 VanDerWaalsContact O-N 3.16Å; A68-A70 PolarHBondContact O-N 3.34Å; A68-V71 HydrophobicContact CB-CG2 4.11Å; A68-V71 VanDerWaalsContact O-CB 3.32Å; A68-V71 WeakPolarHBondContact O-CB 3.26Å; A68-V71 WeakPolarHBondContact O-CG2 3.44Å; A68-V71 PolarHBondContact O-N 3.31Å
69	E	98	Very high	98.4	Very high	160 Å²	160	85 Å²	85	75%	0.748	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-23.1	-176.6	-67.6	173.7	-134.3	0	0	113.3	N67 V71	N67-E69 PolarHBondContact ND2-OE1 3.49Å; N67-E69 VanDerWaalsContact OD1-CB 3.31Å; N67-E69 WeakPolarHBondContact OD1-CB 3.43Å; N67-E69 WeakPolarHBondContact OD1-CG 3.3Å; N67-E69 PolarHBondContact OD1-N 2.69Å; E69-V71 VanDerWaalsContact C-N 3.29Å
70	A	97.6	Very high	98.4	Very high	85 Å²	85	83 Å²	83	70%	0.702	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-11.1	174.7	0	0	0	0	0	113.6	A68 H72	A68-A70 PolarHBondContact O-N 3.34Å; A70-H72 PolarHBondContact O-CD2 3.48Å; A70-H72 PolarHBondContact O-N 3.02Å
71	V	98.5	Very high	98.4	Very high	41 Å²	41	81 Å²	81	25%	0.248	41%	0.405	C	S	.	.			trans	-74.2	122.9	-177	178.9	0	0	0	0	110	M59 L62 A68 E69 F74	M59-V71 VanDerWaalsContact CE-O 3.31Å; M59-V71 WeakPolarHBondContact CE-O 3.4Å; M59-V71 HydrophobicContact CG-CB 4.35Å; M59-V71 HydrophobicContact CG-CG1 3.87Å; M59-V71 HydrophobicContact SD-CG1 4.44Å; L62-V71 HydrophobicContact CD2-CG2 4.01Å; A68-V71 HydrophobicContact CB-CG2 4.11Å; A68-V71 VanDerWaalsContact O-CB 3.32Å; A68-V71 WeakPolarHBondContact O-CB 3.26Å; A68-V71 WeakPolarHBondContact O-CG2 3.44Å; A68-V71 PolarHBondContact O-N 3.31Å; E69-V71 VanDerWaalsContact C-N 3.29Å; V71-F74 HydrophobicContact CG1-CD2 4.22Å; V71-F74 HydrophobicContact CG1-CE2 3.95Å
72	H	98.4	Very high	98.3	Very high	98 Å²	98	76.8 Å²	76.8	45%	0.454	39%	0.386	S	S	.	.			trans	-78.5	-46.8	179.3	-69.7	-172.8	0	0	0	112.7	A70	A70-H72 PolarHBondContact O-CD2 3.48Å; A70-H72 PolarHBondContact O-N 3.02Å
73	F	98.8	Very high	98.3	Very high	19 Å²	19	74.8 Å²	74.8	8%	0.083	38%	0.376	C	S	.	.			trans	-174.8	167.7	178.3	50.8	-92	0	0	0	108.6	V50 P51 L85 D87 M93 V463	V50-F73 HydrophobicContact CG1-CB 3.92Å; V50-F73 HydrophobicContact CG1-CD1 3.32Å; V50-F73 HydrophobicContact CG1-CE1 3.93Å; V50-F73 HydrophobicContact CG1-CG 3.71Å; P51-F73 HydrophobicContact CB-CB 4.14Å; F73-L85 HydrophobicContact CE2-CD2 3.86Å; F73-L85 HydrophobicContact CE2-CG 4.45Å; F73-L85 HydrophobicContact CZ-CD2 3.96Å; F73-D87 HydrophobicContact CD2-CB 3.68Å; F73-D87 HydrophobicContact CE2-CB 4.11Å; F73-M93 HydrophobicContact CD2-CE 4.28Å; F73-M93 HydrophobicContact CE1-CE 4.25Å; F73-M93 HydrophobicContact CE1-SD 4.41Å; F73-M93 HydrophobicContact CE2-CE 3.6Å; F73-M93 HydrophobicContact CZ-CE 3.58Å; F73-M93 HydrophobicContact CZ-SD 4.15Å; F73-V463 HydrophobicContact CZ-CG2 4.23Å
74	F	98.8	Very high	98.3	Very high	54 Å²	54	70.9 Å²	70.9	24%	0.237	36%	0.355	C	S	.	.			trans	-94.1	142.8	176.6	-83.3	-107.2	0	0	0	110.9	S55 L58 M59 L62 V71 D87 V88	S55-F74 PolarHBondContact OG-N 3.38Å; L58-F74 VanDerWaalsContact C-CE2 3.46Å; L58-F74 HydrophobicContact CB-CB 4.47Å; L58-F74 HydrophobicContact CB-CD1 3.86Å; L58-F74 HydrophobicContact CB-CD2 3.51Å; L58-F74 HydrophobicContact CB-CE1 3.87Å; L58-F74 HydrophobicContact CB-CE2 3.54Å; L58-F74 HydrophobicContact CB-CG 3.67Å; L58-F74 HydrophobicContact CB-CZ 3.72Å; L58-F74 HydrophobicContact CD1-CB 3.7Å; L58-F74 HydrophobicContact CD1-CD1 3.7Å; L58-F74 HydrophobicContact CD1-CD2 4.31Å; L58-F74 HydrophobicContact CD1-CE1 4.4Å; L58-F74 HydrophobicContact CD1-CG 3.64Å; L58-F74 HydrophobicContact CG-CD1 4.36Å; L58-F74 HydrophobicContact CG-CG 4.32Å; M59-F74 HydrophobicContact CB-CE2 4.31Å; M59-F74 HydrophobicContact CG-CD2 3.94Å; M59-F74 HydrophobicContact CG-CE2 3.66Å; L62-F74 HydrophobicContact CB-CZ 4.11Å; L62-F74 HydrophobicContact CD2-CZ 3.86Å; V71-F74 HydrophobicContact CG1-CD2 4.22Å; V71-F74 HydrophobicContact CG1-CE2 3.95Å; F74-D87 WeakPolarHBondContact O-CA 3.35Å; F74-D87 VanDerWaalsContact O-CB 3.31Å; F74-D87 WeakPolarHBondContact O-CB 3.42Å; F74-V88 HydrophobicContact CB-CB 4.45Å; F74-V88 HydrophobicContact CB-CG1 3.84Å; F74-V88 HydrophobicContact CB-CG2 3.73Å; F74-V88 PolarHBondContact O-N 3.35Å
75	C	98.8	Very high	98.4	Very high	32 Å²	32	64.4 Å²	64.4	22%	0.216	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	148.1	-172.1	-58.3	0	0	0	0	112.2	Y77 L85	C75-Y77 HydrophobicContact CB-CD1 4.45Å; C75-Y77 HydrophobicContact CB-CD2 4.11Å; C75-Y77 HydrophobicContact CB-CE1 4.08Å; C75-Y77 HydrophobicContact CB-CE2 3.71Å; C75-Y77 HydrophobicContact CB-CG 4.47Å; C75-L85 HydrophobicContact CB-CD1 4.13Å
76	N	98.7	Very high	98.4	Very high	51 Å²	51	58.7 Å²	58.7	27%	0.273	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	95.2	163.6	-179.9	-17.9	0	0	0	107.8	E78 E79 S80 V86	N76-E78 VanDerWaalsContact C-N 3.35Å; N76-E78 PolarHBondContact OD1-N 3.49Å; N76-E78 PolarHBondContact OD1-OE2 3.07Å; N76-E79 PolarHBondContact OD1-N 3.31Å; N76-E79 VanDerWaalsContact OD1-N 3.16Å; N76-S80 PolarHBondContact O-N 2.92Å; N76-S80 PolarHBondContact O-OG 3.49Å; N76-V86 HydrophobicContact CB-CG1 4.33Å; N76-V86 PolarHBondContact N-O 3.3Å
77	Y	98.5	Very high	98.4	Very high	101 Å²	101	53.1 Å²	53.1	40%	0.396	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	-26.5	-174.7	-73	-67.8	0	0	0	112.5	C75 E79 S80 L85 Q99 Y107 S108	C75-Y77 HydrophobicContact CB-CD1 4.45Å; C75-Y77 HydrophobicContact CB-CD2 4.11Å; C75-Y77 HydrophobicContact CB-CE1 4.08Å; C75-Y77 HydrophobicContact CB-CE2 3.71Å; C75-Y77 HydrophobicContact CB-CG 4.47Å; Y77-E79 VanDerWaalsContact C-N 3.26Å; Y77-E79 PolarHBondContact O-N 3.08Å; Y77-S80 WeakPolarHBondContact O-CB 3.31Å; Y77-S80 PolarHBondContact O-N 3.3Å; Y77-S80 VanDerWaalsContact O-N 3.1Å; Y77-L85 HydrophobicContact CD1-CD1 4.04Å; Y77-L85 HydrophobicContact CE1-CD1 3.67Å; Y77-Q99 PolarHBondContact OH-OE1 3.49Å; Y77-Y107 HydrophobicContact CD1-CD1 4.17Å; Y77-Y107 HydrophobicContact CD1-CE1 4.17Å; Y77-Y107 HydrophobicContact CE1-CD1 4.4Å; Y77-Y107 AromaticContact CE1-CE1 3.94Å; Y77-Y107 HydrophobicContact CE1-CE1 3.94Å; Y77-S108 PolarHBondContact O-OG 2.84Å
78	E	98.1	Very high	98.5	Very high	152 Å²	152	50.3 Å²	50.3	71%	0.71	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61	-36.6	176.8	-65.7	73.6	-166.9	0	0	111.4	N76	N76-E78 VanDerWaalsContact C-N 3.35Å; N76-E78 PolarHBondContact OD1-N 3.49Å; N76-E78 PolarHBondContact OD1-OE2 3.07Å
79	E	98.2	Very high	98.5	Very high	87 Å²	87	51.3 Å²	51.3	41%	0.407	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	-6.5	175	-66.7	-60.1	158.4	0	0	113.8	Y41 N76 Y77 R81 V86	Y41-E79 PolarHBondContact OH-O 3.23Å; N76-E79 PolarHBondContact OD1-N 3.31Å; N76-E79 VanDerWaalsContact OD1-N 3.16Å; Y77-E79 VanDerWaalsContact C-N 3.26Å; Y77-E79 PolarHBondContact O-N 3.08Å; E79-R81 IonicContact OE2-NH2 2.89Å; E79-V86 HydrophobicContact CB-CB 4.21Å; E79-V86 HydrophobicContact CB-CG1 4.15Å; E79-V86 HydrophobicContact CB-CG2 4.24Å; E79-V86 WeakPolarHBondContact O-CG2 3.47Å
80	S	98.6	Very high	98.5	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	135	177.8	-61.6	0	0	0	0	110.6	N76 Y77 V86 S108	N76-S80 PolarHBondContact O-N 2.92Å; N76-S80 PolarHBondContact O-OG 3.49Å; Y77-S80 WeakPolarHBondContact O-CB 3.31Å; Y77-S80 PolarHBondContact O-N 3.3Å; Y77-S80 VanDerWaalsContact O-N 3.1Å; S80-V86 PolarHBondContact OG-N 3.16Å; S80-S108 WeakPolarHBondContact O-CB 3.41Å; S80-S108 PolarHBondContact O-OG 3.32Å
81	R	98.3	Very high	98.6	Very high	102 Å²	102	40.7 Å²	40.7	39%	0.385	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	143.3	-177.3	-55.5	-179.7	-162.9	176.1	6.2	110.9	F39 Y41 E79 N83 Y84 Y107	F39-R81 HydrophobicContact CE1-CB 4.33Å; F39-R81 HydrophobicContact CE2-CB 4.31Å; F39-R81 HydrophobicContact CE2-CG 4.3Å; F39-R81 HydrophobicContact CZ-CB 3.9Å; F39-R81 HydrophobicContact CZ-CG 4.22Å; Y41-R81 HydrophobicContact CD2-CB 4.06Å; Y41-R81 HydrophobicContact CE2-CB 3.66Å; Y41-R81 HydrophobicContact CE2-CG 3.82Å; Y41-R81 PolarHBondContact OH-NE 3.45Å; E79-R81 IonicContact OE2-NH2 2.89Å; R81-N83 PolarHBondContact O-N 3.38Å; R81-N83 VanDerWaalsContact O-N 3.17Å; R81-Y84 PolarHBondContact N-O 3.19Å; R81-Y84 PolarHBondContact O-N 3.2Å; R81-Y107 WeakPolarHBondContact CA-O 3.38Å
82	G	97.9	Very high	98.6	Very high	2 Å²	2	41.3 Å²	41.3	2%	0.021	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	52.6	-119.2	175.2	0	0	0	0	0	111.9	D40 G106 Y107	D40-G82 WeakPolarHBondContact OD1-CA 3.31Å; G82-G106 CarbonylContact O-C 3.48Å; G82-G106 WeakPolarHBondContact O-CA 3.39Å; G82-Y107 PolarHBondContact N-O 3.49Å; G82-Y107 VanDerWaalsContact N-O 3.1Å; G82-Y107 PolarHBondContact O-N 2.76Å
83	N	98.6	Very high	98.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	4.2	-179.7	-64.9	-78.8	0	0	0	114.2	D40 R81 L94 D95 T477 V479 F480 H484	D40-N83 PolarHBondContact OD1-N 2.9Å; D40-N83 VanDerWaalsContact OD1-N 3.13Å; D40-N83 PolarHBondContact OD2-N 3.16Å; D40-N83 PolarHBondContact OD2-ND2 3.4Å; R81-N83 PolarHBondContact O-N 3.38Å; R81-N83 VanDerWaalsContact O-N 3.17Å; N83-L94 HydrophobicContact CB-CD1 3.83Å; N83-D95 PolarHBondContact O-N 3.21Å; N83-T477 PolarHBondContact OD1-OG1 2.92Å; N83-V479 PolarHBondContact ND2-O 2.85Å; N83-F480 WeakPolarHBondContact OD1-CA 3.45Å; N83-F480 PolarHBondContact OD1-N 2.9Å; N83-H484 PolarHBondContact ND2-CE1 3.38Å
84	Y	98.8	Very high	98.6	Very high	1 Å²	1	35.8 Å²	35.8	0%	0.004	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	128.2	-175.4	-57.6	-95.3	0	0	0	113	D40 Y41 G43 R81 R92 M93 L94	D40-Y84 WeakPolarHBondContact OD1-CD2 3.37Å; D40-Y84 WeakPolarHBondContact OD1-CE2 3.39Å; Y41-Y84 HydrophobicContact CD2-CD2 4.09Å; Y41-Y84 HydrophobicContact CD2-CG 4.19Å; Y41-Y84 HydrophobicContact CG-CD2 4.4Å; Y41-Y84 WeakPolarHBondContact O-CE2 3.44Å; Y41-Y84 PolarHBondContact O-OH 2.77Å; G43-Y84 WeakPolarHBondContact CA-OH 3.46Å; G43-Y84 PolarHBondContact N-OH 3.45Å; R81-Y84 PolarHBondContact N-O 3.19Å; R81-Y84 PolarHBondContact O-N 3.2Å; Y84-R92 HydrophobicContact CD1-CG 4.06Å; Y84-R92 HydrophobicContact CG-CG 4.16Å; Y84-M93 CarbonylContact C-O 3.41Å; Y84-M93 WeakPolarHBondContact CA-O 3.46Å; Y84-L94 HydrophobicContact CD1-CB 4.28Å; Y84-L94 HydrophobicContact CE1-CB 4.01Å; Y84-L94 HydrophobicContact CE1-CD1 4.28Å
85	L	98.9	Very high	98.6	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.016	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	127.9	172.6	-174.5	64	0	0	0	109.1	F73 C75 Y77 M93 D95 Y107	F73-L85 HydrophobicContact CE2-CD2 3.86Å; F73-L85 HydrophobicContact CE2-CG 4.45Å; F73-L85 HydrophobicContact CZ-CD2 3.96Å; C75-L85 HydrophobicContact CB-CD1 4.13Å; Y77-L85 HydrophobicContact CD1-CD1 4.04Å; Y77-L85 HydrophobicContact CE1-CD1 3.67Å; L85-M93 PolarHBondContact N-O 3.2Å; L85-M93 PolarHBondContact O-N 2.95Å; L85-D95 HydrophobicContact CB-CB 4.11Å; L85-Y107 HydrophobicContact CB-CE2 4.15Å; L85-Y107 HydrophobicContact CD1-CE1 4.2Å; L85-Y107 HydrophobicContact CD1-CE2 4.23Å
86	V	98.9	Very high	98.6	Very high	14 Å²	14	31.8 Å²	31.8	9%	0.085	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	132.1	175.8	-178.3	0	0	0	0	109	N76 E79 S80 N91 R92	N76-V86 HydrophobicContact CB-CG1 4.33Å; N76-V86 PolarHBondContact N-O 3.3Å; E79-V86 HydrophobicContact CB-CB 4.21Å; E79-V86 HydrophobicContact CB-CG1 4.15Å; E79-V86 HydrophobicContact CB-CG2 4.24Å; E79-V86 WeakPolarHBondContact O-CG2 3.47Å; S80-V86 PolarHBondContact OG-N 3.16Å; V86-N91 CarbonylContact C-O 3.54Å; V86-N91 VanDerWaalsContact CA-O 3.28Å; V86-N91 WeakPolarHBondContact CA-O 3.35Å; V86-R92 HydrophobicContact CG2-CB 4.21Å; V86-R92 HydrophobicContact CG2-CG 4.07Å
87	D	98.9	Very high	98.7	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	171	173.7	79.2	4.7	0	0	0	112.5	F73 F74 D89 G90 N91 M93	F73-D87 HydrophobicContact CD2-CB 3.68Å; F73-D87 HydrophobicContact CE2-CB 4.11Å; F74-D87 WeakPolarHBondContact O-CA 3.35Å; F74-D87 VanDerWaalsContact O-CB 3.31Å; F74-D87 WeakPolarHBondContact O-CB 3.42Å; D87-D89 PolarHBondContact O-N 3.19Å; D87-D89 VanDerWaalsContact OD1-C 3.32Å; D87-D89 WeakPolarHBondContact OD1-CA 3.4Å; D87-D89 WeakPolarHBondContact OD1-CB 3.37Å; D87-D89 PolarHBondContact OD1-N 2.95Å; D87-G90 PolarHBondContact O-N 3.17Å; D87-G90 VanDerWaalsContact O-N 3.1Å; D87-G90 PolarHBondContact OD1-N 2.8Å; D87-N91 PolarHBondContact N-O 2.88Å; D87-N91 WeakPolarHBondContact OD1-CB 3.4Å; D87-N91 PolarHBondContact OD1-N 3.17Å; D87-N91 PolarHBondContact OD1-ND2 2.95Å; D87-N91 WeakPolarHBondContact OD2-CB 3.29Å; D87-N91 PolarHBondContact OD2-ND2 2.9Å; D87-M93 HydrophobicContact CB-CE 4.04Å
88	V	98.8	Very high	98.6	Very high	49 Å²	49	26.3 Å²	26.3	30%	0.297	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-10	179.3	-65.5	0	0	0	0	114	R54 S55 L58 F74 G90	R54-V88 HydrophobicContact CB-CG2 3.96Å; R54-V88 HydrophobicContact CG-CB 3.89Å; R54-V88 HydrophobicContact CG-CG2 3.66Å; S55-V88 VanDerWaalsContact OG-CG2 3.22Å; S55-V88 WeakPolarHBondContact OG-CG2 3.14Å; L58-V88 HydrophobicContact CD1-CB 4.48Å; L58-V88 HydrophobicContact CD1-CG1 4.18Å; L58-V88 HydrophobicContact CD1-CG2 4.07Å; F74-V88 HydrophobicContact CB-CB 4.45Å; F74-V88 HydrophobicContact CB-CG1 3.84Å; F74-V88 HydrophobicContact CB-CG2 3.73Å; F74-V88 PolarHBondContact O-N 3.35Å; V88-G90 VanDerWaalsContact C-N 3.35Å
89	D	98.8	Very high	98.7	Very high	26 Å²	26	22 Å²	22	14%	0.139	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-1	175.1	-64.1	-82.2	0	0	0	111.4	G52 P53 R54 S55 D87	G52-D89 VanDerWaalsContact C-OD1 3.26Å; G52-D89 VanDerWaalsContact CA-CG 3.44Å; G52-D89 WeakPolarHBondContact CA-OD2 3.34Å; P53-D89 WeakPolarHBondContact CD-OD1 3.3Å; P53-D89 VanDerWaalsContact N-OD1 3.16Å; R54-D89 WeakPolarHBondContact CA-OD1 3.24Å; R54-D89 WeakPolarHBondContact CB-OD1 3.28Å; R54-D89 PolarHBondContact N-OD1 3.1Å; S55-D89 VanDerWaalsContact CB-OD2 3.32Å; S55-D89 WeakPolarHBondContact CB-OD2 3.14Å; S55-D89 PolarHBondContact N-OD2 3.35Å; S55-D89 PolarHBondContact OG-OD2 2.9Å; D87-D89 PolarHBondContact O-N 3.19Å; D87-D89 VanDerWaalsContact OD1-C 3.32Å; D87-D89 WeakPolarHBondContact OD1-CA 3.4Å; D87-D89 WeakPolarHBondContact OD1-CB 3.37Å; D87-D89 PolarHBondContact OD1-N 2.95Å
90	G	98.6	Very high	98.7	Very high	22 Å²	22	21.6 Å²	21.6	23%	0.227	11%	0.106	C	C	.	.			trans	79.8	15.2	177.7	0	0	0	0	0	114	K47 D87 V88	K47-G90 WeakPolarHBondContact CD-O 3.35Å; K47-G90 WeakPolarHBondContact CE-O 3.39Å; D87-G90 PolarHBondContact O-N 3.17Å; D87-G90 VanDerWaalsContact O-N 3.1Å; D87-G90 PolarHBondContact OD1-N 2.8Å; V88-G90 VanDerWaalsContact C-N 3.35Å
91	N	98.9	Very high	98.7	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.106	C	C	.	.			trans	-72.4	136.2	167.1	-57.9	-61.1	0	0	0	109.2	M46 K47 T48 V50 V86 D87 M93	M46-N91 HydrophobicContact CE-CB 3.77Å; M46-N91 HydrophobicContact SD-CB 4.11Å; K47-N91 PolarHBondContact N-OD1 3.38Å; T48-N91 PolarHBondContact N-OD1 3.42Å; T48-N91 PolarHBondContact O-OD1 3.05Å; T48-N91 PolarHBondContact OG1-ND2 2.76Å; V50-N91 HydrophobicContact CG2-CB 4.43Å; V86-N91 CarbonylContact C-O 3.54Å; V86-N91 VanDerWaalsContact CA-O 3.28Å; V86-N91 WeakPolarHBondContact CA-O 3.35Å; D87-N91 PolarHBondContact N-O 2.88Å; D87-N91 WeakPolarHBondContact OD1-CB 3.4Å; D87-N91 PolarHBondContact OD1-N 3.17Å; D87-N91 PolarHBondContact OD1-ND2 2.95Å; D87-N91 WeakPolarHBondContact OD2-CB 3.29Å; D87-N91 PolarHBondContact OD2-ND2 2.9Å; N91-M93 HydrophobicContact CB-CE 4.37Å
92	R	98.8	Very high	98.7	Very high	54 Å²	54	18.7 Å²	18.7	20%	0.204	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	119.4	173.7	-178.3	173.9	65.3	-133.5	2.6	109.3	Y41 G43 P44 L45 Y84 V86	Y41-R92 VanDerWaalsContact CD2-CD 3.46Å; Y41-R92 VanDerWaalsContact CG-CD 3.44Å; G43-R92 PolarHBondContact O-NE 3.06Å; G43-R92 PolarHBondContact O-NH2 3.14Å; G43-R92 VanDerWaalsContact O-NH2 3.11Å; P44-R92 CarbonylContact C-O 3.41Å; P44-R92 WeakPolarHBondContact CA-O 3.46Å; P44-R92 VanDerWaalsContact CB-O 3.31Å; P44-R92 WeakPolarHBondContact CB-O 3.43Å; L45-R92 HydrophobicContact CB-CB 4.23Å; L45-R92 PolarHBondContact N-O 2.82Å; L45-R92 PolarHBondContact O-N 3.05Å; Y84-R92 HydrophobicContact CD1-CG 4.06Å; Y84-R92 HydrophobicContact CG-CG 4.16Å; V86-R92 HydrophobicContact CG2-CB 4.21Å; V86-R92 HydrophobicContact CG2-CG 4.07Å
93	M	98.9	Very high	98.7	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	139.6	-174.5	-62.4	163.6	-84.3	0	0	111	M46 V50 F73 Y84 L85 D87 N91 D95 R458 G461 V463	M46-M93 HydrophobicContact CE-CG 3.99Å; M46-M93 HydrophobicContact CE-SD 4.38Å; M46-M93 HydrophobicContact SD-CG 3.79Å; V50-M93 HydrophobicContact CG1-SD 4.47Å; V50-M93 HydrophobicContact CG2-SD 4.13Å; F73-M93 HydrophobicContact CD2-CE 4.28Å; F73-M93 HydrophobicContact CE1-CE 4.25Å; F73-M93 HydrophobicContact CE1-SD 4.41Å; F73-M93 HydrophobicContact CE2-CE 3.6Å; F73-M93 HydrophobicContact CZ-CE 3.58Å; F73-M93 HydrophobicContact CZ-SD 4.15Å; Y84-M93 CarbonylContact C-O 3.41Å; Y84-M93 WeakPolarHBondContact CA-O 3.46Å; L85-M93 PolarHBondContact N-O 3.2Å; L85-M93 PolarHBondContact O-N 2.95Å; D87-M93 HydrophobicContact CB-CE 4.04Å; N91-M93 HydrophobicContact CB-CE 4.37Å; M93-D95 PolarHBondContact O-N 2.95Å; M93-R458 HydrophobicContact SD-CG 3.93Å; M93-G461 CarbonylContact C-O 3.23Å; M93-G461 VanDerWaalsContact CA-O 3.28Å; M93-G461 WeakPolarHBondContact CA-O 3.31Å; M93-V463 HydrophobicContact CB-CG2 3.8Å; M93-V463 HydrophobicContact CG-CG2 4.43Å; M93-V463 HydrophobicContact SD-CG2 3.89Å
94	L	98.9	Very high	98.7	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	115.9	167.1	175.4	64.1	0	0	0	108.8	N83 Y84 L96 G461 V462 V463 H484 L487 F488	N83-L94 HydrophobicContact CB-CD1 3.83Å; Y84-L94 HydrophobicContact CD1-CB 4.28Å; Y84-L94 HydrophobicContact CE1-CB 4.01Å; Y84-L94 HydrophobicContact CE1-CD1 4.28Å; L94-L96 HydrophobicContact CD1-CD2 4.18Å; L94-L96 HydrophobicContact CD2-CD1 4.41Å; L94-L96 HydrophobicContact CD2-CD2 4.09Å; L94-L96 HydrophobicContact CD2-CG 4.35Å; L94-L96 HydrophobicContact CG-CD2 3.87Å; L94-L96 HydrophobicContact CG-CG 4.15Å; L94-G461 PolarHBondContact N-O 3.28Å; L94-V462 HydrophobicContact CB-CG2 4.44Å; L94-V462 CarbonylContact O-C 3.49Å; L94-V462 WeakPolarHBondContact O-CA 3.43Å; L94-V463 PolarHBondContact O-N 2.97Å; L94-H484 HydrophobicContact CD1-CB 4.37Å; L94-L487 HydrophobicContact CD2-CD2 4.26Å; L94-L487 HydrophobicContact CD2-CG 4.47Å; L94-F488 HydrophobicContact CD2-CB 4.21Å
95	D	98.9	Very high	98.7	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.011	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	104.7	-177	-173.3	7.1	0	0	0	112	N83 L85 M93 Y97 S98 Y107	N83-D95 PolarHBondContact O-N 3.21Å; L85-D95 HydrophobicContact CB-CB 4.11Å; M93-D95 PolarHBondContact O-N 2.95Å; D95-Y97 WeakPolarHBondContact OD1-CA 3.36Å; D95-Y97 WeakPolarHBondContact OD1-CB 3.39Å; D95-Y97 PolarHBondContact OD1-N 2.74Å; D95-S98 VanDerWaalsContact CG-N 3.31Å; D95-S98 PolarHBondContact OD1-N 2.99Å; D95-S98 WeakPolarHBondContact OD2-CA 3.16Å; D95-S98 PolarHBondContact OD2-N 2.88Å; D95-S98 VanDerWaalsContact OD2-N 3.17Å; D95-Y107 HydrophobicContact CB-CE2 4.23Å; D95-Y107 PolarHBondContact OD2-OH 3.23Å
96	L	98.9	Very high	98.7	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.111	C	C	.	.	S	Bend	trans	-101.8	18.6	173.9	-50.8	-177.5	0	0	0	112.2	L94 V462 V463 L464 F474 R475 P476 F480 F488	L94-L96 HydrophobicContact CD1-CD2 4.18Å; L94-L96 HydrophobicContact CD2-CD1 4.41Å; L94-L96 HydrophobicContact CD2-CD2 4.09Å; L94-L96 HydrophobicContact CD2-CG 4.35Å; L94-L96 HydrophobicContact CG-CD2 3.87Å; L94-L96 HydrophobicContact CG-CG 4.15Å; L96-V462 HydrophobicContact CD1-CG1 3.8Å; L96-V462 HydrophobicContact CG-CG1 4.1Å; L96-V463 WeakPolarHBondContact CA-O 3.02Å; L96-V463 WeakPolarHBondContact CB-O 3.21Å; L96-V463 PolarHBondContact N-O 3.49Å; L96-L464 HydrophobicContact CB-CD2 4.19Å; L96-L464 HydrophobicContact CD1-CD2 4.02Å; L96-F474 HydrophobicContact CB-CD1 4.35Å; L96-F474 HydrophobicContact CD1-CD1 3.98Å; L96-F474 HydrophobicContact CD1-CE1 4.18Å; L96-R475 CarbonylContact C-O 3.35Å; L96-R475 CarbonylContact O-C 3.51Å; L96-R475 VanDerWaalsContact O-C 3.28Å; L96-R475 WeakPolarHBondContact O-CA 3.32Å; L96-R475 PolarHBondContact O-N 2.87Å; L96-P476 HydrophobicContact CD2-CB 4.18Å; L96-P476 HydrophobicContact CD2-CG 4.12Å; L96-F480 HydrophobicContact CD2-CD2 3.71Å; L96-F480 HydrophobicContact CD2-CE2 3.46Å; L96-F480 VanDerWaalsContact CD2-CE2 3.46Å; L96-F480 HydrophobicContact CD2-CZ 4.45Å; L96-F488 HydrophobicContact CD1-CB 3.91Å; L96-F488 HydrophobicContact CD1-CD1 4.38Å; L96-F488 HydrophobicContact CD1-CD2 3.88Å; L96-F488 HydrophobicContact CD1-CG 3.75Å
97	Y	98.8	Very high	98.7	Very high	38 Å²	38	20 Å²	20	15%	0.149	11%	0.109	C	C	.	.	S	Bend	trans	-118.1	-26	175.5	-168.1	-134.1	0	0	0	113.3	D95 Q99 I100 S101 R473 R475	D95-Y97 WeakPolarHBondContact OD1-CA 3.36Å; D95-Y97 WeakPolarHBondContact OD1-CB 3.39Å; D95-Y97 PolarHBondContact OD1-N 2.74Å; Y97-Q99 VanDerWaalsContact C-N 3.35Å; Y97-Q99 PolarHBondContact O-N 2.94Å; Y97-I100 HydrophobicContact CE1-CB 4.45Å; Y97-I100 HydrophobicContact CE1-CG1 3.7Å; Y97-I100 HydrophobicContact CE2-CG2 4.49Å; Y97-I100 PolarHBondContact O-N 3.39Å; Y97-I100 VanDerWaalsContact O-N 3.07Å; Y97-S101 PolarHBondContact O-N 3.45Å; Y97-R473 PolarHBondContact OH-NH2 2.9Å; Y97-R475 CarbonylContact C-O 3.59Å
98	S	98.2	Very high	98.6	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	49.3	47.8	170.3	67.1	0	0	0	0	114.5	D95 I100 S101 S102 V103 R475	D95-S98 VanDerWaalsContact CG-N 3.31Å; D95-S98 PolarHBondContact OD1-N 2.99Å; D95-S98 WeakPolarHBondContact OD2-CA 3.16Å; D95-S98 PolarHBondContact OD2-N 2.88Å; D95-S98 VanDerWaalsContact OD2-N 3.17Å; S98-I100 PolarHBondContact O-N 3.31Å; S98-S101 PolarHBondContact O-N 3.39Å; S98-S101 WeakPolarHBondContact OG-CA 3.25Å; S98-S102 PolarHBondContact O-N 3.39Å; S98-V103 PolarHBondContact O-N 2.88Å; S98-V103 VanDerWaalsContact O-N 3.11Å; S98-R475 VanDerWaalsContact CB-O 3.28Å; S98-R475 WeakPolarHBondContact CB-O 3.46Å; S98-R475 PolarHBondContact OG-O 3.28Å
99	Q	98.4	Very high	98.6	Very high	62 Å²	62	20.3 Å²	20.3	29%	0.29	11%	0.111	S	C	.	.	H	α-helix	trans	54	53.2	-176.6	-51	-57.6	-46.4	0	0	111.9	Y77 Y97 S102 V103 Y107	Y77-Q99 PolarHBondContact OH-OE1 3.49Å; Y97-Q99 VanDerWaalsContact C-N 3.35Å; Y97-Q99 PolarHBondContact O-N 2.94Å; Q99-S102 WeakPolarHBondContact CB-OG 3.27Å; Q99-S102 WeakPolarHBondContact O-CB 3.44Å; Q99-S102 PolarHBondContact O-OG 3.28Å; Q99-V103 HydrophobicContact CB-CG2 4.08Å; Q99-V103 HydrophobicContact CG-CG2 3.76Å; Q99-Y107 HydrophobicContact CG-CE1 4.27Å; Q99-Y107 WeakPolarHBondContact CG-OH 3.16Å; Q99-Y107 PolarHBondContact NE2-OH 3.26Å
100	I	98.3	Very high	98.5	Very high	78 Å²	78	21.9 Å²	21.9	40%	0.4	12%	0.123	S	C	.	.	H	α-helix	trans	61.5	52.1	-177.5	-37.7	177.6	0	0	0	110.9	Y97 S98 S102 K357	Y97-I100 HydrophobicContact CE1-CB 4.45Å; Y97-I100 HydrophobicContact CE1-CG1 3.7Å; Y97-I100 HydrophobicContact CE2-CG2 4.49Å; Y97-I100 PolarHBondContact O-N 3.39Å; Y97-I100 VanDerWaalsContact O-N 3.07Å; S98-I100 PolarHBondContact O-N 3.31Å; I100-S102 VanDerWaalsContact C-N 3.29Å; I100-S102 PolarHBondContact O-N 2.57Å; I100-K357 VanDerWaalsContact O-CD 3.26Å; I100-K357 WeakPolarHBondContact O-CD 3.45Å; I100-K357 WeakPolarHBondContact O-CE 3.49Å
101	S	98.6	Very high	98.4	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	60.2	30.7	179	-159.2	0	0	0	0	113.9	Y97 S98 K358	Y97-S101 PolarHBondContact O-N 3.45Å; S98-S101 PolarHBondContact O-N 3.39Å; S98-S101 WeakPolarHBondContact OG-CA 3.25Å; S101-K358 VanDerWaalsContact O-CG 3.29Å; S101-K358 WeakPolarHBondContact O-CG 3.37Å; S101-K358 PolarHBondContact O-NZ 3.18Å; S101-K358 VanDerWaalsContact O-NZ 3.09Å; S101-K358 PolarHBondContact OG-NZ 2.78Å
102	S	98.8	Very high	98.4	Very high	40 Å²	40	23 Å²	23	28%	0.28	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-18.2	-174.4	69.9	0	0	0	0	115.5	S98 Q99 I100 P104	S98-S102 PolarHBondContact O-N 3.39Å; Q99-S102 WeakPolarHBondContact CB-OG 3.27Å; Q99-S102 WeakPolarHBondContact O-CB 3.44Å; Q99-S102 PolarHBondContact O-OG 3.28Å; I100-S102 VanDerWaalsContact C-N 3.29Å; I100-S102 PolarHBondContact O-N 2.57Å; S102-P104 WeakPolarHBondContact O-CD 3.26Å
103	V	98.8	Very high	98.3	Very high	21 Å²	21	24 Å²	24	13%	0.127	14%	0.136	C	C	.	.			trans	-84.1	115.9	174.2	-177.9	0	0	0	0	109.4	S98 Q99 Y107 T477	S98-V103 PolarHBondContact O-N 2.88Å; S98-V103 VanDerWaalsContact O-N 3.11Å; Q99-V103 HydrophobicContact CB-CG2 4.08Å; Q99-V103 HydrophobicContact CG-CG2 3.76Å; V103-Y107 HydrophobicContact CG1-CE1 4.48Å; V103-Y107 HydrophobicContact CG2-CE1 3.81Å; V103-T477 HydrophobicContact CB-CG2 4.25Å; V103-T477 HydrophobicContact CG1-CG2 4.1Å
104	P	98.6	Very high	98.2	Very high	7 Å²	7	30.6 Å²	30.6	5%	0.045	16%	0.164	C	C	.	.	S	Bend	trans	-78.3	-53.7	-173.9	27.9	-32	0	0	0	112.9	S102 K358 M360 V395 L478	S102-P104 WeakPolarHBondContact O-CD 3.26Å; P104-K358 HydrophobicContact CB-CB 4.19Å; P104-K358 HydrophobicContact CB-CG 4.4Å; P104-M360 HydrophobicContact CG-SD 3.71Å; P104-V395 HydrophobicContact CB-CG1 3.65Å; P104-V395 HydrophobicContact CG-CB 4.49Å; P104-V395 HydrophobicContact CG-CG1 3.73Å; P104-V395 HydrophobicContact CG-CG2 3.86Å; P104-L478 VanDerWaalsContact O-CB 3.24Å; P104-L478 WeakPolarHBondContact O-CB 3.39Å; P104-L478 WeakPolarHBondContact O-CG 3.42Å; P104-L478 PolarHBondContact O-N 3.22Å
105	I	98.5	Very high	98.2	Very high	1 Å²	1	32 Å²	32	1%	0.005	17%	0.171	C	C	.	.	S	Bend	trans	-121.1	29.9	-167.9	58.1	171.1	0	0	0	113.3	H109 L112 V395 I398 I399 L404 V479	I105-H109 HydrophobicContact CD1-CB 4.11Å; I105-H109 HydrophobicContact CG1-CB 4.2Å; I105-H109 PolarHBondContact O-CD2 2.7Å; I105-H109 VanDerWaalsContact O-CD2 3.31Å; I105-L112 HydrophobicContact CD1-CD1 4.16Å; I105-L112 HydrophobicContact CD1-CD2 4.44Å; I105-L112 HydrophobicContact CD1-CG 4.2Å; I105-L112 HydrophobicContact CG1-CD1 4.35Å; I105-V395 HydrophobicContact CD1-CB 4.49Å; I105-V395 HydrophobicContact CD1-CG2 3.92Å; I105-V395 HydrophobicContact CG1-CG2 4.17Å; I105-V395 HydrophobicContact CG2-CG1 4.22Å; I105-I398 HydrophobicContact CD1-CB 4.25Å; I105-I398 HydrophobicContact CD1-CG1 4.09Å; I105-I398 HydrophobicContact CD1-CG2 4.28Å; I105-I398 HydrophobicContact CG2-CG2 4.16Å; I105-I399 HydrophobicContact CG2-CG1 4.27Å; I105-L404 HydrophobicContact CG2-CD1 3.94Å; I105-V479 HydrophobicContact CB-CG1 4.24Å
106	G	98.3	Very high	98	Very high	6 Å²	6	36.3 Å²	36.3	6%	0.062	19%	0.194	C	C	.	.			trans	85.9	166.2	-179.8	0	0	0	0	0	114.5	G82	G82-G106 CarbonylContact O-C 3.48Å; G82-G106 WeakPolarHBondContact O-CA 3.39Å
107	Y	98.6	Very high	97.9	Very high	13 Å²	13	43.3 Å²	43.3	5%	0.051	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-71.9	144.1	179.7	-64.8	-70.6	0	0	0	111.7	F39 Y77 R81 G82 L85 D95 Q99 V103 H109	F39-Y107 WeakPolarHBondContact CE1-O 3.33Å; F39-Y107 WeakPolarHBondContact CZ-O 3.09Å; Y77-Y107 HydrophobicContact CD1-CD1 4.17Å; Y77-Y107 HydrophobicContact CD1-CE1 4.17Å; Y77-Y107 HydrophobicContact CE1-CD1 4.4Å; Y77-Y107 AromaticContact CE1-CE1 3.94Å; Y77-Y107 HydrophobicContact CE1-CE1 3.94Å; R81-Y107 WeakPolarHBondContact CA-O 3.38Å; G82-Y107 PolarHBondContact N-O 3.49Å; G82-Y107 VanDerWaalsContact N-O 3.1Å; G82-Y107 PolarHBondContact O-N 2.76Å; L85-Y107 HydrophobicContact CB-CE2 4.15Å; L85-Y107 HydrophobicContact CD1-CE1 4.2Å; L85-Y107 HydrophobicContact CD1-CE2 4.23Å; D95-Y107 HydrophobicContact CB-CE2 4.23Å; D95-Y107 PolarHBondContact OD2-OH 3.23Å; Q99-Y107 HydrophobicContact CG-CE1 4.27Å; Q99-Y107 WeakPolarHBondContact CG-OH 3.16Å; Q99-Y107 PolarHBondContact NE2-OH 3.26Å; V103-Y107 HydrophobicContact CG1-CE1 4.48Å; V103-Y107 HydrophobicContact CG2-CE1 3.81Å; Y107-H109 PolarHBondContact O-N 2.93Å
108	S	97.6	Very high	97.9	Very high	38 Å²	38	44.6 Å²	44.6	27%	0.266	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	26.9	171.8	-57.5	0	0	0	0	116	F39 Y77 S80 L113	F39-S108 WeakPolarHBondContact CE2-O 3.31Å; F39-S108 WeakPolarHBondContact CZ-O 3.35Å; Y77-S108 PolarHBondContact O-OG 2.84Å; S80-S108 WeakPolarHBondContact O-CB 3.41Å; S80-S108 PolarHBondContact O-OG 3.32Å; S108-L113 WeakPolarHBondContact O-CD1 3.42Å
109	H	98	Very high	97.8	Very high	18 Å²	18	49.7 Å²	49.7	8%	0.083	27%	0.267	C	S	.	.			trans	-50.3	130.2	-173.7	-171	-80.9	0	0	0	112.6	F39 I105 Y107 A111 L112 L113	F39-H109 HydrophobicContact CE1-CB 4.42Å; I105-H109 HydrophobicContact CD1-CB 4.11Å; I105-H109 HydrophobicContact CG1-CB 4.2Å; I105-H109 PolarHBondContact O-CD2 2.7Å; I105-H109 VanDerWaalsContact O-CD2 3.31Å; Y107-H109 PolarHBondContact O-N 2.93Å; H109-A111 VanDerWaalsContact C-N 3.27Å; H109-A111 WeakPolarHBondContact ND1-CB 3.36Å; H109-A111 PolarHBondContact ND1-N 3.1Å; H109-A111 PolarHBondContact O-N 3.21Å; H109-A111 VanDerWaalsContact O-N 3.14Å; H109-L112 HydrophobicContact CB-CD1 4.32Å; H109-L112 HydrophobicContact CB-CG 4.22Å; H109-L112 WeakPolarHBondContact O-CB 3.4Å; H109-L112 PolarHBondContact O-N 3.47Å; H109-L113 PolarHBondContact O-N 3.04Å; H109-L113 VanDerWaalsContact O-N 3.09Å
110	P	96.9	Very high	97.7	Very high	60 Å²	60	52.9 Å²	52.9	39%	0.39	28%	0.282	S	S	.	.	H	α-helix	trans	-58.8	-36.5	-169.5	-28	36.4	0	0	0	113.5	F39 L112 L113 K114	F39-P110 HydrophobicContact CB-CG 3.98Å; F39-P110 HydrophobicContact CD1-CG 4.21Å; F39-P110 HydrophobicContact CD2-CG 3.18Å; F39-P110 HydrophobicContact CE2-CG 3.72Å; F39-P110 HydrophobicContact CG-CG 3.48Å; F39-P110 VanDerWaalsContact CG-CG 3.48Å; F39-P110 HydrophobicContact CZ-CG 4.45Å; P110-L112 VanDerWaalsContact C-N 3.3Å; P110-L112 PolarHBondContact O-N 3.4Å; P110-L113 PolarHBondContact O-N 3.06Å; P110-K114 VanDerWaalsContact O-CB 3.32Å; P110-K114 WeakPolarHBondContact O-CB 3.48Å; P110-K114 PolarHBondContact O-N 3.42Å
111	A	97.4	Very high	97.6	Very high	19 Å²	19	50 Å²	50	16%	0.157	27%	0.267	C	S	.	.	H	α-helix	trans	-62.6	-36.9	176.7	0	0	0	0	0	112.5	H109 L115 E394 I398	H109-A111 VanDerWaalsContact C-N 3.27Å; H109-A111 WeakPolarHBondContact ND1-CB 3.36Å; H109-A111 PolarHBondContact ND1-N 3.1Å; H109-A111 PolarHBondContact O-N 3.21Å; H109-A111 VanDerWaalsContact O-N 3.14Å; A111-L115 PolarHBondContact O-N 3.29Å; A111-L115 VanDerWaalsContact O-N 3.08Å; A111-E394 HydrophobicContact CB-CG 3.85Å; A111-I398 HydrophobicContact CB-CD1 4.07Å; A111-I398 HydrophobicContact CB-CG1 4.4Å
112	L	98.1	Very high	97.6	Very high	25 Å²	25	52.7 Å²	52.7	13%	0.131	29%	0.289	C	S	.	.	H	α-helix	trans	-75.1	-39.1	177.9	-57.7	-174.3	0	0	0	111.3	I105 H109 P110 K114 L115 I116 L391 E394 V395	I105-L112 HydrophobicContact CD1-CD1 4.16Å; I105-L112 HydrophobicContact CD1-CD2 4.44Å; I105-L112 HydrophobicContact CD1-CG 4.2Å; I105-L112 HydrophobicContact CG1-CD1 4.35Å; H109-L112 HydrophobicContact CB-CD1 4.32Å; H109-L112 HydrophobicContact CB-CG 4.22Å; H109-L112 WeakPolarHBondContact O-CB 3.4Å; H109-L112 PolarHBondContact O-N 3.47Å; P110-L112 VanDerWaalsContact C-N 3.3Å; P110-L112 PolarHBondContact O-N 3.4Å; L112-K114 VanDerWaalsContact C-N 3.32Å; L112-K114 PolarHBondContact O-N 2.9Å; L112-L115 HydrophobicContact CD2-CD1 4.26Å; L112-L115 WeakPolarHBondContact O-CB 3.4Å; L112-L115 PolarHBondContact O-N 3.22Å; L112-I116 WeakPolarHBondContact O-CG1 3.43Å; L112-I116 PolarHBondContact O-N 2.9Å; L112-I116 VanDerWaalsContact O-N 3.13Å; L112-L391 HydrophobicContact CB-CD2 4.48Å; L112-L391 HydrophobicContact CD2-CD2 4.25Å; L112-E394 HydrophobicContact CD2-CB 4.14Å; L112-E394 HydrophobicContact CD2-CG 4.24Å; L112-V395 HydrophobicContact CD1-CG2 4.31Å; L112-V395 HydrophobicContact CD2-CG2 4.11Å
113	L	97.1	Very high	97.5	Very high	77 Å²	77	54 Å²	54	40%	0.403	30%	0.298	S	S	.	.	H	α-helix	trans	-60.6	-44.1	172.2	-65.6	179.9	0	0	0	111.1	S108 H109 P110 L115 I116 Q117	S108-L113 WeakPolarHBondContact O-CD1 3.42Å; H109-L113 PolarHBondContact O-N 3.04Å; H109-L113 VanDerWaalsContact O-N 3.09Å; P110-L113 PolarHBondContact O-N 3.06Å; L113-L115 VanDerWaalsContact C-N 3.3Å; L113-L115 PolarHBondContact O-N 3.18Å; L113-I116 PolarHBondContact O-N 3.07Å; L113-I116 VanDerWaalsContact O-N 3.14Å; L113-Q117 VanDerWaalsContact O-CG 3.31Å; L113-Q117 WeakPolarHBondContact O-CG 3.38Å; L113-Q117 PolarHBondContact O-N 2.93Å
114	K	97.6	Very high	97.3	Very high	138 Å²	138	54.3 Å²	54.3	60%	0.6	30%	0.299	S	S	*	.	H	α-helix	trans	-59.5	-40.4	176.1	-174.4	176.6	-178.8	178.5	0	111.7	P110 L112 Q117 Q118	P110-K114 VanDerWaalsContact O-CB 3.32Å; P110-K114 WeakPolarHBondContact O-CB 3.48Å; P110-K114 PolarHBondContact O-N 3.42Å; L112-K114 VanDerWaalsContact C-N 3.32Å; L112-K114 PolarHBondContact O-N 2.9Å; K114-Q117 PolarHBondContact O-N 3Å; K114-Q118 WeakPolarHBondContact O-CG 3.45Å; K114-Q118 PolarHBondContact O-N 2.77Å; K114-Q118 PolarHBondContact O-NE2 3.14Å
115	L	97.1	Very high	97.3	Very high	29 Å²	29	57.9 Å²	57.9	15%	0.152	31%	0.314	C	S	.	.	H	α-helix	trans	-60.4	-43.7	174.6	-81.1	-178.7	0	0	0	112.4	A111 L112 L113 Q117 Q118 N121 L390 L391 E394	A111-L115 PolarHBondContact O-N 3.29Å; A111-L115 VanDerWaalsContact O-N 3.08Å; L112-L115 HydrophobicContact CD2-CD1 4.26Å; L112-L115 WeakPolarHBondContact O-CB 3.4Å; L112-L115 PolarHBondContact O-N 3.22Å; L113-L115 VanDerWaalsContact C-N 3.3Å; L113-L115 PolarHBondContact O-N 3.18Å; L115-Q117 VanDerWaalsContact C-N 3.32Å; L115-Q118 WeakPolarHBondContact O-CB 3.41Å; L115-Q118 PolarHBondContact O-N 3.15Å; L115-N121 PolarHBondContact O-ND2 3Å; L115-L390 HydrophobicContact CD1-CG 4.42Å; L115-L390 HydrophobicContact CD2-CD1 4.33Å; L115-L391 HydrophobicContact CD1-CD2 4.36Å; L115-E394 HydrophobicContact CD1-CB 3.44Å; L115-E394 VanDerWaalsContact CD1-CB 3.44Å; L115-E394 HydrophobicContact CD1-CG 3.99Å; L115-E394 HydrophobicContact CG-CB 4.31Å; L115-E394 HydrophobicContact CG-CG 4.41Å
116	I	95.9	Very high	97.2	Very high	93 Å²	93	63.1 Å²	63.1	48%	0.477	35%	0.345	S	S	.	.	H	α-helix	trans	-67.7	-35.7	-179	-66	166.9	0	0	0	110.9	L112 L113 Q118 F125	L112-I116 WeakPolarHBondContact O-CG1 3.43Å; L112-I116 PolarHBondContact O-N 2.9Å; L112-I116 VanDerWaalsContact O-N 3.13Å; L113-I116 PolarHBondContact O-N 3.07Å; L113-I116 VanDerWaalsContact O-N 3.14Å; I116-Q118 PolarHBondContact O-N 3.24Å; I116-F125 HydrophobicContact CG1-CZ 4.02Å
117	Q	97.3	Very high	97.2	Very high	146 Å²	146	67.9 Å²	67.9	68%	0.682	37%	0.369	S	S	*	.	H	α-helix	trans	-72.2	-13.6	179.5	-70.6	169.5	-2.8	0	0	114.2	L113 K114 L115 P119	L113-Q117 VanDerWaalsContact O-CG 3.31Å; L113-Q117 WeakPolarHBondContact O-CG 3.38Å; L113-Q117 PolarHBondContact O-N 2.93Å; K114-Q117 PolarHBondContact O-N 3Å; L115-Q117 VanDerWaalsContact C-N 3.32Å; Q117-P119 WeakPolarHBondContact O-CD 2.95Å
118	Q	97.2	Very high	97.2	Very high	65 Å²	65	71.8 Å²	71.8	30%	0.304	38%	0.384	S	S	.	.			trans	-71.6	118.8	178.2	-70.9	-47.1	-66.4	0	0	111.3	K114 L115 I116 Q120 N121	K114-Q118 WeakPolarHBondContact O-CG 3.45Å; K114-Q118 PolarHBondContact O-N 2.77Å; K114-Q118 PolarHBondContact O-NE2 3.14Å; L115-Q118 WeakPolarHBondContact O-CB 3.41Å; L115-Q118 PolarHBondContact O-N 3.15Å; I116-Q118 PolarHBondContact O-N 3.24Å; Q118-Q120 HydrophobicContact CB-CG 4.41Å; Q118-Q120 PolarHBondContact O-N 2.63Å; Q118-Q120 VanDerWaalsContact O-N 3.16Å; Q118-N121 HydrophobicContact CB-CB 4.39Å; Q118-N121 PolarHBondContact O-N 3.2Å
119	P	97.1	Very high	97.3	Very high	108 Å²	108	71.2 Å²	71.2	70%	0.701	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-56.7	-35.1	-178.4	-27	36	0	0	0	114	Q117 N121 A122	Q117-P119 WeakPolarHBondContact O-CD 2.95Å; P119-N121 PolarHBondContact O-N 3.13Å; P119-N121 VanDerWaalsContact O-N 3.17Å; P119-A122 WeakPolarHBondContact O-CB 3.34Å; P119-A122 PolarHBondContact O-N 2.98Å
120	Q	95.6	Very high	97.3	Very high	129 Å²	129	71.6 Å²	71.6	60%	0.603	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-63.1	-20.4	178.4	66.8	-84.7	20.9	0	0	113.9	Q118	Q118-Q120 HydrophobicContact CB-CG 4.41Å; Q118-Q120 PolarHBondContact O-N 2.63Å; Q118-Q120 VanDerWaalsContact O-N 3.16Å
121	N	97.3	Very high	97.4	Very high	17 Å²	17	69.2 Å²	69.2	9%	0.091	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-88.6	-12.7	-179.7	-68.3	-21.7	0	0	0	112.9	L115 Q118 P119 S123 M124 F125 L390	L115-N121 PolarHBondContact O-ND2 3Å; Q118-N121 HydrophobicContact CB-CB 4.39Å; Q118-N121 PolarHBondContact O-N 3.2Å; P119-N121 PolarHBondContact O-N 3.13Å; P119-N121 VanDerWaalsContact O-N 3.17Å; N121-S123 VanDerWaalsContact C-N 3.28Å; N121-S123 PolarHBondContact O-N 3.44Å; N121-M124 WeakPolarHBondContact O-CB 3.24Å; N121-M124 PolarHBondContact O-N 3.48Å; N121-F125 HydrophobicContact CB-CE2 4.16Å; N121-F125 VanDerWaalsContact O-CD2 3.29Å; N121-F125 WeakPolarHBondContact O-CD2 3.31Å; N121-L390 HydrophobicContact CB-CD2 3.83Å
122	A	96.9	Very high	97.4	Very high	56 Å²	56	70.1 Å²	70.1	46%	0.463	38%	0.381	S	S	.	.	H	α-helix	trans	-53.8	-43.4	-174	0	0	0	0	0	112.8	P119 M124 F125 V126	P119-A122 WeakPolarHBondContact O-CB 3.34Å; P119-A122 PolarHBondContact O-N 2.98Å; A122-M124 PolarHBondContact O-N 3.22Å; A122-F125 PolarHBondContact O-N 3.02Å; A122-F125 VanDerWaalsContact O-N 3.1Å; A122-V126 PolarHBondContact O-N 2.97Å
123	S	97.3	Very high	97.5	Very high	67 Å²	67	73.4 Å²	73.4	47%	0.469	40%	0.398	S	S	.	.	H	α-helix	trans	-58.6	-32.7	179.8	-177	0	0	0	0	113.1	N121 F125 V126 N127	N121-S123 VanDerWaalsContact C-N 3.28Å; N121-S123 PolarHBondContact O-N 3.44Å; S123-F125 PolarHBondContact O-N 3.3Å; S123-V126 PolarHBondContact O-N 2.88Å; S123-N127 WeakPolarHBondContact O-CB 3.46Å; S123-N127 PolarHBondContact O-N 3.4Å; S123-N127 PolarHBondContact OG-ND2 3.38Å
124	M	95.6	Very high	97.5	Very high	28 Å²	28	75.5 Å²	75.5	14%	0.138	41%	0.409	C	S	.	.	H	α-helix	trans	-67.4	-25.5	-179.7	-67.9	-169.3	174.8	0	0	113.3	N121 A122 N138 L390	N121-M124 WeakPolarHBondContact O-CB 3.24Å; N121-M124 PolarHBondContact O-N 3.48Å; A122-M124 PolarHBondContact O-N 3.22Å; M124-N138 WeakPolarHBondContact CE-ND2 3.27Å; M124-L390 HydrophobicContact SD-CB 3.85Å; M124-L390 HydrophobicContact SD-CD1 4.21Å; M124-L390 HydrophobicContact SD-CD2 3.79Å; M124-L390 HydrophobicContact SD-CG 4.16Å
125	F	97	Very high	97.6	Very high	82 Å²	82	72.3 Å²	72.3	36%	0.36	40%	0.402	S	S	.	.	H	α-helix	trans	-88.7	-24.1	-177.9	-64.8	-77.6	0	0	0	113	I116 N121 A122 S123 L390	I116-F125 HydrophobicContact CG1-CZ 4.02Å; N121-F125 HydrophobicContact CB-CE2 4.16Å; N121-F125 VanDerWaalsContact O-CD2 3.29Å; N121-F125 WeakPolarHBondContact O-CD2 3.31Å; A122-F125 PolarHBondContact O-N 3.02Å; A122-F125 VanDerWaalsContact O-N 3.1Å; S123-F125 PolarHBondContact O-N 3.3Å; F125-L390 HydrophobicContact CE2-CD2 4.04Å; F125-L390 HydrophobicContact CZ-CD2 4Å
126	V	97.9	Very high	97.6	Very high	111 Å²	111	73 Å²	73	67%	0.673	41%	0.408	S	S	*	.	H	α-helix	trans	-108.7	-23.4	-175.9	-58.2	0	0	0	0	113.7	A122 S123	A122-V126 PolarHBondContact O-N 2.97Å; S123-V126 PolarHBondContact O-N 2.88Å
127	N	98.4	Very high	97.8	Very high	106 Å²	106	78.5 Å²	78.5	57%	0.567	43%	0.432	S	S	*	.			trans	-109.8	78.3	-179.8	-63.1	-42.8	0	0	0	110.6	S123 P129	S123-N127 WeakPolarHBondContact O-CB 3.46Å; S123-N127 PolarHBondContact O-N 3.4Å; S123-N127 PolarHBondContact OG-ND2 3.38Å; N127-P129 VanDerWaalsContact O-CD 3.26Å; N127-P129 WeakPolarHBondContact O-CD 3.4Å
128	R	98.6	Very high	97.8	Very high	96 Å²	96	74.5 Å²	74.5	36%	0.362	42%	0.415	S	S	.	.			trans	-78	113.3	179.8	-169.4	177.4	-175.4	-178.2	2.6	110.9	W382 G384	R128-W382 VanDerWaalsContact CZ-CE3 3.44Å; R128-W382 VanDerWaalsContact NH1-CE3 3.34Å; R128-G384 PolarHBondContact NH2-O 3.27Å
129	P	98.4	Very high	97.9	Very high	26 Å²	26	73 Å²	73	17%	0.169	41%	0.408	C	S	.	.			trans	-82.6	159.4	-174.7	31.7	-32.2	0	0	0	112.6	N127 L131 L134 P386	N127-P129 VanDerWaalsContact O-CD 3.26Å; N127-P129 WeakPolarHBondContact O-CD 3.4Å; P129-L131 VanDerWaalsContact C-N 3.35Å; P129-L131 HydrophobicContact CG-CD2 3.81Å; P129-L131 HydrophobicContact CG-CG 4.1Å; P129-L131 PolarHBondContact O-N 2.94Å; P129-L131 VanDerWaalsContact O-N 3.13Å; P129-L134 VanDerWaalsContact CB-O 3.25Å; P129-L134 WeakPolarHBondContact CB-O 3.31Å; P129-P386 HydrophobicContact CG-CG 3.63Å
130	A	98.7	Very high	97.9	Very high	26 Å²	26	71.5 Å²	71.5	22%	0.215	40%	0.396	C	S	.	.			trans	-78.4	86.2	159.9	0	0	0	0	0	109.6	G132 I133 L134 T381	A130-G132 PolarHBondContact O-N 2.77Å; A130-I133 HydrophobicContact CB-CD1 3.94Å; A130-I133 HydrophobicContact CB-CG1 3.7Å; A130-I133 WeakPolarHBondContact O-CG1 3.49Å; A130-I133 PolarHBondContact O-N 2.98Å; A130-L134 PolarHBondContact O-N 2.9Å; A130-T381 WeakPolarHBondContact CA-O 3.42Å; A130-T381 WeakPolarHBondContact CB-O 3.29Å
131	L	98.7	Very high	98.1	Very high	10 Å²	10	69.2 Å²	69.2	5%	0.052	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-30.1	-165.7	-84.6	179.5	0	0	0	115.1	P129 I133 P135 F139 W382 L383 P386	P129-L131 VanDerWaalsContact C-N 3.35Å; P129-L131 HydrophobicContact CG-CD2 3.81Å; P129-L131 HydrophobicContact CG-CG 4.1Å; P129-L131 PolarHBondContact O-N 2.94Å; P129-L131 VanDerWaalsContact O-N 3.13Å; L131-I133 PolarHBondContact O-N 3.11Å; L131-P135 HydrophobicContact CD2-CB 4.32Å; L131-F139 HydrophobicContact CD1-CE2 3.71Å; L131-F139 HydrophobicContact CD1-CZ 4.09Å; L131-F139 HydrophobicContact CD2-CD2 3.68Å; L131-F139 HydrophobicContact CD2-CE2 3.59Å; L131-F139 HydrophobicContact CD2-CG 4.24Å; L131-F139 HydrophobicContact CD2-CZ 4.09Å; L131-F139 HydrophobicContact CG-CE2 4.27Å; L131-W382 WeakPolarHBondContact CB-O 3.5Å; L131-W382 WeakPolarHBondContact CD1-O 3.46Å; L131-L383 HydrophobicContact CB-CB 4.18Å; L131-P386 HydrophobicContact CD1-CG 4.39Å; L131-P386 HydrophobicContact CD2-CG 3.97Å; L131-P386 HydrophobicContact CG-CG 4.39Å
132	G	98.4	Very high	98.1	Very high	38 Å²	38	70.1 Å²	70.1	39%	0.392	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-9.9	-179.2	0	0	0	0	0	114.8	A130	A130-G132 PolarHBondContact O-N 2.77Å
133	I	98.5	Very high	98.2	Very high	93 Å²	93	68.3 Å²	68.3	48%	0.477	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.5	-31.3	179.9	52.7	168.6	0	0	0	113.7	A130 L131 Y376 F379	A130-I133 HydrophobicContact CB-CD1 3.94Å; A130-I133 HydrophobicContact CB-CG1 3.7Å; A130-I133 WeakPolarHBondContact O-CG1 3.49Å; A130-I133 PolarHBondContact O-N 2.98Å; L131-I133 PolarHBondContact O-N 3.11Å; I133-Y376 HydrophobicContact CG2-CE1 4.47Å; I133-F379 HydrophobicContact CG2-CE2 4.27Å; I133-F379 HydrophobicContact CG2-CZ 4.01Å
134	L	98.6	Very high	98.3	Very high	122 Å²	122	71.6 Å²	71.6	64%	0.639	37%	0.373	S	S	*	.	S	Bend	trans	-133.8	60.2	-174.7	-64.4	170.2	0	0	0	110.6	P129 A130	P129-L134 VanDerWaalsContact CB-O 3.25Å; P129-L134 WeakPolarHBondContact CB-O 3.31Å; A130-L134 PolarHBondContact O-N 2.9Å
135	P	98.8	Very high	98.4	Very high	70 Å²	70	74.3 Å²	74.3	46%	0.455	39%	0.386	S	S	.	.			trans	-65.6	146.5	178.2	29.7	-35	0	0	0	111	L131 F139	L131-P135 HydrophobicContact CD2-CB 4.32Å; P135-F139 HydrophobicContact CB-CB 4.05Å; P135-F139 HydrophobicContact CB-CD1 3.98Å; P135-F139 HydrophobicContact CB-CG 4.11Å
136	P	98.4	Very high	98.5	Very high	44 Å²	44	70.4 Å²	70.4	29%	0.286	37%	0.368	S	S	.	.			trans	-68.1	156.2	174.2	29.7	-33.6	0	0	0	110.5	N138 F139 P386	P136-N138 PolarHBondContact O-N 2.99Å; P136-N138 VanDerWaalsContact O-N 3.11Å; P136-F139 HydrophobicContact CG-CB 4.03Å; P136-F139 VanDerWaalsContact O-CB 3.24Å; P136-F139 WeakPolarHBondContact O-CB 3.4Å; P136-F139 PolarHBondContact O-N 3.34Å; P136-P386 HydrophobicContact CG-CB 4.41Å; P136-P386 HydrophobicContact CG-CG 4.16Å
137	E	98.4	Very high	98.6	Very high	208 Å²	208	65.1 Å²	65.1	97%	0.972	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.9	-42.8	-176.8	-177.9	179.2	-168	0	0	113.4	F139	E137-F139 PolarHBondContact O-N 3.35Å
138	N	97.9	Very high	98.6	Very high	63 Å²	63	63.2 Å²	63.2	34%	0.337	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	11.1	-176.2	67.1	-0.5	0	0	0	114.8	M124 P136 V140 E141 K142	M124-N138 WeakPolarHBondContact CE-ND2 3.27Å; P136-N138 PolarHBondContact O-N 2.99Å; P136-N138 VanDerWaalsContact O-N 3.11Å; N138-V140 PolarHBondContact O-N 2.67Å; N138-E141 PolarHBondContact O-N 2.61Å; N138-K142 WeakPolarHBondContact O-CB 3.3Å; N138-K142 PolarHBondContact O-N 2.97Å
139	F	98.7	Very high	98.6	Very high	34 Å²	34	60.9 Å²	60.9	15%	0.149	33%	0.325	C	S	.	.	H	α-helix	trans	-56	-52	-174.3	-177.6	-119.6	0	0	0	112.4	L131 P135 P136 E137 E141 K142 L143	L131-F139 HydrophobicContact CD1-CE2 3.71Å; L131-F139 HydrophobicContact CD1-CZ 4.09Å; L131-F139 HydrophobicContact CD2-CD2 3.68Å; L131-F139 HydrophobicContact CD2-CE2 3.59Å; L131-F139 HydrophobicContact CD2-CG 4.24Å; L131-F139 HydrophobicContact CD2-CZ 4.09Å; L131-F139 HydrophobicContact CG-CE2 4.27Å; P135-F139 HydrophobicContact CB-CB 4.05Å; P135-F139 HydrophobicContact CB-CD1 3.98Å; P135-F139 HydrophobicContact CB-CG 4.11Å; P136-F139 HydrophobicContact CG-CB 4.03Å; P136-F139 VanDerWaalsContact O-CB 3.24Å; P136-F139 WeakPolarHBondContact O-CB 3.4Å; P136-F139 PolarHBondContact O-N 3.34Å; E137-F139 PolarHBondContact O-N 3.35Å; F139-E141 PolarHBondContact O-N 3.06Å; F139-K142 PolarHBondContact O-N 3.32Å; F139-L143 HydrophobicContact CD1-CD1 4.12Å; F139-L143 HydrophobicContact CE1-CD1 3.67Å; F139-L143 HydrophobicContact CE2-CD1 4.3Å; F139-L143 HydrophobicContact CE2-CD2 4.47Å; F139-L143 HydrophobicContact CE2-CG 4.39Å; F139-L143 HydrophobicContact CZ-CD1 3.77Å; F139-L143 HydrophobicContact CZ-CD2 4.49Å; F139-L143 HydrophobicContact CZ-CG 4.34Å; F139-L143 WeakPolarHBondContact O-CG 3.49Å; F139-L143 PolarHBondContact O-N 3.35Å
140	V	98.6	Very high	98.6	Very high	75 Å²	75	60.5 Å²	60.5	46%	0.455	32%	0.321	S	S	.	.	H	α-helix	trans	-64.3	-42.5	-178.1	-177.6	0	0	0	0	111.1	N138 K142 L143 R144	N138-V140 PolarHBondContact O-N 2.67Å; V140-K142 VanDerWaalsContact C-N 3.33Å; V140-K142 PolarHBondContact O-N 3.2Å; V140-L143 WeakPolarHBondContact O-CB 3.47Å; V140-L143 PolarHBondContact O-N 3.26Å; V140-R144 WeakPolarHBondContact O-CG 3.38Å; V140-R144 PolarHBondContact O-N 3.2Å
141	E	98.6	Very high	98.6	Very high	82 Å²	82	61.4 Å²	61.4	38%	0.383	33%	0.329	S	S	.	.	H	α-helix	trans	-65.4	-39.1	179.2	-176.1	51.1	-147.6	0	0	111.6	N138 F139 L143 R144 Q145	N138-E141 PolarHBondContact O-N 2.61Å; F139-E141 PolarHBondContact O-N 3.06Å; E141-L143 VanDerWaalsContact C-N 3.3Å; E141-L143 PolarHBondContact O-N 3.2Å; E141-R144 WeakPolarHBondContact O-CB 3.49Å; E141-R144 PolarHBondContact O-N 2.95Å; E141-R144 VanDerWaalsContact O-N 3.15Å; E141-R144 IonicContact OE2-CZ 2.72Å; E141-R144 IonicContact OE2-NH1 3.35Å; E141-R144 PolarHBondContact OE2-NH1 3.43Å; E141-Q145 WeakPolarHBondContact O-CG 3.47Å; E141-Q145 PolarHBondContact O-N 3Å; E141-Q145 PolarHBondContact OE1-NE2 2.74Å
142	K	98.6	Very high	98.6	Very high	36 Å²	36	61.3 Å²	61.3	16%	0.157	33%	0.329	C	S	.	.	H	α-helix	trans	-66.5	-33.2	175	-164.1	57	59.6	-173.4	0	112.2	N138 F139 V140 S146 N389 A393	N138-K142 WeakPolarHBondContact O-CB 3.3Å; N138-K142 PolarHBondContact O-N 2.97Å; F139-K142 PolarHBondContact O-N 3.32Å; V140-K142 VanDerWaalsContact C-N 3.33Å; V140-K142 PolarHBondContact O-N 3.2Å; K142-S146 WeakPolarHBondContact O-CB 3.46Å; K142-S146 PolarHBondContact O-N 3.43Å; K142-S146 VanDerWaalsContact O-N 3.14Å; K142-S146 PolarHBondContact O-OG 3.4Å; K142-N389 HydrophobicContact CG-CB 3.92Å; K142-A393 HydrophobicContact CD-CB 3.57Å
143	L	98.8	Very high	98.6	Very high	17 Å²	17	65.2 Å²	65.2	9%	0.089	34%	0.335	C	S	.	.	H	α-helix	trans	-65.8	-39.4	171	-67.8	177.9	0	0	0	112	F139 V140 E141 S146 L147 L148 L158 T160	F139-L143 HydrophobicContact CD1-CD1 4.12Å; F139-L143 HydrophobicContact CE1-CD1 3.67Å; F139-L143 HydrophobicContact CE2-CD1 4.3Å; F139-L143 HydrophobicContact CE2-CD2 4.47Å; F139-L143 HydrophobicContact CE2-CG 4.39Å; F139-L143 HydrophobicContact CZ-CD1 3.77Å; F139-L143 HydrophobicContact CZ-CD2 4.49Å; F139-L143 HydrophobicContact CZ-CG 4.34Å; F139-L143 WeakPolarHBondContact O-CG 3.49Å; F139-L143 PolarHBondContact O-N 3.35Å; V140-L143 WeakPolarHBondContact O-CB 3.47Å; V140-L143 PolarHBondContact O-N 3.26Å; E141-L143 VanDerWaalsContact C-N 3.3Å; E141-L143 PolarHBondContact O-N 3.2Å; L143-S146 CarbonylContact O-C 3.52Å; L143-S146 PolarHBondContact O-N 3.48Å; L143-L147 HydrophobicContact CD2-CD1 3.99Å; L143-L147 PolarHBondContact O-N 2.84Å; L143-L148 HydrophobicContact CB-CD1 4.02Å; L143-L148 HydrophobicContact CB-CG 4.25Å; L143-L148 PolarHBondContact O-N 3Å; L143-L158 HydrophobicContact CD1-CD2 4.49Å; L143-L158 HydrophobicContact CD2-CD2 4.12Å; L143-T160 HydrophobicContact CD2-CG2 4.05Å
144	R	98.8	Very high	98.6	Very high	136 Å²	136	63.4 Å²	63.4	51%	0.513	34%	0.34	S	S	.	.	H	α-helix	trans	-60.6	-44.6	174	-69.3	-171.8	-165.1	109.6	0.5	112.4	V140 E141 S146 L148 S149	V140-R144 WeakPolarHBondContact O-CG 3.38Å; V140-R144 PolarHBondContact O-N 3.2Å; E141-R144 WeakPolarHBondContact O-CB 3.49Å; E141-R144 PolarHBondContact O-N 2.95Å; E141-R144 VanDerWaalsContact O-N 3.15Å; E141-R144 IonicContact OE2-CZ 2.72Å; E141-R144 IonicContact OE2-NH1 3.35Å; E141-R144 PolarHBondContact OE2-NH1 3.43Å; R144-S146 PolarHBondContact O-N 2.82Å; R144-L148 HydrophobicContact CG-CD1 4.08Å; R144-S149 WeakPolarHBondContact O-CB 3.43Å; R144-S149 PolarHBondContact O-N 3.35Å
145	Q	98.5	Very high	98.6	Very high	85 Å²	85	57.9 Å²	57.9	40%	0.397	31%	0.31	S	S	.	.	H	α-helix	trans	-70.7	-18	178.9	-66.9	170.5	4.3	0	0	113.3	E141 A393	E141-Q145 WeakPolarHBondContact O-CG 3.47Å; E141-Q145 PolarHBondContact O-N 3Å; E141-Q145 PolarHBondContact OE1-NE2 2.74Å; Q145-A393 HydrophobicContact CB-CB 4.15Å
146	S	98.8	Very high	98.6	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.9	-103.6	-177.7	60.4	0	0	0	0	111.6	K142 L143 R144 L148 S149 I396	K142-S146 WeakPolarHBondContact O-CB 3.46Å; K142-S146 PolarHBondContact O-N 3.43Å; K142-S146 VanDerWaalsContact O-N 3.14Å; K142-S146 PolarHBondContact O-OG 3.4Å; L143-S146 CarbonylContact O-C 3.52Å; L143-S146 PolarHBondContact O-N 3.48Å; R144-S146 PolarHBondContact O-N 2.82Å; S146-L148 PolarHBondContact O-N 3.13Å; S146-S149 WeakPolarHBondContact O-CB 3.15Å; S146-S149 PolarHBondContact O-N 3.29Å; S146-S149 VanDerWaalsContact O-N 3.1Å; S146-S149 PolarHBondContact O-OG 3.09Å; S146-I396 WeakPolarHBondContact O-CD1 3.48Å
147	L	98.8	Very high	98.7	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-56.4	-48.1	-170	-69.7	170.7	0	0	0	112.9	L143 S149 V150 A151 L158 T160 F355 M359 T361 F365 L392	L143-L147 HydrophobicContact CD2-CD1 3.99Å; L143-L147 PolarHBondContact O-N 2.84Å; L147-S149 PolarHBondContact O-N 3.5Å; L147-V150 CarbonylContact O-C 3.58Å; L147-V150 WeakPolarHBondContact O-CG2 3.43Å; L147-V150 PolarHBondContact O-N 3.47Å; L147-A151 PolarHBondContact O-N 3.11Å; L147-L158 HydrophobicContact CB-CD2 3.64Å; L147-L158 HydrophobicContact CD1-CD1 4.24Å; L147-L158 HydrophobicContact CD1-CD2 3.93Å; L147-L158 HydrophobicContact CG-CD2 4.43Å; L147-T160 HydrophobicContact CD1-CG2 3.85Å; L147-F355 HydrophobicContact CD1-CE2 4.08Å; L147-F355 HydrophobicContact CD1-CZ 3.91Å; L147-F355 HydrophobicContact CD2-CD2 4.19Å; L147-F355 HydrophobicContact CD2-CE1 4.4Å; L147-F355 HydrophobicContact CD2-CE2 3.45Å; L147-F355 VanDerWaalsContact CD2-CE2 3.45Å; L147-F355 HydrophobicContact CD2-CZ 3.58Å; L147-F355 HydrophobicContact CG-CE2 4.44Å; L147-F355 HydrophobicContact CG-CZ 4.35Å; L147-M359 HydrophobicContact CD2-CE 3.73Å; L147-T361 HydrophobicContact CD1-CG2 4.02Å; L147-F365 HydrophobicContact CB-CZ 3.89Å; L147-F365 HydrophobicContact CD2-CZ 4.48Å; L147-F365 VanDerWaalsContact O-CZ 3.25Å; L147-F365 WeakPolarHBondContact O-CZ 3.25Å; L147-L392 HydrophobicContact CD1-CD2 4.48Å; L147-L392 HydrophobicContact CD2-CD2 3.55Å; L147-L392 HydrophobicContact CG-CD2 3.68Å
148	L	98.8	Very high	98.7	Very high	67 Å²	67	49.2 Å²	49.2	35%	0.351	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-67.9	-21.4	-177.4	-59.4	173.1	0	0	0	112.4	L143 R144 S146 V150 A151 L158 F365	L143-L148 HydrophobicContact CB-CD1 4.02Å; L143-L148 HydrophobicContact CB-CG 4.25Å; L143-L148 PolarHBondContact O-N 3Å; R144-L148 HydrophobicContact CG-CD1 4.08Å; S146-L148 PolarHBondContact O-N 3.13Å; L148-V150 PolarHBondContact O-N 3.49Å; L148-A151 PolarHBondContact O-N 3.48Å; L148-L158 HydrophobicContact CD2-CB 4.06Å; L148-L158 HydrophobicContact CD2-CD2 3.76Å; L148-L158 HydrophobicContact CG-CD2 4.13Å; L148-F365 HydrophobicContact CD2-CE1 4.37Å
149	S	98.8	Very high	98.7	Very high	47 Å²	47	48 Å²	48	33%	0.329	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-73.7	-4.9	174.9	82.8	0	0	0	0	114.2	R144 S146 L147 K400	R144-S149 WeakPolarHBondContact O-CB 3.43Å; R144-S149 PolarHBondContact O-N 3.35Å; S146-S149 WeakPolarHBondContact O-CB 3.15Å; S146-S149 PolarHBondContact O-N 3.29Å; S146-S149 VanDerWaalsContact O-N 3.1Å; S146-S149 PolarHBondContact O-OG 3.09Å; L147-S149 PolarHBondContact O-N 3.5Å; S149-K400 PolarHBondContact O-NZ 3.48Å; S149-K400 PolarHBondContact OG-NZ 3.17Å
150	V	98.8	Very high	98.8	Very high	17 Å²	17	46.8 Å²	46.8	10%	0.103	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-134.2	27.5	179.3	-63.7	0	0	0	0	110.3	L147 L148 F338 W339 I396	L147-V150 CarbonylContact O-C 3.58Å; L147-V150 WeakPolarHBondContact O-CG2 3.43Å; L147-V150 PolarHBondContact O-N 3.47Å; L148-V150 PolarHBondContact O-N 3.49Å; V150-F338 HydrophobicContact CB-CD1 3.98Å; V150-F338 HydrophobicContact CB-CE1 3.86Å; V150-F338 HydrophobicContact CB-CE2 4.4Å; V150-F338 HydrophobicContact CB-CG 4.31Å; V150-F338 HydrophobicContact CB-CZ 4.08Å; V150-F338 HydrophobicContact CG1-CD1 4.3Å; V150-F338 HydrophobicContact CG1-CD2 3.94Å; V150-F338 HydrophobicContact CG1-CE1 4.16Å; V150-F338 HydrophobicContact CG1-CE2 3.78Å; V150-F338 HydrophobicContact CG1-CG 4.2Å; V150-F338 HydrophobicContact CG1-CZ 3.9Å; V150-F338 HydrophobicContact CG2-CD1 4.27Å; V150-F338 HydrophobicContact CG2-CE1 3.65Å; V150-F338 HydrophobicContact CG2-CZ 3.81Å; V150-W339 HydrophobicContact CG2-CZ2 4.14Å; V150-W339 PolarHBondContact O-NE1 2.88Å; V150-I396 HydrophobicContact CG1-CD1 4.45Å; V150-I396 HydrophobicContact CG1-CG2 4.2Å; V150-I396 HydrophobicContact CG2-CD1 4.03Å
151	A	98.8	Very high	98.8	Very high	46 Å²	46	43.2 Å²	43.2	38%	0.38	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-60.8	132.3	178.7	0	0	0	0	0	111.2	L147 L148 F365	L147-A151 PolarHBondContact O-N 3.11Å; L148-A151 PolarHBondContact O-N 3.48Å; A151-F365 HydrophobicContact CB-CD1 4.29Å; A151-F365 HydrophobicContact CB-CE1 3.97Å
152	P	98.8	Very high	98.8	Very high	8 Å²	8	41.8 Å²	41.8	5%	0.052	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-61.5	154.9	173.7	-22.7	33.7	0	0	0	112.6	G154 M155 M353 F365	P152-G154 PolarHBondContact O-N 3.49Å; P152-M155 HydrophobicContact CB-CG 4.36Å; P152-M155 HydrophobicContact CB-SD 3.92Å; P152-M155 HydrophobicContact CG-SD 4.05Å; P152-M155 PolarHBondContact O-N 2.89Å; P152-M353 HydrophobicContact CG-CE 3.61Å; P152-M353 HydrophobicContact CG-SD 3.66Å; P152-F365 HydrophobicContact CG-CB 4.27Å; P152-F365 HydrophobicContact CG-CD2 4.14Å; P152-F365 HydrophobicContact CG-CG 4.26Å
153	K	98.7	Very high	98.8	Very high	119 Å²	119	42.6 Å²	42.6	52%	0.517	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	135.4	176.8	-71.7	-172.7	175.7	-176.7	0	111.3	M155 D347	K153-M155 PolarHBondContact O-N 3.25Å; K153-D347 IonicContact NZ-OD1 3.73Å; K153-D347 PolarHBondContact NZ-OD1 3.12Å
154	G	98.5	Very high	98.8	Very high	55 Å²	55	42.3 Å²	42.3	57%	0.567	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.5	-6	177.6	0	0	0	0	0	115.8	P152	P152-G154 PolarHBondContact O-N 3.49Å
155	M	98.8	Very high	98.8	Very high	6 Å²	6	37.2 Å²	37.2	3%	0.03	23%	0.234	C	C	.	.			trans	-105.5	95.7	-176.7	-60	-175	-172.4	0	0	111.9	P152 K153 A350 M353 F365 H366	P152-M155 HydrophobicContact CB-CG 4.36Å; P152-M155 HydrophobicContact CB-SD 3.92Å; P152-M155 HydrophobicContact CG-SD 4.05Å; P152-M155 PolarHBondContact O-N 2.89Å; K153-M155 PolarHBondContact O-N 3.25Å; M155-A350 VanDerWaalsContact CE-C 3.47Å; M155-A350 HydrophobicContact CE-CB 3.5Å; M155-A350 VanDerWaalsContact CE-O 3.24Å; M155-A350 WeakPolarHBondContact CE-O 3.33Å; M155-M353 HydrophobicContact CE-CB 3.98Å; M155-M353 HydrophobicContact SD-CB 3.95Å; M155-F365 HydrophobicContact CB-CB 3.94Å; M155-F365 HydrophobicContact CG-CB 4.46Å; M155-F365 HydrophobicContact SD-CB 3.65Å; M155-H366 CarbonylContact C-O 3.59Å; M155-H366 WeakPolarHBondContact CA-O 3.23Å
156	S	98.6	Very high	98.8	Very high	71 Å²	71	34.6 Å²	34.6	50%	0.497	23%	0.225	S	C	.	.			trans	-84.8	-14.5	-179.4	66	0	0	0	0	114.1	H366	S156-H366 PolarHBondContact N-O 2.8Å
157	Q	98.9	Very high	98.8	Very high	34 Å²	34	34.6 Å²	34.6	16%	0.159	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	150.2	-174.4	-52.2	-62.2	-77.3	0	0	111.4	F365 H366 E368	Q157-F365 VanDerWaalsContact O-CA 3.27Å; Q157-F365 WeakPolarHBondContact O-CA 3.18Å; Q157-H366 WeakPolarHBondContact CB-CE1 3.39Å; Q157-H366 WeakPolarHBondContact CB-ND1 3.42Å; Q157-H366 WeakPolarHBondContact CB-NE2 3.37Å; Q157-H366 WeakPolarHBondContact CB-O 3.17Å; Q157-H366 PolarHBondContact N-O 2.76Å; Q157-H366 PolarHBondContact O-N 2.86Å; Q157-E368 HydrophobicContact CG-CB 4.47Å
158	L	98.9	Very high	98.8	Very high	35 Å²	35	34.7 Å²	34.7	18%	0.183	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	132.5	-179.3	169.3	63.5	0	0	0	110	L143 L147 L148 F355 F365	L143-L158 HydrophobicContact CD1-CD2 4.49Å; L143-L158 HydrophobicContact CD2-CD2 4.12Å; L147-L158 HydrophobicContact CB-CD2 3.64Å; L147-L158 HydrophobicContact CD1-CD1 4.24Å; L147-L158 HydrophobicContact CD1-CD2 3.93Å; L147-L158 HydrophobicContact CG-CD2 4.43Å; L148-L158 HydrophobicContact CD2-CB 4.06Å; L148-L158 HydrophobicContact CD2-CD2 3.76Å; L148-L158 HydrophobicContact CG-CD2 4.13Å; L158-F355 HydrophobicContact CD1-CE1 3.97Å; L158-F355 HydrophobicContact CD1-CZ 3.77Å; L158-F365 HydrophobicContact CB-CD1 4.07Å; L158-F365 HydrophobicContact CB-CE1 4.09Å; L158-F365 HydrophobicContact CD1-CD1 4.08Å; L158-F365 HydrophobicContact CD1-CE1 3.9Å; L158-F365 HydrophobicContact CD1-CE2 4.35Å; L158-F365 HydrophobicContact CD1-CG 4.39Å; L158-F365 HydrophobicContact CD1-CZ 4.03Å; L158-F365 HydrophobicContact CD2-CE1 4.15Å; L158-F365 HydrophobicContact CD2-CZ 4.46Å; L158-F365 HydrophobicContact CG-CE1 4.26Å
159	I	98.9	Very high	98.8	Very high	37 Å²	37	33.6 Å²	33.6	19%	0.19	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	128.5	167	-60.9	178.7	0	0	0	108.8	M161 G363 F364 I378 L383	I159-M161 HydrophobicContact CG2-CE 3.87Å; I159-G363 CarbonylContact O-C 3.55Å; I159-G363 WeakPolarHBondContact O-CA 3.37Å; I159-F364 HydrophobicContact CB-CE1 4Å; I159-F364 HydrophobicContact CB-CE2 4.15Å; I159-F364 HydrophobicContact CB-CZ 3.77Å; I159-F364 HydrophobicContact CD1-CE2 4.07Å; I159-F364 HydrophobicContact CD1-CZ 3.81Å; I159-F364 HydrophobicContact CG1-CE2 4.36Å; I159-F364 HydrophobicContact CG1-CZ 4.22Å; I159-F364 HydrophobicContact CG2-CE1 4.15Å; I159-F364 HydrophobicContact CG2-CZ 4.15Å; I159-F364 PolarHBondContact N-O 3.2Å; I159-F364 VanDerWaalsContact N-O 3.07Å; I159-F364 PolarHBondContact O-N 3.01Å; I159-I378 HydrophobicContact CD1-CB 4.4Å; I159-I378 HydrophobicContact CD1-CG2 3.95Å; I159-I378 HydrophobicContact CG2-CG2 4.21Å; I159-L383 HydrophobicContact CG2-CD2 4.34Å
160	T	98.9	Very high	98.8	Very high	10 Å²	10	31.8 Å²	31.8	6%	0.061	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	148.2	178.4	49.5	0	0	0	0	112.3	L143 L147 L383	L143-T160 HydrophobicContact CD2-CG2 4.05Å; L147-T160 HydrophobicContact CD1-CG2 3.85Å; T160-L383 CarbonylContact C-O 3.55Å; T160-L383 WeakPolarHBondContact CB-O 3.26Å; T160-L383 CarbonylContact O-C 3.55Å; T160-L383 PolarHBondContact OG1-O 3.5Å
161	M	98.9	Very high	98.8	Very high	0 Å²	0	31 Å²	31	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	169.4	-179.9	-73.4	-65	161.7	0	0	109.5	I159 C166 S167 N170 T361 G362 F364 I378 N380 L383 G384	I159-M161 HydrophobicContact CG2-CE 3.87Å; M161-C166 HydrophobicContact SD-CB 4.48Å; M161-S167 WeakPolarHBondContact CB-OG 3.39Å; M161-N170 HydrophobicContact CE-CB 3.67Å; M161-N170 VanDerWaalsContact CE-CG 3.41Å; M161-N170 WeakPolarHBondContact CE-ND2 3.35Å; M161-N170 HydrophobicContact SD-CB 4.5Å; M161-T361 PolarHBondContact O-OG1 2.85Å; M161-G362 PolarHBondContact N-O 3.42Å; M161-G362 CarbonylContact O-C 3.38Å; M161-G362 VanDerWaalsContact O-C 3.23Å; M161-G362 WeakPolarHBondContact O-CA 3.38Å; M161-G362 PolarHBondContact O-N 3.17Å; M161-F364 HydrophobicContact CE-CE1 4.23Å; M161-F364 HydrophobicContact CG-CE1 4.46Å; M161-I378 HydrophobicContact CE-CG2 3.94Å; M161-N380 PolarHBondContact SD-ND2 3.4Å; M161-L383 HydrophobicContact CE-CD2 3.45Å; M161-L383 VanDerWaalsContact CE-CD2 3.45Å; M161-L383 HydrophobicContact SD-CD2 4.02Å; M161-G384 WeakPolarHBondContact O-CA 3.39Å
162	A	98.8	Very high	98.8	Very high	51 Å²	51	28.9 Å²	28.9	42%	0.421	18%	0.183	S	C	.	.	S	Bend	trans	-87.7	-27.5	-176.6	0	0	0	0	0	113.9
163	C	98.8	Very high	98.9	Very high	54 Å²	54	32.4 Å²	32.4	37%	0.365	20%	0.197	S	C	.	.	S	Bend	trans	-152.5	172.4	-177.3	74.4	0	0	0	0	112.1	S165 C166 S167	C163-S165 PolarHBondContact O-N 3.06Å; C163-C166 PolarHBondContact N-SG 3.34Å; C163-C166 VanDerWaalsContact N-SG 3.37Å; C163-C166 PolarHBondContact O-SG 3.22Å; C163-C166 VanDerWaalsContact O-SG 3.41Å; C163-S167 WeakPolarHBondContact O-CB 3.42Å; C163-S167 PolarHBondContact O-N 3.22Å; C163-S167 PolarHBondContact O-OG 3.48Å
164	G	98.8	Very high	98.9	Very high	11 Å²	11	26.8 Å²	26.8	11%	0.113	17%	0.173	C	C	.	.	H	α-helix	trans	-59.1	-42	178.7	0	0	0	0	0	113.8	S167 N168 S356	G164-S167 WeakPolarHBondContact O-CB 3.09Å; G164-S167 PolarHBondContact O-N 3.49Å; G164-N168 PolarHBondContact O-N 3.16Å; G164-S356 VanDerWaalsContact N-CB 3.34Å; G164-S356 PolarHBondContact N-OG 3.3Å
165	S	98.9	Very high	98.9	Very high	28 Å²	28	24.2 Å²	24.2	20%	0.196	15%	0.146	C	C	.	.	H	α-helix	trans	-60.8	-52.7	-179.9	-53.1	0	0	0	0	111.7	C163 S167 N168 E169 C224	C163-S165 PolarHBondContact O-N 3.06Å; S165-S167 PolarHBondContact O-N 3.04Å; S165-N168 PolarHBondContact O-N 3.11Å; S165-E169 WeakPolarHBondContact O-CG 3.34Å; S165-E169 PolarHBondContact O-N 3.11Å; S165-C224 PolarHBondContact O-SG 2.98Å
166	C	98.8	Very high	98.9	Very high	31 Å²	31	25.9 Å²	25.9	21%	0.209	15%	0.153	C	C	.	.	H	α-helix	trans	-71.5	-20.1	179.4	60.8	0	0	0	0	113.2	M161 C163 N170	M161-C166 HydrophobicContact SD-CB 4.48Å; C163-C166 PolarHBondContact N-SG 3.34Å; C163-C166 VanDerWaalsContact N-SG 3.37Å; C163-C166 PolarHBondContact O-SG 3.22Å; C163-C166 VanDerWaalsContact O-SG 3.41Å; C166-N170 WeakPolarHBondContact O-CB 3.45Å; C166-N170 PolarHBondContact O-N 3.35Å; C166-N170 PolarHBondContact O-ND2 2.84Å
167	S	98.9	Very high	98.9	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-64.1	-52	167.6	-54	0	0	0	0	110.5	M161 C163 G164 S165 N170 A171 F355 G363	M161-S167 WeakPolarHBondContact CB-OG 3.39Å; C163-S167 WeakPolarHBondContact O-CB 3.42Å; C163-S167 PolarHBondContact O-N 3.22Å; C163-S167 PolarHBondContact O-OG 3.48Å; G164-S167 WeakPolarHBondContact O-CB 3.09Å; G164-S167 PolarHBondContact O-N 3.49Å; S165-S167 PolarHBondContact O-N 3.04Å; S167-N170 PolarHBondContact O-N 3.22Å; S167-A171 WeakPolarHBondContact O-CB 3.26Å; S167-A171 PolarHBondContact O-N 2.91Å; S167-F355 PolarHBondContact OG-O 3.33Å; S167-G363 WeakPolarHBondContact CB-O 3.45Å; S167-G363 PolarHBondContact OG-N 2.92Å
168	N	98.9	Very high	98.9	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.005	13%	0.132	C	C	.	.	H	α-helix	trans	-63.8	-50.6	177.7	-76.7	-22	0	0	0	111.8	G164 S165 N170 A171 L172 H218 C224 D326 T354	G164-N168 PolarHBondContact O-N 3.16Å; S165-N168 PolarHBondContact O-N 3.11Å; N168-N170 VanDerWaalsContact C-N 3.28Å; N168-N170 PolarHBondContact O-N 3.43Å; N168-A171 CarbonylContact O-C 3.4Å; N168-A171 WeakPolarHBondContact O-CA 3.41Å; N168-A171 WeakPolarHBondContact O-CB 3.24Å; N168-A171 PolarHBondContact O-N 2.82Å; N168-L172 WeakPolarHBondContact O-CG 3.29Å; N168-L172 PolarHBondContact O-N 3.25Å; N168-H218 PolarHBondContact ND2-O 3.46Å; N168-C224 VanDerWaalsContact CB-SG 3.54Å; N168-D326 PolarHBondContact ND2-OD2 3.3Å; N168-T354 VanDerWaalsContact OD1-CB 3.25Å; N168-T354 WeakPolarHBondContact OD1-CB 2.91Å; N168-T354 VanDerWaalsContact OD1-CG2 3.24Å; N168-T354 WeakPolarHBondContact OD1-CG2 3.21Å; N168-T354 PolarHBondContact OD1-OG1 2.96Å
169	E	98.9	Very high	98.9	Very high	44 Å²	44	22.6 Å²	22.6	21%	0.206	13%	0.127	C	C	.	.	H	α-helix	trans	-52.1	-45.8	177.8	-69.8	-69.5	178.6	0	0	112.3	S165 L172 K173 T221 G223 C224	S165-E169 WeakPolarHBondContact O-CG 3.34Å; S165-E169 PolarHBondContact O-N 3.11Å; E169-L172 PolarHBondContact O-N 2.97Å; E169-K173 WeakPolarHBondContact O-CG 3.39Å; E169-K173 PolarHBondContact O-N 3.41Å; E169-T221 VanDerWaalsContact CG-OG1 3.3Å; E169-T221 WeakPolarHBondContact CG-OG1 3.48Å; E169-T221 WeakPolarHBondContact OE1-CB 3.35Å; E169-T221 PolarHBondContact OE1-OG1 3.16Å; E169-G223 VanDerWaalsContact OE1-CA 3.28Å; E169-G223 WeakPolarHBondContact OE1-CA 3.37Å; E169-G223 PolarHBondContact OE1-N 2.97Å; E169-G223 WeakPolarHBondContact OE2-CA 3.34Å; E169-C224 PolarHBondContact OE1-N 3.46Å
170	N	98.9	Very high	98.9	Very high	9 Å²	9	23.6 Å²	23.6	5%	0.048	13%	0.129	C	C	.	.	H	α-helix	trans	-75.3	-29.9	-179.8	-74.9	-82.1	0	0	0	112.4	M161 C166 S167 N168 K173 T174 F364 I378	M161-N170 HydrophobicContact CE-CB 3.67Å; M161-N170 VanDerWaalsContact CE-CG 3.41Å; M161-N170 WeakPolarHBondContact CE-ND2 3.35Å; M161-N170 HydrophobicContact SD-CB 4.5Å; C166-N170 WeakPolarHBondContact O-CB 3.45Å; C166-N170 PolarHBondContact O-N 3.35Å; C166-N170 PolarHBondContact O-ND2 2.84Å; S167-N170 PolarHBondContact O-N 3.22Å; N168-N170 VanDerWaalsContact C-N 3.28Å; N168-N170 PolarHBondContact O-N 3.43Å; N170-K173 PolarHBondContact O-N 3.21Å; N170-K173 WeakPolarHBondContact OD1-CE 3.48Å; N170-K173 PolarHBondContact OD1-NZ 2.92Å; N170-T174 WeakPolarHBondContact O-CB 3.45Å; N170-T174 PolarHBondContact O-N 3.5Å; N170-T174 PolarHBondContact O-OG1 2.84Å; N170-F364 HydrophobicContact CB-CE1 3.69Å; N170-F364 HydrophobicContact CB-CZ 4.23Å; N170-I378 HydrophobicContact CB-CG2 4.06Å
171	A	98.9	Very high	98.9	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-63.1	-43.4	168.8	0	0	0	0	0	111.7	S167 N168 K173 T174 I175 L324 V352 T354 F364	S167-A171 WeakPolarHBondContact O-CB 3.26Å; S167-A171 PolarHBondContact O-N 2.91Å; N168-A171 CarbonylContact O-C 3.4Å; N168-A171 WeakPolarHBondContact O-CA 3.41Å; N168-A171 WeakPolarHBondContact O-CB 3.24Å; N168-A171 PolarHBondContact O-N 2.82Å; A171-K173 PolarHBondContact O-N 3.06Å; A171-T174 WeakPolarHBondContact O-CB 3.42Å; A171-T174 PolarHBondContact O-N 2.83Å; A171-I175 VanDerWaalsContact O-CG1 3.29Å; A171-I175 WeakPolarHBondContact O-CG1 3.38Å; A171-I175 PolarHBondContact O-N 2.61Å; A171-L324 HydrophobicContact CB-CD1 3.63Å; A171-L324 HydrophobicContact CB-CD2 4.17Å; A171-V352 HydrophobicContact CB-CG1 3.85Å; A171-T354 HydrophobicContact CB-CG2 3.66Å; A171-F364 HydrophobicContact CB-CG 4.35Å
172	L	98.9	Very high	98.8	Very high	3 Å²	3	29.8 Å²	29.8	2%	0.016	16%	0.161	C	C	.	.	H	α-helix	trans	-59.1	-47.1	174.7	-58.6	-169.8	0	0	0	111.1	N168 E169 T174 I175 F176 I210 W243 L324	N168-L172 WeakPolarHBondContact O-CG 3.29Å; N168-L172 PolarHBondContact O-N 3.25Å; E169-L172 PolarHBondContact O-N 2.97Å; L172-T174 PolarHBondContact O-N 3.03Å; L172-I175 WeakPolarHBondContact O-CB 3.37Å; L172-I175 PolarHBondContact O-N 2.82Å; L172-F176 HydrophobicContact CB-CE2 4.04Å; L172-F176 WeakPolarHBondContact O-CD2 3.45Å; L172-F176 VanDerWaalsContact O-CG 3.32Å; L172-F176 WeakPolarHBondContact O-CG 3.13Å; L172-F176 PolarHBondContact O-N 3.49Å; L172-I210 HydrophobicContact CD1-CG1 4.42Å; L172-I210 HydrophobicContact CD2-CB 4.45Å; L172-I210 HydrophobicContact CD2-CD1 4Å; L172-I210 HydrophobicContact CD2-CG1 3.88Å; L172-I210 HydrophobicContact CD2-CG2 3.96Å; L172-W243 HydrophobicContact CD1-CH2 4.24Å; L172-W243 HydrophobicContact CD1-CZ3 4.12Å; L172-L324 HydrophobicContact CD2-CD2 3.7Å
173	K	98.9	Very high	98.8	Very high	81 Å²	81	31.5 Å²	31.5	35%	0.352	16%	0.16	S	C	.	.	H	α-helix	trans	-59.3	-45.4	175.1	-71.8	-170.2	-61	168.3	0	112.4	E169 N170 A171 I175 F176 M177 I378	E169-K173 WeakPolarHBondContact O-CG 3.39Å; E169-K173 PolarHBondContact O-N 3.41Å; N170-K173 PolarHBondContact O-N 3.21Å; N170-K173 WeakPolarHBondContact OD1-CE 3.48Å; N170-K173 PolarHBondContact OD1-NZ 2.92Å; A171-K173 PolarHBondContact O-N 3.06Å; K173-I175 VanDerWaalsContact C-N 3.27Å; K173-I175 PolarHBondContact O-N 2.93Å; K173-F176 PolarHBondContact O-N 2.91Å; K173-M177 WeakPolarHBondContact O-CB 3.12Å; K173-M177 WeakPolarHBondContact O-CG 3.32Å; K173-M177 PolarHBondContact O-N 3.42Å; K173-I378 HydrophobicContact CB-CD1 3.66Å
174	T	98.9	Very high	98.7	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.012	15%	0.147	C	C	.	.	H	α-helix	trans	-56.5	-42.9	175.8	-66.4	0	0	0	0	111.1	N170 A171 L172 M177 W178 F370	N170-T174 WeakPolarHBondContact O-CB 3.45Å; N170-T174 PolarHBondContact O-N 3.5Å; N170-T174 PolarHBondContact O-OG1 2.84Å; A171-T174 WeakPolarHBondContact O-CB 3.42Å; A171-T174 PolarHBondContact O-N 2.83Å; L172-T174 PolarHBondContact O-N 3.03Å; T174-M177 PolarHBondContact O-N 3.07Å; T174-W178 WeakPolarHBondContact O-CB 3.29Å; T174-W178 PolarHBondContact O-N 3.26Å; T174-F370 HydrophobicContact CG2-CB 3.94Å; T174-F370 HydrophobicContact CG2-CD1 4.25Å; T174-F370 VanDerWaalsContact CG2-O 3.26Å; T174-F370 WeakPolarHBondContact CG2-O 3.44Å
175	I	98.9	Very high	98.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-64.2	-47.3	176.4	-69.7	166.3	0	0	0	111.5	A171 L172 K173 M177 W178 Y179 I210 A288 A322 L324 V352 F370	A171-I175 VanDerWaalsContact O-CG1 3.29Å; A171-I175 WeakPolarHBondContact O-CG1 3.38Å; A171-I175 PolarHBondContact O-N 2.61Å; L172-I175 WeakPolarHBondContact O-CB 3.37Å; L172-I175 PolarHBondContact O-N 2.82Å; K173-I175 VanDerWaalsContact C-N 3.27Å; K173-I175 PolarHBondContact O-N 2.93Å; I175-M177 VanDerWaalsContact C-N 3.3Å; I175-M177 PolarHBondContact O-N 3.15Å; I175-W178 PolarHBondContact O-N 2.85Å; I175-Y179 WeakPolarHBondContact O-CB 3.44Å; I175-Y179 PolarHBondContact O-N 3.31Å; I175-I210 HydrophobicContact CG2-CD1 4.12Å; I175-A288 HydrophobicContact CG2-CB 3.95Å; I175-A288 WeakPolarHBondContact CG2-O 3.45Å; I175-A322 HydrophobicContact CB-CB 4.24Å; I175-A322 HydrophobicContact CD1-CB 3.93Å; I175-A322 HydrophobicContact CG1-CB 3.65Å; I175-A322 HydrophobicContact CG2-CB 3.67Å; I175-L324 HydrophobicContact CD1-CB 3.94Å; I175-L324 HydrophobicContact CD1-CD2 4.3Å; I175-V352 HydrophobicContact CD1-CG2 4.48Å; I175-V352 HydrophobicContact CG1-CG2 4.25Å; I175-F370 HydrophobicContact CG1-CD1 4.47Å; I175-F370 HydrophobicContact CG1-CE1 4.15Å
176	F	98.9	Very high	98.2	Very high	41 Å²	41	39.8 Å²	39.8	18%	0.18	20%	0.197	C	C	.	.	H	α-helix	trans	-61.2	-40.2	177.5	-62.2	-44.7	0	0	0	112.1	L172 K173 Y179 R180 Y208 I210 W243 A288	L172-F176 HydrophobicContact CB-CE2 4.04Å; L172-F176 WeakPolarHBondContact O-CD2 3.45Å; L172-F176 VanDerWaalsContact O-CG 3.32Å; L172-F176 WeakPolarHBondContact O-CG 3.13Å; L172-F176 PolarHBondContact O-N 3.49Å; K173-F176 PolarHBondContact O-N 2.91Å; F176-Y179 PolarHBondContact O-N 3.02Å; F176-R180 PolarHBondContact O-N 3.24Å; F176-Y208 HydrophobicContact CB-CD2 4.5Å; F176-Y208 HydrophobicContact CD1-CD2 4.08Å; F176-Y208 HydrophobicContact CD1-CG 4.47Å; F176-I210 HydrophobicContact CD1-CD1 4.42Å; F176-I210 HydrophobicContact CE1-CD1 3.65Å; F176-I210 HydrophobicContact CE1-CG1 3.66Å; F176-I210 HydrophobicContact CE2-CG1 4.46Å; F176-I210 HydrophobicContact CZ-CD1 3.87Å; F176-I210 HydrophobicContact CZ-CG1 3.45Å; F176-I210 VanDerWaalsContact CZ-CG1 3.45Å; F176-W243 HydrophobicContact CE2-CH2 4.38Å; F176-W243 HydrophobicContact CE2-CZ2 4.46Å; F176-W243 AromaticContact CZ-CH2 3.89Å; F176-W243 HydrophobicContact CZ-CH2 3.89Å; F176-W243 AromaticContact CZ-CZ2 3.79Å; F176-W243 HydrophobicContact CZ-CZ2 3.79Å; F176-A288 HydrophobicContact CD1-CB 3.72Å; F176-A288 HydrophobicContact CE1-CB 4.05Å
177	M	98.9	Very high	98	Very high	24 Å²	24	46.7 Å²	46.7	12%	0.118	22%	0.218	C	C	.	.	H	α-helix	trans	-64.2	-45.9	176.6	-70.4	170.7	37.3	0	0	111.9	K173 T174 I175 R180 S181 P372 R377 I378	K173-M177 WeakPolarHBondContact O-CB 3.12Å; K173-M177 WeakPolarHBondContact O-CG 3.32Å; K173-M177 PolarHBondContact O-N 3.42Å; T174-M177 PolarHBondContact O-N 3.07Å; I175-M177 VanDerWaalsContact C-N 3.3Å; I175-M177 PolarHBondContact O-N 3.15Å; M177-R180 PolarHBondContact O-N 3.36Å; M177-S181 WeakPolarHBondContact O-CB 3.39Å; M177-S181 PolarHBondContact O-N 3.03Å; M177-P372 HydrophobicContact CE-CB 3.7Å; M177-P372 HydrophobicContact CE-CG 4.03Å; M177-R377 HydrophobicContact CE-CB 3.67Å; M177-R377 HydrophobicContact CE-CG 4.31Å; M177-R377 HydrophobicContact SD-CB 3.84Å; M177-I378 HydrophobicContact CE-CG1 4.33Å; M177-I378 HydrophobicContact SD-CD1 3.96Å; M177-I378 HydrophobicContact SD-CG1 4.24Å
178	W	98.9	Very high	97.7	Very high	27 Å²	27	49.6 Å²	49.6	10%	0.102	25%	0.248	C	C	.	.	H	α-helix	trans	-59.6	-45.8	174.1	163.6	88.8	0	0	0	111.1	T174 I175 R180 S181 K182 G320 A322 E369 F370	T174-W178 WeakPolarHBondContact O-CB 3.29Å; T174-W178 PolarHBondContact O-N 3.26Å; I175-W178 PolarHBondContact O-N 2.85Å; W178-R180 PolarHBondContact O-N 2.92Å; W178-S181 WeakPolarHBondContact O-CA 3.48Å; W178-S181 VanDerWaalsContact O-CB 3.3Å; W178-S181 WeakPolarHBondContact O-CB 3.35Å; W178-S181 PolarHBondContact O-N 2.9Å; W178-S181 VanDerWaalsContact O-N 3.1Å; W178-K182 HydrophobicContact CD2-CD 4.22Å; W178-K182 HydrophobicContact CH2-CD 4.15Å; W178-K182 VanDerWaalsContact CH2-CE 3.46Å; W178-K182 HydrophobicContact CZ2-CD 3.62Å; W178-K182 VanDerWaalsContact CZ2-CE 3.46Å; W178-K182 VanDerWaalsContact CZ2-NZ 3.25Å; W178-K182 VanDerWaalsContact CZ3-NZ 3.31Å; W178-K182 PolarHBondContact O-N 3.24Å; W178-G320 VanDerWaalsContact CH2-O 3.28Å; W178-G320 WeakPolarHBondContact CH2-O 3.43Å; W178-A322 HydrophobicContact CE3-CB 4.26Å; W178-A322 HydrophobicContact CH2-CB 4.26Å; W178-A322 HydrophobicContact CZ3-CB 3.82Å; W178-E369 PolarHBondContact NE1-OE2 3.4Å; W178-F370 HydrophobicContact CB-CD1 3.67Å; W178-F370 HydrophobicContact CB-CE1 3.84Å; W178-F370 HydrophobicContact CB-CG 4.4Å; W178-F370 AromaticContact CD1-CE1 3.97Å; W178-F370 AromaticContact CD1-CZ 4Å; W178-F370 HydrophobicContact CD2-CD1 4.09Å; W178-F370 AromaticContact CD2-CE1 3.37Å; W178-F370 HydrophobicContact CD2-CE1 3.37Å; W178-F370 HydrophobicContact CD2-CE2 4.3Å; W178-F370 AromaticContact CD2-CZ 3.49Å; W178-F370 HydrophobicContact CD2-CZ 3.49Å; W178-F370 VanDerWaalsContact CD2-CZ 3.49Å; W178-F370 AromaticContact CE2-CE1 3.81Å; W178-F370 AromaticContact CE2-CE2 3.89Å; W178-F370 AromaticContact CE2-CZ 3.39Å; W178-F370 AromaticContact CE3-CE1 3.63Å; W178-F370 HydrophobicContact CE3-CE1 3.63Å; W178-F370 AromaticContact CE3-CZ 3.88Å; W178-F370 HydrophobicContact CE3-CZ 3.88Å; W178-F370 AromaticContact CG-CD1 3.68Å; W178-F370 HydrophobicContact CG-CD1 3.68Å; W178-F370 AromaticContact CG-CE1 3.48Å; W178-F370 HydrophobicContact CG-CE1 3.48Å; W178-F370 VanDerWaalsContact CG-CE1 3.48Å; W178-F370 HydrophobicContact CG-CE2 4.4Å; W178-F370 HydrophobicContact CG-CG 4.25Å; W178-F370 AromaticContact CG-CZ 3.88Å; W178-F370 HydrophobicContact CG-CZ 3.88Å; W178-F370 AromaticContact CH2-CZ 3.96Å; W178-F370 HydrophobicContact CH2-CZ 3.96Å; W178-F370 HydrophobicContact CZ2-CE1 4.38Å; W178-F370 HydrophobicContact CZ2-CE2 4.24Å; W178-F370 AromaticContact CZ2-CZ 3.66Å; W178-F370 HydrophobicContact CZ2-CZ 3.66Å; W178-F370 HydrophobicContact CZ3-CE1 4.2Å; W178-F370 HydrophobicContact CZ3-CZ 4.11Å; W178-F370 AromaticContact NE1-CE2 3.78Å; W178-F370 AromaticContact NE1-CZ 3.72Å
179	Y	98.9	Very high	97.6	Very high	20 Å²	20	54 Å²	54	8%	0.078	27%	0.268	C	S	.	.	H	α-helix	trans	-64	-44.9	-179.4	-154.5	-74.1	0	0	0	111.8	I175 F176 S181 K182 E183 Y208 T286 A288 G320	I175-Y179 WeakPolarHBondContact O-CB 3.44Å; I175-Y179 PolarHBondContact O-N 3.31Å; F176-Y179 PolarHBondContact O-N 3.02Å; Y179-S181 VanDerWaalsContact C-N 3.27Å; Y179-S181 PolarHBondContact O-N 2.85Å; Y179-K182 WeakPolarHBondContact O-CB 3.41Å; Y179-K182 PolarHBondContact O-N 3.47Å; Y179-E183 HydrophobicContact CD1-CG 4.21Å; Y179-E183 HydrophobicContact CE1-CG 4.1Å; Y179-E183 WeakPolarHBondContact CE1-OE1 3.1Å; Y179-E183 PolarHBondContact O-N 3.23Å; Y179-E183 VanDerWaalsContact O-N 3.16Å; Y179-Y208 HydrophobicContact CD1-CE1 4.32Å; Y179-Y208 HydrophobicContact CD1-CE2 4.08Å; Y179-Y208 AromaticContact CD1-CZ 3.81Å; Y179-T286 HydrophobicContact CE1-CG2 3.74Å; Y179-T286 HydrophobicContact CE2-CG2 4.29Å; Y179-T286 VanDerWaalsContact CZ-CG2 3.47Å; Y179-T286 WeakPolarHBondContact OH-CG2 3.48Å; Y179-A288 VanDerWaalsContact CD2-CA 3.49Å; Y179-A288 HydrophobicContact CD2-CB 3.84Å; Y179-A288 HydrophobicContact CG-CB 3.96Å; Y179-G320 WeakPolarHBondContact CE2-O 3.17Å
180	R	98.6	Very high	97.6	Very high	59 Å²	59	54.2 Å²	54.2	22%	0.223	27%	0.274	C	S	.	.	H	α-helix	trans	-59.2	-39	171.5	-78	-50.8	-71.3	169.7	-6	112.4	F176 M177 W178 K182 E183 R184 E193 P206 Y208	F176-R180 PolarHBondContact O-N 3.24Å; M177-R180 PolarHBondContact O-N 3.36Å; W178-R180 PolarHBondContact O-N 2.92Å; R180-K182 VanDerWaalsContact C-N 3.31Å; R180-K182 PolarHBondContact O-N 2.94Å; R180-E183 IonicContact CZ-OE2 2.82Å; R180-E183 IonicContact NH1-OE2 3.83Å; R180-E183 PolarHBondContact NH1-OE2 3.46Å; R180-E183 PolarHBondContact O-N 3.18Å; R180-R184 VanDerWaalsContact O-CB 3.25Å; R180-R184 WeakPolarHBondContact O-CB 3.41Å; R180-R184 PolarHBondContact O-N 3.37Å; R180-E193 IonicContact CZ-OE1 2.93Å; R180-E193 IonicContact NE-OE1 3.49Å; R180-E193 IonicContact NH2-OE1 2.86Å; R180-E193 PolarHBondContact NH2-OE1 2.95Å; R180-P206 HydrophobicContact CG-CG 4.14Å; R180-Y208 VanDerWaalsContact CD-CE2 3.42Å; R180-Y208 WeakPolarHBondContact CD-OH 3.33Å; R180-Y208 HydrophobicContact CG-CE2 3.7Å; R180-Y208 PolarHBondContact NH1-OH 2.95Å
181	S	98.4	Very high	97.6	Very high	49 Å²	49	59.6 Å²	59.6	34%	0.343	30%	0.299	S	S	.	.	H	α-helix	trans	-61.4	-41.1	177.2	-161.8	0	0	0	0	111.4	M177 W178 Y179 G185	M177-S181 WeakPolarHBondContact O-CB 3.39Å; M177-S181 PolarHBondContact O-N 3.03Å; W178-S181 WeakPolarHBondContact O-CA 3.48Å; W178-S181 VanDerWaalsContact O-CB 3.3Å; W178-S181 WeakPolarHBondContact O-CB 3.35Å; W178-S181 PolarHBondContact O-N 2.9Å; W178-S181 VanDerWaalsContact O-N 3.1Å; Y179-S181 VanDerWaalsContact C-N 3.27Å; Y179-S181 PolarHBondContact O-N 2.85Å; S181-G185 WeakPolarHBondContact O-CA 3.23Å; S181-G185 PolarHBondContact O-N 3.39Å
182	K	97.8	Very high	97.6	Very high	90 Å²	90	65.1 Å²	65.1	39%	0.391	33%	0.325	S	S	.	.	H	α-helix	trans	-62.3	-46.1	175.7	-68.3	-170.7	-61.6	173.7	0	112.6	W178 Y179 R180 G320	W178-K182 HydrophobicContact CD2-CD 4.22Å; W178-K182 HydrophobicContact CH2-CD 4.15Å; W178-K182 VanDerWaalsContact CH2-CE 3.46Å; W178-K182 HydrophobicContact CZ2-CD 3.62Å; W178-K182 VanDerWaalsContact CZ2-CE 3.46Å; W178-K182 VanDerWaalsContact CZ2-NZ 3.25Å; W178-K182 VanDerWaalsContact CZ3-NZ 3.31Å; W178-K182 PolarHBondContact O-N 3.24Å; Y179-K182 WeakPolarHBondContact O-CB 3.41Å; Y179-K182 PolarHBondContact O-N 3.47Å; R180-K182 VanDerWaalsContact C-N 3.31Å; R180-K182 PolarHBondContact O-N 2.94Å; K182-G320 PolarHBondContact NZ-O 2.91Å
183	E	98.1	Very high	97.6	Very high	87 Å²	87	66.1 Å²	66.1	41%	0.407	33%	0.329	S	S	.	.	H	α-helix	trans	-67.5	-40.2	-179.2	-70.4	-171.7	169.6	0	0	112.6	Y179 R180 Y208	Y179-E183 HydrophobicContact CD1-CG 4.21Å; Y179-E183 HydrophobicContact CE1-CG 4.1Å; Y179-E183 WeakPolarHBondContact CE1-OE1 3.1Å; Y179-E183 PolarHBondContact O-N 3.23Å; Y179-E183 VanDerWaalsContact O-N 3.16Å; R180-E183 IonicContact CZ-OE2 2.82Å; R180-E183 IonicContact NH1-OE2 3.83Å; R180-E183 PolarHBondContact NH1-OE2 3.46Å; R180-E183 PolarHBondContact O-N 3.18Å; E183-Y208 PolarHBondContact OE1-OH 3.37Å; E183-Y208 PolarHBondContact OE2-OH 3.5Å
184	R	97.6	Very high	97.5	Very high	25 Å²	25	66 Å²	66	9%	0.094	33%	0.332	C	S	.	.	H	α-helix	trans	-80.8	-28	-176.6	-174.7	170.3	55.8	133.8	1.4	112.8	R180 R187 G188 F189	R180-R184 VanDerWaalsContact O-CB 3.25Å; R180-R184 WeakPolarHBondContact O-CB 3.41Å; R180-R184 PolarHBondContact O-N 3.37Å; R184-R187 HydrophobicContact CG-CB 3.82Å; R184-R187 PolarHBondContact NH1-O 3.18Å; R184-R187 VanDerWaalsContact NH1-O 3.13Å; R184-R187 PolarHBondContact O-NE 2.94Å; R184-R187 PolarHBondContact O-NH2 3.31Å; R184-G188 WeakPolarHBondContact CD-O 3.46Å; R184-G188 PolarHBondContact NH1-O 2.89Å; R184-F189 VanDerWaalsContact NH1-CA 3.31Å; R184-F189 VanDerWaalsContact NH1-CE1 3.34Å; R184-F189 VanDerWaalsContact NH2-CE1 3.28Å
185	G	96.3	Very high	97.5	Very high	38 Å²	38	71.3 Å²	71.3	39%	0.392	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.2	-141.2	-173.3	0	0	0	0	0	111.6	S181 R187	S181-G185 WeakPolarHBondContact O-CA 3.23Å; S181-G185 PolarHBondContact O-N 3.39Å; G185-R187 PolarHBondContact O-N 3.5Å
186	Q	90.4	Very high	97.5	Very high	204 Å²	204	72.2 Å²	72.2	95%	0.953	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	6.6	-178.6	-61.6	-63.8	-17.9	0	0	114.2
187	R	93.8	Very high	97.5	Very high	177 Å²	177	72.5 Å²	72.5	67%	0.668	37%	0.369	S	S	*	.			trans	-74	141.9	-179.1	-69.6	176.6	-79.9	-175.9	-6.7	110.9	R184 G185	R184-R187 HydrophobicContact CG-CB 3.82Å; R184-R187 PolarHBondContact NH1-O 3.18Å; R184-R187 VanDerWaalsContact NH1-O 3.13Å; R184-R187 PolarHBondContact O-NE 2.94Å; R184-R187 PolarHBondContact O-NH2 3.31Å; G185-R187 PolarHBondContact O-N 3.5Å
188	G	92.9	Very high	97.5	Very high	61 Å²	61	78.6 Å²	78.6	63%	0.629	40%	0.399	S	S	*	.			trans	-62.3	174.2	170.2	0	0	0	0	0	112.5	R184	R184-G188 WeakPolarHBondContact CD-O 3.46Å; R184-G188 PolarHBondContact NH1-O 2.89Å
189	F	98.1	Very high	97.5	Very high	94 Å²	94	82.1 Å²	82.1	41%	0.412	42%	0.418	S	S	.	.			trans	-69.3	137.7	174.7	-60.1	-68.7	0	0	0	108.8	R184 L194	R184-F189 VanDerWaalsContact NH1-CA 3.31Å; R184-F189 VanDerWaalsContact NH1-CE1 3.34Å; R184-F189 VanDerWaalsContact NH2-CE1 3.28Å; F189-L194 HydrophobicContact CB-CD1 4.33Å; F189-L194 HydrophobicContact CB-CD2 3.87Å; F189-L194 HydrophobicContact CB-CG 3.95Å; F189-L194 HydrophobicContact CD2-CD2 4.4Å; F189-L194 HydrophobicContact CG-CD2 4.26Å
190	S	98.3	Very high	97.5	Very high	48 Å²	48	88 Å²	88	34%	0.336	45%	0.451	S	S	.	.			trans	-72.7	155.6	171.9	78.7	0	0	0	0	110.1	E192 E193 L194	S190-E192 PolarHBondContact O-N 3.01Å; S190-E193 PolarHBondContact N-OE2 2.9Å; S190-E193 PolarHBondContact O-N 2.94Å; S190-E193 WeakPolarHBondContact OG-CB 3.19Å; S190-E193 VanDerWaalsContact OG-CG 3.31Å; S190-E193 WeakPolarHBondContact OG-CG 3.48Å; S190-E193 PolarHBondContact OG-N 2.95Å; S190-L194 WeakPolarHBondContact O-CG 3.44Å; S190-L194 PolarHBondContact O-N 3.45Å; S190-L194 VanDerWaalsContact O-N 3.13Å
191	Q	98.6	Very high	97.5	Very high	122 Å²	122	90.5 Å²	90.5	57%	0.57	47%	0.465	S	S	*	.	H	α-helix	trans	-58.8	-41	174.8	-173.6	61	24.1	0	0	111.2	E193 L194 E195	Q191-E193 PolarHBondContact O-N 3.04Å; Q191-L194 PolarHBondContact O-N 3.04Å; Q191-E195 WeakPolarHBondContact CG-OE1 3.5Å; Q191-E195 PolarHBondContact NE2-OE1 3.38Å; Q191-E195 WeakPolarHBondContact O-CG 3.5Å; Q191-E195 PolarHBondContact O-N 2.85Å
192	E	98.7	Very high	97.5	Very high	116 Å²	116	91.5 Å²	91.5	54%	0.542	48%	0.477	S	S	.	.	H	α-helix	trans	-61.7	-42	176.2	-169.7	-171.2	-175.8	0	0	112.3	S190 L194 E195 T196 P203	S190-E192 PolarHBondContact O-N 3.01Å; E192-L194 VanDerWaalsContact C-N 3.32Å; E192-L194 PolarHBondContact O-N 2.86Å; E192-E195 PolarHBondContact O-N 3.42Å; E192-T196 HydrophobicContact CG-CG2 4.19Å; E192-T196 WeakPolarHBondContact O-CB 3.29Å; E192-T196 VanDerWaalsContact O-CG2 3.32Å; E192-T196 WeakPolarHBondContact O-CG2 3.28Å; E192-T196 PolarHBondContact O-N 3.39Å; E192-T196 PolarHBondContact O-OG1 2.93Å; E192-P203 HydrophobicContact CB-CG 4.44Å; E192-P203 HydrophobicContact CG-CG 3.91Å
193	E	98.8	Very high	97.5	Very high	23 Å²	23	89.1 Å²	89.1	11%	0.107	47%	0.47	C	S	.	.	H	α-helix	trans	-60.7	-41.5	175	-77.2	175.2	147.5	0	0	111.3	R180 S190 Q191 C197 P203 G204	R180-E193 IonicContact CZ-OE1 2.93Å; R180-E193 IonicContact NE-OE1 3.49Å; R180-E193 IonicContact NH2-OE1 2.86Å; R180-E193 PolarHBondContact NH2-OE1 2.95Å; S190-E193 PolarHBondContact N-OE2 2.9Å; S190-E193 PolarHBondContact O-N 2.94Å; S190-E193 WeakPolarHBondContact OG-CB 3.19Å; S190-E193 VanDerWaalsContact OG-CG 3.31Å; S190-E193 WeakPolarHBondContact OG-CG 3.48Å; S190-E193 PolarHBondContact OG-N 2.95Å; Q191-E193 PolarHBondContact O-N 3.04Å; E193-C197 VanDerWaalsContact O-CB 3.29Å; E193-C197 WeakPolarHBondContact O-CB 3.33Å; E193-C197 PolarHBondContact O-N 2.92Å; E193-C197 VanDerWaalsContact O-N 3.14Å; E193-C197 PolarHBondContact O-SG 3.17Å; E193-C197 VanDerWaalsContact O-SG 3.38Å; E193-P203 HydrophobicContact CG-CB 4.25Å; E193-P203 HydrophobicContact CG-CG 4.01Å; E193-G204 VanDerWaalsContact O-CA 3.23Å; E193-G204 WeakPolarHBondContact O-CA 3.35Å
194	L	98.8	Very high	97.6	Very high	80 Å²	80	86 Å²	86	42%	0.419	46%	0.462	S	S	.	.	H	α-helix	trans	-68.2	-39.4	179.9	-66.4	171.4	0	0	0	112.4	F189 S190 Q191 E192 C197	F189-L194 HydrophobicContact CB-CD1 4.33Å; F189-L194 HydrophobicContact CB-CD2 3.87Å; F189-L194 HydrophobicContact CB-CG 3.95Å; F189-L194 HydrophobicContact CD2-CD2 4.4Å; F189-L194 HydrophobicContact CG-CD2 4.26Å; S190-L194 WeakPolarHBondContact O-CG 3.44Å; S190-L194 PolarHBondContact O-N 3.45Å; S190-L194 VanDerWaalsContact O-N 3.13Å; Q191-L194 PolarHBondContact O-N 3.04Å; E192-L194 VanDerWaalsContact C-N 3.32Å; E192-L194 PolarHBondContact O-N 2.86Å; L194-C197 PolarHBondContact O-SG 3.01Å
195	E	98.8	Very high	97.6	Very high	113 Å²	113	87 Å²	87	53%	0.528	47%	0.472	S	S	.	.	H	α-helix	trans	-74.5	-47.8	-179.8	-71.3	170.3	-179.5	0	0	111.4	Q191 E192 C197 M198	Q191-E195 WeakPolarHBondContact CG-OE1 3.5Å; Q191-E195 PolarHBondContact NE2-OE1 3.38Å; Q191-E195 WeakPolarHBondContact O-CG 3.5Å; Q191-E195 PolarHBondContact O-N 2.85Å; E192-E195 PolarHBondContact O-N 3.42Å; E195-C197 PolarHBondContact O-N 3.21Å; E195-M198 PolarHBondContact O-N 3.35Å
196	T	98.9	Very high	97.7	Very high	18 Å²	18	87.5 Å²	87.5	11%	0.11	47%	0.469	C	S	.	.	H	α-helix	trans	-71.5	-30.3	-175.5	56.2	0	0	0	0	113.2	E192 M198 I199 N200 Q201 A202 P203 G204	E192-T196 HydrophobicContact CG-CG2 4.19Å; E192-T196 WeakPolarHBondContact O-CB 3.29Å; E192-T196 VanDerWaalsContact O-CG2 3.32Å; E192-T196 WeakPolarHBondContact O-CG2 3.28Å; E192-T196 PolarHBondContact O-N 3.39Å; E192-T196 PolarHBondContact O-OG1 2.93Å; T196-M198 PolarHBondContact O-N 3.49Å; T196-I199 WeakPolarHBondContact O-CG1 3.32Å; T196-I199 PolarHBondContact O-N 3.48Å; T196-N200 PolarHBondContact O-N 2.83Å; T196-Q201 CarbonylContact C-O 3.6Å; T196-Q201 WeakPolarHBondContact CB-O 3.48Å; T196-Q201 PolarHBondContact O-N 2.61Å; T196-A202 WeakPolarHBondContact CG2-O 3.36Å; T196-P203 WeakPolarHBondContact OG1-CD 3.41Å; T196-G204 WeakPolarHBondContact OG1-CA 3.46Å; T196-G204 PolarHBondContact OG1-N 3.38Å
197	C	98.7	Very high	98.1	Very high	47 Å²	47	81.9 Å²	81.9	32%	0.318	45%	0.445	S	S	.	.	H	α-helix	trans	-65.5	-28.9	177.9	74	0	0	0	0	112.9	E193 L194 E195 I199	E193-C197 VanDerWaalsContact O-CB 3.29Å; E193-C197 WeakPolarHBondContact O-CB 3.33Å; E193-C197 PolarHBondContact O-N 2.92Å; E193-C197 VanDerWaalsContact O-N 3.14Å; E193-C197 PolarHBondContact O-SG 3.17Å; E193-C197 VanDerWaalsContact O-SG 3.38Å; L194-C197 PolarHBondContact O-SG 3.01Å; E195-C197 PolarHBondContact O-N 3.21Å; C197-I199 PolarHBondContact O-N 3.4Å
198	M	98.8	Very high	98.4	Very high	152 Å²	152	74.3 Å²	74.3	75%	0.749	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-15.8	179.5	-68.1	-57.6	-60.8	0	0	113	E195 T196	E195-M198 PolarHBondContact O-N 3.35Å; T196-M198 PolarHBondContact O-N 3.49Å
199	I	98.6	Very high	98.6	Very high	101 Å²	101	71.4 Å²	71.4	52%	0.518	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.4	21	-178.6	61.4	169.6	0	0	0	112.7	T196 C197 Q201	T196-I199 WeakPolarHBondContact O-CG1 3.32Å; T196-I199 PolarHBondContact O-N 3.48Å; C197-I199 PolarHBondContact O-N 3.4Å; I199-Q201 VanDerWaalsContact C-N 3.34Å; I199-Q201 HydrophobicContact CD1-CG 4.35Å; I199-Q201 HydrophobicContact CG1-CB 4.32Å; I199-Q201 HydrophobicContact CG1-CG 4.22Å; I199-Q201 PolarHBondContact O-N 3.27Å
200	N	98.8	Very high	98.7	Very high	144 Å²	144	67 Å²	67	77%	0.77	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.6	33.6	176.6	-55.1	-24.2	0	0	0	114.7	T196	T196-N200 PolarHBondContact O-N 2.83Å
201	Q	98.8	Very high	98.7	Very high	111 Å²	111	64.7 Å²	64.7	52%	0.519	35%	0.351	S	S	.	.			trans	-117.3	156.4	-179.4	-68.9	-178.2	6	0	0	112.8	T196 I199 G204 C205	T196-Q201 CarbonylContact C-O 3.6Å; T196-Q201 WeakPolarHBondContact CB-O 3.48Å; T196-Q201 PolarHBondContact O-N 2.61Å; I199-Q201 VanDerWaalsContact C-N 3.34Å; I199-Q201 HydrophobicContact CD1-CG 4.35Å; I199-Q201 HydrophobicContact CG1-CB 4.32Å; I199-Q201 HydrophobicContact CG1-CG 4.22Å; I199-Q201 PolarHBondContact O-N 3.27Å; Q201-G204 PolarHBondContact O-N 3.14Å; Q201-C205 WeakPolarHBondContact O-CB 3.26Å; Q201-C205 PolarHBondContact O-N 3.48Å
202	A	98.4	Very high	98.7	Very high	70 Å²	70	58.9 Å²	58.9	58%	0.579	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	152.4	168.4	0	0	0	0	0	110.6	T196	T196-A202 WeakPolarHBondContact CG2-O 3.36Å
203	P	98.4	Very high	98.7	Very high	40 Å²	40	53.3 Å²	53.3	26%	0.26	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	cis	-83.1	-9.6	2.3	33.5	-36	0	0	0	114.8	E192 E193 T196 C205	E192-P203 HydrophobicContact CB-CG 4.44Å; E192-P203 HydrophobicContact CG-CG 3.91Å; E193-P203 HydrophobicContact CG-CB 4.25Å; E193-P203 HydrophobicContact CG-CG 4.01Å; T196-P203 WeakPolarHBondContact OG1-CD 3.41Å; P203-C205 VanDerWaalsContact C-N 3.34Å; P203-C205 PolarHBondContact O-N 2.63Å
204	G	98.5	Very high	98.8	Very high	22 Å²	22	57.3 Å²	57.3	23%	0.227	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-37.1	-178.6	0	0	0	0	0	113.9	E193 T196 Q201 P206	E193-G204 VanDerWaalsContact O-CA 3.23Å; E193-G204 WeakPolarHBondContact O-CA 3.35Å; T196-G204 WeakPolarHBondContact OG1-CA 3.46Å; T196-G204 PolarHBondContact OG1-N 3.38Å; Q201-G204 PolarHBondContact O-N 3.14Å; G204-P206 WeakPolarHBondContact O-CD 3.25Å
205	C	98.8	Very high	98.7	Very high	46 Å²	46	53.9 Å²	53.9	31%	0.311	30%	0.302	S	S	.	.	S	Bend	trans	-103.8	97.8	169.1	-63.5	0	0	0	0	109.7	Q201 P203	Q201-C205 WeakPolarHBondContact O-CB 3.26Å; Q201-C205 PolarHBondContact O-N 3.48Å; P203-C205 VanDerWaalsContact C-N 3.34Å; P203-C205 PolarHBondContact O-N 2.63Å
206	P	98.6	Very high	98.8	Very high	49 Å²	49	48.6 Å²	48.6	32%	0.318	28%	0.278	S	S	.	.			trans	-70.5	144.7	-179.9	30.1	-35.7	0	0	0	111.3	R180 G204 Y208	R180-P206 HydrophobicContact CG-CG 4.14Å; G204-P206 WeakPolarHBondContact O-CD 3.25Å; P206-Y208 HydrophobicContact CB-CD1 4.12Å; P206-Y208 HydrophobicContact CB-CD2 3.76Å; P206-Y208 HydrophobicContact CB-CE1 4.1Å; P206-Y208 HydrophobicContact CB-CE2 3.75Å; P206-Y208 HydrophobicContact CB-CG 3.96Å; P206-Y208 HydrophobicContact CG-CD2 3.66Å; P206-Y208 HydrophobicContact CG-CE2 3.81Å; P206-Y208 HydrophobicContact CG-CG 4.24Å; P206-Y208 PolarHBondContact O-N 3.42Å
207	D	98.6	Very high	98.8	Very high	86 Å²	86	49.4 Å²	49.4	46%	0.46	28%	0.28	S	S	.	.			trans	-82.7	49	175.1	-166.6	17.7	0	0	0	111.4	K285	D207-K285 WeakPolarHBondContact O-CA 3.41Å; D207-K285 IonicContact OD1-NZ 2.82Å; D207-K285 PolarHBondContact OD1-NZ 2.86Å; D207-K285 WeakPolarHBondContact OD2-CG 3.44Å; D207-K285 IonicContact OD2-NZ 3.25Å; D207-K285 PolarHBondContact OD2-NZ 2.92Å
208	Y	98.9	Very high	98.8	Very high	17 Å²	17	47.3 Å²	47.3	7%	0.067	27%	0.265	C	S	.	.			trans	-76.3	162.2	177.2	-65	-27.9	0	0	0	112.6	F176 Y179 R180 E183 P206 W243 T286 A288	F176-Y208 HydrophobicContact CB-CD2 4.5Å; F176-Y208 HydrophobicContact CD1-CD2 4.08Å; F176-Y208 HydrophobicContact CD1-CG 4.47Å; Y179-Y208 HydrophobicContact CD1-CE1 4.32Å; Y179-Y208 HydrophobicContact CD1-CE2 4.08Å; Y179-Y208 AromaticContact CD1-CZ 3.81Å; R180-Y208 VanDerWaalsContact CD-CE2 3.42Å; R180-Y208 WeakPolarHBondContact CD-OH 3.33Å; R180-Y208 HydrophobicContact CG-CE2 3.7Å; R180-Y208 PolarHBondContact NH1-OH 2.95Å; E183-Y208 PolarHBondContact OE1-OH 3.37Å; E183-Y208 PolarHBondContact OE2-OH 3.5Å; P206-Y208 HydrophobicContact CB-CD1 4.12Å; P206-Y208 HydrophobicContact CB-CD2 3.76Å; P206-Y208 HydrophobicContact CB-CE1 4.1Å; P206-Y208 HydrophobicContact CB-CE2 3.75Å; P206-Y208 HydrophobicContact CB-CG 3.96Å; P206-Y208 HydrophobicContact CG-CD2 3.66Å; P206-Y208 HydrophobicContact CG-CE2 3.81Å; P206-Y208 HydrophobicContact CG-CG 4.24Å; P206-Y208 PolarHBondContact O-N 3.42Å; Y208-W243 PolarHBondContact O-NE1 3.32Å; Y208-T286 WeakPolarHBondContact CA-O 3.42Å; Y208-A288 HydrophobicContact CD2-CB 4.42Å; Y208-A288 HydrophobicContact CG-CB 4.46Å
209	S	98.9	Very high	98.8	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	159.4	176.5	65.6	0	0	0	0	113.5	W243 K285 T286 V287 A288	S209-W243 VanDerWaalsContact CA-CD1 3.49Å; S209-K285 PolarHBondContact OG-O 3.15Å; S209-T286 PolarHBondContact N-O 3.49Å; S209-T286 PolarHBondContact OG-O 3.02Å; S209-V287 CarbonylContact O-C 3.58Å; S209-V287 WeakPolarHBondContact O-CA 3.47Å; S209-V287 WeakPolarHBondContact OG-CA 3.35Å; S209-V287 WeakPolarHBondContact OG-CG2 3.29Å; S209-A288 PolarHBondContact O-N 3.38Å
210	I	98.9	Very high	98.8	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	121.5	169.7	-61.7	-70.5	0	0	0	107.2	L172 I175 F176 T227 W243 G289 I291	L172-I210 HydrophobicContact CD1-CG1 4.42Å; L172-I210 HydrophobicContact CD2-CB 4.45Å; L172-I210 HydrophobicContact CD2-CD1 4Å; L172-I210 HydrophobicContact CD2-CG1 3.88Å; L172-I210 HydrophobicContact CD2-CG2 3.96Å; I175-I210 HydrophobicContact CG2-CD1 4.12Å; F176-I210 HydrophobicContact CD1-CD1 4.42Å; F176-I210 HydrophobicContact CE1-CD1 3.65Å; F176-I210 HydrophobicContact CE1-CG1 3.66Å; F176-I210 HydrophobicContact CE2-CG1 4.46Å; F176-I210 HydrophobicContact CZ-CD1 3.87Å; F176-I210 HydrophobicContact CZ-CG1 3.45Å; F176-I210 VanDerWaalsContact CZ-CG1 3.45Å; I210-T227 HydrophobicContact CB-CG2 4.28Å; I210-T227 HydrophobicContact CG2-CG2 3.93Å; I210-W243 HydrophobicContact CB-CD2 4.37Å; I210-W243 HydrophobicContact CB-CE3 3.78Å; I210-W243 HydrophobicContact CB-CH2 4.44Å; I210-W243 HydrophobicContact CB-CZ3 3.83Å; I210-W243 HydrophobicContact CG1-CE3 4.37Å; I210-W243 HydrophobicContact CG1-CH2 4.15Å; I210-W243 HydrophobicContact CG1-CZ3 4.01Å; I210-G289 WeakPolarHBondContact CA-O 3.33Å; I210-I291 HydrophobicContact CG2-CB 4.17Å; I210-I291 HydrophobicContact CG2-CG2 3.74Å
211	L	98.9	Very high	98.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	131.6	174.4	-172.2	148.6	0	0	0	109.2	F213 P244 A246 V273 L276 I277 V287 G289 I290 I291	L211-F213 HydrophobicContact CD2-CE2 4.1Å; L211-F213 HydrophobicContact CD2-CZ 4.16Å; L211-P244 WeakPolarHBondContact CA-O 3.38Å; L211-P244 HydrophobicContact CB-CB 4.43Å; L211-P244 HydrophobicContact CB-CG 3.88Å; L211-P244 HydrophobicContact CD1-CB 4.03Å; L211-P244 HydrophobicContact CD1-CG 4.14Å; L211-P244 HydrophobicContact CG-CB 4.11Å; L211-P244 HydrophobicContact CG-CG 4.11Å; L211-A246 HydrophobicContact CD2-CB 3.98Å; L211-V273 HydrophobicContact CD1-CG1 4.13Å; L211-V273 HydrophobicContact CD2-CG1 4.27Å; L211-V273 HydrophobicContact CD2-CG2 4.41Å; L211-L276 HydrophobicContact CD1-CB 3.9Å; L211-L276 HydrophobicContact CD1-CD1 4.43Å; L211-I277 HydrophobicContact CD1-CG1 4Å; L211-V287 HydrophobicContact CB-CG1 3.8Å; L211-G289 PolarHBondContact N-O 3.25Å; L211-I290 HydrophobicContact CB-CG1 4.19Å; L211-I290 HydrophobicContact CD2-CG1 4.49Å; L211-I290 HydrophobicContact CD2-CG2 3.91Å; L211-I290 WeakPolarHBondContact O-CA 3.13Å; L211-I291 PolarHBondContact O-N 3.38Å
212	S	98.9	Very high	98.8	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	175.7	177.4	56	0	0	0	0	110.4	T227 H229 P244 I245 A246	S212-T227 WeakPolarHBondContact CB-O 3.39Å; S212-H229 PolarHBondContact OG-NE2 3.04Å; S212-P244 PolarHBondContact N-O 3.32Å; S212-P244 VanDerWaalsContact N-O 3.11Å; S212-I245 CarbonylContact O-C 3.28Å; S212-I245 WeakPolarHBondContact O-CA 3.42Å; S212-A246 PolarHBondContact O-N 3.04Å
213	F	98.9	Very high	98.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	143.5	-174.7	-68.4	-93.9	0	0	0	112.4	L211 G215 A216 H229 A246 P247 F248 V273 I290 I291 V292 F308 L312	L211-F213 HydrophobicContact CD2-CE2 4.1Å; L211-F213 HydrophobicContact CD2-CZ 4.16Å; F213-G215 PolarHBondContact O-N 3.38Å; F213-A216 WeakPolarHBondContact O-CB 3.4Å; F213-A216 PolarHBondContact O-N 2.81Å; F213-H229 PolarHBondContact O-CD2 3.03Å; F213-H229 VanDerWaalsContact O-CD2 3.3Å; F213-A246 CarbonylContact C-O 3.39Å; F213-A246 VanDerWaalsContact CA-O 3.29Å; F213-A246 WeakPolarHBondContact CA-O 3.4Å; F213-A246 HydrophobicContact CD1-CB 3.89Å; F213-A246 HydrophobicContact CE1-CB 3.87Å; F213-P247 WeakPolarHBondContact CD1-O 3.26Å; F213-F248 HydrophobicContact CB-CB 4.16Å; F213-F248 HydrophobicContact CB-CD2 4.25Å; F213-F248 HydrophobicContact CD1-CB 4.35Å; F213-F248 HydrophobicContact CD1-CD2 4.14Å; F213-F248 HydrophobicContact CG-CD2 4.22Å; F213-V273 HydrophobicContact CE1-CG2 3.69Å; F213-V273 HydrophobicContact CZ-CG2 3.88Å; F213-I290 HydrophobicContact CE2-CG2 3.82Å; F213-I290 HydrophobicContact CZ-CG2 4.34Å; F213-I291 WeakPolarHBondContact CD2-O 3.35Å; F213-V292 HydrophobicContact CD2-CB 4Å; F213-V292 HydrophobicContact CD2-CG2 3.8Å; F213-V292 HydrophobicContact CE2-CB 3.82Å; F213-V292 HydrophobicContact CE2-CG2 3.81Å; F213-F308 HydrophobicContact CE1-CZ 4.2Å; F213-L312 HydrophobicContact CE1-CD2 4.5Å; F213-L312 HydrophobicContact CE2-CD2 3.99Å; F213-L312 HydrophobicContact CZ-CD1 3.9Å; F213-L312 HydrophobicContact CZ-CD2 3.56Å; F213-L312 HydrophobicContact CZ-CG 4.39Å
214	M	98.9	Very high	98.8	Very high	106 Å²	106	33.4 Å²	33.4	52%	0.522	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	138.8	167.6	-175.5	54.6	65.7	0	0	110	A216 H229 I245 A246 F248 Q296	M214-A216 VanDerWaalsContact C-N 3.3Å; M214-A216 PolarHBondContact O-N 3.13Å; M214-H229 HydrophobicContact CE-CB 4.47Å; M214-H229 HydrophobicContact SD-CB 3.89Å; M214-I245 HydrophobicContact CB-CG2 4.49Å; M214-I245 HydrophobicContact CE-CG2 4.26Å; M214-A246 PolarHBondContact N-O 3.3Å; M214-F248 WeakPolarHBondContact O-CB 3.46Å; M214-Q296 PolarHBondContact O-NE2 2.75Å; M214-Q296 PolarHBondContact O-OE1 2.87Å
215	G	98.6	Very high	98.8	Very high	9 Å²	9	32.8 Å²	32.8	9%	0.093	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.9	-11.7	-173.4	0	0	0	0	0	115.1	F213 H229 G299	F213-G215 PolarHBondContact O-N 3.38Å; G215-H229 WeakPolarHBondContact CA-O 3.29Å; G215-H229 PolarHBondContact N-O 3.44Å; G215-G299 WeakPolarHBondContact O-CA 3.39Å; G215-G299 PolarHBondContact O-N 3.23Å
216	A	98.9	Very high	98.8	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.008	16%	0.157	C	C	.	.			trans	-67.9	155.5	-175	0	0	0	0	0	113.9	F213 M214 T228 H229 S230 E293	F213-A216 WeakPolarHBondContact O-CB 3.4Å; F213-A216 PolarHBondContact O-N 2.81Å; M214-A216 VanDerWaalsContact C-N 3.3Å; M214-A216 PolarHBondContact O-N 3.13Å; A216-T228 CarbonylContact O-C 3.59Å; A216-T228 WeakPolarHBondContact O-CA 3.4Å; A216-H229 CarbonylContact O-C 3.59Å; A216-H229 PolarHBondContact O-N 2.95Å; A216-S230 PolarHBondContact O-N 3.12Å; A216-E293 WeakPolarHBondContact CA-OE2 3.4Å
217	F	98.9	Very high	98.9	Very high	35 Å²	35	28.4 Å²	28.4	15%	0.154	14%	0.141	C	C	.	.			trans	-139.1	110.6	168.5	-176.1	-82.5	0	0	0	111.8	R220 T228 S230 E293 E298	F217-R220 HydrophobicContact CE2-CG 4.31Å; F217-R220 HydrophobicContact CZ-CG 4.07Å; F217-T228 HydrophobicContact CB-CG2 4.45Å; F217-T228 HydrophobicContact CD2-CG2 3.78Å; F217-T228 HydrophobicContact CE2-CG2 4.44Å; F217-T228 HydrophobicContact CG-CG2 4.38Å; F217-S230 WeakPolarHBondContact CD2-OG 3.39Å; F217-E293 PolarHBondContact N-OE2 3.08Å; F217-E298 HydrophobicContact CB-CB 3.66Å; F217-E298 HydrophobicContact CB-CG 3.85Å; F217-E298 HydrophobicContact CD1-CG 3.86Å; F217-E298 HydrophobicContact CD2-CB 3.95Å; F217-E298 HydrophobicContact CD2-CG 3.8Å; F217-E298 HydrophobicContact CE1-CG 4.38Å; F217-E298 HydrophobicContact CE2-CG 4.32Å; F217-E298 HydrophobicContact CG-CB 3.83Å; F217-E298 HydrophobicContact CG-CG 3.56Å
218	H	98.9	Very high	98.9	Very high	3 Å²	3	24.3 Å²	24.3	1%	0.014	12%	0.12	C	C	.	.			trans	-117.6	8.6	-176	-62.4	-54.1	0	0	0	113.3	N168 C224 T227 T228 I291 D326	N168-H218 PolarHBondContact ND2-O 3.46Å; H218-C224 WeakPolarHBondContact O-CB 3.09Å; H218-C224 PolarHBondContact O-SG 3.4Å; H218-T227 WeakPolarHBondContact CB-OG1 3.37Å; H218-T227 PolarHBondContact CD2-O 3.41Å; H218-T228 PolarHBondContact N-OG1 3.17Å; H218-I291 HydrophobicContact CB-CD1 3.9Å; H218-I291 VanDerWaalsContact CG-CD1 3.42Å; H218-D326 IonicContact CE1-OD2 2.67Å; H218-D326 IonicContact CG-OD2 3.34Å; H218-D326 IonicContact ND1-OD2 3.77Å; H218-D326 PolarHBondContact ND1-OD2 2.98Å
219	G	98.6	Very high	98.9	Very high	4 Å²	4	24.6 Å²	24.6	4%	0.041	12%	0.121	C	C	.	.			trans	120.5	-174.5	-179	0	0	0	0	0	113.2	T228	G219-T228 PolarHBondContact N-OG1 3.41Å; G219-T228 PolarHBondContact O-OG1 3.38Å
220	R	98.8	Very high	98.8	Very high	148 Å²	148	25.4 Å²	25.4	56%	0.558	13%	0.127	S	C	*	.	S	Bend	trans	-126.8	-2.7	-169.2	-59	-173.8	-175.5	-142.8	-1.8	115.2	F217 H234	F217-R220 HydrophobicContact CE2-CG 4.31Å; F217-R220 HydrophobicContact CZ-CG 4.07Å; R220-H234 PolarHBondContact NH2-CD2 3.36Å; R220-H234 PolarHBondContact NH2-NE2 2.85Å
221	T	98.9	Very high	98.7	Very high	63 Å²	63	28 Å²	28	39%	0.387	14%	0.139	S	C	.	.	S	Bend	trans	-69.7	156.1	165.1	48.9	0	0	0	0	109.4	E169 G223 C224 L225	E169-T221 VanDerWaalsContact CG-OG1 3.3Å; E169-T221 WeakPolarHBondContact CG-OG1 3.48Å; E169-T221 WeakPolarHBondContact OE1-CB 3.35Å; E169-T221 PolarHBondContact OE1-OG1 3.16Å; T221-G223 VanDerWaalsContact C-N 3.35Å; T221-G223 PolarHBondContact O-N 3.3Å; T221-C224 CarbonylContact O-C 3.56Å; T221-C224 WeakPolarHBondContact O-CB 3.49Å; T221-C224 PolarHBondContact O-N 2.94Å; T221-C224 VanDerWaalsContact O-N 3.17Å; T221-L225 WeakPolarHBondContact O-CB 3.48Å; T221-L225 PolarHBondContact O-N 2.91Å
222	M	98.9	Very high	98.7	Very high	104 Å²	104	31.9 Å²	31.9	51%	0.512	17%	0.171	S	C	.	.	H	α-helix	trans	-57.2	-39.3	-165.3	-66.8	180	74.2	0	0	114.8	L225 A226 P239	M222-L225 PolarHBondContact O-N 3.49Å; M222-A226 PolarHBondContact O-N 3.38Å; M222-A226 VanDerWaalsContact O-N 3.12Å; M222-P239 HydrophobicContact CE-CB 4.04Å; M222-P239 HydrophobicContact CE-CG 4.46Å
223	G	98.8	Very high	98.7	Very high	8 Å²	8	38.2 Å²	38.2	8%	0.082	20%	0.203	C	C	.	.	H	α-helix	trans	-69.4	-48	177.4	0	0	0	0	0	111.7	E169 T221 L225 A226	E169-G223 VanDerWaalsContact OE1-CA 3.28Å; E169-G223 WeakPolarHBondContact OE1-CA 3.37Å; E169-G223 PolarHBondContact OE1-N 2.97Å; E169-G223 WeakPolarHBondContact OE2-CA 3.34Å; T221-G223 VanDerWaalsContact C-N 3.35Å; T221-G223 PolarHBondContact O-N 3.3Å; G223-L225 VanDerWaalsContact C-N 3.27Å; G223-L225 PolarHBondContact O-N 3.13Å; G223-A226 PolarHBondContact O-N 3.48Å
224	C	98.9	Very high	98.7	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-57	-42.1	171.7	-71.4	0	0	0	0	112.3	S165 N168 E169 H218 T221 A226 T227 T228	S165-C224 PolarHBondContact O-SG 2.98Å; N168-C224 VanDerWaalsContact CB-SG 3.54Å; E169-C224 PolarHBondContact OE1-N 3.46Å; H218-C224 WeakPolarHBondContact O-CB 3.09Å; H218-C224 PolarHBondContact O-SG 3.4Å; T221-C224 CarbonylContact O-C 3.56Å; T221-C224 WeakPolarHBondContact O-CB 3.49Å; T221-C224 PolarHBondContact O-N 2.94Å; T221-C224 VanDerWaalsContact O-N 3.17Å; C224-A226 VanDerWaalsContact C-N 3.3Å; C224-A226 PolarHBondContact O-N 3.3Å; C224-T227 CarbonylContact O-C 3.56Å; C224-T227 WeakPolarHBondContact O-CA 3.26Å; C224-T227 PolarHBondContact O-N 2.93Å; C224-T227 PolarHBondContact O-OG1 2.75Å; C224-T228 PolarHBondContact O-N 3.14Å; C224-T228 PolarHBondContact O-OG1 3.03Å
225	L	98.9	Very high	98.6	Very high	8 Å²	8	37 Å²	37	4%	0.042	20%	0.195	C	C	.	.	H	α-helix	trans	-68.4	-31.2	-175	-172.5	63.9	0	0	0	111.5	T221 M222 G223 T227 T228 H234 K235 I238	T221-L225 WeakPolarHBondContact O-CB 3.48Å; T221-L225 PolarHBondContact O-N 2.91Å; M222-L225 PolarHBondContact O-N 3.49Å; G223-L225 VanDerWaalsContact C-N 3.27Å; G223-L225 PolarHBondContact O-N 3.13Å; L225-T227 PolarHBondContact O-N 3.42Å; L225-T228 HydrophobicContact CD1-CG2 4.35Å; L225-T228 PolarHBondContact O-N 3.04Å; L225-H234 VanDerWaalsContact CD1-O 3.26Å; L225-H234 WeakPolarHBondContact CD1-O 3.33Å; L225-K235 HydrophobicContact CD1-CD 3.67Å; L225-K235 HydrophobicContact CD1-CG 4.37Å; L225-K235 HydrophobicContact CG-CD 3.9Å; L225-K235 WeakPolarHBondContact O-CD 3.3Å; L225-K235 PolarHBondContact O-NZ 3.06Å; L225-I238 HydrophobicContact CD2-CB 3.83Å; L225-I238 HydrophobicContact CD2-CG1 3.98Å; L225-I238 HydrophobicContact CD2-CG2 3.67Å
226	A	98.9	Very high	98.6	Very high	3 Å²	3	41.4 Å²	41.4	3%	0.025	22%	0.216	C	C	.	.	H	α-helix	trans	-63.5	-29.4	171.4	0	0	0	0	0	112.8	M222 G223 C224 H229 F241 W243	M222-A226 PolarHBondContact O-N 3.38Å; M222-A226 VanDerWaalsContact O-N 3.12Å; G223-A226 PolarHBondContact O-N 3.48Å; C224-A226 VanDerWaalsContact C-N 3.3Å; C224-A226 PolarHBondContact O-N 3.3Å; A226-H229 PolarHBondContact O-CE1 2.97Å; A226-H229 PolarHBondContact O-NE2 3.36Å; A226-F241 HydrophobicContact CB-CB 4.21Å; A226-F241 HydrophobicContact CB-CD2 3.73Å; A226-F241 HydrophobicContact CB-CG 4.46Å; A226-W243 HydrophobicContact CB-CE3 4.08Å; A226-W243 HydrophobicContact CB-CZ3 4.23Å
227	T	98.9	Very high	98.6	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-91.2	-8.5	175	62.7	0	0	0	0	114.4	I210 S212 H218 C224 L225 H229 W243 I291	I210-T227 HydrophobicContact CB-CG2 4.28Å; I210-T227 HydrophobicContact CG2-CG2 3.93Å; S212-T227 WeakPolarHBondContact CB-O 3.39Å; H218-T227 WeakPolarHBondContact CB-OG1 3.37Å; H218-T227 PolarHBondContact CD2-O 3.41Å; C224-T227 CarbonylContact O-C 3.56Å; C224-T227 WeakPolarHBondContact O-CA 3.26Å; C224-T227 PolarHBondContact O-N 2.93Å; C224-T227 PolarHBondContact O-OG1 2.75Å; L225-T227 PolarHBondContact O-N 3.42Å; T227-H229 PolarHBondContact O-CD2 3.43Å; T227-W243 HydrophobicContact CG2-CE3 3.82Å; T227-W243 HydrophobicContact CG2-CZ3 3.76Å; T227-I291 HydrophobicContact CG2-CG2 3.96Å
228	T	98.9	Very high	98.6	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.266	C	S	.	.			trans	-86.7	132.8	174.8	-71.1	0	0	0	0	110.3	A216 F217 H218 G219 C224 L225 S230 K235	A216-T228 CarbonylContact O-C 3.59Å; A216-T228 WeakPolarHBondContact O-CA 3.4Å; F217-T228 HydrophobicContact CB-CG2 4.45Å; F217-T228 HydrophobicContact CD2-CG2 3.78Å; F217-T228 HydrophobicContact CE2-CG2 4.44Å; F217-T228 HydrophobicContact CG-CG2 4.38Å; H218-T228 PolarHBondContact N-OG1 3.17Å; G219-T228 PolarHBondContact N-OG1 3.41Å; G219-T228 PolarHBondContact O-OG1 3.38Å; C224-T228 PolarHBondContact O-N 3.14Å; C224-T228 PolarHBondContact O-OG1 3.03Å; L225-T228 HydrophobicContact CD1-CG2 4.35Å; L225-T228 PolarHBondContact O-N 3.04Å; T228-S230 WeakPolarHBondContact CG2-OG 3.45Å; T228-K235 VanDerWaalsContact O-CD 3.22Å; T228-K235 WeakPolarHBondContact O-CD 3.23Å; T228-K235 VanDerWaalsContact O-CE 3.29Å; T228-K235 WeakPolarHBondContact O-CE 3.39Å; T228-K235 PolarHBondContact O-NZ 3.44Å
229	H	98.8	Very high	98.6	Very high	23 Å²	23	55 Å²	55	11%	0.106	29%	0.294	C	S	.	.			trans	-139.9	43.9	178.7	-53.7	-68.5	0	0	0	111.3	S212 F213 M214 G215 A216 A226 T227 I245	S212-H229 PolarHBondContact OG-NE2 3.04Å; F213-H229 PolarHBondContact O-CD2 3.03Å; F213-H229 VanDerWaalsContact O-CD2 3.3Å; M214-H229 HydrophobicContact CE-CB 4.47Å; M214-H229 HydrophobicContact SD-CB 3.89Å; G215-H229 WeakPolarHBondContact CA-O 3.29Å; G215-H229 PolarHBondContact N-O 3.44Å; A216-H229 CarbonylContact O-C 3.59Å; A216-H229 PolarHBondContact O-N 2.95Å; A226-H229 PolarHBondContact O-CE1 2.97Å; A226-H229 PolarHBondContact O-NE2 3.36Å; T227-H229 PolarHBondContact O-CD2 3.43Å; H229-I245 WeakPolarHBondContact CE1-CD1 3.39Å
230	S	97.4	Very high	98.6	Very high	18 Å²	18	58.2 Å²	58.2	13%	0.126	32%	0.316	C	S	.	.	S	Bend	trans	-89.2	-54.9	-170.1	50.4	0	0	0	0	114.3	A216 F217 T228 H234	A216-S230 PolarHBondContact O-N 3.12Å; F217-S230 WeakPolarHBondContact CD2-OG 3.39Å; T228-S230 WeakPolarHBondContact CG2-OG 3.45Å; S230-H234 PolarHBondContact OG-ND1 3.36Å
231	K	98.2	Very high	98.6	Very high	56 Å²	56	56.2 Å²	56.2	24%	0.243	31%	0.311	C	S	.	.			trans	-144.9	142.8	-178.3	-59.5	-174.9	176	71.5	0	109.6	I233 H234 E298 G468	K231-I233 VanDerWaalsContact C-N 3.28Å; K231-I233 HydrophobicContact CB-CG2 4.2Å; K231-I233 PolarHBondContact O-N 3.07Å; K231-H234 WeakPolarHBondContact O-CB 3.47Å; K231-H234 PolarHBondContact O-N 2.96Å; K231-E298 PolarHBondContact NZ-O 3.1Å; K231-E298 IonicContact NZ-OE2 3.57Å; K231-G468 WeakPolarHBondContact CE-O 3.34Å
232	A	98.2	Very high	98.6	Very high	81 Å²	81	57 Å²	57	67%	0.669	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-57.4	-40.3	-178.7	0	0	0	0	0	112.7	H234 K235 I236	A232-H234 PolarHBondContact O-N 2.89Å; A232-H234 VanDerWaalsContact O-N 3.08Å; A232-K235 PolarHBondContact O-N 3.25Å; A232-I236 PolarHBondContact O-N 3.31Å
233	I	98.2	Very high	98.6	Very high	133 Å²	133	53 Å²	53	68%	0.682	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-62.1	-18	179.1	-163.7	58.2	0	0	0	113.8	K231	K231-I233 VanDerWaalsContact C-N 3.28Å; K231-I233 HydrophobicContact CB-CG2 4.2Å; K231-I233 PolarHBondContact O-N 3.07Å
234	H	98.6	Very high	98.6	Very high	29 Å²	29	52.6 Å²	52.6	13%	0.134	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-80.6	-19.8	173.6	-59.7	160.2	0	0	0	112.7	R220 L225 S230 K231 A232	R220-H234 PolarHBondContact NH2-CD2 3.36Å; R220-H234 PolarHBondContact NH2-NE2 2.85Å; L225-H234 VanDerWaalsContact CD1-O 3.26Å; L225-H234 WeakPolarHBondContact CD1-O 3.33Å; S230-H234 PolarHBondContact OG-ND1 3.36Å; K231-H234 WeakPolarHBondContact O-CB 3.47Å; K231-H234 PolarHBondContact O-N 2.96Å; A232-H234 PolarHBondContact O-N 2.89Å; A232-H234 VanDerWaalsContact O-N 3.08Å
235	K	98.8	Very high	98.6	Very high	50 Å²	50	56.2 Å²	56.2	22%	0.217	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.9	-31.5	-162	-68.7	-80.2	-71.2	-151.9	0	114	L225 T228 A232 I238	L225-K235 HydrophobicContact CD1-CD 3.67Å; L225-K235 HydrophobicContact CD1-CG 4.37Å; L225-K235 HydrophobicContact CG-CD 3.9Å; L225-K235 WeakPolarHBondContact O-CD 3.3Å; L225-K235 PolarHBondContact O-NZ 3.06Å; T228-K235 VanDerWaalsContact O-CD 3.22Å; T228-K235 WeakPolarHBondContact O-CD 3.23Å; T228-K235 VanDerWaalsContact O-CE 3.29Å; T228-K235 WeakPolarHBondContact O-CE 3.39Å; T228-K235 PolarHBondContact O-NZ 3.44Å; A232-K235 PolarHBondContact O-N 3.25Å; K235-I238 PolarHBondContact O-N 3.42Å
236	I	98.5	Very high	98.6	Very high	103 Å²	103	55.9 Å²	55.9	53%	0.528	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	144.9	-176.7	-164	166.3	0	0	0	110.9	A232 I238	A232-I236 PolarHBondContact O-N 3.31Å; I236-I238 PolarHBondContact O-N 2.82Å; I236-I238 VanDerWaalsContact O-N 3.13Å
237	D	98.6	Very high	98.6	Very high	151 Å²	151	57 Å²	57	81%	0.807	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.8	4.5	178.4	-49.7	-39	0	0	0	117
238	I	98.8	Very high	98.6	Very high	81 Å²	81	57.8 Å²	57.8	42%	0.415	32%	0.316	S	S	.	.	S	Bend	trans	-107.2	127.2	177.5	-47.2	-58.4	0	0	0	110.8	L225 K235 I236	L225-I238 HydrophobicContact CD2-CB 3.83Å; L225-I238 HydrophobicContact CD2-CG1 3.98Å; L225-I238 HydrophobicContact CD2-CG2 3.67Å; K235-I238 PolarHBondContact O-N 3.42Å; I236-I238 PolarHBondContact O-N 2.82Å; I236-I238 VanDerWaalsContact O-N 3.13Å
239	P	98.8	Very high	98.6	Very high	93 Å²	93	57.8 Å²	57.8	60%	0.604	32%	0.316	S	S	*	.			trans	-54.6	147	172	-25.5	34.3	0	0	0	112.3	M222	M222-P239 HydrophobicContact CE-CB 4.04Å; M222-P239 HydrophobicContact CE-CG 4.46Å
240	S	98.8	Very high	98.6	Very high	70 Å²	70	64.4 Å²	64.4	49%	0.49	34%	0.34	S	S	.	.			trans	-138.6	177	-176.9	-148.4	0	0	0	0	112.4
241	F	98.8	Very high	98.7	Very high	107 Å²	107	64.2 Å²	64.2	47%	0.469	34%	0.337	S	S	.	.			trans	-104.3	139.6	177.6	-63.3	-84.9	0	0	0	110.2	A226 W243	A226-F241 HydrophobicContact CB-CB 4.21Å; A226-F241 HydrophobicContact CB-CD2 3.73Å; A226-F241 HydrophobicContact CB-CG 4.46Å; F241-W243 HydrophobicContact CB-CD2 3.81Å; F241-W243 HydrophobicContact CB-CG 3.87Å; F241-W243 HydrophobicContact CB-CZ2 4.27Å; F241-W243 HydrophobicContact CD1-CZ2 4.42Å; F241-W243 HydrophobicContact CD2-CH2 4.41Å; F241-W243 HydrophobicContact CD2-CZ2 4.26Å; F241-W243 HydrophobicContact CG-CD2 4.48Å; F241-W243 AromaticContact CG-CE2 3.96Å; F241-W243 HydrophobicContact CG-CZ2 4.07Å; F241-W243 PolarHBondContact O-N 3.09Å
242	D	98.8	Very high	98.7	Very high	78 Å²	78	66.9 Å²	66.9	42%	0.417	35%	0.349	S	S	.	.			trans	-72.3	80.8	167.6	175.9	20.6	0	0	0	109.1	Y280 K283	D242-Y280 WeakPolarHBondContact O-CE1 3.32Å; D242-Y280 PolarHBondContact OD1-OH 2.84Å; D242-K283 IonicContact OD2-NZ 2.77Å
243	W	98.9	Very high	98.7	Very high	21 Å²	21	64.9 Å²	64.9	8%	0.08	32%	0.324	C	S	.	.			trans	-114	151.7	175.8	-71.4	-4.5	0	0	0	110.4	L172 F176 Y208 S209 I210 A226 T227 F241	L172-W243 HydrophobicContact CD1-CH2 4.24Å; L172-W243 HydrophobicContact CD1-CZ3 4.12Å; F176-W243 HydrophobicContact CE2-CH2 4.38Å; F176-W243 HydrophobicContact CE2-CZ2 4.46Å; F176-W243 AromaticContact CZ-CH2 3.89Å; F176-W243 HydrophobicContact CZ-CH2 3.89Å; F176-W243 AromaticContact CZ-CZ2 3.79Å; F176-W243 HydrophobicContact CZ-CZ2 3.79Å; Y208-W243 PolarHBondContact O-NE1 3.32Å; S209-W243 VanDerWaalsContact CA-CD1 3.49Å; I210-W243 HydrophobicContact CB-CD2 4.37Å; I210-W243 HydrophobicContact CB-CE3 3.78Å; I210-W243 HydrophobicContact CB-CH2 4.44Å; I210-W243 HydrophobicContact CB-CZ3 3.83Å; I210-W243 HydrophobicContact CG1-CE3 4.37Å; I210-W243 HydrophobicContact CG1-CH2 4.15Å; I210-W243 HydrophobicContact CG1-CZ3 4.01Å; A226-W243 HydrophobicContact CB-CE3 4.08Å; A226-W243 HydrophobicContact CB-CZ3 4.23Å; T227-W243 HydrophobicContact CG2-CE3 3.82Å; T227-W243 HydrophobicContact CG2-CZ3 3.76Å; F241-W243 HydrophobicContact CB-CD2 3.81Å; F241-W243 HydrophobicContact CB-CG 3.87Å; F241-W243 HydrophobicContact CB-CZ2 4.27Å; F241-W243 HydrophobicContact CD1-CZ2 4.42Å; F241-W243 HydrophobicContact CD2-CH2 4.41Å; F241-W243 HydrophobicContact CD2-CZ2 4.26Å; F241-W243 HydrophobicContact CG-CD2 4.48Å; F241-W243 AromaticContact CG-CE2 3.96Å; F241-W243 HydrophobicContact CG-CZ2 4.07Å; F241-W243 PolarHBondContact O-N 3.09Å
244	P	98.9	Very high	98.8	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	31%	0.307	C	S	.	.			trans	-67.7	138.8	-178.2	17.5	-18.5	0	0	0	112.4	L211 S212 L276 Y280 V287	L211-P244 WeakPolarHBondContact CA-O 3.38Å; L211-P244 HydrophobicContact CB-CB 4.43Å; L211-P244 HydrophobicContact CB-CG 3.88Å; L211-P244 HydrophobicContact CD1-CB 4.03Å; L211-P244 HydrophobicContact CD1-CG 4.14Å; L211-P244 HydrophobicContact CG-CB 4.11Å; L211-P244 HydrophobicContact CG-CG 4.11Å; S212-P244 PolarHBondContact N-O 3.32Å; S212-P244 VanDerWaalsContact N-O 3.11Å; P244-L276 HydrophobicContact CB-CB 3.98Å; P244-L276 HydrophobicContact CB-CD1 4.28Å; P244-L276 HydrophobicContact CB-CD2 4.14Å; P244-L276 HydrophobicContact CB-CG 4.37Å; P244-Y280 HydrophobicContact CB-CD1 4.5Å; P244-Y280 HydrophobicContact CB-CD2 3.6Å; P244-Y280 HydrophobicContact CB-CE1 4.47Å; P244-Y280 HydrophobicContact CB-CE2 3.53Å; P244-Y280 HydrophobicContact CB-CG 4.1Å; P244-Y280 HydrophobicContact CG-CD1 4.06Å; P244-Y280 HydrophobicContact CG-CD2 3.86Å; P244-Y280 HydrophobicContact CG-CE1 4.35Å; P244-Y280 HydrophobicContact CG-CE2 4.13Å; P244-Y280 HydrophobicContact CG-CG 3.82Å; P244-V287 HydrophobicContact CG-CG2 3.72Å
245	I	98.9	Very high	98.7	Very high	75 Å²	75	62.9 Å²	62.9	39%	0.385	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	108.3	178.3	-49.8	168.3	0	0	0	107.5	S212 M214 H229 L276	S212-I245 CarbonylContact O-C 3.28Å; S212-I245 WeakPolarHBondContact O-CA 3.42Å; M214-I245 HydrophobicContact CB-CG2 4.49Å; M214-I245 HydrophobicContact CE-CG2 4.26Å; H229-I245 WeakPolarHBondContact CE1-CD1 3.39Å; I245-L276 WeakPolarHBondContact O-CD1 3.49Å
246	A	98.9	Very high	98.7	Very high	1 Å²	1	67.8 Å²	67.8	1%	0.008	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	154.7	177.4	0	0	0	0	0	111.4	L211 S212 F213 M214 V273 L276	L211-A246 HydrophobicContact CD2-CB 3.98Å; S212-A246 PolarHBondContact O-N 3.04Å; F213-A246 CarbonylContact C-O 3.39Å; F213-A246 VanDerWaalsContact CA-O 3.29Å; F213-A246 WeakPolarHBondContact CA-O 3.4Å; F213-A246 HydrophobicContact CD1-CB 3.89Å; F213-A246 HydrophobicContact CE1-CB 3.87Å; M214-A246 PolarHBondContact N-O 3.3Å; A246-V273 HydrophobicContact CB-CG2 3.53Å; A246-L276 HydrophobicContact CB-CD1 3.86Å
247	P	98.9	Very high	98.7	Very high	27 Å²	27	69.5 Å²	69.5	18%	0.175	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-68.9	139.1	167.9	31.4	-36.7	0	0	0	110.8	F213 C269 E272	F213-P247 WeakPolarHBondContact CD1-O 3.26Å; P247-C269 HydrophobicContact CG-CB 4.33Å; P247-C269 PolarHBondContact O-SG 3.31Å; P247-E272 VanDerWaalsContact CD-OE2 3.31Å; P247-E272 WeakPolarHBondContact CD-OE2 3.48Å; P247-E272 HydrophobicContact CG-CB 4.23Å; P247-E272 VanDerWaalsContact CG-OE2 3.25Å; P247-E272 WeakPolarHBondContact CG-OE2 3.4Å
248	F	98.9	Very high	98.7	Very high	16 Å²	16	65 Å²	65	7%	0.07	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-90.8	140.8	165	-166.4	-92.8	0	0	0	109.7	F213 M214 R250 V292 Q296 N302 A304 F308 F309	F213-F248 HydrophobicContact CB-CB 4.16Å; F213-F248 HydrophobicContact CB-CD2 4.25Å; F213-F248 HydrophobicContact CD1-CB 4.35Å; F213-F248 HydrophobicContact CD1-CD2 4.14Å; F213-F248 HydrophobicContact CG-CD2 4.22Å; M214-F248 WeakPolarHBondContact O-CB 3.46Å; F248-R250 PolarHBondContact O-N 3.12Å; F248-V292 HydrophobicContact CE2-CG2 4.18Å; F248-Q296 HydrophobicContact CD1-CG 4.31Å; F248-Q296 HydrophobicContact CD2-CG 4.08Å; F248-Q296 HydrophobicContact CE1-CG 4.34Å; F248-Q296 HydrophobicContact CE2-CG 4.1Å; F248-Q296 HydrophobicContact CG-CG 4.18Å; F248-Q296 HydrophobicContact CZ-CG 4.23Å; F248-N302 HydrophobicContact CD1-CB 3.7Å; F248-N302 HydrophobicContact CE1-CB 3.7Å; F248-A304 HydrophobicContact CE1-CB 4.14Å; F248-A304 HydrophobicContact CZ-CB 3.84Å; F248-F308 HydrophobicContact CE2-CE1 4.18Å; F248-F309 HydrophobicContact CE2-CE1 4.39Å; F248-F309 HydrophobicContact CE2-CZ 4.23Å; F248-F309 HydrophobicContact CZ-CZ 4.08Å
249	P	98.8	Very high	98.7	Very high	1 Å²	1	64.7 Å²	64.7	1%	0.006	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-57.8	131.7	-177.4	-25	33.5	0	0	0	112.9	L251 E265 E266 C269 A304 F308	P249-L251 HydrophobicContact CB-CD2 4.42Å; P249-E265 HydrophobicContact CB-CG 4.27Å; P249-E266 HydrophobicContact CB-CG 3.77Å; P249-E266 HydrophobicContact CG-CB 4.46Å; P249-E266 HydrophobicContact CG-CG 3.85Å; P249-C269 HydrophobicContact CG-CB 4.03Å; P249-A304 HydrophobicContact CB-CB 4.47Å; P249-A304 HydrophobicContact CG-CB 4.19Å; P249-F308 HydrophobicContact CG-CD1 4.48Å; P249-F308 HydrophobicContact CG-CD2 3.72Å; P249-F308 HydrophobicContact CG-CE1 4.31Å; P249-F308 HydrophobicContact CG-CE2 3.51Å; P249-F308 HydrophobicContact CG-CG 4.21Å; P249-F308 HydrophobicContact CG-CZ 3.83Å
250	R	98.8	Very high	98.6	Very high	161 Å²	161	67.6 Å²	67.6	61%	0.608	33%	0.326	S	S	*	.			trans	-104.2	89.6	172.5	-172.9	176.4	178.7	160.4	1.3	110.9	F248 E265	F248-R250 PolarHBondContact O-N 3.12Å; R250-E265 PolarHBondContact N-OE1 3.36Å
251	L	98.8	Very high	98.7	Very high	14 Å²	14	67.9 Å²	67.9	7%	0.073	32%	0.32	C	S	.	.			trans	-61.9	140.2	180	-53.7	-174.7	0	0	0	112.7	P249 Y253 L255 N262 E266 H303 R432	P249-L251 HydrophobicContact CB-CD2 4.42Å; L251-Y253 HydrophobicContact CB-CE2 3.85Å; L251-Y253 WeakPolarHBondContact O-CD2 3.42Å; L251-Y253 WeakPolarHBondContact O-CE2 3.49Å; L251-L255 HydrophobicContact CB-CD2 4.29Å; L251-L255 HydrophobicContact CD1-CD2 4.05Å; L251-N262 WeakPolarHBondContact CA-OD1 3.2Å; L251-N262 HydrophobicContact CD2-CB 3.91Å; L251-E266 HydrophobicContact CD2-CG 4.24Å; L251-H303 WeakPolarHBondContact CD1-O 3.05Å; L251-H303 WeakPolarHBondContact CG-O 3.43Å; L251-R432 PolarHBondContact O-NH2 3.16Å
252	K	98.8	Very high	98.7	Very high	113 Å²	113	63.4 Å²	63.4	49%	0.491	30%	0.301	S	S	.	.			trans	-87.7	147.7	167	-65.3	-177.7	-178.6	176.4	0	110	F258 E261 N262	K252-F258 HydrophobicContact CB-CB 3.69Å; K252-F258 HydrophobicContact CB-CD1 3.91Å; K252-F258 HydrophobicContact CB-CD2 3.71Å; K252-F258 HydrophobicContact CB-CE1 4.49Å; K252-F258 HydrophobicContact CB-CE2 4.33Å; K252-F258 HydrophobicContact CB-CG 3.48Å; K252-F258 VanDerWaalsContact CB-CG 3.48Å; K252-F258 HydrophobicContact CD-CD1 3.67Å; K252-F258 HydrophobicContact CD-CE1 3.98Å; K252-F258 HydrophobicContact CD-CG 4.14Å; K252-F258 HydrophobicContact CG-CD1 4.47Å; K252-F258 HydrophobicContact CG-CG 4.47Å; K252-E261 HydrophobicContact CD-CB 4.37Å; K252-N262 PolarHBondContact N-OD1 3.04Å; K252-N262 PolarHBondContact O-ND2 2.77Å
253	Y	98.5	Very high	98.6	Very high	38 Å²	38	65.5 Å²	65.5	15%	0.149	31%	0.308	C	S	.	.	S	Bend	trans	-131.5	147.5	-174.8	-69.5	-98.4	0	0	0	110	L251 L255 F258 R432 R434	L251-Y253 HydrophobicContact CB-CE2 3.85Å; L251-Y253 WeakPolarHBondContact O-CD2 3.42Å; L251-Y253 WeakPolarHBondContact O-CE2 3.49Å; Y253-L255 HydrophobicContact CD1-CD2 3.94Å; Y253-L255 HydrophobicContact CD1-CG 3.86Å; Y253-L255 HydrophobicContact CE1-CD1 4.15Å; Y253-L255 HydrophobicContact CE1-CD2 3.65Å; Y253-L255 HydrophobicContact CE1-CG 3.74Å; Y253-L255 HydrophobicContact CG-CD2 4.48Å; Y253-F258 WeakPolarHBondContact O-CE2 3.46Å; Y253-R432 HydrophobicContact CD2-CB 4.04Å; Y253-R432 HydrophobicContact CD2-CG 4.23Å; Y253-R432 HydrophobicContact CG-CB 4.27Å; Y253-R434 HydrophobicContact CE1-CB 3.64Å; Y253-R434 WeakPolarHBondContact OH-CD 3.47Å
254	P	98.3	Very high	98.6	Very high	50 Å²	50	70.8 Å²	70.8	33%	0.325	33%	0.333	S	S	.	.	S	Bend	cis	-65.1	145.4	0.4	-20.6	34	0	0	0	113.6	E256 E257 F258	P254-E256 PolarHBondContact O-N 3.09Å; P254-E257 HydrophobicContact CB-CG 4.47Å; P254-E257 PolarHBondContact O-N 3.03Å; P254-F258 WeakPolarHBondContact O-CD2 3.23Å
255	L	98	Very high	98.6	Very high	71 Å²	71	72.9 Å²	72.9	37%	0.372	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-33.7	-170	-68.9	176.7	0	0	0	112.2	L251 Y253 E257 F258 V259	L251-L255 HydrophobicContact CB-CD2 4.29Å; L251-L255 HydrophobicContact CD1-CD2 4.05Å; Y253-L255 HydrophobicContact CD1-CD2 3.94Å; Y253-L255 HydrophobicContact CD1-CG 3.86Å; Y253-L255 HydrophobicContact CE1-CD1 4.15Å; Y253-L255 HydrophobicContact CE1-CD2 3.65Å; Y253-L255 HydrophobicContact CE1-CG 3.74Å; Y253-L255 HydrophobicContact CG-CD2 4.48Å; L255-E257 PolarHBondContact O-N 3.42Å; L255-F258 PolarHBondContact O-N 3.22Å; L255-V259 PolarHBondContact O-N 2.92Å
256	E	97.6	Very high	98.6	Very high	153 Å²	153	69.9 Å²	69.9	72%	0.715	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-25.5	-178.1	-58.2	71.8	-155.3	0	0	112.2	P254	P254-E256 PolarHBondContact O-N 3.09Å
257	E	98.5	Very high	98.6	Very high	139 Å²	139	71.8 Å²	71.8	65%	0.65	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-27.1	179.6	-66.7	-179.1	-158.3	0	0	112.7	P254 L255	P254-E257 HydrophobicContact CB-CG 4.47Å; P254-E257 PolarHBondContact O-N 3.03Å; L255-E257 PolarHBondContact O-N 3.42Å
258	F	98.6	Very high	98.6	Very high	57 Å²	57	74.8 Å²	74.8	25%	0.25	35%	0.351	C	S	.	.			trans	-114.7	30.2	-171.8	-65.7	-76.3	0	0	0	113.6	K252 Y253 P254 L255 K260 E261 N262	K252-F258 HydrophobicContact CB-CB 3.69Å; K252-F258 HydrophobicContact CB-CD1 3.91Å; K252-F258 HydrophobicContact CB-CD2 3.71Å; K252-F258 HydrophobicContact CB-CE1 4.49Å; K252-F258 HydrophobicContact CB-CE2 4.33Å; K252-F258 HydrophobicContact CB-CG 3.48Å; K252-F258 VanDerWaalsContact CB-CG 3.48Å; K252-F258 HydrophobicContact CD-CD1 3.67Å; K252-F258 HydrophobicContact CD-CE1 3.98Å; K252-F258 HydrophobicContact CD-CG 4.14Å; K252-F258 HydrophobicContact CG-CD1 4.47Å; K252-F258 HydrophobicContact CG-CG 4.47Å; Y253-F258 WeakPolarHBondContact O-CE2 3.46Å; P254-F258 WeakPolarHBondContact O-CD2 3.23Å; L255-F258 PolarHBondContact O-N 3.22Å; F258-K260 VanDerWaalsContact C-N 3.32Å; F258-K260 PolarHBondContact O-N 3.38Å; F258-E261 WeakPolarHBondContact CA-OE2 3.19Å; F258-E261 HydrophobicContact CB-CB 4.47Å; F258-E261 HydrophobicContact CD1-CG 4.32Å; F258-E261 PolarHBondContact O-N 2.96Å; F258-N262 VanDerWaalsContact O-CB 3.23Å; F258-N262 WeakPolarHBondContact O-CB 3.37Å; F258-N262 PolarHBondContact O-N 3.25Å; F258-N262 PolarHBondContact O-ND2 3.11Å
259	V	98.7	Very high	98.6	Very high	74 Å²	74	74 Å²	74	45%	0.448	35%	0.348	S	S	.	.	H	α-helix	trans	-54.5	-46.3	-175.3	177.3	0	0	0	0	112	L255 Q263	L255-V259 PolarHBondContact O-N 2.92Å; V259-Q263 VanDerWaalsContact O-CG 3.26Å; V259-Q263 WeakPolarHBondContact O-CG 3.35Å; V259-Q263 PolarHBondContact O-N 2.91Å; V259-Q263 VanDerWaalsContact O-N 3.13Å
260	K	98.5	Very high	98.6	Very high	153 Å²	153	74.6 Å²	74.6	67%	0.665	35%	0.351	S	S	*	.	H	α-helix	trans	-71.9	-44.7	-176.7	-71.1	-175.3	179.2	179.2	0	112	F258 N262 Q263 Q264	F258-K260 VanDerWaalsContact C-N 3.32Å; F258-K260 PolarHBondContact O-N 3.38Å; K260-N262 VanDerWaalsContact C-N 3.3Å; K260-N262 PolarHBondContact O-N 3.23Å; K260-Q263 PolarHBondContact O-N 3.22Å; K260-Q264 VanDerWaalsContact O-CG 3.29Å; K260-Q264 WeakPolarHBondContact O-CG 3.32Å; K260-Q264 PolarHBondContact O-N 2.88Å
261	E	98.8	Very high	98.6	Very high	76 Å²	76	73 Å²	73	36%	0.355	35%	0.35	S	S	.	.	H	α-helix	trans	-62.6	-41	179.8	-66	79.7	176.3	0	0	110.9	K252 F258 Q264 E265	K252-E261 HydrophobicContact CD-CB 4.37Å; F258-E261 WeakPolarHBondContact CA-OE2 3.19Å; F258-E261 HydrophobicContact CB-CB 4.47Å; F258-E261 HydrophobicContact CD1-CG 4.32Å; F258-E261 PolarHBondContact O-N 2.96Å; E261-Q264 PolarHBondContact O-N 3.03Å; E261-E265 WeakPolarHBondContact O-CB 3.4Å; E261-E265 PolarHBondContact O-N 3.43Å
262	N	98.8	Very high	98.7	Very high	13 Å²	13	75.8 Å²	75.8	7%	0.07	36%	0.363	C	S	.	.	H	α-helix	trans	-67	-41.6	177.4	-74.2	-20	0	0	0	111.6	L251 K252 F258 K260 Q264 E265 E266	L251-N262 WeakPolarHBondContact CA-OD1 3.2Å; L251-N262 HydrophobicContact CD2-CB 3.91Å; K252-N262 PolarHBondContact N-OD1 3.04Å; K252-N262 PolarHBondContact O-ND2 2.77Å; F258-N262 VanDerWaalsContact O-CB 3.23Å; F258-N262 WeakPolarHBondContact O-CB 3.37Å; F258-N262 PolarHBondContact O-N 3.25Å; F258-N262 PolarHBondContact O-ND2 3.11Å; K260-N262 VanDerWaalsContact C-N 3.3Å; K260-N262 PolarHBondContact O-N 3.23Å; N262-Q264 VanDerWaalsContact C-N 3.35Å; N262-Q264 PolarHBondContact O-N 3.3Å; N262-E265 PolarHBondContact O-N 2.99Å; N262-E266 WeakPolarHBondContact O-CG 3.24Å; N262-E266 PolarHBondContact O-N 3.05Å
263	Q	98.8	Very high	98.7	Very high	122 Å²	122	70.4 Å²	70.4	57%	0.57	34%	0.339	S	S	*	.	H	α-helix	trans	-62.5	-40.6	173.7	-74.9	172.2	-5.4	0	0	112.4	V259 K260 A267	V259-Q263 VanDerWaalsContact O-CG 3.26Å; V259-Q263 WeakPolarHBondContact O-CG 3.35Å; V259-Q263 PolarHBondContact O-N 2.91Å; V259-Q263 VanDerWaalsContact O-N 3.13Å; K260-Q263 PolarHBondContact O-N 3.22Å; Q263-A267 VanDerWaalsContact O-CB 3.31Å; Q263-A267 WeakPolarHBondContact O-CB 3.25Å; Q263-A267 PolarHBondContact O-N 2.98Å
264	Q	98.8	Very high	98.7	Very high	132 Å²	132	71 Å²	71	62%	0.617	34%	0.343	S	S	*	.	H	α-helix	trans	-66	-42.3	176.8	-73.4	169.9	-9.4	0	0	112	K260 E261 N262 A267 R268	K260-Q264 VanDerWaalsContact O-CG 3.29Å; K260-Q264 WeakPolarHBondContact O-CG 3.32Å; K260-Q264 PolarHBondContact O-N 2.88Å; E261-Q264 PolarHBondContact O-N 3.03Å; N262-Q264 VanDerWaalsContact C-N 3.35Å; N262-Q264 PolarHBondContact O-N 3.3Å; Q264-A267 PolarHBondContact O-N 2.73Å; Q264-R268 WeakPolarHBondContact O-CB 3.1Å; Q264-R268 PolarHBondContact O-N 2.98Å
265	E	98.9	Very high	98.7	Very high	44 Å²	44	73.9 Å²	73.9	21%	0.206	36%	0.356	C	S	.	.	H	α-helix	trans	-64.2	-44.8	177	172.7	60.7	178.8	0	0	111.8	P249 R250 E261 N262 R268 C269	P249-E265 HydrophobicContact CB-CG 4.27Å; R250-E265 PolarHBondContact N-OE1 3.36Å; E261-E265 WeakPolarHBondContact O-CB 3.4Å; E261-E265 PolarHBondContact O-N 3.43Å; N262-E265 PolarHBondContact O-N 2.99Å; E265-R268 PolarHBondContact O-N 3.49Å; E265-R268 IonicContact OE1-CZ 2.76Å; E265-R268 IonicContact OE1-NH2 3.93Å; E265-R268 PolarHBondContact OE1-NH2 3.17Å; E265-R268 IonicContact OE2-CZ 3.28Å; E265-R268 IonicContact OE2-NE 3.86Å; E265-R268 PolarHBondContact OE2-NE 2.91Å; E265-R268 IonicContact OE2-NH2 3.9Å; E265-R268 PolarHBondContact OE2-NH2 2.88Å; E265-C269 PolarHBondContact O-N 2.67Å; E265-C269 PolarHBondContact O-SG 2.94Å
266	E	98.9	Very high	98.8	Very high	13 Å²	13	71.8 Å²	71.8	6%	0.061	35%	0.345	C	S	.	.	H	α-helix	trans	-62.6	-42.8	175.3	-73.5	-177.4	170.6	0	0	112	P249 L251 N262 C269 L270 S305 F308	P249-E266 HydrophobicContact CB-CG 3.77Å; P249-E266 HydrophobicContact CG-CB 4.46Å; P249-E266 HydrophobicContact CG-CG 3.85Å; L251-E266 HydrophobicContact CD2-CG 4.24Å; N262-E266 WeakPolarHBondContact O-CG 3.24Å; N262-E266 PolarHBondContact O-N 3.05Å; E266-C269 PolarHBondContact O-N 2.78Å; E266-L270 VanDerWaalsContact O-CG 3.29Å; E266-L270 WeakPolarHBondContact O-CG 3.3Å; E266-L270 PolarHBondContact O-N 3.3Å; E266-S305 VanDerWaalsContact CD-OG 3.3Å; E266-S305 VanDerWaalsContact OE1-CB 3.31Å; E266-S305 WeakPolarHBondContact OE1-CB 3.23Å; E266-S305 PolarHBondContact OE1-N 2.95Å; E266-S305 PolarHBondContact OE1-OG 3.37Å; E266-S305 WeakPolarHBondContact OE2-CB 3.37Å; E266-S305 PolarHBondContact OE2-OG 3.38Å; E266-F308 HydrophobicContact CB-CB 4.44Å; E266-F308 HydrophobicContact CB-CD2 4.1Å; E266-F308 HydrophobicContact CG-CB 4.22Å; E266-F308 HydrophobicContact CG-CD2 4.26Å
267	A	98.9	Very high	98.8	Very high	40 Å²	40	64.6 Å²	64.6	33%	0.331	31%	0.312	S	S	.	.	H	α-helix	trans	-61.4	-46.8	176.6	0	0	0	0	0	111.9	Q263 Q264 C269 L270 E271	Q263-A267 VanDerWaalsContact O-CB 3.31Å; Q263-A267 WeakPolarHBondContact O-CB 3.25Å; Q263-A267 PolarHBondContact O-N 2.98Å; Q264-A267 PolarHBondContact O-N 2.73Å; A267-C269 VanDerWaalsContact C-N 3.34Å; A267-C269 PolarHBondContact O-N 2.83Å; A267-L270 WeakPolarHBondContact O-CB 3.32Å; A267-L270 PolarHBondContact O-N 2.91Å; A267-L270 VanDerWaalsContact O-N 3.14Å; A267-E271 WeakPolarHBondContact O-CG 3.26Å; A267-E271 PolarHBondContact O-N 2.73Å
268	R	98.9	Very high	98.8	Very high	91 Å²	91	60.5 Å²	60.5	34%	0.343	30%	0.296	S	S	.	.	H	α-helix	trans	-57.7	-45.5	176.4	-175.7	-167.1	65.3	77.2	1.4	111.6	Q264 E265 L270 E271 E272	Q264-R268 WeakPolarHBondContact O-CB 3.1Å; Q264-R268 PolarHBondContact O-N 2.98Å; E265-R268 PolarHBondContact O-N 3.49Å; E265-R268 IonicContact OE1-CZ 2.76Å; E265-R268 IonicContact OE1-NH2 3.93Å; E265-R268 PolarHBondContact OE1-NH2 3.17Å; E265-R268 IonicContact OE2-CZ 3.28Å; E265-R268 IonicContact OE2-NE 3.86Å; E265-R268 PolarHBondContact OE2-NE 2.91Å; E265-R268 IonicContact OE2-NH2 3.9Å; E265-R268 PolarHBondContact OE2-NH2 2.88Å; R268-L270 VanDerWaalsContact C-N 3.33Å; R268-L270 PolarHBondContact O-N 2.71Å; R268-E271 PolarHBondContact O-N 3.04Å; R268-E272 IonicContact CZ-OE1 3.77Å; R268-E272 IonicContact NH1-OE1 3.75Å; R268-E272 PolarHBondContact NH1-OE1 3.22Å; R268-E272 IonicContact NH1-OE2 2.71Å; R268-E272 PolarHBondContact O-N 3.46Å
269	C	98.9	Very high	98.8	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-60.1	-41.9	176.2	-76.3	0	0	0	0	112.4	P247 P249 E265 E266 A267 E272 V273 F308	P247-C269 HydrophobicContact CG-CB 4.33Å; P247-C269 PolarHBondContact O-SG 3.31Å; P249-C269 HydrophobicContact CG-CB 4.03Å; E265-C269 PolarHBondContact O-N 2.67Å; E265-C269 PolarHBondContact O-SG 2.94Å; E266-C269 PolarHBondContact O-N 2.78Å; A267-C269 VanDerWaalsContact C-N 3.34Å; A267-C269 PolarHBondContact O-N 2.83Å; C269-E272 PolarHBondContact O-N 2.65Å; C269-V273 WeakPolarHBondContact O-CG2 3.06Å; C269-V273 PolarHBondContact O-N 2.99Å; C269-F308 HydrophobicContact CB-CE2 4.11Å
270	L	98.9	Very high	98.9	Very high	13 Å²	13	60.7 Å²	60.7	7%	0.068	29%	0.29	C	S	.	.	H	α-helix	trans	-65.9	-40.9	178.1	-70.8	165.8	0	0	0	112.2	E266 A267 R268 V273 E274 F308 K311 L312 I315	E266-L270 VanDerWaalsContact O-CG 3.29Å; E266-L270 WeakPolarHBondContact O-CG 3.3Å; E266-L270 PolarHBondContact O-N 3.3Å; A267-L270 WeakPolarHBondContact O-CB 3.32Å; A267-L270 PolarHBondContact O-N 2.91Å; A267-L270 VanDerWaalsContact O-N 3.14Å; R268-L270 VanDerWaalsContact C-N 3.33Å; R268-L270 PolarHBondContact O-N 2.71Å; L270-V273 WeakPolarHBondContact O-CB 3.42Å; L270-V273 PolarHBondContact O-N 2.9Å; L270-E274 PolarHBondContact O-N 3Å; L270-F308 HydrophobicContact CD1-CD2 4.03Å; L270-F308 HydrophobicContact CD2-CD2 3.82Å; L270-F308 HydrophobicContact CD2-CE2 3.72Å; L270-F308 HydrophobicContact CD2-CZ 4.47Å; L270-F308 HydrophobicContact CG-CD2 3.72Å; L270-F308 HydrophobicContact CG-CE2 3.76Å; L270-K311 HydrophobicContact CD1-CB 3.66Å; L270-K311 HydrophobicContact CD1-CD 3.74Å; L270-K311 HydrophobicContact CD1-CG 4.36Å; L270-K311 HydrophobicContact CD2-CB 4.14Å; L270-L312 HydrophobicContact CD2-CB 3.83Å; L270-L312 HydrophobicContact CD2-CD1 4.33Å; L270-I315 HydrophobicContact CB-CD1 3.93Å; L270-I315 HydrophobicContact CD2-CD1 3.76Å; L270-I315 HydrophobicContact CG-CD1 4.43Å
271	E	98.9	Very high	98.9	Very high	127 Å²	127	57.8 Å²	57.8	59%	0.593	28%	0.275	S	S	*	.	H	α-helix	trans	-60	-46.7	174.1	-72.2	173.8	-171.7	0	0	111.1	A267 R268 V273 E274 D275	A267-E271 WeakPolarHBondContact O-CG 3.26Å; A267-E271 PolarHBondContact O-N 2.73Å; R268-E271 PolarHBondContact O-N 3.04Å; E271-V273 VanDerWaalsContact C-N 3.32Å; E271-V273 PolarHBondContact O-N 3.14Å; E271-E274 PolarHBondContact O-N 2.91Å; E271-E274 VanDerWaalsContact O-N 3.12Å; E271-D275 PolarHBondContact O-N 3.22Å
272	E	98.9	Very high	98.9	Very high	73 Å²	73	62 Å²	62	34%	0.341	29%	0.292	S	S	.	.	H	α-helix	trans	-64.7	-33	178.4	-75.3	-175	-145	0	0	113.4	P247 R268 C269 L276	P247-E272 VanDerWaalsContact CD-OE2 3.31Å; P247-E272 WeakPolarHBondContact CD-OE2 3.48Å; P247-E272 HydrophobicContact CG-CB 4.23Å; P247-E272 VanDerWaalsContact CG-OE2 3.25Å; P247-E272 WeakPolarHBondContact CG-OE2 3.4Å; R268-E272 IonicContact CZ-OE1 3.77Å; R268-E272 IonicContact NH1-OE1 3.75Å; R268-E272 PolarHBondContact NH1-OE1 3.22Å; R268-E272 IonicContact NH1-OE2 2.71Å; R268-E272 PolarHBondContact O-N 3.46Å; C269-E272 PolarHBondContact O-N 2.65Å; E272-L276 WeakPolarHBondContact O-CB 3.28Å; E272-L276 VanDerWaalsContact O-CG 3.26Å; E272-L276 WeakPolarHBondContact O-CG 3.17Å; E272-L276 PolarHBondContact O-N 3.04Å
273	V	98.9	Very high	98.8	Very high	0 Å²	0	66 Å²	66	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-60.1	-48.8	171.5	169.2	0	0	0	0	110.3	L211 F213 A246 C269 L270 E271 L276 I277 I290 L312 I315	L211-V273 HydrophobicContact CD1-CG1 4.13Å; L211-V273 HydrophobicContact CD2-CG1 4.27Å; L211-V273 HydrophobicContact CD2-CG2 4.41Å; F213-V273 HydrophobicContact CE1-CG2 3.69Å; F213-V273 HydrophobicContact CZ-CG2 3.88Å; A246-V273 HydrophobicContact CB-CG2 3.53Å; C269-V273 WeakPolarHBondContact O-CG2 3.06Å; C269-V273 PolarHBondContact O-N 2.99Å; L270-V273 WeakPolarHBondContact O-CB 3.42Å; L270-V273 PolarHBondContact O-N 2.9Å; E271-V273 VanDerWaalsContact C-N 3.32Å; E271-V273 PolarHBondContact O-N 3.14Å; V273-L276 PolarHBondContact O-N 3.31Å; V273-I277 HydrophobicContact CG1-CD1 4.02Å; V273-I277 WeakPolarHBondContact O-CG1 3.44Å; V273-I277 PolarHBondContact O-N 3.19Å; V273-I277 VanDerWaalsContact O-N 3.09Å; V273-I290 HydrophobicContact CG1-CD1 4.22Å; V273-L312 HydrophobicContact CB-CD1 4.48Å; V273-L312 HydrophobicContact CG1-CD1 3.87Å; V273-L312 HydrophobicContact CG2-CD1 4.22Å; V273-I315 HydrophobicContact CG1-CG2 4.09Å
274	E	98.8	Very high	98.8	Very high	50 Å²	50	68.3 Å²	68.3	23%	0.234	32%	0.317	C	S	.	.	H	α-helix	trans	-63.9	-42	-179	-175.2	152	-119.4	0	0	111.6	L270 E271 L276 I277 V278 I315 K318 H319	L270-E274 PolarHBondContact O-N 3Å; E271-E274 PolarHBondContact O-N 2.91Å; E271-E274 VanDerWaalsContact O-N 3.12Å; E274-L276 PolarHBondContact O-N 3.44Å; E274-I277 PolarHBondContact O-N 2.93Å; E274-V278 WeakPolarHBondContact O-CG2 3Å; E274-V278 PolarHBondContact O-N 3.28Å; E274-V278 VanDerWaalsContact O-N 3.13Å; E274-I315 HydrophobicContact CB-CG2 4.39Å; E274-K318 VanDerWaalsContact CD-NZ 3.3Å; E274-K318 VanDerWaalsContact OE1-CD 3.3Å; E274-K318 WeakPolarHBondContact OE1-CD 3.47Å; E274-K318 WeakPolarHBondContact OE1-CE 3.18Å; E274-K318 IonicContact OE1-NZ 3.57Å; E274-K318 PolarHBondContact OE1-NZ 3.43Å; E274-K318 IonicContact OE2-NZ 2.87Å; E274-K318 PolarHBondContact OE2-NZ 2.9Å; E274-K318 VanDerWaalsContact OE2-NZ 3.13Å; E274-H319 WeakPolarHBondContact CG-NE2 3.34Å; E274-H319 IonicContact OE1-CD2 3.95Å; E274-H319 IonicContact OE1-CE1 2.85Å; E274-H319 IonicContact OE1-NE2 2.86Å; E274-H319 PolarHBondContact OE1-NE2 3.41Å
275	D	98.9	Very high	98.8	Very high	111 Å²	111	63.9 Å²	63.9	59%	0.594	30%	0.296	S	S	*	.	H	α-helix	trans	-60.7	-42.9	174.5	-80.5	-16.3	0	0	0	112.7	E271 I277 V278 K279	E271-D275 PolarHBondContact O-N 3.22Å; D275-I277 PolarHBondContact O-N 2.79Å; D275-V278 PolarHBondContact O-N 3.14Å; D275-K279 VanDerWaalsContact O-CB 3.23Å; D275-K279 WeakPolarHBondContact O-CB 3.43Å; D275-K279 PolarHBondContact O-N 3.49Å
276	L	98.9	Very high	98.8	Very high	27 Å²	27	62.7 Å²	62.7	14%	0.141	29%	0.292	C	S	.	.	H	α-helix	trans	-63.5	-40.8	177.4	-77.9	170.1	0	0	0	111.7	L211 P244 I245 A246 E272 V273 E274 V278 K279 Y280	L211-L276 HydrophobicContact CD1-CB 3.9Å; L211-L276 HydrophobicContact CD1-CD1 4.43Å; P244-L276 HydrophobicContact CB-CB 3.98Å; P244-L276 HydrophobicContact CB-CD1 4.28Å; P244-L276 HydrophobicContact CB-CD2 4.14Å; P244-L276 HydrophobicContact CB-CG 4.37Å; I245-L276 WeakPolarHBondContact O-CD1 3.49Å; A246-L276 HydrophobicContact CB-CD1 3.86Å; E272-L276 WeakPolarHBondContact O-CB 3.28Å; E272-L276 VanDerWaalsContact O-CG 3.26Å; E272-L276 WeakPolarHBondContact O-CG 3.17Å; E272-L276 PolarHBondContact O-N 3.04Å; V273-L276 PolarHBondContact O-N 3.31Å; E274-L276 PolarHBondContact O-N 3.44Å; L276-V278 PolarHBondContact O-N 2.9Å; L276-K279 PolarHBondContact O-N 3.18Å; L276-Y280 HydrophobicContact CD2-CD2 4.42Å; L276-Y280 HydrophobicContact CD2-CE2 4.12Å; L276-Y280 WeakPolarHBondContact O-CB 3.48Å; L276-Y280 WeakPolarHBondContact O-CD2 3.44Å; L276-Y280 PolarHBondContact O-N 2.85Å
277	I	98.9	Very high	98.8	Very high	1 Å²	1	62.1 Å²	62.1	1%	0.005	29%	0.289	C	S	.	.	H	α-helix	trans	-60.1	-47.9	176.4	-66.2	164.5	0	0	0	110.4	L211 V273 E274 D275 Y280 R281 V287 I290 I315 H319	L211-I277 HydrophobicContact CD1-CG1 4Å; V273-I277 HydrophobicContact CG1-CD1 4.02Å; V273-I277 WeakPolarHBondContact O-CG1 3.44Å; V273-I277 PolarHBondContact O-N 3.19Å; V273-I277 VanDerWaalsContact O-N 3.09Å; E274-I277 PolarHBondContact O-N 2.93Å; D275-I277 PolarHBondContact O-N 2.79Å; I277-Y280 PolarHBondContact O-N 3.38Å; I277-R281 WeakPolarHBondContact O-CB 3.41Å; I277-R281 PolarHBondContact O-N 3Å; I277-V287 HydrophobicContact CG1-CB 4.42Å; I277-V287 HydrophobicContact CG1-CG1 4.42Å; I277-V287 HydrophobicContact CG1-CG2 4.31Å; I277-V287 HydrophobicContact CG2-CB 4.5Å; I277-I290 HydrophobicContact CD1-CD1 3.99Å; I277-I315 HydrophobicContact CD1-CG2 3.9Å; I277-H319 HydrophobicContact CD1-CB 4.43Å; I277-H319 HydrophobicContact CG2-CB 3.78Å
278	V	98.9	Very high	98.8	Very high	54 Å²	54	60.2 Å²	60.2	33%	0.327	27%	0.274	S	S	.	.	H	α-helix	trans	-63.3	-44.9	178.5	174.1	0	0	0	0	111.1	E274 D275 L276 R281 K282	E274-V278 WeakPolarHBondContact O-CG2 3Å; E274-V278 PolarHBondContact O-N 3.28Å; E274-V278 VanDerWaalsContact O-N 3.13Å; D275-V278 PolarHBondContact O-N 3.14Å; L276-V278 PolarHBondContact O-N 2.9Å; V278-R281 PolarHBondContact O-N 3.42Å; V278-K282 WeakPolarHBondContact O-CG 3.44Å; V278-K282 PolarHBondContact O-N 2.86Å; V278-K282 VanDerWaalsContact O-N 3.11Å
279	K	98.9	Very high	98.8	Very high	117 Å²	117	55.9 Å²	55.9	51%	0.509	26%	0.257	S	S	.	.	H	α-helix	trans	-60.2	-47.7	178.8	179.7	179.5	179.8	179	0	111.8	D275 L276 K282 K283	D275-K279 VanDerWaalsContact O-CB 3.23Å; D275-K279 WeakPolarHBondContact O-CB 3.43Å; D275-K279 PolarHBondContact O-N 3.49Å; L276-K279 PolarHBondContact O-N 3.18Å; K279-K282 WeakPolarHBondContact O-CB 3.31Å; K279-K282 PolarHBondContact O-N 3.39Å; K279-K283 PolarHBondContact O-N 2.81Å
280	Y	98.8	Very high	98.8	Very high	17 Å²	17	55.9 Å²	55.9	7%	0.067	26%	0.257	C	S	.	.	H	α-helix	trans	-71.9	-32.9	-177.6	-89.3	-100.7	0	0	0	112.7	D242 P244 L276 I277 K282 K283 K284 K285	D242-Y280 WeakPolarHBondContact O-CE1 3.32Å; D242-Y280 PolarHBondContact OD1-OH 2.84Å; P244-Y280 HydrophobicContact CB-CD1 4.5Å; P244-Y280 HydrophobicContact CB-CD2 3.6Å; P244-Y280 HydrophobicContact CB-CE1 4.47Å; P244-Y280 HydrophobicContact CB-CE2 3.53Å; P244-Y280 HydrophobicContact CB-CG 4.1Å; P244-Y280 HydrophobicContact CG-CD1 4.06Å; P244-Y280 HydrophobicContact CG-CD2 3.86Å; P244-Y280 HydrophobicContact CG-CE1 4.35Å; P244-Y280 HydrophobicContact CG-CE2 4.13Å; P244-Y280 HydrophobicContact CG-CG 3.82Å; L276-Y280 HydrophobicContact CD2-CD2 4.42Å; L276-Y280 HydrophobicContact CD2-CE2 4.12Å; L276-Y280 WeakPolarHBondContact O-CB 3.48Å; L276-Y280 WeakPolarHBondContact O-CD2 3.44Å; L276-Y280 PolarHBondContact O-N 2.85Å; I277-Y280 PolarHBondContact O-N 3.38Å; Y280-K282 PolarHBondContact O-N 3.19Å; Y280-K283 PolarHBondContact O-N 3.27Å; Y280-K284 PolarHBondContact O-N 3.37Å; Y280-K285 HydrophobicContact CD1-CB 3.77Å; Y280-K285 HydrophobicContact CD1-CD 4.36Å; Y280-K285 HydrophobicContact CE1-CD 4.31Å; Y280-K285 CarbonylContact O-C 3.59Å; Y280-K285 WeakPolarHBondContact O-CA 3.34Å; Y280-K285 PolarHBondContact O-N 3.29Å
281	R	98.7	Very high	98.8	Very high	92 Å²	92	55.3 Å²	55.3	35%	0.347	25%	0.254	S	S	.	.	H	α-helix	trans	-60.1	-43.1	168.7	-176	175.5	-75.9	150.9	-2.2	111.9	I277 V278 K283 K284 H319	I277-R281 WeakPolarHBondContact O-CB 3.41Å; I277-R281 PolarHBondContact O-N 3Å; V278-R281 PolarHBondContact O-N 3.42Å; R281-K283 VanDerWaalsContact C-N 3.32Å; R281-K283 PolarHBondContact O-N 3.34Å; R281-K284 PolarHBondContact O-N 3.34Å; R281-K284 VanDerWaalsContact O-N 3.11Å; R281-H319 PolarHBondContact NH2-O 3.48Å
282	K	98.6	Very high	98.9	Very high	165 Å²	165	49.2 Å²	49.2	72%	0.717	23%	0.226	S	C	*	.	H	α-helix	trans	-63.5	-36.1	175.1	-72.9	176.2	-179.8	176.1	0	112.6	V278 K279 Y280 K284	V278-K282 WeakPolarHBondContact O-CG 3.44Å; V278-K282 PolarHBondContact O-N 2.86Å; V278-K282 VanDerWaalsContact O-N 3.11Å; K279-K282 WeakPolarHBondContact O-CB 3.31Å; K279-K282 PolarHBondContact O-N 3.39Å; Y280-K282 PolarHBondContact O-N 3.19Å; K282-K284 PolarHBondContact O-N 3.31Å; K282-K284 VanDerWaalsContact O-N 3.16Å
283	K	98.6	Very high	98.9	Very high	97 Å²	97	46.1 Å²	46.1	42%	0.422	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	1.7	173.4	-72.8	-176.5	165.4	-165.7	0	114.5	D242 K279 Y280 R281 K285	D242-K283 IonicContact OD2-NZ 2.77Å; K279-K283 PolarHBondContact O-N 2.81Å; Y280-K283 PolarHBondContact O-N 3.27Å; R281-K283 VanDerWaalsContact C-N 3.32Å; R281-K283 PolarHBondContact O-N 3.34Å; K283-K285 HydrophobicContact CB-CB 4.43Å; K283-K285 PolarHBondContact O-N 3.38Å
284	K	98.6	Very high	98.9	Very high	170 Å²	170	46.4 Å²	46.4	74%	0.739	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.8	19.5	-171.3	-50.5	-60.1	-177.8	176.8	0	113.7	Y280 R281 K282	Y280-K284 PolarHBondContact O-N 3.37Å; R281-K284 PolarHBondContact O-N 3.34Å; R281-K284 VanDerWaalsContact O-N 3.11Å; K282-K284 PolarHBondContact O-N 3.31Å; K282-K284 VanDerWaalsContact O-N 3.16Å
285	K	98.8	Very high	98.9	Very high	40 Å²	40	44.2 Å²	44.2	17%	0.174	20%	0.203	C	C	.	.			trans	-106.5	50.7	175.6	-70.2	-176	177.5	-66.1	0	111.9	D207 S209 Y280 K283 V287	D207-K285 WeakPolarHBondContact O-CA 3.41Å; D207-K285 IonicContact OD1-NZ 2.82Å; D207-K285 PolarHBondContact OD1-NZ 2.86Å; D207-K285 WeakPolarHBondContact OD2-CG 3.44Å; D207-K285 IonicContact OD2-NZ 3.25Å; D207-K285 PolarHBondContact OD2-NZ 2.92Å; S209-K285 PolarHBondContact OG-O 3.15Å; Y280-K285 HydrophobicContact CD1-CB 3.77Å; Y280-K285 HydrophobicContact CD1-CD 4.36Å; Y280-K285 HydrophobicContact CE1-CD 4.31Å; Y280-K285 CarbonylContact O-C 3.59Å; Y280-K285 WeakPolarHBondContact O-CA 3.34Å; Y280-K285 PolarHBondContact O-N 3.29Å; K283-K285 HydrophobicContact CB-CB 4.43Å; K283-K285 PolarHBondContact O-N 3.38Å; K285-V287 PolarHBondContact O-N 3.14Å
286	T	98.9	Very high	98.9	Very high	19 Å²	19	39 Å²	39	12%	0.117	18%	0.175	C	C	.	.			trans	-47.9	129.3	-169	-58.5	0	0	0	0	112.5	Y179 Y208 S209 A288	Y179-T286 HydrophobicContact CE1-CG2 3.74Å; Y179-T286 HydrophobicContact CE2-CG2 4.29Å; Y179-T286 VanDerWaalsContact CZ-CG2 3.47Å; Y179-T286 WeakPolarHBondContact OH-CG2 3.48Å; Y208-T286 WeakPolarHBondContact CA-O 3.42Å; S209-T286 PolarHBondContact N-O 3.49Å; S209-T286 PolarHBondContact OG-O 3.02Å; T286-A288 PolarHBondContact O-N 3.37Å; T286-A288 VanDerWaalsContact O-N 3.15Å
287	V	98.9	Very high	98.8	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.006	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	105.5	175.9	-176.9	0	0	0	0	108.9	S209 L211 P244 I277 K285 G289 C321	S209-V287 CarbonylContact O-C 3.58Å; S209-V287 WeakPolarHBondContact O-CA 3.47Å; S209-V287 WeakPolarHBondContact OG-CA 3.35Å; S209-V287 WeakPolarHBondContact OG-CG2 3.29Å; L211-V287 HydrophobicContact CB-CG1 3.8Å; P244-V287 HydrophobicContact CG-CG2 3.72Å; I277-V287 HydrophobicContact CG1-CB 4.42Å; I277-V287 HydrophobicContact CG1-CG1 4.42Å; I277-V287 HydrophobicContact CG1-CG2 4.31Å; I277-V287 HydrophobicContact CG2-CB 4.5Å; K285-V287 PolarHBondContact O-N 3.14Å; V287-G289 VanDerWaalsContact CG1-O 3.25Å; V287-G289 WeakPolarHBondContact CG1-O 3.4Å; V287-C321 PolarHBondContact O-SG 3.49Å
288	A	98.9	Very high	98.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	-28.5	179.9	0	0	0	0	0	112.2	I175 F176 Y179 Y208 S209 T286 A322	I175-A288 HydrophobicContact CG2-CB 3.95Å; I175-A288 WeakPolarHBondContact CG2-O 3.45Å; F176-A288 HydrophobicContact CD1-CB 3.72Å; F176-A288 HydrophobicContact CE1-CB 4.05Å; Y179-A288 VanDerWaalsContact CD2-CA 3.49Å; Y179-A288 HydrophobicContact CD2-CB 3.84Å; Y179-A288 HydrophobicContact CG-CB 3.96Å; Y208-A288 HydrophobicContact CD2-CB 4.42Å; Y208-A288 HydrophobicContact CG-CB 4.46Å; S209-A288 PolarHBondContact O-N 3.38Å; T286-A288 PolarHBondContact O-N 3.37Å; T286-A288 VanDerWaalsContact O-N 3.15Å; A288-A322 PolarHBondContact O-N 3.07Å
289	G	98.9	Very high	98.8	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	167.9	177.1	0	0	0	0	0	113.7	I210 L211 V287 A322	I210-G289 WeakPolarHBondContact CA-O 3.33Å; L211-G289 PolarHBondContact N-O 3.25Å; V287-G289 VanDerWaalsContact CG1-O 3.25Å; V287-G289 WeakPolarHBondContact CG1-O 3.4Å; G289-A322 CarbonylContact C-O 3.57Å; G289-A322 WeakPolarHBondContact CA-O 3.44Å
290	I	99	Very high	98.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	129.8	176.3	-56.6	177.6	0	0	0	107.3	L211 F213 V273 I277 L312 A316 C321 A322 F323 L324	L211-I290 HydrophobicContact CB-CG1 4.19Å; L211-I290 HydrophobicContact CD2-CG1 4.49Å; L211-I290 HydrophobicContact CD2-CG2 3.91Å; L211-I290 WeakPolarHBondContact O-CA 3.13Å; F213-I290 HydrophobicContact CE2-CG2 3.82Å; F213-I290 HydrophobicContact CZ-CG2 4.34Å; V273-I290 HydrophobicContact CG1-CD1 4.22Å; I277-I290 HydrophobicContact CD1-CD1 3.99Å; I290-L312 HydrophobicContact CD1-CD1 4.44Å; I290-A316 HydrophobicContact CD1-CB 3.88Å; I290-C321 HydrophobicContact CD1-CB 4.47Å; I290-C321 HydrophobicContact CG1-CB 4.2Å; I290-A322 PolarHBondContact N-O 3.48Å; I290-F323 HydrophobicContact CB-CD2 4.25Å; I290-F323 HydrophobicContact CG2-CD2 4.43Å; I290-F323 HydrophobicContact CG2-CE2 4.33Å; I290-L324 WeakPolarHBondContact O-CB 2.99Å; I290-L324 PolarHBondContact O-N 2.68Å
291	I	99	Very high	98.8	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	134	174.2	-170.2	175.7	0	0	0	110.7	I210 L211 F213 H218 T227 L324	I210-I291 HydrophobicContact CG2-CB 4.17Å; I210-I291 HydrophobicContact CG2-CG2 3.74Å; L211-I291 PolarHBondContact O-N 3.38Å; F213-I291 WeakPolarHBondContact CD2-O 3.35Å; H218-I291 HydrophobicContact CB-CD1 3.9Å; H218-I291 VanDerWaalsContact CG-CD1 3.42Å; T227-I291 HydrophobicContact CG2-CG2 3.96Å; I291-L324 WeakPolarHBondContact CA-O 3.33Å; I291-L324 HydrophobicContact CB-CB 4.31Å; I291-L324 HydrophobicContact CB-CD2 3.9Å; I291-L324 HydrophobicContact CB-CG 4.34Å; I291-L324 HydrophobicContact CD1-CD2 3.45Å; I291-L324 VanDerWaalsContact CD1-CD2 3.45Å; I291-L324 HydrophobicContact CD1-CG 4.24Å; I291-L324 HydrophobicContact CG1-CB 4.32Å; I291-L324 HydrophobicContact CG1-CD2 3.52Å; I291-L324 HydrophobicContact CG1-CG 3.87Å
292	V	99	Very high	98.8	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	144.1	179.7	70.4	0	0	0	0	112.3	F213 F248 F309 L312 F323 L324 D326	F213-V292 HydrophobicContact CD2-CB 4Å; F213-V292 HydrophobicContact CD2-CG2 3.8Å; F213-V292 HydrophobicContact CE2-CB 3.82Å; F213-V292 HydrophobicContact CE2-CG2 3.81Å; F248-V292 HydrophobicContact CE2-CG2 4.18Å; V292-F309 HydrophobicContact CG2-CE1 3.95Å; V292-L312 HydrophobicContact CB-CD2 4.45Å; V292-L312 HydrophobicContact CG1-CD2 4.23Å; V292-L312 HydrophobicContact CG2-CD2 4.35Å; V292-F323 HydrophobicContact CG1-CE2 3.88Å; V292-F323 HydrophobicContact CG1-CZ 3.68Å; V292-L324 PolarHBondContact N-O 3.12Å; V292-L324 VanDerWaalsContact N-O 3.07Å; V292-D326 PolarHBondContact O-N 3.17Å
293	E	98.9	Very high	98.8	Very high	8 Å²	8	21 Å²	21	4%	0.037	10%	0.102	C	C	.	.			trans	-86.2	137.5	167.3	-65.7	164.1	80.4	0	0	109.5	A216 F217 I295 Q296 S297 D326	A216-E293 WeakPolarHBondContact CA-OE2 3.4Å; F217-E293 PolarHBondContact N-OE2 3.08Å; E293-I295 PolarHBondContact O-N 3.13Å; E293-Q296 HydrophobicContact CB-CG 4.43Å; E293-S297 PolarHBondContact OE1-N 2.9Å; E293-D326 HydrophobicContact CG-CB 4.29Å
294	P	98.9	Very high	98.8	Very high	5 Å²	5	16.9 Å²	16.9	3%	0.032	9%	0.086	C	C	.	.	S	Bend	trans	-59.9	-29.9	173.1	-25.7	35	0	0	0	113.8	F309 V325 D326 E327 T330 A340 W344	P294-F309 WeakPolarHBondContact O-CE2 3.43Å; P294-F309 WeakPolarHBondContact O-CZ 3.25Å; P294-V325 HydrophobicContact CG-CG1 3.66Å; P294-D326 VanDerWaalsContact CD-O 3.23Å; P294-D326 WeakPolarHBondContact CD-O 3.49Å; P294-E327 HydrophobicContact CG-CG 4.01Å; P294-T330 HydrophobicContact CB-CG2 4.45Å; P294-A340 HydrophobicContact CB-CB 3.85Å; P294-A340 HydrophobicContact CG-CB 4.23Å; P294-W344 HydrophobicContact CB-CZ2 3.92Å; P294-W344 HydrophobicContact CG-CH2 4.45Å; P294-W344 HydrophobicContact CG-CZ2 4.06Å
295	I	98.9	Very high	98.8	Very high	4 Å²	4	10.7 Å²	10.7	2%	0.021	6%	0.064	C	C	.	.	S	Bend	trans	-141.3	115.5	169.1	-55.5	168.6	0	0	0	105.9	E293 S297 T330 T335 R436 F439	E293-I295 PolarHBondContact O-N 3.13Å; I295-S297 PolarHBondContact O-N 3.18Å; I295-S297 PolarHBondContact O-OG 3.25Å; I295-T330 HydrophobicContact CB-CG2 4.07Å; I295-T330 HydrophobicContact CG1-CG2 4.48Å; I295-T335 HydrophobicContact CD1-CG2 4.23Å; I295-R436 HydrophobicContact CD1-CB 4.39Å; I295-F439 HydrophobicContact CB-CD1 4.5Å; I295-F439 HydrophobicContact CB-CE1 4.03Å; I295-F439 HydrophobicContact CD1-CD1 4Å; I295-F439 HydrophobicContact CD1-CE1 4.36Å; I295-F439 HydrophobicContact CG2-CD1 4.11Å; I295-F439 HydrophobicContact CG2-CE1 3.68Å
296	Q	98.9	Very high	98.8	Very high	1 Å²	1	10.6 Å²	10.6	1%	0.005	7%	0.065	C	C	.	.	B	Isolated β-bridge	trans	-66	122.6	-178.6	-69.8	-172.9	-28	0	0	110.1	M214 F248 E293 D301 N302	M214-Q296 PolarHBondContact O-NE2 2.75Å; M214-Q296 PolarHBondContact O-OE1 2.87Å; F248-Q296 HydrophobicContact CD1-CG 4.31Å; F248-Q296 HydrophobicContact CD2-CG 4.08Å; F248-Q296 HydrophobicContact CE1-CG 4.34Å; F248-Q296 HydrophobicContact CE2-CG 4.1Å; F248-Q296 HydrophobicContact CG-CG 4.18Å; F248-Q296 HydrophobicContact CZ-CG 4.23Å; E293-Q296 HydrophobicContact CB-CG 4.43Å; Q296-D301 CarbonylContact O-C 3.17Å; Q296-D301 WeakPolarHBondContact O-CA 3.33Å; Q296-D301 PolarHBondContact O-N 3Å; Q296-N302 HydrophobicContact CB-CB 4.07Å; Q296-N302 PolarHBondContact N-O 3.1Å; Q296-N302 PolarHBondContact O-N 3Å; Q296-N302 PolarHBondContact OE1-ND2 3.17Å
297	S	98.6	Very high	98.8	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	8%	0.076	C	C	.	.			trans	-90	-72.8	-170.9	-61	0	0	0	0	112.9	E293 I295 G299 G300 D301 Q329 F439	E293-S297 PolarHBondContact OE1-N 2.9Å; I295-S297 PolarHBondContact O-N 3.18Å; I295-S297 PolarHBondContact O-OG 3.25Å; S297-G299 PolarHBondContact O-N 3.14Å; S297-G300 PolarHBondContact O-N 3.22Å; S297-D301 PolarHBondContact O-N 3.4Å; S297-D301 VanDerWaalsContact O-N 3.17Å; S297-Q329 VanDerWaalsContact CB-NE2 3.27Å; S297-Q329 VanDerWaalsContact CB-OE1 3.24Å; S297-Q329 PolarHBondContact OG-OE1 2.88Å; S297-F439 WeakPolarHBondContact OG-CZ 3.42Å
298	E	98.7	Very high	98.8	Very high	21 Å²	21	12.6 Å²	12.6	10%	0.098	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-27.3	-171.7	-68	-55.9	129.4	0	0	113.4	F217 K231 G300 G468 R473	F217-E298 HydrophobicContact CB-CB 3.66Å; F217-E298 HydrophobicContact CB-CG 3.85Å; F217-E298 HydrophobicContact CD1-CG 3.86Å; F217-E298 HydrophobicContact CD2-CB 3.95Å; F217-E298 HydrophobicContact CD2-CG 3.8Å; F217-E298 HydrophobicContact CE1-CG 4.38Å; F217-E298 HydrophobicContact CE2-CG 4.32Å; F217-E298 HydrophobicContact CG-CB 3.83Å; F217-E298 HydrophobicContact CG-CG 3.56Å; K231-E298 PolarHBondContact NZ-O 3.1Å; K231-E298 IonicContact NZ-OE2 3.57Å; E298-G300 PolarHBondContact O-N 3.38Å; E298-G468 PolarHBondContact O-N 3.45Å; E298-G468 VanDerWaalsContact O-N 3.1Å; E298-R473 IonicContact OE1-CZ 3.04Å; E298-R473 VanDerWaalsContact OE1-CZ 3.28Å; E298-R473 IonicContact OE1-NH1 3.14Å; E298-R473 PolarHBondContact OE1-NH1 3.29Å; E298-R473 IonicContact OE1-NH2 3.92Å; E298-R473 PolarHBondContact OE1-NH2 2.83Å; E298-R473 IonicContact OE2-CZ 2.73Å; E298-R473 IonicContact OE2-NH1 2.93Å; E298-R473 IonicContact OE2-NH2 3.77Å; E298-R473 PolarHBondContact OE2-NH2 3.35Å
299	G	98.1	Very high	98.8	Very high	17 Å²	17	12.7 Å²	12.7	18%	0.175	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-2.9	175.7	0	0	0	0	0	115.4	G215 S297 N302	G215-G299 WeakPolarHBondContact O-CA 3.39Å; G215-G299 PolarHBondContact O-N 3.23Å; S297-G299 PolarHBondContact O-N 3.14Å; G299-N302 PolarHBondContact O-ND2 3.49Å
300	G	98.2	Very high	98.8	Very high	4 Å²	4	16.5 Å²	16.5	4%	0.041	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	119.7	35.1	172.7	0	0	0	0	0	115.1	S297 E298 N302 R434	S297-G300 PolarHBondContact O-N 3.22Å; E298-G300 PolarHBondContact O-N 3.38Å; G300-N302 PolarHBondContact O-N 3.32Å; G300-R434 PolarHBondContact O-NH2 2.85Å
301	D	98.8	Very high	98.8	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.111	C	C	.	.			trans	51.4	52.7	179	-77.2	-121.4	0	0	0	111.7	Q296 S297 H303 R434 S441 C467 R475	Q296-D301 CarbonylContact O-C 3.17Å; Q296-D301 WeakPolarHBondContact O-CA 3.33Å; Q296-D301 PolarHBondContact O-N 3Å; S297-D301 PolarHBondContact O-N 3.4Å; S297-D301 VanDerWaalsContact O-N 3.17Å; D301-H303 PolarHBondContact O-CD2 3.2Å; D301-H303 VanDerWaalsContact O-CD2 3.26Å; D301-R434 PolarHBondContact O-NE 3.26Å; D301-S441 WeakPolarHBondContact CB-OG 3.5Å; D301-C467 PolarHBondContact OD2-SG 3.37Å; D301-R475 IonicContact OD1-CZ 3.53Å; D301-R475 VanDerWaalsContact OD1-CZ 3.25Å; D301-R475 IonicContact OD1-NH1 3.32Å; D301-R475 PolarHBondContact OD1-NH1 3.26Å; D301-R475 IonicContact OD1-NH2 3.3Å; D301-R475 PolarHBondContact OD1-NH2 3.34Å; D301-R475 IonicContact OD2-CZ 2.62Å; D301-R475 IonicContact OD2-NH1 3.09Å; D301-R475 IonicContact OD2-NH2 3.38Å; D301-R475 PolarHBondContact OD2-NH2 3.19Å
302	N	98.9	Very high	98.8	Very high	31 Å²	31	21.3 Å²	21.3	17%	0.166	11%	0.111	C	C	.	.	B	Isolated β-bridge	trans	-81.6	122	179.8	-53.1	-52.9	0	0	0	109.5	F248 Q296 G299 G300	F248-N302 HydrophobicContact CD1-CB 3.7Å; F248-N302 HydrophobicContact CE1-CB 3.7Å; Q296-N302 HydrophobicContact CB-CB 4.07Å; Q296-N302 PolarHBondContact N-O 3.1Å; Q296-N302 PolarHBondContact O-N 3Å; Q296-N302 PolarHBondContact OE1-ND2 3.17Å; G299-N302 PolarHBondContact O-ND2 3.49Å; G300-N302 PolarHBondContact O-N 3.32Å
303	H	98.9	Very high	98.8	Very high	22 Å²	22	21.5 Å²	21.5	10%	0.102	11%	0.112	C	C	.	.			trans	-100.2	151.6	175.3	-69	-110.6	0	0	0	110.2	L251 D301	L251-H303 WeakPolarHBondContact CD1-O 3.05Å; L251-H303 WeakPolarHBondContact CG-O 3.43Å; D301-H303 PolarHBondContact O-CD2 3.2Å; D301-H303 VanDerWaalsContact O-CD2 3.26Å
304	A	98.9	Very high	98.8	Very high	11 Å²	11	25 Å²	25	9%	0.091	13%	0.131	C	C	.	.			trans	-132.4	163.2	163.9	0	0	0	0	0	108.6	F248 P249 F308 F309	F248-A304 HydrophobicContact CE1-CB 4.14Å; F248-A304 HydrophobicContact CZ-CB 3.84Å; P249-A304 HydrophobicContact CB-CB 4.47Å; P249-A304 HydrophobicContact CG-CB 4.19Å; A304-F308 HydrophobicContact CB-CB 4.07Å; A304-F308 HydrophobicContact CB-CD1 3.55Å; A304-F308 HydrophobicContact CB-CE1 4.21Å; A304-F308 HydrophobicContact CB-CG 3.91Å; A304-F309 HydrophobicContact CB-CE2 3.92Å; A304-F309 HydrophobicContact CB-CZ 4.19Å
305	S	98.9	Very high	98.8	Very high	40 Å²	40	25.7 Å²	25.7	28%	0.28	13%	0.134	S	C	.	.			trans	-65.6	155.2	177.2	78.5	0	0	0	0	111.4	E266 D307 F308 F309	E266-S305 VanDerWaalsContact CD-OG 3.3Å; E266-S305 VanDerWaalsContact OE1-CB 3.31Å; E266-S305 WeakPolarHBondContact OE1-CB 3.23Å; E266-S305 PolarHBondContact OE1-N 2.95Å; E266-S305 PolarHBondContact OE1-OG 3.37Å; E266-S305 WeakPolarHBondContact OE2-CB 3.37Å; E266-S305 PolarHBondContact OE2-OG 3.38Å; S305-D307 PolarHBondContact O-N 2.93Å; S305-D307 PolarHBondContact OG-N 3.39Å; S305-F308 WeakPolarHBondContact O-CB 3.41Å; S305-F308 PolarHBondContact O-N 2.93Å; S305-F308 PolarHBondContact OG-N 3.18Å; S305-F309 VanDerWaalsContact O-CD2 3.27Å; S305-F309 WeakPolarHBondContact O-CD2 3.43Å; S305-F309 PolarHBondContact O-N 3.46Å
306	D	98.9	Very high	98.8	Very high	38 Å²	38	25.5 Å²	25.5	20%	0.203	13%	0.133	C	C	.	.	H	α-helix	trans	-61.5	-25.9	172.1	-59	-47.8	0	0	0	111.5	F309 R310 R436	D306-F309 PolarHBondContact O-N 3.26Å; D306-R310 WeakPolarHBondContact O-CG 3.37Å; D306-R310 PolarHBondContact O-N 3.38Å; D306-R310 VanDerWaalsContact O-N 3.08Å; D306-R436 VanDerWaalsContact CG-NH2 3.27Å; D306-R436 IonicContact OD1-CZ 2.67Å; D306-R436 IonicContact OD1-NH1 3.54Å; D306-R436 PolarHBondContact OD1-NH1 3.42Å; D306-R436 IonicContact OD1-NH2 3.73Å; D306-R436 PolarHBondContact OD1-NH2 3.04Å; D306-R436 IonicContact OD2-CZ 3.13Å; D306-R436 IonicContact OD2-NH1 3.53Å; D306-R436 IonicContact OD2-NH2 2.69Å; D306-R436 PolarHBondContact OD2-NH2 2.98Å
307	D	98.9	Very high	98.8	Very high	62 Å²	62	30.6 Å²	30.6	33%	0.332	15%	0.152	S	C	.	.	H	α-helix	trans	-67.9	-40.2	176.7	-167.3	64.8	0	0	0	112.5	S305 F309 R310 K311	S305-D307 PolarHBondContact O-N 2.93Å; S305-D307 PolarHBondContact OG-N 3.39Å; D307-F309 VanDerWaalsContact C-N 3.33Å; D307-F309 PolarHBondContact O-N 3.25Å; D307-R310 VanDerWaalsContact CA-NH2 3.29Å; D307-R310 PolarHBondContact O-N 2.82Å; D307-R310 IonicContact OD1-NE 3.36Å; D307-R310 IonicContact OD1-NH2 2.79Å; D307-R310 PolarHBondContact OD1-NH2 2.61Å; D307-K311 WeakPolarHBondContact O-CG 3.29Å; D307-K311 PolarHBondContact O-N 3.02Å; D307-K311 WeakPolarHBondContact OD2-CE 3.46Å; D307-K311 IonicContact OD2-NZ 3.97Å; D307-K311 PolarHBondContact OD2-NZ 3.48Å
308	F	98.9	Very high	98.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-55.5	-48.5	172.5	169.6	-95.8	0	0	0	111.2	F213 F248 P249 E266 C269 L270 A304 S305 K311 L312	F213-F308 HydrophobicContact CE1-CZ 4.2Å; F248-F308 HydrophobicContact CE2-CE1 4.18Å; P249-F308 HydrophobicContact CG-CD1 4.48Å; P249-F308 HydrophobicContact CG-CD2 3.72Å; P249-F308 HydrophobicContact CG-CE1 4.31Å; P249-F308 HydrophobicContact CG-CE2 3.51Å; P249-F308 HydrophobicContact CG-CG 4.21Å; P249-F308 HydrophobicContact CG-CZ 3.83Å; E266-F308 HydrophobicContact CB-CB 4.44Å; E266-F308 HydrophobicContact CB-CD2 4.1Å; E266-F308 HydrophobicContact CG-CB 4.22Å; E266-F308 HydrophobicContact CG-CD2 4.26Å; C269-F308 HydrophobicContact CB-CE2 4.11Å; L270-F308 HydrophobicContact CD1-CD2 4.03Å; L270-F308 HydrophobicContact CD2-CD2 3.82Å; L270-F308 HydrophobicContact CD2-CE2 3.72Å; L270-F308 HydrophobicContact CD2-CZ 4.47Å; L270-F308 HydrophobicContact CG-CD2 3.72Å; L270-F308 HydrophobicContact CG-CE2 3.76Å; A304-F308 HydrophobicContact CB-CB 4.07Å; A304-F308 HydrophobicContact CB-CD1 3.55Å; A304-F308 HydrophobicContact CB-CE1 4.21Å; A304-F308 HydrophobicContact CB-CG 3.91Å; S305-F308 WeakPolarHBondContact O-CB 3.41Å; S305-F308 PolarHBondContact O-N 2.93Å; S305-F308 PolarHBondContact OG-N 3.18Å; F308-K311 PolarHBondContact O-N 3.06Å; F308-L312 HydrophobicContact CE1-CD2 4.05Å; F308-L312 HydrophobicContact CZ-CD2 4.23Å; F308-L312 VanDerWaalsContact O-CB 3.3Å; F308-L312 WeakPolarHBondContact O-CB 3.29Å; F308-L312 PolarHBondContact O-N 2.89Å
309	F	98.9	Very high	98.8	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.009	18%	0.184	C	C	.	.	H	α-helix	trans	-67.7	-37.2	-179.3	-68	-72.3	0	0	0	113.1	F248 V292 P294 A304 S305 D306 D307 L312 R313 W344	F248-F309 HydrophobicContact CE2-CE1 4.39Å; F248-F309 HydrophobicContact CE2-CZ 4.23Å; F248-F309 HydrophobicContact CZ-CZ 4.08Å; V292-F309 HydrophobicContact CG2-CE1 3.95Å; P294-F309 WeakPolarHBondContact O-CE2 3.43Å; P294-F309 WeakPolarHBondContact O-CZ 3.25Å; A304-F309 HydrophobicContact CB-CE2 3.92Å; A304-F309 HydrophobicContact CB-CZ 4.19Å; S305-F309 VanDerWaalsContact O-CD2 3.27Å; S305-F309 WeakPolarHBondContact O-CD2 3.43Å; S305-F309 PolarHBondContact O-N 3.46Å; D306-F309 PolarHBondContact O-N 3.26Å; D307-F309 VanDerWaalsContact C-N 3.33Å; D307-F309 PolarHBondContact O-N 3.25Å; F309-L312 PolarHBondContact O-N 2.7Å; F309-R313 WeakPolarHBondContact O-CB 3.43Å; F309-R313 PolarHBondContact O-N 3.4Å; F309-W344 HydrophobicContact CB-CD2 3.64Å; F309-W344 VanDerWaalsContact CB-CE2 3.4Å; F309-W344 HydrophobicContact CB-CE3 4.13Å; F309-W344 HydrophobicContact CB-CG 4.06Å; F309-W344 HydrophobicContact CB-CH2 4.2Å; F309-W344 HydrophobicContact CB-CZ2 3.71Å; F309-W344 HydrophobicContact CB-CZ3 4.39Å; F309-W344 AromaticContact CD1-CH2 3.97Å; F309-W344 HydrophobicContact CD1-CH2 3.97Å; F309-W344 AromaticContact CD1-CZ2 3.48Å; F309-W344 HydrophobicContact CD1-CZ2 3.48Å; F309-W344 VanDerWaalsContact CD1-CZ2 3.48Å; F309-W344 AromaticContact CD2-CE2 3.79Å; F309-W344 HydrophobicContact CD2-CZ2 4Å; F309-W344 AromaticContact CD2-NE1 3.39Å; F309-W344 HydrophobicContact CE1-CZ2 4.05Å; F309-W344 HydrophobicContact CG-CD2 4.24Å; F309-W344 AromaticContact CG-CE2 3.47Å; F309-W344 VanDerWaalsContact CG-CE2 3.47Å; F309-W344 HydrophobicContact CG-CH2 4.21Å; F309-W344 AromaticContact CG-CZ2 3.45Å; F309-W344 HydrophobicContact CG-CZ2 3.45Å; F309-W344 VanDerWaalsContact CG-CZ2 3.45Å; F309-W344 AromaticContact CG-NE1 3.57Å
310	R	98.9	Very high	98.9	Very high	81 Å²	81	38.1 Å²	38.1	31%	0.306	19%	0.187	S	C	.	.	H	α-helix	trans	-60.5	-48	172.9	-72.3	-170.5	-69.8	-87.6	-3.7	111.8	D306 D307 L312 R313 D314 W344 L346	D306-R310 WeakPolarHBondContact O-CG 3.37Å; D306-R310 PolarHBondContact O-N 3.38Å; D306-R310 VanDerWaalsContact O-N 3.08Å; D307-R310 VanDerWaalsContact CA-NH2 3.29Å; D307-R310 PolarHBondContact O-N 2.82Å; D307-R310 IonicContact OD1-NE 3.36Å; D307-R310 IonicContact OD1-NH2 2.79Å; D307-R310 PolarHBondContact OD1-NH2 2.61Å; R310-L312 PolarHBondContact O-N 3.42Å; R310-R313 WeakPolarHBondContact O-CB 3.31Å; R310-R313 PolarHBondContact O-N 3.42Å; R310-D314 PolarHBondContact O-N 2.89Å; R310-D314 VanDerWaalsContact O-N 3.07Å; R310-W344 WeakPolarHBondContact CD-O 3.48Å; R310-W344 HydrophobicContact CG-CB 4.39Å; R310-W344 PolarHBondContact NH1-O 3.32Å; R310-L346 HydrophobicContact CG-CD1 4Å; R310-L346 HydrophobicContact CG-CD2 3.82Å; R310-L346 HydrophobicContact CG-CG 3.9Å
311	K	98.9	Very high	98.9	Very high	100 Å²	100	38 Å²	38	44%	0.435	19%	0.186	S	C	.	.	H	α-helix	trans	-64.8	-39.7	177.2	-72.4	172.4	173.6	162.3	0	112.2	L270 D307 F308 R313 D314 I315	L270-K311 HydrophobicContact CD1-CB 3.66Å; L270-K311 HydrophobicContact CD1-CD 3.74Å; L270-K311 HydrophobicContact CD1-CG 4.36Å; L270-K311 HydrophobicContact CD2-CB 4.14Å; D307-K311 WeakPolarHBondContact O-CG 3.29Å; D307-K311 PolarHBondContact O-N 3.02Å; D307-K311 WeakPolarHBondContact OD2-CE 3.46Å; D307-K311 IonicContact OD2-NZ 3.97Å; D307-K311 PolarHBondContact OD2-NZ 3.48Å; F308-K311 PolarHBondContact O-N 3.06Å; K311-R313 VanDerWaalsContact C-N 3.34Å; K311-R313 PolarHBondContact O-N 2.93Å; K311-D314 PolarHBondContact O-N 3.03Å; K311-I315 WeakPolarHBondContact O-CG1 3.11Å; K311-I315 PolarHBondContact O-N 3.03Å
312	L	98.9	Very high	98.9	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-63.7	-40.7	176.3	-178.5	62.1	0	0	0	111.7	F213 L270 V273 I290 V292 F308 F309 R310 D314 I315 A316 F323	F213-L312 HydrophobicContact CE1-CD2 4.5Å; F213-L312 HydrophobicContact CE2-CD2 3.99Å; F213-L312 HydrophobicContact CZ-CD1 3.9Å; F213-L312 HydrophobicContact CZ-CD2 3.56Å; F213-L312 HydrophobicContact CZ-CG 4.39Å; L270-L312 HydrophobicContact CD2-CB 3.83Å; L270-L312 HydrophobicContact CD2-CD1 4.33Å; V273-L312 HydrophobicContact CB-CD1 4.48Å; V273-L312 HydrophobicContact CG1-CD1 3.87Å; V273-L312 HydrophobicContact CG2-CD1 4.22Å; I290-L312 HydrophobicContact CD1-CD1 4.44Å; V292-L312 HydrophobicContact CB-CD2 4.45Å; V292-L312 HydrophobicContact CG1-CD2 4.23Å; V292-L312 HydrophobicContact CG2-CD2 4.35Å; F308-L312 HydrophobicContact CE1-CD2 4.05Å; F308-L312 HydrophobicContact CZ-CD2 4.23Å; F308-L312 VanDerWaalsContact O-CB 3.3Å; F308-L312 WeakPolarHBondContact O-CB 3.29Å; F308-L312 PolarHBondContact O-N 2.89Å; F309-L312 PolarHBondContact O-N 2.7Å; R310-L312 PolarHBondContact O-N 3.42Å; L312-D314 VanDerWaalsContact C-N 3.3Å; L312-D314 PolarHBondContact O-N 3.09Å; L312-I315 PolarHBondContact O-N 2.81Å; L312-A316 PolarHBondContact O-N 3.06Å; L312-F323 HydrophobicContact CD2-CE2 3.8Å; L312-F323 HydrophobicContact CD2-CZ 4.02Å; L312-F323 HydrophobicContact CG-CE2 3.69Å; L312-F323 HydrophobicContact CG-CZ 4.09Å
313	R	98.9	Very high	98.9	Very high	4 Å²	4	36.5 Å²	36.5	2%	0.015	18%	0.178	C	C	.	.	H	α-helix	trans	-58.9	-42.6	172.6	171.1	60.3	-171.7	146.7	-11.4	111.4	F309 R310 K311 A316 R317 F323 L346 D348 D351 K367	F309-R313 WeakPolarHBondContact O-CB 3.43Å; F309-R313 PolarHBondContact O-N 3.4Å; R310-R313 WeakPolarHBondContact O-CB 3.31Å; R310-R313 PolarHBondContact O-N 3.42Å; K311-R313 VanDerWaalsContact C-N 3.34Å; K311-R313 PolarHBondContact O-N 2.93Å; R313-A316 WeakPolarHBondContact O-CB 3.44Å; R313-A316 PolarHBondContact O-N 3.43Å; R313-R317 PolarHBondContact O-N 3.48Å; R313-R317 VanDerWaalsContact O-N 3.1Å; R313-F323 HydrophobicContact CB-CD1 4.18Å; R313-F323 HydrophobicContact CB-CE1 4.02Å; R313-F323 HydrophobicContact CB-CZ 4.48Å; R313-F323 HydrophobicContact CG-CD1 4.41Å; R313-L346 HydrophobicContact CB-CD1 4.25Å; R313-L346 HydrophobicContact CG-CD1 4.11Å; R313-D348 IonicContact CZ-OD1 3.48Å; R313-D348 IonicContact CZ-OD2 3.09Å; R313-D348 PolarHBondContact NE-O 3.23Å; R313-D348 IonicContact NE-OD1 2.66Å; R313-D348 IonicContact NE-OD2 3.66Å; R313-D348 IonicContact NH2-OD1 3.97Å; R313-D348 PolarHBondContact NH2-OD1 3.37Å; R313-D348 IonicContact NH2-OD2 2.83Å; R313-D348 PolarHBondContact NH2-OD2 3.19Å; R313-D351 IonicContact CZ-OD1 3.59Å; R313-D351 IonicContact CZ-OD2 3.57Å; R313-D351 IonicContact NH1-OD1 2.87Å; R313-D351 IonicContact NH1-OD2 2.78Å; R313-D351 PolarHBondContact NH1-OD2 2.87Å; R313-D351 IonicContact NH2-OD1 3.75Å; R313-D351 PolarHBondContact NH2-OD1 2.96Å; R313-D351 IonicContact NH2-OD2 2.68Å; R313-D351 PolarHBondContact NH2-OD2 3.02Å; R313-K367 VanDerWaalsContact NH2-NZ 3.16Å
314	D	98.9	Very high	98.9	Very high	82 Å²	82	35.5 Å²	35.5	44%	0.439	17%	0.173	S	C	.	.	H	α-helix	trans	-66.5	-39.8	177.6	-69.1	-19.8	0	0	0	112.5	R310 K311 L312 A316 R317 K318	R310-D314 PolarHBondContact O-N 2.89Å; R310-D314 VanDerWaalsContact O-N 3.07Å; K311-D314 PolarHBondContact O-N 3.03Å; L312-D314 VanDerWaalsContact C-N 3.3Å; L312-D314 PolarHBondContact O-N 3.09Å; D314-A316 PolarHBondContact O-N 2.87Å; D314-R317 PolarHBondContact O-N 3.26Å; D314-R317 IonicContact OD1-CZ 2.61Å; D314-R317 IonicContact OD1-NH1 3.96Å; D314-R317 PolarHBondContact OD1-NH1 3.23Å; D314-R317 IonicContact OD1-NH2 3.9Å; D314-K318 VanDerWaalsContact O-CB 3.31Å; D314-K318 WeakPolarHBondContact O-CB 3.29Å; D314-K318 PolarHBondContact O-N 3.36Å
315	I	98.9	Very high	98.9	Very high	20 Å²	20	35 Å²	35	10%	0.103	17%	0.169	C	C	.	.	H	α-helix	trans	-59.5	-46.1	172.8	-68.9	169.6	0	0	0	110.6	L270 V273 E274 I277 K311 L312 R317 K318 H319	L270-I315 HydrophobicContact CB-CD1 3.93Å; L270-I315 HydrophobicContact CD2-CD1 3.76Å; L270-I315 HydrophobicContact CG-CD1 4.43Å; V273-I315 HydrophobicContact CG1-CG2 4.09Å; E274-I315 HydrophobicContact CB-CG2 4.39Å; I277-I315 HydrophobicContact CD1-CG2 3.9Å; K311-I315 WeakPolarHBondContact O-CG1 3.11Å; K311-I315 PolarHBondContact O-N 3.03Å; L312-I315 PolarHBondContact O-N 2.81Å; I315-R317 VanDerWaalsContact C-N 3.33Å; I315-R317 PolarHBondContact O-N 2.85Å; I315-K318 PolarHBondContact O-N 2.96Å; I315-H319 PolarHBondContact O-CD2 3.31Å; I315-H319 PolarHBondContact O-N 3.23Å; I315-H319 VanDerWaalsContact O-N 3.16Å
316	A	98.9	Very high	98.9	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-56.4	-48.9	177.7	0	0	0	0	0	111.2	I290 L312 R313 D314 H319 G320 C321 F323	I290-A316 HydrophobicContact CD1-CB 3.88Å; L312-A316 PolarHBondContact O-N 3.06Å; R313-A316 WeakPolarHBondContact O-CB 3.44Å; R313-A316 PolarHBondContact O-N 3.43Å; D314-A316 PolarHBondContact O-N 2.87Å; A316-H319 PolarHBondContact O-N 2.9Å; A316-G320 PolarHBondContact O-N 3.33Å; A316-C321 CarbonylContact C-O 3.52Å; A316-C321 HydrophobicContact CB-CB 4.47Å; A316-C321 PolarHBondContact O-N 2.85Å; A316-F323 HydrophobicContact CB-CB 3.95Å; A316-F323 HydrophobicContact CB-CD2 3.85Å; A316-F323 HydrophobicContact CB-CG 4.21Å
317	R	98.8	Very high	98.9	Very high	107 Å²	107	31.6 Å²	31.6	40%	0.404	15%	0.148	S	C	.	.	H	α-helix	trans	-62.1	-47.1	178.3	-167.3	-174.1	-57	101	-1.5	111.9	R313 D314 I315 H319 G320 D348	R313-R317 PolarHBondContact O-N 3.48Å; R313-R317 VanDerWaalsContact O-N 3.1Å; D314-R317 PolarHBondContact O-N 3.26Å; D314-R317 IonicContact OD1-CZ 2.61Å; D314-R317 IonicContact OD1-NH1 3.96Å; D314-R317 PolarHBondContact OD1-NH1 3.23Å; D314-R317 IonicContact OD1-NH2 3.9Å; I315-R317 VanDerWaalsContact C-N 3.33Å; I315-R317 PolarHBondContact O-N 2.85Å; R317-H319 PolarHBondContact O-N 3.04Å; R317-G320 PolarHBondContact O-N 3.13Å; R317-G320 VanDerWaalsContact O-N 3.07Å; R317-D348 IonicContact CZ-OD2 3.79Å; R317-D348 IonicContact NE-OD2 3.7Å; R317-D348 PolarHBondContact NE-OD2 3.09Å; R317-D348 IonicContact NH2-OD2 2.79Å; R317-D348 PolarHBondContact NH2-OD2 3.04Å
318	K	98.9	Very high	98.9	Very high	145 Å²	145	29.3 Å²	29.3	63%	0.63	14%	0.136	S	C	*	.	H	α-helix	trans	-53.9	-38.1	179.7	177.3	-178.6	172.7	-169.4	0	112.3	E274 D314 I315	E274-K318 VanDerWaalsContact CD-NZ 3.3Å; E274-K318 VanDerWaalsContact OE1-CD 3.3Å; E274-K318 WeakPolarHBondContact OE1-CD 3.47Å; E274-K318 WeakPolarHBondContact OE1-CE 3.18Å; E274-K318 IonicContact OE1-NZ 3.57Å; E274-K318 PolarHBondContact OE1-NZ 3.43Å; E274-K318 IonicContact OE2-NZ 2.87Å; E274-K318 PolarHBondContact OE2-NZ 2.9Å; E274-K318 VanDerWaalsContact OE2-NZ 3.13Å; D314-K318 VanDerWaalsContact O-CB 3.31Å; D314-K318 WeakPolarHBondContact O-CB 3.29Å; D314-K318 PolarHBondContact O-N 3.36Å; I315-K318 PolarHBondContact O-N 2.96Å
319	H	98.8	Very high	98.9	Very high	27 Å²	27	29.8 Å²	29.8	13%	0.125	14%	0.138	C	C	.	.	H	α-helix	trans	-95.3	-0.5	-178.5	-73.7	-80.4	0	0	0	115	E274 I277 R281 I315 A316 R317 C321	E274-H319 WeakPolarHBondContact CG-NE2 3.34Å; E274-H319 IonicContact OE1-CD2 3.95Å; E274-H319 IonicContact OE1-CE1 2.85Å; E274-H319 IonicContact OE1-NE2 2.86Å; E274-H319 PolarHBondContact OE1-NE2 3.41Å; I277-H319 HydrophobicContact CD1-CB 4.43Å; I277-H319 HydrophobicContact CG2-CB 3.78Å; R281-H319 PolarHBondContact NH2-O 3.48Å; I315-H319 PolarHBondContact O-CD2 3.31Å; I315-H319 PolarHBondContact O-N 3.23Å; I315-H319 VanDerWaalsContact O-N 3.16Å; A316-H319 PolarHBondContact O-N 2.9Å; R317-H319 PolarHBondContact O-N 3.04Å; H319-C321 VanDerWaalsContact C-N 3.28Å
320	G	98.6	Very high	98.9	Very high	24 Å²	24	29.8 Å²	29.8	25%	0.247	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.2	25.8	-176	0	0	0	0	0	113.3	W178 Y179 K182 A316 R317	W178-G320 VanDerWaalsContact CH2-O 3.28Å; W178-G320 WeakPolarHBondContact CH2-O 3.43Å; Y179-G320 WeakPolarHBondContact CE2-O 3.17Å; K182-G320 PolarHBondContact NZ-O 2.91Å; A316-G320 PolarHBondContact O-N 3.33Å; R317-G320 PolarHBondContact O-N 3.13Å; R317-G320 VanDerWaalsContact O-N 3.07Å
321	C	98.9	Very high	98.9	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.014	13%	0.125	C	C	.	.			trans	-86.4	138.4	172.2	-58.6	0	0	0	0	109.4	V287 I290 A316 H319	V287-C321 PolarHBondContact O-SG 3.49Å; I290-C321 HydrophobicContact CD1-CB 4.47Å; I290-C321 HydrophobicContact CG1-CB 4.2Å; A316-C321 CarbonylContact C-O 3.52Å; A316-C321 HydrophobicContact CB-CB 4.47Å; A316-C321 PolarHBondContact O-N 2.85Å; H319-C321 VanDerWaalsContact C-N 3.28Å
322	A	98.9	Very high	98.9	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	139	169.2	0	0	0	0	0	110.4	I175 W178 A288 G289 I290 F370	I175-A322 HydrophobicContact CB-CB 4.24Å; I175-A322 HydrophobicContact CD1-CB 3.93Å; I175-A322 HydrophobicContact CG1-CB 3.65Å; I175-A322 HydrophobicContact CG2-CB 3.67Å; W178-A322 HydrophobicContact CE3-CB 4.26Å; W178-A322 HydrophobicContact CH2-CB 4.26Å; W178-A322 HydrophobicContact CZ3-CB 3.82Å; A288-A322 PolarHBondContact O-N 3.07Å; G289-A322 CarbonylContact C-O 3.57Å; G289-A322 WeakPolarHBondContact CA-O 3.44Å; I290-A322 PolarHBondContact N-O 3.48Å; A322-F370 HydrophobicContact CB-CE1 3.52Å; A322-F370 HydrophobicContact CB-CZ 3.61Å
323	F	99	Very high	98.9	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	109	174.7	-162.9	-122.2	0	0	0	110.4	I290 V292 L312 R313 A316 V325 W344 P349 A350 D351 V352	I290-F323 HydrophobicContact CB-CD2 4.25Å; I290-F323 HydrophobicContact CG2-CD2 4.43Å; I290-F323 HydrophobicContact CG2-CE2 4.33Å; V292-F323 HydrophobicContact CG1-CE2 3.88Å; V292-F323 HydrophobicContact CG1-CZ 3.68Å; L312-F323 HydrophobicContact CD2-CE2 3.8Å; L312-F323 HydrophobicContact CD2-CZ 4.02Å; L312-F323 HydrophobicContact CG-CE2 3.69Å; L312-F323 HydrophobicContact CG-CZ 4.09Å; R313-F323 HydrophobicContact CB-CD1 4.18Å; R313-F323 HydrophobicContact CB-CE1 4.02Å; R313-F323 HydrophobicContact CB-CZ 4.48Å; R313-F323 HydrophobicContact CG-CD1 4.41Å; A316-F323 HydrophobicContact CB-CB 3.95Å; A316-F323 HydrophobicContact CB-CD2 3.85Å; A316-F323 HydrophobicContact CB-CG 4.21Å; F323-V325 HydrophobicContact CD1-CG2 3.85Å; F323-V325 HydrophobicContact CE1-CG2 3.64Å; F323-V325 HydrophobicContact CZ-CG2 4.36Å; F323-W344 HydrophobicContact CE1-CH2 4.26Å; F323-W344 AromaticContact CE1-CZ3 3.87Å; F323-W344 HydrophobicContact CE1-CZ3 3.87Å; F323-P349 WeakPolarHBondContact CD1-O 3.03Å; F323-A350 HydrophobicContact CD1-CB 3.99Å; F323-D351 PolarHBondContact N-OD2 3.08Å; F323-D351 PolarHBondContact O-N 3.3Å; F323-V352 PolarHBondContact O-N 3.3Å
324	L	99	Very high	98.9	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	114.9	179.5	177.7	68.9	0	0	0	110	A171 L172 I175 I290 I291 V292 V352 T354	A171-L324 HydrophobicContact CB-CD1 3.63Å; A171-L324 HydrophobicContact CB-CD2 4.17Å; L172-L324 HydrophobicContact CD2-CD2 3.7Å; I175-L324 HydrophobicContact CD1-CB 3.94Å; I175-L324 HydrophobicContact CD1-CD2 4.3Å; I290-L324 WeakPolarHBondContact O-CB 2.99Å; I290-L324 PolarHBondContact O-N 2.68Å; I291-L324 WeakPolarHBondContact CA-O 3.33Å; I291-L324 HydrophobicContact CB-CB 4.31Å; I291-L324 HydrophobicContact CB-CD2 3.9Å; I291-L324 HydrophobicContact CB-CG 4.34Å; I291-L324 HydrophobicContact CD1-CD2 3.45Å; I291-L324 VanDerWaalsContact CD1-CD2 3.45Å; I291-L324 HydrophobicContact CD1-CG 4.24Å; I291-L324 HydrophobicContact CG1-CB 4.32Å; I291-L324 HydrophobicContact CG1-CD2 3.52Å; I291-L324 HydrophobicContact CG1-CG 3.87Å; V292-L324 PolarHBondContact N-O 3.12Å; V292-L324 VanDerWaalsContact N-O 3.07Å; L324-V352 WeakPolarHBondContact CA-O 3.37Å; L324-V352 HydrophobicContact CD1-CB 3.61Å; L324-V352 HydrophobicContact CD1-CG1 3.46Å; L324-V352 VanDerWaalsContact CD1-CG1 3.46Å; L324-T354 HydrophobicContact CD1-CG2 3.94Å
325	V	99	Very high	98.9	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	118.3	176.7	178.5	0	0	0	0	109.7	P294 F323 E327 H341 W344 A350 V352 M353 T354	P294-V325 HydrophobicContact CG-CG1 3.66Å; F323-V325 HydrophobicContact CD1-CG2 3.85Å; F323-V325 HydrophobicContact CE1-CG2 3.64Å; F323-V325 HydrophobicContact CZ-CG2 4.36Å; V325-E327 HydrophobicContact CG1-CG 3.79Å; V325-E327 PolarHBondContact O-N 3.43Å; V325-H341 HydrophobicContact CG1-CB 4.38Å; V325-W344 HydrophobicContact CG1-CH2 3.93Å; V325-W344 HydrophobicContact CG2-CH2 3.7Å; V325-W344 HydrophobicContact CG2-CZ3 3.84Å; V325-A350 HydrophobicContact CB-CB 4.24Å; V325-A350 HydrophobicContact CG2-CB 3.58Å; V325-V352 PolarHBondContact N-O 3.36Å; V325-M353 HydrophobicContact CB-CG 4.33Å; V325-M353 VanDerWaalsContact O-CA 3.26Å; V325-M353 WeakPolarHBondContact O-CA 3.07Å; V325-M353 WeakPolarHBondContact O-CG 3.39Å; V325-T354 PolarHBondContact O-N 2.93Å
326	D	99	Very high	98.8	Very high	7 Å²	7	17.3 Å²	17.3	4%	0.037	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	100.9	177.5	-172	-19	0	0	0	110.4	N168 H218 V292 E293 P294 V328 T354	N168-D326 PolarHBondContact ND2-OD2 3.3Å; H218-D326 IonicContact CE1-OD2 2.67Å; H218-D326 IonicContact CG-OD2 3.34Å; H218-D326 IonicContact ND1-OD2 3.77Å; H218-D326 PolarHBondContact ND1-OD2 2.98Å; V292-D326 PolarHBondContact O-N 3.17Å; E293-D326 HydrophobicContact CG-CB 4.29Å; P294-D326 VanDerWaalsContact CD-O 3.23Å; P294-D326 WeakPolarHBondContact CD-O 3.49Å; D326-V328 WeakPolarHBondContact OD1-CB 3.27Å; D326-V328 WeakPolarHBondContact OD1-CG2 3.44Å; D326-V328 PolarHBondContact OD1-N 3.32Å; D326-T354 WeakPolarHBondContact CA-OG1 3.39Å
327	E	98.9	Very high	98.8	Very high	1 Å²	1	21 Å²	21	1%	0.005	10%	0.103	C	C	.	.			trans	-103.6	21.5	176.6	-69.5	-114	-146.6	0	0	111.9	P294 V325 Q329 T330 G331 W339 A340 H341 M353 T354	P294-E327 HydrophobicContact CG-CG 4.01Å; V325-E327 HydrophobicContact CG1-CG 3.79Å; V325-E327 PolarHBondContact O-N 3.43Å; E327-Q329 PolarHBondContact O-N 2.79Å; E327-T330 WeakPolarHBondContact CA-OG1 3.46Å; E327-T330 WeakPolarHBondContact OE2-CB 3.16Å; E327-T330 PolarHBondContact OE2-OG1 2.93Å; E327-G331 WeakPolarHBondContact O-CA 3.45Å; E327-G331 PolarHBondContact O-N 3.3Å; E327-G331 PolarHBondContact OE2-N 2.74Å; E327-W339 HydrophobicContact CB-CE3 3.97Å; E327-W339 HydrophobicContact CB-CZ3 4.31Å; E327-W339 HydrophobicContact CG-CE3 4.5Å; E327-W339 WeakPolarHBondContact OE1-CB 3.29Å; E327-A340 VanDerWaalsContact CD-N 3.3Å; E327-A340 PolarHBondContact OE1-N 3.03Å; E327-A340 WeakPolarHBondContact OE2-CB 3.09Å; E327-A340 PolarHBondContact OE2-N 3.15Å; E327-H341 IonicContact OE1-CE1 2.79Å; E327-H341 IonicContact OE1-CG 3.74Å; E327-H341 PolarHBondContact OE1-N 2.81Å; E327-H341 IonicContact OE1-ND1 3.59Å; E327-H341 PolarHBondContact OE1-ND1 3.29Å; E327-M353 HydrophobicContact CB-CG 4.09Å; E327-M353 HydrophobicContact CB-SD 4.1Å; E327-M353 HydrophobicContact CG-CG 3.87Å; E327-M353 HydrophobicContact CG-SD 3.85Å; E327-T354 CarbonylContact C-O 3.51Å; E327-T354 WeakPolarHBondContact CA-O 3.46Å; E327-T354 WeakPolarHBondContact CB-O 3.42Å; E327-T354 PolarHBondContact N-O 2.83Å
328	V	98.9	Very high	98.8	Very high	14 Å²	14	16.5 Å²	16.5	9%	0.085	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-33.9	176.7	166.8	0	0	0	0	111.6	D326 T354 K357	D326-V328 WeakPolarHBondContact OD1-CB 3.27Å; D326-V328 WeakPolarHBondContact OD1-CG2 3.44Å; D326-V328 PolarHBondContact OD1-N 3.32Å; V328-T354 PolarHBondContact N-O 3.29Å; V328-K357 HydrophobicContact CG1-CD 4.35Å; V328-K357 HydrophobicContact CG1-CG 4.03Å; V328-K357 VanDerWaalsContact O-CB 3.29Å; V328-K357 WeakPolarHBondContact O-CB 3.21Å; V328-K357 WeakPolarHBondContact O-CD 3.38Å; V328-K357 WeakPolarHBondContact O-CG 3.02Å
329	Q	98.9	Very high	98.9	Very high	10 Å²	10	9.7 Å²	9.7	5%	0.047	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.4	-31.9	-179.4	-161.3	169	145.6	0	0	114.9	S297 E327 K357 F439 R475	S297-Q329 VanDerWaalsContact CB-NE2 3.27Å; S297-Q329 VanDerWaalsContact CB-OE1 3.24Å; S297-Q329 PolarHBondContact OG-OE1 2.88Å; E327-Q329 PolarHBondContact O-N 2.79Å; Q329-K357 HydrophobicContact CB-CD 4.27Å; Q329-K357 HydrophobicContact CG-CD 4.09Å; Q329-F439 HydrophobicContact CG-CE2 4.29Å; Q329-F439 HydrophobicContact CG-CZ 4.45Å; Q329-R475 VanDerWaalsContact OE1-NE 3.15Å
330	T	98.9	Very high	98.9	Very high	1 Å²	1	8.5 Å²	8.5	1%	0.006	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-25	-178.8	52.6	0	0	0	0	113	P294 I295 E327 C334 A340 F439	P294-T330 HydrophobicContact CB-CG2 4.45Å; I295-T330 HydrophobicContact CB-CG2 4.07Å; I295-T330 HydrophobicContact CG1-CG2 4.48Å; E327-T330 WeakPolarHBondContact CA-OG1 3.46Å; E327-T330 WeakPolarHBondContact OE2-CB 3.16Å; E327-T330 PolarHBondContact OE2-OG1 2.93Å; T330-C334 PolarHBondContact O-SG 3.37Å; T330-A340 HydrophobicContact CG2-CB 4.46Å; T330-F439 HydrophobicContact CG2-CE2 4.26Å; T330-F439 HydrophobicContact CG2-CZ 4.1Å
331	G	98.8	Very high	98.9	Very high	4 Å²	4	7.6 Å²	7.6	4%	0.041	4%	0.041	C	C	.	.			trans	-70.9	157.8	-179.7	0	0	0	0	0	113.7	E327	E327-G331 WeakPolarHBondContact O-CA 3.45Å; E327-G331 PolarHBondContact O-N 3.3Å; E327-G331 PolarHBondContact OE2-N 2.74Å
332	G	98.6	Very high	98.9	Very high	1 Å²	1	11.1 Å²	11.1	1%	0.01	6%	0.058	C	C	.	.	S	Bend	trans	89.6	22.9	-179.8	0	0	0	0	0	114.1	F338 L478	G332-F338 PolarHBondContact N-O 2.83Å; G332-L478 WeakPolarHBondContact O-CD1 3.38Å
333	G	98.7	Very high	98.9	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.068	C	C	.	.	S	Bend	trans	105.3	-15.8	159.4	0	0	0	0	0	118.2	T335 G336 K337 F338	G333-T335 PolarHBondContact O-N 3.03Å; G333-G336 PolarHBondContact O-N 3.17Å; G333-K337 CarbonylContact C-O 3.47Å; G333-K337 WeakPolarHBondContact CA-O 3.13Å; G333-F338 PolarHBondContact N-O 3.09Å
334	C	98.4	Very high	98.9	Very high	3 Å²	3	13.6 Å²	13.6	2%	0.02	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-18.7	-170.2	60.3	0	0	0	0	114.9	T330 G336 G437 T438 F439	T330-C334 PolarHBondContact O-SG 3.37Å; C334-G336 VanDerWaalsContact C-N 3.33Å; C334-G437 CarbonylContact O-C 3.56Å; C334-G437 WeakPolarHBondContact O-CA 3.46Å; C334-T438 PolarHBondContact O-N 2.97Å; C334-T438 PolarHBondContact O-OG1 2.91Å; C334-F439 VanDerWaalsContact SG-CD2 3.53Å
335	T	98.9	Very high	98.9	Very high	3 Å²	3	16.6 Å²	16.6	2%	0.018	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	4.7	176.8	67.7	0	0	0	0	113.7	I295 G333 K337 A340 H343 R436 F439	I295-T335 HydrophobicContact CD1-CG2 4.23Å; G333-T335 PolarHBondContact O-N 3.03Å; T335-K337 VanDerWaalsContact C-N 3.33Å; T335-A340 HydrophobicContact CG2-CB 3.89Å; T335-H343 PolarHBondContact O-CE1 3.21Å; T335-H343 PolarHBondContact O-NE2 3.41Å; T335-H343 PolarHBondContact OG1-NE2 3.17Å; T335-R436 WeakPolarHBondContact CA-O 3.34Å; T335-F439 HydrophobicContact CG2-CB 4.28Å
336	G	98.8	Very high	98.8	Very high	14 Å²	14	18.5 Å²	18.5	14%	0.144	11%	0.11	C	C	.	.	S	Bend	trans	87.2	-2	-174.1	0	0	0	0	0	114.6	G333 C334 L405	G333-G336 PolarHBondContact O-N 3.17Å; C334-G336 VanDerWaalsContact C-N 3.33Å; G336-L405 WeakPolarHBondContact CA-O 3.49Å
337	K	98.9	Very high	98.8	Very high	77 Å²	77	23.9 Å²	23.9	34%	0.335	14%	0.139	S	C	.	.	S	Bend	trans	-131.8	155.4	169.3	-69.1	-171.4	-179.7	-69.9	0	109	G333 T335 W339 E342	G333-K337 CarbonylContact C-O 3.47Å; G333-K337 WeakPolarHBondContact CA-O 3.13Å; T335-K337 VanDerWaalsContact C-N 3.33Å; K337-W339 PolarHBondContact O-N 2.89Å; K337-E342 HydrophobicContact CB-CB 4.17Å; K337-E342 HydrophobicContact CD-CB 3.45Å; K337-E342 VanDerWaalsContact CD-CB 3.45Å; K337-E342 HydrophobicContact CG-CB 4.43Å
338	F	98.9	Very high	98.8	Very high	13 Å²	13	25.9 Å²	25.9	6%	0.057	15%	0.149	C	C	.	.	S	Bend	trans	-62	-49.3	-174	-163.9	-79.5	0	0	0	110.8	V150 G332 G333 M359 I396 I399 L405	V150-F338 HydrophobicContact CB-CD1 3.98Å; V150-F338 HydrophobicContact CB-CE1 3.86Å; V150-F338 HydrophobicContact CB-CE2 4.4Å; V150-F338 HydrophobicContact CB-CG 4.31Å; V150-F338 HydrophobicContact CB-CZ 4.08Å; V150-F338 HydrophobicContact CG1-CD1 4.3Å; V150-F338 HydrophobicContact CG1-CD2 3.94Å; V150-F338 HydrophobicContact CG1-CE1 4.16Å; V150-F338 HydrophobicContact CG1-CE2 3.78Å; V150-F338 HydrophobicContact CG1-CG 4.2Å; V150-F338 HydrophobicContact CG1-CZ 3.9Å; V150-F338 HydrophobicContact CG2-CD1 4.27Å; V150-F338 HydrophobicContact CG2-CE1 3.65Å; V150-F338 HydrophobicContact CG2-CZ 3.81Å; G332-F338 PolarHBondContact N-O 2.83Å; G333-F338 PolarHBondContact N-O 3.09Å; F338-M359 HydrophobicContact CE1-CE 3.77Å; F338-M359 HydrophobicContact CE1-SD 3.8Å; F338-M359 HydrophobicContact CZ-CE 3.7Å; F338-M359 HydrophobicContact CZ-SD 3.79Å; F338-I396 HydrophobicContact CE2-CG1 4.26Å; F338-I396 HydrophobicContact CZ-CD1 4.27Å; F338-I396 HydrophobicContact CZ-CG1 4.19Å; F338-I399 HydrophobicContact CE2-CD1 4.3Å; F338-L405 HydrophobicContact CB-CD1 4.22Å
339	W	98.9	Very high	98.8	Very high	3 Å²	3	25.3 Å²	25.3	1%	0.011	15%	0.146	C	C	.	.	S	Bend	trans	-108.1	135.9	168.2	-49.8	109.9	0	0	0	110.2	V150 E327 K337 H341 E342 M353 F355 M359 F365	V150-W339 HydrophobicContact CG2-CZ2 4.14Å; V150-W339 PolarHBondContact O-NE1 2.88Å; E327-W339 HydrophobicContact CB-CE3 3.97Å; E327-W339 HydrophobicContact CB-CZ3 4.31Å; E327-W339 HydrophobicContact CG-CE3 4.5Å; E327-W339 WeakPolarHBondContact OE1-CB 3.29Å; K337-W339 PolarHBondContact O-N 2.89Å; W339-H341 VanDerWaalsContact C-N 3.27Å; W339-H341 WeakPolarHBondContact CB-CE1 3.36Å; W339-H341 WeakPolarHBondContact CB-ND1 3.29Å; W339-H341 AromaticContact CG-CE1 3.82Å; W339-H341 PolarHBondContact O-N 3.15Å; W339-E342 HydrophobicContact CB-CG 4.17Å; W339-E342 PolarHBondContact N-OE1 2.83Å; W339-E342 VanDerWaalsContact O-CB 3.31Å; W339-E342 WeakPolarHBondContact O-CB 3.26Å; W339-E342 WeakPolarHBondContact O-CG 3.35Å; W339-E342 PolarHBondContact O-N 3.34Å; W339-M353 HydrophobicContact CB-SD 4.32Å; W339-M353 HydrophobicContact CD2-CE 3.51Å; W339-M353 HydrophobicContact CD2-SD 3.76Å; W339-M353 HydrophobicContact CE3-CE 3.49Å; W339-M353 VanDerWaalsContact CE3-CE 3.49Å; W339-M353 HydrophobicContact CE3-SD 3.86Å; W339-M353 HydrophobicContact CG-CE 4.27Å; W339-M353 HydrophobicContact CG-SD 3.99Å; W339-M353 HydrophobicContact CH2-CE 3.6Å; W339-M353 HydrophobicContact CZ2-CE 3.61Å; W339-M353 HydrophobicContact CZ3-CE 3.54Å; W339-M353 HydrophobicContact CZ3-SD 4.46Å; W339-F355 HydrophobicContact CH2-CB 3.83Å; W339-F355 HydrophobicContact CH2-CD1 4.16Å; W339-F355 HydrophobicContact CH2-CG 4.01Å; W339-F355 HydrophobicContact CZ3-CB 3.75Å; W339-F355 HydrophobicContact CZ3-CG 4.43Å; W339-M359 HydrophobicContact CH2-CE 3.89Å; W339-M359 HydrophobicContact CH2-CG 4.17Å; W339-M359 HydrophobicContact CH2-SD 3.99Å; W339-M359 HydrophobicContact CZ2-CE 4.36Å; W339-M359 HydrophobicContact CZ3-CG 4.41Å; W339-M359 HydrophobicContact CZ3-SD 4.37Å; W339-F365 HydrophobicContact CH2-CE2 4.46Å; W339-F365 AromaticContact CZ2-CE2 3.95Å; W339-F365 HydrophobicContact CZ2-CE2 3.95Å
340	A	98.9	Very high	98.8	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.008	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-65.9	-29.7	-177.5	0	0	0	0	0	112.9	P294 E327 T330 T335 E342 H343	P294-A340 HydrophobicContact CB-CB 3.85Å; P294-A340 HydrophobicContact CG-CB 4.23Å; E327-A340 VanDerWaalsContact CD-N 3.3Å; E327-A340 PolarHBondContact OE1-N 3.03Å; E327-A340 WeakPolarHBondContact OE2-CB 3.09Å; E327-A340 PolarHBondContact OE2-N 3.15Å; T330-A340 HydrophobicContact CG2-CB 4.46Å; T335-A340 HydrophobicContact CG2-CB 3.89Å; A340-E342 PolarHBondContact O-N 2.8Å; A340-H343 WeakPolarHBondContact O-CB 3.36Å; A340-H343 PolarHBondContact O-CD2 3.28Å; A340-H343 VanDerWaalsContact O-CD2 3.22Å; A340-H343 PolarHBondContact O-N 3.09Å
341	H	98.9	Very high	98.8	Very high	5 Å²	5	25.2 Å²	25.2	2%	0.023	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-64.8	-17.6	176.6	75.5	-96.3	0	0	0	113.5	V325 E327 W339 H343 W344 P349 M353	V325-H341 HydrophobicContact CG1-CB 4.38Å; E327-H341 IonicContact OE1-CE1 2.79Å; E327-H341 IonicContact OE1-CG 3.74Å; E327-H341 PolarHBondContact OE1-N 2.81Å; E327-H341 IonicContact OE1-ND1 3.59Å; E327-H341 PolarHBondContact OE1-ND1 3.29Å; W339-H341 VanDerWaalsContact C-N 3.27Å; W339-H341 WeakPolarHBondContact CB-CE1 3.36Å; W339-H341 WeakPolarHBondContact CB-ND1 3.29Å; W339-H341 AromaticContact CG-CE1 3.82Å; W339-H341 PolarHBondContact O-N 3.15Å; H341-H343 PolarHBondContact O-N 3.31Å; H341-H343 VanDerWaalsContact O-N 3.16Å; H341-W344 HydrophobicContact CB-CD2 3.79Å; H341-W344 HydrophobicContact CB-CE3 3.6Å; H341-W344 HydrophobicContact CB-CH2 3.67Å; H341-W344 HydrophobicContact CB-CZ2 3.86Å; H341-W344 HydrophobicContact CB-CZ3 3.53Å; H341-W344 VanDerWaalsContact O-CB 3.26Å; H341-W344 WeakPolarHBondContact O-CB 3.47Å; H341-W344 VanDerWaalsContact O-CG 3.23Å; H341-W344 PolarHBondContact O-N 2.95Å; H341-P349 WeakPolarHBondContact CD2-CB 3.28Å; H341-M353 PolarHBondContact CE1-SD 3.43Å
342	E	98.9	Very high	98.8	Very high	77 Å²	77	25 Å²	25	36%	0.36	14%	0.144	S	C	.	.	G	3₁₀ helix	trans	-61	-23.8	175.4	-68.1	173	-138.7	0	0	112.2	K337 W339 A340 W344 G345	K337-E342 HydrophobicContact CB-CB 4.17Å; K337-E342 HydrophobicContact CD-CB 3.45Å; K337-E342 VanDerWaalsContact CD-CB 3.45Å; K337-E342 HydrophobicContact CG-CB 4.43Å; W339-E342 HydrophobicContact CB-CG 4.17Å; W339-E342 PolarHBondContact N-OE1 2.83Å; W339-E342 VanDerWaalsContact O-CB 3.31Å; W339-E342 WeakPolarHBondContact O-CB 3.26Å; W339-E342 WeakPolarHBondContact O-CG 3.35Å; W339-E342 PolarHBondContact O-N 3.34Å; A340-E342 PolarHBondContact O-N 2.8Å; E342-W344 PolarHBondContact O-N 2.88Å; E342-G345 PolarHBondContact O-N 2.85Å
343	H	98.9	Very high	98.8	Very high	49 Å²	49	25 Å²	25	23%	0.227	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-65.6	-19.8	173.6	-69.7	-74.4	0	0	0	112.9	T335 A340 H341 G345	T335-H343 PolarHBondContact O-CE1 3.21Å; T335-H343 PolarHBondContact O-NE2 3.41Å; T335-H343 PolarHBondContact OG1-NE2 3.17Å; A340-H343 WeakPolarHBondContact O-CB 3.36Å; A340-H343 PolarHBondContact O-CD2 3.28Å; A340-H343 VanDerWaalsContact O-CD2 3.22Å; A340-H343 PolarHBondContact O-N 3.09Å; H341-H343 PolarHBondContact O-N 3.31Å; H341-H343 VanDerWaalsContact O-N 3.16Å; H343-G345 PolarHBondContact O-N 2.86Å
344	W	98.9	Very high	98.8	Very high	3 Å²	3	25 Å²	25	1%	0.011	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-71.5	-19	178.6	-51.6	-19.3	0	0	0	112.9	P294 F309 R310 F323 V325 H341 E342 L346	P294-W344 HydrophobicContact CB-CZ2 3.92Å; P294-W344 HydrophobicContact CG-CH2 4.45Å; P294-W344 HydrophobicContact CG-CZ2 4.06Å; F309-W344 HydrophobicContact CB-CD2 3.64Å; F309-W344 VanDerWaalsContact CB-CE2 3.4Å; F309-W344 HydrophobicContact CB-CE3 4.13Å; F309-W344 HydrophobicContact CB-CG 4.06Å; F309-W344 HydrophobicContact CB-CH2 4.2Å; F309-W344 HydrophobicContact CB-CZ2 3.71Å; F309-W344 HydrophobicContact CB-CZ3 4.39Å; F309-W344 AromaticContact CD1-CH2 3.97Å; F309-W344 HydrophobicContact CD1-CH2 3.97Å; F309-W344 AromaticContact CD1-CZ2 3.48Å; F309-W344 HydrophobicContact CD1-CZ2 3.48Å; F309-W344 VanDerWaalsContact CD1-CZ2 3.48Å; F309-W344 AromaticContact CD2-CE2 3.79Å; F309-W344 HydrophobicContact CD2-CZ2 4Å; F309-W344 AromaticContact CD2-NE1 3.39Å; F309-W344 HydrophobicContact CE1-CZ2 4.05Å; F309-W344 HydrophobicContact CG-CD2 4.24Å; F309-W344 AromaticContact CG-CE2 3.47Å; F309-W344 VanDerWaalsContact CG-CE2 3.47Å; F309-W344 HydrophobicContact CG-CH2 4.21Å; F309-W344 AromaticContact CG-CZ2 3.45Å; F309-W344 HydrophobicContact CG-CZ2 3.45Å; F309-W344 VanDerWaalsContact CG-CZ2 3.45Å; F309-W344 AromaticContact CG-NE1 3.57Å; R310-W344 WeakPolarHBondContact CD-O 3.48Å; R310-W344 HydrophobicContact CG-CB 4.39Å; R310-W344 PolarHBondContact NH1-O 3.32Å; F323-W344 HydrophobicContact CE1-CH2 4.26Å; F323-W344 AromaticContact CE1-CZ3 3.87Å; F323-W344 HydrophobicContact CE1-CZ3 3.87Å; V325-W344 HydrophobicContact CG1-CH2 3.93Å; V325-W344 HydrophobicContact CG2-CH2 3.7Å; V325-W344 HydrophobicContact CG2-CZ3 3.84Å; H341-W344 HydrophobicContact CB-CD2 3.79Å; H341-W344 HydrophobicContact CB-CE3 3.6Å; H341-W344 HydrophobicContact CB-CH2 3.67Å; H341-W344 HydrophobicContact CB-CZ2 3.86Å; H341-W344 HydrophobicContact CB-CZ3 3.53Å; H341-W344 VanDerWaalsContact O-CB 3.26Å; H341-W344 WeakPolarHBondContact O-CB 3.47Å; H341-W344 VanDerWaalsContact O-CG 3.23Å; H341-W344 PolarHBondContact O-N 2.95Å; E342-W344 PolarHBondContact O-N 2.88Å; W344-L346 VanDerWaalsContact C-N 3.33Å; W344-L346 HydrophobicContact CB-CD1 4.37Å; W344-L346 HydrophobicContact CB-CG 4.25Å; W344-L346 HydrophobicContact CE3-CD1 4.43Å; W344-L346 PolarHBondContact O-N 3.36Å
345	G	98.7	Very high	98.9	Very high	63 Å²	63	24.9 Å²	24.9	65%	0.649	14%	0.142	S	C	*	.			trans	69.6	26.2	177.4	0	0	0	0	0	114.2	E342 H343	E342-G345 PolarHBondContact O-N 2.85Å; H343-G345 PolarHBondContact O-N 2.86Å
346	L	98.6	Very high	98.9	Very high	39 Å²	39	25.4 Å²	25.4	20%	0.204	15%	0.147	C	C	.	.			trans	-94.7	141.2	-178.4	-67.6	177.7	0	0	0	112.2	R310 R313 W344 P349	R310-L346 HydrophobicContact CG-CD1 4Å; R310-L346 HydrophobicContact CG-CD2 3.82Å; R310-L346 HydrophobicContact CG-CG 3.9Å; R313-L346 HydrophobicContact CB-CD1 4.25Å; R313-L346 HydrophobicContact CG-CD1 4.11Å; W344-L346 VanDerWaalsContact C-N 3.33Å; W344-L346 HydrophobicContact CB-CD1 4.37Å; W344-L346 HydrophobicContact CB-CG 4.25Å; W344-L346 HydrophobicContact CE3-CD1 4.43Å; W344-L346 PolarHBondContact O-N 3.36Å; L346-P349 HydrophobicContact CB-CB 4.15Å
347	D	98.7	Very high	98.9	Very high	121 Å²	121	27 Å²	27	65%	0.647	15%	0.149	S	C	*	.	S	Bend	trans	-79.7	-25.6	168	-68.7	-36.6	0	0	0	112.7	K153 P349	K153-D347 IonicContact NZ-OD1 3.73Å; K153-D347 PolarHBondContact NZ-OD1 3.12Å; D347-P349 WeakPolarHBondContact O-CD 3.09Å
348	D	98.6	Very high	98.9	Very high	42 Å²	42	23.5 Å²	23.5	23%	0.225	13%	0.134	C	C	.	.	S	Bend	trans	-119.3	68.7	174.2	175.4	27	0	0	0	110.2	R313 R317 A350 K367	R313-D348 IonicContact CZ-OD1 3.48Å; R313-D348 IonicContact CZ-OD2 3.09Å; R313-D348 PolarHBondContact NE-O 3.23Å; R313-D348 IonicContact NE-OD1 2.66Å; R313-D348 IonicContact NE-OD2 3.66Å; R313-D348 IonicContact NH2-OD1 3.97Å; R313-D348 PolarHBondContact NH2-OD1 3.37Å; R313-D348 IonicContact NH2-OD2 2.83Å; R313-D348 PolarHBondContact NH2-OD2 3.19Å; R317-D348 IonicContact CZ-OD2 3.79Å; R317-D348 IonicContact NE-OD2 3.7Å; R317-D348 PolarHBondContact NE-OD2 3.09Å; R317-D348 IonicContact NH2-OD2 2.79Å; R317-D348 PolarHBondContact NH2-OD2 3.04Å; D348-A350 PolarHBondContact O-N 2.61Å; D348-K367 WeakPolarHBondContact OD1-CE 3.26Å; D348-K367 IonicContact OD1-NZ 3.87Å; D348-K367 PolarHBondContact OD1-NZ 2.93Å; D348-K367 IonicContact OD2-NZ 2.74Å
349	P	98.7	Very high	98.9	Very high	2 Å²	2	23 Å²	23	1%	0.013	13%	0.132	C	C	.	.			trans	-70.8	-32.1	-170.5	28	-35	0	0	0	113.1	F323 H341 L346 D347	F323-P349 WeakPolarHBondContact CD1-O 3.03Å; H341-P349 WeakPolarHBondContact CD2-CB 3.28Å; L346-P349 HydrophobicContact CB-CB 4.15Å; D347-P349 WeakPolarHBondContact O-CD 3.09Å
350	A	98.9	Very high	98.8	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.008	14%	0.144	C	C	.	.			trans	-164.9	168.1	-176.8	0	0	0	0	0	111.6	M155 F323 V325 D348 K367	M155-A350 VanDerWaalsContact CE-C 3.47Å; M155-A350 HydrophobicContact CE-CB 3.5Å; M155-A350 VanDerWaalsContact CE-O 3.24Å; M155-A350 WeakPolarHBondContact CE-O 3.33Å; F323-A350 HydrophobicContact CD1-CB 3.99Å; V325-A350 HydrophobicContact CB-CB 4.24Å; V325-A350 HydrophobicContact CG2-CB 3.58Å; D348-A350 PolarHBondContact O-N 2.61Å; A350-K367 WeakPolarHBondContact O-CE 3.31Å
351	D	98.9	Very high	98.8	Very high	9 Å²	9	25.4 Å²	25.4	5%	0.048	14%	0.144	C	C	.	.	S	Bend	trans	-94.9	-34.1	174.8	-59.2	-52.1	0	0	0	111.6	R313 F323 H366 K367 F370	R313-D351 IonicContact CZ-OD1 3.59Å; R313-D351 IonicContact CZ-OD2 3.57Å; R313-D351 IonicContact NH1-OD1 2.87Å; R313-D351 IonicContact NH1-OD2 2.78Å; R313-D351 PolarHBondContact NH1-OD2 2.87Å; R313-D351 IonicContact NH2-OD1 3.75Å; R313-D351 PolarHBondContact NH2-OD1 2.96Å; R313-D351 IonicContact NH2-OD2 2.68Å; R313-D351 PolarHBondContact NH2-OD2 3.02Å; F323-D351 PolarHBondContact N-OD2 3.08Å; F323-D351 PolarHBondContact O-N 3.3Å; D351-H366 VanDerWaalsContact O-CA 3.29Å; D351-H366 WeakPolarHBondContact O-CA 3.09Å; D351-K367 HydrophobicContact CB-CD 4.48Å; D351-K367 PolarHBondContact O-N 2.85Å; D351-K367 WeakPolarHBondContact OD1-CE 3.43Å; D351-K367 IonicContact OD1-NZ 3.51Å; D351-K367 PolarHBondContact OD1-NZ 3.36Å; D351-F370 HydrophobicContact CB-CD2 4.28Å; D351-F370 HydrophobicContact CB-CE1 4.49Å; D351-F370 HydrophobicContact CB-CE2 3.55Å; D351-F370 HydrophobicContact CB-CZ 3.66Å
352	V	99	Very high	98.8	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	141.6	177	-173.3	0	0	0	0	108.9	A171 I175 F323 L324 V325 F364 F365 H366 F370	A171-V352 HydrophobicContact CB-CG1 3.85Å; I175-V352 HydrophobicContact CD1-CG2 4.48Å; I175-V352 HydrophobicContact CG1-CG2 4.25Å; F323-V352 PolarHBondContact O-N 3.3Å; L324-V352 WeakPolarHBondContact CA-O 3.37Å; L324-V352 HydrophobicContact CD1-CB 3.61Å; L324-V352 HydrophobicContact CD1-CG1 3.46Å; L324-V352 VanDerWaalsContact CD1-CG1 3.46Å; V325-V352 PolarHBondContact N-O 3.36Å; V352-F364 HydrophobicContact CG1-CB 4.09Å; V352-F364 HydrophobicContact CG1-CD2 3.95Å; V352-F364 HydrophobicContact CG1-CG 4.34Å; V352-F365 CarbonylContact C-O 3.5Å; V352-F365 WeakPolarHBondContact CA-O 3.33Å; V352-F365 WeakPolarHBondContact CG1-O 3.27Å; V352-H366 HydrophobicContact CB-CB 4.33Å; V352-H366 HydrophobicContact CG1-CB 4.23Å; V352-H366 HydrophobicContact CG2-CB 3.9Å; V352-F370 HydrophobicContact CG2-CD1 4.09Å; V352-F370 HydrophobicContact CG2-CE1 4.42Å; V352-F370 HydrophobicContact CG2-CG 4.34Å
353	M	98.9	Very high	98.8	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	125	173	-173.9	-158.1	78.7	0	0	110.7	P152 M155 V325 E327 W339 H341 F355 F364 F365	P152-M353 HydrophobicContact CG-CE 3.61Å; P152-M353 HydrophobicContact CG-SD 3.66Å; M155-M353 HydrophobicContact CE-CB 3.98Å; M155-M353 HydrophobicContact SD-CB 3.95Å; V325-M353 HydrophobicContact CB-CG 4.33Å; V325-M353 VanDerWaalsContact O-CA 3.26Å; V325-M353 WeakPolarHBondContact O-CA 3.07Å; V325-M353 WeakPolarHBondContact O-CG 3.39Å; E327-M353 HydrophobicContact CB-CG 4.09Å; E327-M353 HydrophobicContact CB-SD 4.1Å; E327-M353 HydrophobicContact CG-CG 3.87Å; E327-M353 HydrophobicContact CG-SD 3.85Å; W339-M353 HydrophobicContact CB-SD 4.32Å; W339-M353 HydrophobicContact CD2-CE 3.51Å; W339-M353 HydrophobicContact CD2-SD 3.76Å; W339-M353 HydrophobicContact CE3-CE 3.49Å; W339-M353 VanDerWaalsContact CE3-CE 3.49Å; W339-M353 HydrophobicContact CE3-SD 3.86Å; W339-M353 HydrophobicContact CG-CE 4.27Å; W339-M353 HydrophobicContact CG-SD 3.99Å; W339-M353 HydrophobicContact CH2-CE 3.6Å; W339-M353 HydrophobicContact CZ2-CE 3.61Å; W339-M353 HydrophobicContact CZ3-CE 3.54Å; W339-M353 HydrophobicContact CZ3-SD 4.46Å; H341-M353 PolarHBondContact CE1-SD 3.43Å; M353-F355 HydrophobicContact CE-CD1 4.15Å; M353-F364 CarbonylContact O-C 3.42Å; M353-F364 WeakPolarHBondContact O-CA 3.3Å; M353-F364 WeakPolarHBondContact O-CB 3.17Å; M353-F365 HydrophobicContact CE-CD2 3.79Å; M353-F365 HydrophobicContact CE-CE2 4.38Å; M353-F365 PolarHBondContact N-O 2.97Å; M353-F365 PolarHBondContact O-N 3.49Å
354	T	99	Very high	98.8	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	151	179.5	51.2	0	0	0	0	111.6	N168 A171 L324 V325 D326 E327 V328 G363 F364	N168-T354 VanDerWaalsContact OD1-CB 3.25Å; N168-T354 WeakPolarHBondContact OD1-CB 2.91Å; N168-T354 VanDerWaalsContact OD1-CG2 3.24Å; N168-T354 WeakPolarHBondContact OD1-CG2 3.21Å; N168-T354 PolarHBondContact OD1-OG1 2.96Å; A171-T354 HydrophobicContact CB-CG2 3.66Å; L324-T354 HydrophobicContact CD1-CG2 3.94Å; V325-T354 PolarHBondContact O-N 2.93Å; D326-T354 WeakPolarHBondContact CA-OG1 3.39Å; E327-T354 CarbonylContact C-O 3.51Å; E327-T354 WeakPolarHBondContact CA-O 3.46Å; E327-T354 WeakPolarHBondContact CB-O 3.42Å; E327-T354 PolarHBondContact N-O 2.83Å; V328-T354 PolarHBondContact N-O 3.29Å; T354-G363 WeakPolarHBondContact CA-O 3.34Å; T354-F364 HydrophobicContact CG2-CB 3.68Å
355	F	98.9	Very high	98.8	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	158	180	59.7	-95.5	0	0	0	111.4	L147 L158 S167 W339 M353 M359 T361 G362 G363 F365	L147-F355 HydrophobicContact CD1-CE2 4.08Å; L147-F355 HydrophobicContact CD1-CZ 3.91Å; L147-F355 HydrophobicContact CD2-CD2 4.19Å; L147-F355 HydrophobicContact CD2-CE1 4.4Å; L147-F355 HydrophobicContact CD2-CE2 3.45Å; L147-F355 VanDerWaalsContact CD2-CE2 3.45Å; L147-F355 HydrophobicContact CD2-CZ 3.58Å; L147-F355 HydrophobicContact CG-CE2 4.44Å; L147-F355 HydrophobicContact CG-CZ 4.35Å; L158-F355 HydrophobicContact CD1-CE1 3.97Å; L158-F355 HydrophobicContact CD1-CZ 3.77Å; S167-F355 PolarHBondContact OG-O 3.33Å; W339-F355 HydrophobicContact CH2-CB 3.83Å; W339-F355 HydrophobicContact CH2-CD1 4.16Å; W339-F355 HydrophobicContact CH2-CG 4.01Å; W339-F355 HydrophobicContact CZ3-CB 3.75Å; W339-F355 HydrophobicContact CZ3-CG 4.43Å; M353-F355 HydrophobicContact CE-CD1 4.15Å; F355-M359 HydrophobicContact CB-CG 4.03Å; F355-M359 HydrophobicContact CD2-CB 3.78Å; F355-M359 HydrophobicContact CD2-CG 3.88Å; F355-M359 HydrophobicContact CE2-CB 4.48Å; F355-M359 HydrophobicContact CG-CG 4.27Å; F355-T361 HydrophobicContact CE2-CG2 4.38Å; F355-G362 VanDerWaalsContact O-CA 3.28Å; F355-G362 WeakPolarHBondContact O-CA 3.44Å; F355-G363 VanDerWaalsContact CE1-C 3.45Å; F355-G363 PolarHBondContact N-O 2.87Å; F355-G363 PolarHBondContact O-N 3.28Å; F355-G363 VanDerWaalsContact O-N 3.14Å; F355-F365 AromaticContact CD1-CD2 3.78Å; F355-F365 HydrophobicContact CD1-CD2 3.78Å; F355-F365 AromaticContact CD1-CE2 3.83Å; F355-F365 HydrophobicContact CD1-CE2 3.83Å; F355-F365 AromaticContact CE1-CD2 3.43Å; F355-F365 HydrophobicContact CE1-CD2 3.43Å; F355-F365 VanDerWaalsContact CE1-CD2 3.43Å; F355-F365 AromaticContact CE1-CE2 3.36Å; F355-F365 HydrophobicContact CE1-CE2 3.36Å; F355-F365 HydrophobicContact CE1-CG 4.4Å; F355-F365 HydrophobicContact CE1-CZ 4.29Å; F355-F365 HydrophobicContact CZ-CE2 4.1Å
356	S	98.9	Very high	98.8	Very high	15 Å²	15	16.2 Å²	16.2	11%	0.105	8%	0.084	C	C	.	.			trans	-166	-137.6	170.9	-170.6	0	0	0	0	109.2	G164 K358 M359 T361	G164-S356 VanDerWaalsContact N-CB 3.34Å; G164-S356 PolarHBondContact N-OG 3.3Å; S356-K358 PolarHBondContact O-N 2.99Å; S356-M359 VanDerWaalsContact O-CB 3.26Å; S356-M359 WeakPolarHBondContact O-CB 3.5Å; S356-M359 WeakPolarHBondContact O-CG 3.39Å; S356-M359 PolarHBondContact O-N 3.29Å; S356-T361 WeakPolarHBondContact CA-O 3.38Å
357	K	98.8	Very high	98.9	Very high	46 Å²	46	15.8 Å²	15.8	20%	0.2	8%	0.081	C	C	.	.	G	3₁₀ helix	trans	45	-109	174.3	-67.2	-168.6	170.3	80	0	113	I100 V328 Q329 M359 M360	I100-K357 VanDerWaalsContact O-CD 3.26Å; I100-K357 WeakPolarHBondContact O-CD 3.45Å; I100-K357 WeakPolarHBondContact O-CE 3.49Å; V328-K357 HydrophobicContact CG1-CD 4.35Å; V328-K357 HydrophobicContact CG1-CG 4.03Å; V328-K357 VanDerWaalsContact O-CB 3.29Å; V328-K357 WeakPolarHBondContact O-CB 3.21Å; V328-K357 WeakPolarHBondContact O-CD 3.38Å; V328-K357 WeakPolarHBondContact O-CG 3.02Å; Q329-K357 HydrophobicContact CB-CD 4.27Å; Q329-K357 HydrophobicContact CG-CD 4.09Å; K357-M359 PolarHBondContact O-N 2.91Å; K357-M360 PolarHBondContact O-N 3.02Å
358	K	98.9	Very high	98.9	Very high	4 Å²	4	16.4 Å²	16.4	2%	0.017	8%	0.08	C	C	.	.	G	3₁₀ helix	trans	-54.2	-24.1	-179.8	-73.5	-172	162.3	60.2	0	113.4	S101 P104 S356 M360	S101-K358 VanDerWaalsContact O-CG 3.29Å; S101-K358 WeakPolarHBondContact O-CG 3.37Å; S101-K358 PolarHBondContact O-NZ 3.18Å; S101-K358 VanDerWaalsContact O-NZ 3.09Å; S101-K358 PolarHBondContact OG-NZ 2.78Å; P104-K358 HydrophobicContact CB-CB 4.19Å; P104-K358 HydrophobicContact CB-CG 4.4Å; S356-K358 PolarHBondContact O-N 2.99Å; K358-M360 PolarHBondContact O-N 2.86Å
359	M	98.9	Very high	98.9	Very high	3 Å²	3	20.1 Å²	20.1	2%	0.015	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-75.8	-1	177.8	-56.1	-51.5	-64.5	0	0	113.5	L147 F338 W339 F355 S356 K357 T361 L392 I396	L147-M359 HydrophobicContact CD2-CE 3.73Å; F338-M359 HydrophobicContact CE1-CE 3.77Å; F338-M359 HydrophobicContact CE1-SD 3.8Å; F338-M359 HydrophobicContact CZ-CE 3.7Å; F338-M359 HydrophobicContact CZ-SD 3.79Å; W339-M359 HydrophobicContact CH2-CE 3.89Å; W339-M359 HydrophobicContact CH2-CG 4.17Å; W339-M359 HydrophobicContact CH2-SD 3.99Å; W339-M359 HydrophobicContact CZ2-CE 4.36Å; W339-M359 HydrophobicContact CZ3-CG 4.41Å; W339-M359 HydrophobicContact CZ3-SD 4.37Å; F355-M359 HydrophobicContact CB-CG 4.03Å; F355-M359 HydrophobicContact CD2-CB 3.78Å; F355-M359 HydrophobicContact CD2-CG 3.88Å; F355-M359 HydrophobicContact CE2-CB 4.48Å; F355-M359 HydrophobicContact CG-CG 4.27Å; S356-M359 VanDerWaalsContact O-CB 3.26Å; S356-M359 WeakPolarHBondContact O-CB 3.5Å; S356-M359 WeakPolarHBondContact O-CG 3.39Å; S356-M359 PolarHBondContact O-N 3.29Å; K357-M359 PolarHBondContact O-N 2.91Å; M359-T361 PolarHBondContact O-N 2.74Å; M359-L392 HydrophobicContact CE-CD1 3.94Å; M359-L392 HydrophobicContact CE-CD2 4.06Å; M359-L392 WeakPolarHBondContact O-CD1 3.34Å; M359-L392 VanDerWaalsContact O-CD2 3.3Å; M359-L392 WeakPolarHBondContact O-CD2 3.5Å; M359-I396 HydrophobicContact CE-CD1 4.28Å
360	M	98.6	Very high	98.9	Very high	54 Å²	54	20.2 Å²	20.2	27%	0.266	10%	0.096	S	C	.	.	S	Bend	trans	66.3	-42.8	179.2	-45.8	-59.4	-73	0	0	114.8	P104 K357 K358 K388 L391 L392	P104-M360 HydrophobicContact CG-SD 3.71Å; K357-M360 PolarHBondContact O-N 3.02Å; K358-M360 PolarHBondContact O-N 2.86Å; M360-K388 HydrophobicContact CB-CB 4.24Å; M360-L391 HydrophobicContact CE-CB 4.38Å; M360-L391 HydrophobicContact CE-CD1 4.15Å; M360-L392 HydrophobicContact CB-CB 4.35Å; M360-L392 HydrophobicContact CG-CB 4.22Å; M360-L392 HydrophobicContact CG-CD1 4.35Å
361	T	98.8	Very high	98.9	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.006	12%	0.124	C	C	.	.	S	Bend	trans	-107.2	163.1	171	-161.2	0	0	0	0	109.4	L147 M161 F355 S356 M359 L392	L147-T361 HydrophobicContact CD1-CG2 4.02Å; M161-T361 PolarHBondContact O-OG1 2.85Å; F355-T361 HydrophobicContact CE2-CG2 4.38Å; S356-T361 WeakPolarHBondContact CA-O 3.38Å; M359-T361 PolarHBondContact O-N 2.74Å; T361-L392 HydrophobicContact CG2-CD2 4.36Å
362	G	98.8	Very high	98.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	174.1	169.2	0	0	0	0	0	111.7	M161 F355	M161-G362 PolarHBondContact N-O 3.42Å; M161-G362 CarbonylContact O-C 3.38Å; M161-G362 VanDerWaalsContact O-C 3.23Å; M161-G362 WeakPolarHBondContact O-CA 3.38Å; M161-G362 PolarHBondContact O-N 3.17Å; F355-G362 VanDerWaalsContact O-CA 3.28Å; F355-G362 WeakPolarHBondContact O-CA 3.44Å
363	G	98.9	Very high	98.8	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	158.7	-173.8	172.4	0	0	0	0	0	111.9	I159 S167 T354 F355	I159-G363 CarbonylContact O-C 3.55Å; I159-G363 WeakPolarHBondContact O-CA 3.37Å; S167-G363 WeakPolarHBondContact CB-O 3.45Å; S167-G363 PolarHBondContact OG-N 2.92Å; T354-G363 WeakPolarHBondContact CA-O 3.34Å; F355-G363 VanDerWaalsContact CE1-C 3.45Å; F355-G363 PolarHBondContact N-O 2.87Å; F355-G363 PolarHBondContact O-N 3.28Å; F355-G363 VanDerWaalsContact O-N 3.14Å
364	F	98.9	Very high	98.7	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	138.1	172.4	55.9	-85	0	0	0	111.5	I159 M161 N170 A171 V352 M353 T354 H366 I378	I159-F364 HydrophobicContact CB-CE1 4Å; I159-F364 HydrophobicContact CB-CE2 4.15Å; I159-F364 HydrophobicContact CB-CZ 3.77Å; I159-F364 HydrophobicContact CD1-CE2 4.07Å; I159-F364 HydrophobicContact CD1-CZ 3.81Å; I159-F364 HydrophobicContact CG1-CE2 4.36Å; I159-F364 HydrophobicContact CG1-CZ 4.22Å; I159-F364 HydrophobicContact CG2-CE1 4.15Å; I159-F364 HydrophobicContact CG2-CZ 4.15Å; I159-F364 PolarHBondContact N-O 3.2Å; I159-F364 VanDerWaalsContact N-O 3.07Å; I159-F364 PolarHBondContact O-N 3.01Å; M161-F364 HydrophobicContact CE-CE1 4.23Å; M161-F364 HydrophobicContact CG-CE1 4.46Å; N170-F364 HydrophobicContact CB-CE1 3.69Å; N170-F364 HydrophobicContact CB-CZ 4.23Å; A171-F364 HydrophobicContact CB-CG 4.35Å; V352-F364 HydrophobicContact CG1-CB 4.09Å; V352-F364 HydrophobicContact CG1-CD2 3.95Å; V352-F364 HydrophobicContact CG1-CG 4.34Å; M353-F364 CarbonylContact O-C 3.42Å; M353-F364 WeakPolarHBondContact O-CA 3.3Å; M353-F364 WeakPolarHBondContact O-CB 3.17Å; T354-F364 HydrophobicContact CG2-CB 3.68Å; F364-H366 AromaticContact CD2-CD2 3.58Å; F364-H366 AromaticContact CE2-CD2 3.53Å; F364-I378 HydrophobicContact CZ-CG2 4.13Å
365	F	99	Very high	98.7	Very high	1 Å²	1	39.9 Å²	39.9	0%	0.004	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	149.4	163.5	-67.7	-84.1	0	0	0	109.2	L147 L148 A151 P152 M155 Q157 L158 W339 V352 M353 F355	L147-F365 HydrophobicContact CB-CZ 3.89Å; L147-F365 HydrophobicContact CD2-CZ 4.48Å; L147-F365 VanDerWaalsContact O-CZ 3.25Å; L147-F365 WeakPolarHBondContact O-CZ 3.25Å; L148-F365 HydrophobicContact CD2-CE1 4.37Å; A151-F365 HydrophobicContact CB-CD1 4.29Å; A151-F365 HydrophobicContact CB-CE1 3.97Å; P152-F365 HydrophobicContact CG-CB 4.27Å; P152-F365 HydrophobicContact CG-CD2 4.14Å; P152-F365 HydrophobicContact CG-CG 4.26Å; M155-F365 HydrophobicContact CB-CB 3.94Å; M155-F365 HydrophobicContact CG-CB 4.46Å; M155-F365 HydrophobicContact SD-CB 3.65Å; Q157-F365 VanDerWaalsContact O-CA 3.27Å; Q157-F365 WeakPolarHBondContact O-CA 3.18Å; L158-F365 HydrophobicContact CB-CD1 4.07Å; L158-F365 HydrophobicContact CB-CE1 4.09Å; L158-F365 HydrophobicContact CD1-CD1 4.08Å; L158-F365 HydrophobicContact CD1-CE1 3.9Å; L158-F365 HydrophobicContact CD1-CE2 4.35Å; L158-F365 HydrophobicContact CD1-CG 4.39Å; L158-F365 HydrophobicContact CD1-CZ 4.03Å; L158-F365 HydrophobicContact CD2-CE1 4.15Å; L158-F365 HydrophobicContact CD2-CZ 4.46Å; L158-F365 HydrophobicContact CG-CE1 4.26Å; W339-F365 HydrophobicContact CH2-CE2 4.46Å; W339-F365 AromaticContact CZ2-CE2 3.95Å; W339-F365 HydrophobicContact CZ2-CE2 3.95Å; V352-F365 CarbonylContact C-O 3.5Å; V352-F365 WeakPolarHBondContact CA-O 3.33Å; V352-F365 WeakPolarHBondContact CG1-O 3.27Å; M353-F365 HydrophobicContact CE-CD2 3.79Å; M353-F365 HydrophobicContact CE-CE2 4.38Å; M353-F365 PolarHBondContact N-O 2.97Å; M353-F365 PolarHBondContact O-N 3.49Å; F355-F365 AromaticContact CD1-CD2 3.78Å; F355-F365 HydrophobicContact CD1-CD2 3.78Å; F355-F365 AromaticContact CD1-CE2 3.83Å; F355-F365 HydrophobicContact CD1-CE2 3.83Å; F355-F365 AromaticContact CE1-CD2 3.43Å; F355-F365 HydrophobicContact CE1-CD2 3.43Å; F355-F365 VanDerWaalsContact CE1-CD2 3.43Å; F355-F365 AromaticContact CE1-CE2 3.36Å; F355-F365 HydrophobicContact CE1-CE2 3.36Å; F355-F365 HydrophobicContact CE1-CG 4.4Å; F355-F365 HydrophobicContact CE1-CZ 4.29Å; F355-F365 HydrophobicContact CZ-CE2 4.1Å
366	H	98.9	Very high	98.7	Very high	3 Å²	3	48 Å²	48	1%	0.014	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	162.8	173.7	60.1	93.8	0	0	0	112.3	M155 S156 Q157 D351 V352 F364 F370	M155-H366 CarbonylContact C-O 3.59Å; M155-H366 WeakPolarHBondContact CA-O 3.23Å; S156-H366 PolarHBondContact N-O 2.8Å; Q157-H366 WeakPolarHBondContact CB-CE1 3.39Å; Q157-H366 WeakPolarHBondContact CB-ND1 3.42Å; Q157-H366 WeakPolarHBondContact CB-NE2 3.37Å; Q157-H366 WeakPolarHBondContact CB-O 3.17Å; Q157-H366 PolarHBondContact N-O 2.76Å; Q157-H366 PolarHBondContact O-N 2.86Å; D351-H366 VanDerWaalsContact O-CA 3.29Å; D351-H366 WeakPolarHBondContact O-CA 3.09Å; V352-H366 HydrophobicContact CB-CB 4.33Å; V352-H366 HydrophobicContact CG1-CB 4.23Å; V352-H366 HydrophobicContact CG2-CB 3.9Å; F364-H366 AromaticContact CD2-CD2 3.58Å; F364-H366 AromaticContact CE2-CD2 3.53Å; H366-F370 HydrophobicContact CB-CB 4.23Å
367	K	98.9	Very high	98.6	Very high	30 Å²	30	51.2 Å²	51.2	13%	0.13	24%	0.243	C	C	.	.			trans	-64.3	156.4	169.9	-70.1	179.9	176.4	174.1	0	111.8	R313 D348 A350 D351 E369 F370	R313-K367 VanDerWaalsContact NH2-NZ 3.16Å; D348-K367 WeakPolarHBondContact OD1-CE 3.26Å; D348-K367 IonicContact OD1-NZ 3.87Å; D348-K367 PolarHBondContact OD1-NZ 2.93Å; D348-K367 IonicContact OD2-NZ 2.74Å; A350-K367 WeakPolarHBondContact O-CE 3.31Å; D351-K367 HydrophobicContact CB-CD 4.48Å; D351-K367 PolarHBondContact O-N 2.85Å; D351-K367 WeakPolarHBondContact OD1-CE 3.43Å; D351-K367 IonicContact OD1-NZ 3.51Å; D351-K367 PolarHBondContact OD1-NZ 3.36Å; K367-E369 VanDerWaalsContact C-N 3.32Å; K367-E369 HydrophobicContact CB-CG 4.2Å; K367-E369 PolarHBondContact O-N 2.99Å; K367-F370 HydrophobicContact CB-CD2 4.07Å; K367-F370 PolarHBondContact O-N 2.9Å; K367-F370 VanDerWaalsContact O-N 3.14Å
368	E	98.9	Very high	98.6	Very high	134 Å²	134	49.8 Å²	49.8	63%	0.626	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-60.3	-38.2	179.2	-172.7	171.5	-177.7	0	0	113.2	Q157 F370 R371	Q157-E368 HydrophobicContact CG-CB 4.47Å; E368-F370 PolarHBondContact O-N 3.03Å; E368-R371 WeakPolarHBondContact O-CB 3.21Å; E368-R371 PolarHBondContact O-N 2.88Å
369	E	98.7	Very high	98.6	Very high	119 Å²	119	52.6 Å²	52.6	56%	0.556	25%	0.25	S	C	*	.	G	3₁₀ helix	trans	-61.6	-17.8	178.4	69.2	177.2	107.7	0	0	113.8	W178 K367	W178-E369 PolarHBondContact NE1-OE2 3.4Å; K367-E369 VanDerWaalsContact C-N 3.32Å; K367-E369 HydrophobicContact CB-CG 4.2Å; K367-E369 PolarHBondContact O-N 2.99Å
370	F	98.9	Very high	98.6	Very high	4 Å²	4	54.9 Å²	54.9	2%	0.018	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-90.5	-1.7	175.8	-75	-97.9	0	0	0	113.2	T174 I175 W178 A322 D351 V352 H366 K367 E368 P372	T174-F370 HydrophobicContact CG2-CB 3.94Å; T174-F370 HydrophobicContact CG2-CD1 4.25Å; T174-F370 VanDerWaalsContact CG2-O 3.26Å; T174-F370 WeakPolarHBondContact CG2-O 3.44Å; I175-F370 HydrophobicContact CG1-CD1 4.47Å; I175-F370 HydrophobicContact CG1-CE1 4.15Å; W178-F370 HydrophobicContact CB-CD1 3.67Å; W178-F370 HydrophobicContact CB-CE1 3.84Å; W178-F370 HydrophobicContact CB-CG 4.4Å; W178-F370 AromaticContact CD1-CE1 3.97Å; W178-F370 AromaticContact CD1-CZ 4Å; W178-F370 HydrophobicContact CD2-CD1 4.09Å; W178-F370 AromaticContact CD2-CE1 3.37Å; W178-F370 HydrophobicContact CD2-CE1 3.37Å; W178-F370 HydrophobicContact CD2-CE2 4.3Å; W178-F370 AromaticContact CD2-CZ 3.49Å; W178-F370 HydrophobicContact CD2-CZ 3.49Å; W178-F370 VanDerWaalsContact CD2-CZ 3.49Å; W178-F370 AromaticContact CE2-CE1 3.81Å; W178-F370 AromaticContact CE2-CE2 3.89Å; W178-F370 AromaticContact CE2-CZ 3.39Å; W178-F370 AromaticContact CE3-CE1 3.63Å; W178-F370 HydrophobicContact CE3-CE1 3.63Å; W178-F370 AromaticContact CE3-CZ 3.88Å; W178-F370 HydrophobicContact CE3-CZ 3.88Å; W178-F370 AromaticContact CG-CD1 3.68Å; W178-F370 HydrophobicContact CG-CD1 3.68Å; W178-F370 AromaticContact CG-CE1 3.48Å; W178-F370 HydrophobicContact CG-CE1 3.48Å; W178-F370 VanDerWaalsContact CG-CE1 3.48Å; W178-F370 HydrophobicContact CG-CE2 4.4Å; W178-F370 HydrophobicContact CG-CG 4.25Å; W178-F370 AromaticContact CG-CZ 3.88Å; W178-F370 HydrophobicContact CG-CZ 3.88Å; W178-F370 AromaticContact CH2-CZ 3.96Å; W178-F370 HydrophobicContact CH2-CZ 3.96Å; W178-F370 HydrophobicContact CZ2-CE1 4.38Å; W178-F370 HydrophobicContact CZ2-CE2 4.24Å; W178-F370 AromaticContact CZ2-CZ 3.66Å; W178-F370 HydrophobicContact CZ2-CZ 3.66Å; W178-F370 HydrophobicContact CZ3-CE1 4.2Å; W178-F370 HydrophobicContact CZ3-CZ 4.11Å; W178-F370 AromaticContact NE1-CE2 3.78Å; W178-F370 AromaticContact NE1-CZ 3.72Å; A322-F370 HydrophobicContact CB-CE1 3.52Å; A322-F370 HydrophobicContact CB-CZ 3.61Å; D351-F370 HydrophobicContact CB-CD2 4.28Å; D351-F370 HydrophobicContact CB-CE1 4.49Å; D351-F370 HydrophobicContact CB-CE2 3.55Å; D351-F370 HydrophobicContact CB-CZ 3.66Å; V352-F370 HydrophobicContact CG2-CD1 4.09Å; V352-F370 HydrophobicContact CG2-CE1 4.42Å; V352-F370 HydrophobicContact CG2-CG 4.34Å; H366-F370 HydrophobicContact CB-CB 4.23Å; K367-F370 HydrophobicContact CB-CD2 4.07Å; K367-F370 PolarHBondContact O-N 2.9Å; K367-F370 VanDerWaalsContact O-N 3.14Å; E368-F370 PolarHBondContact O-N 3.03Å; F370-P372 WeakPolarHBondContact O-CD 3.16Å
371	R	98.8	Very high	98.6	Very high	161 Å²	161	56.9 Å²	56.9	61%	0.608	28%	0.277	S	S	*	.	S	Bend	trans	-57.6	125	178.4	-176.8	-180	176.2	112.2	-5.4	110.2	E368 N373	E368-R371 WeakPolarHBondContact O-CB 3.21Å; E368-R371 PolarHBondContact O-N 2.88Å; R371-N373 PolarHBondContact O-N 3.48Å
372	P	98.4	Very high	98.6	Very high	30 Å²	30	62.7 Å²	62.7	20%	0.195	30%	0.299	C	S	.	.			trans	-51.2	128.5	173	-31.8	38.7	0	0	0	112.1	M177 F370 A374 I378	M177-P372 HydrophobicContact CE-CB 3.7Å; M177-P372 HydrophobicContact CE-CG 4.03Å; F370-P372 WeakPolarHBondContact O-CD 3.16Å; P372-A374 PolarHBondContact O-N 2.89Å; P372-I378 HydrophobicContact CG-CB 4.3Å; P372-I378 HydrophobicContact CG-CG1 3.76Å
373	N	97.2	Very high	98.6	Very high	94 Å²	94	63.5 Å²	63.5	50%	0.503	30%	0.303	S	S	.	.	S	Bend	trans	-74.1	-10.8	-178	69	-24.1	0	0	0	114.4	R371 R377	R371-N373 PolarHBondContact O-N 3.48Å; N373-R377 PolarHBondContact OD1-NH1 3.45Å
374	A	97.8	Very high	98.6	Very high	37 Å²	37	63.5 Å²	63.5	31%	0.306	30%	0.304	S	S	.	.	S	Bend	trans	-146.8	148.7	177.6	0	0	0	0	0	110	P372 R377	P372-A374 PolarHBondContact O-N 2.89Å; A374-R377 HydrophobicContact CB-CG 4.48Å
375	P	98.4	Very high	98.6	Very high	102 Å²	102	64.6 Å²	64.6	66%	0.662	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	173.7	174.2	30.5	-36.1	0	0	0	111.5	R377	P375-R377 PolarHBondContact O-N 2.87Å
376	Y	98.4	Very high	98.6	Very high	170 Å²	170	65 Å²	65	67%	0.667	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.4	-2.8	176.4	-54.4	-70.7	0	0	0	117.1	I133 F379	I133-Y376 HydrophobicContact CG2-CE1 4.47Å; Y376-F379 HydrophobicContact CD1-CD2 4.26Å; Y376-F379 HydrophobicContact CD1-CE2 4.37Å; Y376-F379 HydrophobicContact CD1-CG 4.39Å; Y376-F379 HydrophobicContact CE1-CE2 4.34Å
377	R	98.4	Very high	98.6	Very high	82 Å²	82	65 Å²	65	31%	0.309	31%	0.313	S	S	.	.	S	Bend	trans	-78.6	-46.8	174.3	-56.1	-170.2	72	-170.4	4.9	112.3	M177 N373 A374 P375	M177-R377 HydrophobicContact CE-CB 3.67Å; M177-R377 HydrophobicContact CE-CG 4.31Å; M177-R377 HydrophobicContact SD-CB 3.84Å; N373-R377 PolarHBondContact OD1-NH1 3.45Å; A374-R377 HydrophobicContact CB-CG 4.48Å; P375-R377 PolarHBondContact O-N 2.87Å
378	I	98.8	Very high	98.6	Very high	16 Å²	16	66.9 Å²	66.9	8%	0.082	32%	0.321	C	S	.	.	S	Bend	trans	-107.2	98.2	170.9	-56.7	-58.3	0	0	0	107.4	I159 M161 N170 K173 M177 F364 P372	I159-I378 HydrophobicContact CD1-CB 4.4Å; I159-I378 HydrophobicContact CD1-CG2 3.95Å; I159-I378 HydrophobicContact CG2-CG2 4.21Å; M161-I378 HydrophobicContact CE-CG2 3.94Å; N170-I378 HydrophobicContact CB-CG2 4.06Å; K173-I378 HydrophobicContact CB-CD1 3.66Å; M177-I378 HydrophobicContact CE-CG1 4.33Å; M177-I378 HydrophobicContact SD-CD1 3.96Å; M177-I378 HydrophobicContact SD-CG1 4.24Å; F364-I378 HydrophobicContact CZ-CG2 4.13Å; P372-I378 HydrophobicContact CG-CB 4.3Å; P372-I378 HydrophobicContact CG-CG1 3.76Å
379	F	98.7	Very high	98.6	Very high	63 Å²	63	60.6 Å²	60.6	28%	0.276	29%	0.291	S	S	.	.			trans	-159.2	154.9	-172	-161.8	-91.6	0	0	0	110.3	I133 Y376 L383	I133-F379 HydrophobicContact CG2-CE2 4.27Å; I133-F379 HydrophobicContact CG2-CZ 4.01Å; Y376-F379 HydrophobicContact CD1-CD2 4.26Å; Y376-F379 HydrophobicContact CD1-CE2 4.37Å; Y376-F379 HydrophobicContact CD1-CG 4.39Å; Y376-F379 HydrophobicContact CE1-CE2 4.34Å; F379-L383 HydrophobicContact CD2-CD1 4.18Å; F379-L383 HydrophobicContact CE2-CD1 4.38Å
380	N	98.8	Very high	98.6	Very high	51 Å²	51	55.1 Å²	55.1	27%	0.273	27%	0.266	S	S	.	.			trans	-161.3	176.1	159.4	57.3	70.6	0	0	0	107.7	M161 W382 L383	M161-N380 PolarHBondContact SD-ND2 3.4Å; N380-W382 VanDerWaalsContact C-N 3.3Å; N380-W382 PolarHBondContact O-N 3.32Å; N380-W382 PolarHBondContact OD1-N 2.99Å; N380-L383 PolarHBondContact OD1-N 3.16Å
381	T	98.7	Very high	98.6	Very high	96 Å²	96	56 Å²	56	59%	0.589	27%	0.271	S	S	*	.	S	Bend	trans	-52.5	-44.9	-174.4	-48.1	0	0	0	0	113.2	A130	A130-T381 WeakPolarHBondContact CA-O 3.42Å; A130-T381 WeakPolarHBondContact CB-O 3.29Å
382	W	98.8	Very high	98.6	Very high	124 Å²	124	48.3 Å²	48.3	47%	0.47	24%	0.242	S	C	.	.			trans	-110.8	-27.2	-167.6	-64.5	-41.6	0	0	0	115.6	R128 L131 N380 G384	R128-W382 VanDerWaalsContact CZ-CE3 3.44Å; R128-W382 VanDerWaalsContact NH1-CE3 3.34Å; L131-W382 WeakPolarHBondContact CB-O 3.5Å; L131-W382 WeakPolarHBondContact CD1-O 3.46Å; N380-W382 VanDerWaalsContact C-N 3.3Å; N380-W382 PolarHBondContact O-N 3.32Å; N380-W382 PolarHBondContact OD1-N 2.99Å; W382-G384 WeakPolarHBondContact CB-O 3.23Å; W382-G384 PolarHBondContact O-N 3.01Å; W382-G384 VanDerWaalsContact O-N 3.1Å
383	L	98.8	Very high	98.6	Very high	16 Å²	16	47.3 Å²	47.3	8%	0.084	24%	0.236	C	C	.	.	S	Bend	trans	43.7	44.4	-176.5	-69.5	168.5	0	0	0	113	L131 I159 T160 M161 F379 N380	L131-L383 HydrophobicContact CB-CB 4.18Å; I159-L383 HydrophobicContact CG2-CD2 4.34Å; T160-L383 CarbonylContact C-O 3.55Å; T160-L383 WeakPolarHBondContact CB-O 3.26Å; T160-L383 CarbonylContact O-C 3.55Å; T160-L383 PolarHBondContact OG1-O 3.5Å; M161-L383 HydrophobicContact CE-CD2 3.45Å; M161-L383 VanDerWaalsContact CE-CD2 3.45Å; M161-L383 HydrophobicContact SD-CD2 4.02Å; F379-L383 HydrophobicContact CD2-CD1 4.18Å; F379-L383 HydrophobicContact CE2-CD1 4.38Å; N380-L383 PolarHBondContact OD1-N 3.16Å
384	G	98.6	Very high	98.7	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.01	22%	0.221	C	C	.	.	S	Bend	trans	101.2	-146.5	-172	0	0	0	0	0	112.8	R128 M161 W382	R128-G384 PolarHBondContact NH2-O 3.27Å; M161-G384 WeakPolarHBondContact O-CA 3.39Å; W382-G384 WeakPolarHBondContact CB-O 3.23Å; W382-G384 PolarHBondContact O-N 3.01Å; W382-G384 VanDerWaalsContact O-N 3.1Å
385	D	98.8	Very high	98.7	Very high	22 Å²	22	43 Å²	43	12%	0.118	21%	0.207	C	C	.	.			trans	-162.7	120.2	-175.7	179.2	-11.4	0	0	0	109.5	S387 K388 N389	D385-S387 PolarHBondContact O-N 2.86Å; D385-S387 WeakPolarHBondContact OD1-CB 3.45Å; D385-S387 PolarHBondContact OD1-N 3.06Å; D385-S387 PolarHBondContact OD1-OG 2.79Å; D385-S387 PolarHBondContact OD2-OG 3.17Å; D385-K388 HydrophobicContact CB-CB 4.49Å; D385-K388 HydrophobicContact CB-CG 3.9Å; D385-K388 WeakPolarHBondContact O-CB 3.49Å; D385-K388 PolarHBondContact O-N 3.05Å; D385-K388 IonicContact OD2-NZ 2.79Å; D385-K388 PolarHBondContact OD2-NZ 2.86Å; D385-K388 VanDerWaalsContact OD2-NZ 3.14Å; D385-N389 PolarHBondContact O-N 3.19Å
386	P	98.6	Very high	98.7	Very high	9 Å²	9	38.3 Å²	38.3	6%	0.058	18%	0.176	C	C	.	.	H	α-helix	trans	-55	-31.8	177.8	-26.4	34.9	0	0	0	114.4	P129 L131 P136 K388 N389 L390	P129-P386 HydrophobicContact CG-CG 3.63Å; L131-P386 HydrophobicContact CD1-CG 4.39Å; L131-P386 HydrophobicContact CD2-CG 3.97Å; L131-P386 HydrophobicContact CG-CG 4.39Å; P136-P386 HydrophobicContact CG-CB 4.41Å; P136-P386 HydrophobicContact CG-CG 4.16Å; P386-K388 PolarHBondContact O-N 2.82Å; P386-N389 PolarHBondContact O-N 3.41Å; P386-N389 VanDerWaalsContact O-N 3.15Å; P386-L390 PolarHBondContact O-N 3.35Å
387	S	98.7	Very high	98.7	Very high	4 Å²	4	33.4 Å²	33.4	3%	0.028	16%	0.161	C	C	.	.	H	α-helix	trans	-62.3	-33.1	177.5	70.9	0	0	0	0	111.8	D385 L390 L391	D385-S387 PolarHBondContact O-N 2.86Å; D385-S387 WeakPolarHBondContact OD1-CB 3.45Å; D385-S387 PolarHBondContact OD1-N 3.06Å; D385-S387 PolarHBondContact OD1-OG 2.79Å; D385-S387 PolarHBondContact OD2-OG 3.17Å; S387-L390 WeakPolarHBondContact O-CB 3.28Å; S387-L390 PolarHBondContact O-N 2.57Å; S387-L391 WeakPolarHBondContact O-CG 3.47Å; S387-L391 PolarHBondContact O-N 2.76Å
388	K	98.8	Very high	98.8	Very high	70 Å²	70	29.5 Å²	29.5	30%	0.304	15%	0.146	S	C	.	.	H	α-helix	trans	-74.3	-35.2	176.7	-56.2	-62.1	171.8	-69.9	0	111.4	M360 D385 P386 L390 L391 L392	M360-K388 HydrophobicContact CB-CB 4.24Å; D385-K388 HydrophobicContact CB-CB 4.49Å; D385-K388 HydrophobicContact CB-CG 3.9Å; D385-K388 WeakPolarHBondContact O-CB 3.49Å; D385-K388 PolarHBondContact O-N 3.05Å; D385-K388 IonicContact OD2-NZ 2.79Å; D385-K388 PolarHBondContact OD2-NZ 2.86Å; D385-K388 VanDerWaalsContact OD2-NZ 3.14Å; P386-K388 PolarHBondContact O-N 2.82Å; K388-L390 VanDerWaalsContact C-N 3.33Å; K388-L391 PolarHBondContact O-N 3.34Å; K388-L392 VanDerWaalsContact O-CB 3.28Å; K388-L392 WeakPolarHBondContact O-CB 3.47Å; K388-L392 PolarHBondContact O-N 2.71Å
389	N	98.6	Very high	98.8	Very high	1 Å²	1	29 Å²	29	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-67.1	-36.2	174.8	-60.6	1.1	0	0	0	111.4	K142 D385 P386 L392 A393	K142-N389 HydrophobicContact CG-CB 3.92Å; D385-N389 PolarHBondContact O-N 3.19Å; P386-N389 PolarHBondContact O-N 3.41Å; P386-N389 VanDerWaalsContact O-N 3.15Å; N389-L392 PolarHBondContact O-N 2.97Å; N389-A393 WeakPolarHBondContact O-CB 3.29Å; N389-A393 PolarHBondContact O-N 2.94Å
390	L	98.7	Very high	98.7	Very high	5 Å²	5	31.4 Å²	31.4	3%	0.026	15%	0.154	C	C	.	.	H	α-helix	trans	-58.2	-52.3	172.5	177.3	66.1	0	0	0	111.4	L115 N121 M124 F125 P386 S387 K388 A393	L115-L390 HydrophobicContact CD1-CG 4.42Å; L115-L390 HydrophobicContact CD2-CD1 4.33Å; N121-L390 HydrophobicContact CB-CD2 3.83Å; M124-L390 HydrophobicContact SD-CB 3.85Å; M124-L390 HydrophobicContact SD-CD1 4.21Å; M124-L390 HydrophobicContact SD-CD2 3.79Å; M124-L390 HydrophobicContact SD-CG 4.16Å; F125-L390 HydrophobicContact CE2-CD2 4.04Å; F125-L390 HydrophobicContact CZ-CD2 4Å; P386-L390 PolarHBondContact O-N 3.35Å; S387-L390 WeakPolarHBondContact O-CB 3.28Å; S387-L390 PolarHBondContact O-N 2.57Å; K388-L390 VanDerWaalsContact C-N 3.33Å; L390-A393 PolarHBondContact O-N 2.93Å
391	L	98.8	Very high	98.7	Very high	21 Å²	21	35.9 Å²	35.9	11%	0.11	17%	0.167	C	C	.	.	H	α-helix	trans	-63.1	-45.4	178.1	-62.8	175.2	0	0	0	111.3	L112 L115 M360 S387 K388 A393 E394 V395	L112-L391 HydrophobicContact CB-CD2 4.48Å; L112-L391 HydrophobicContact CD2-CD2 4.25Å; L115-L391 HydrophobicContact CD1-CD2 4.36Å; M360-L391 HydrophobicContact CE-CB 4.38Å; M360-L391 HydrophobicContact CE-CD1 4.15Å; S387-L391 WeakPolarHBondContact O-CG 3.47Å; S387-L391 PolarHBondContact O-N 2.76Å; K388-L391 PolarHBondContact O-N 3.34Å; L391-A393 VanDerWaalsContact C-N 3.31Å; L391-A393 PolarHBondContact O-N 3.28Å; L391-E394 PolarHBondContact O-N 2.78Å; L391-V395 WeakPolarHBondContact O-CG2 3.22Å; L391-V395 PolarHBondContact O-N 3.28Å
392	L	98.9	Very high	98.7	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-60.6	-38.6	-178.5	178.7	62.9	0	0	0	112.6	L147 M359 M360 T361 K388 N389 E394 V395 I396	L147-L392 HydrophobicContact CD1-CD2 4.48Å; L147-L392 HydrophobicContact CD2-CD2 3.55Å; L147-L392 HydrophobicContact CG-CD2 3.68Å; M359-L392 HydrophobicContact CE-CD1 3.94Å; M359-L392 HydrophobicContact CE-CD2 4.06Å; M359-L392 WeakPolarHBondContact O-CD1 3.34Å; M359-L392 VanDerWaalsContact O-CD2 3.3Å; M359-L392 WeakPolarHBondContact O-CD2 3.5Å; M360-L392 HydrophobicContact CB-CB 4.35Å; M360-L392 HydrophobicContact CG-CB 4.22Å; M360-L392 HydrophobicContact CG-CD1 4.35Å; T361-L392 HydrophobicContact CG2-CD2 4.36Å; K388-L392 VanDerWaalsContact O-CB 3.28Å; K388-L392 WeakPolarHBondContact O-CB 3.47Å; K388-L392 PolarHBondContact O-N 2.71Å; N389-L392 PolarHBondContact O-N 2.97Å; L392-E394 VanDerWaalsContact C-N 3.28Å; L392-E394 PolarHBondContact O-N 2.97Å; L392-V395 HydrophobicContact CD1-CB 4.45Å; L392-V395 HydrophobicContact CD1-CG1 4.48Å; L392-V395 PolarHBondContact O-N 3.48Å; L392-I396 HydrophobicContact CD1-CD1 3.87Å; L392-I396 HydrophobicContact CD1-CG1 3.94Å; L392-I396 HydrophobicContact CD2-CD1 4.23Å; L392-I396 HydrophobicContact CG-CD1 3.84Å; L392-I396 HydrophobicContact CG-CG1 4.3Å; L392-I396 WeakPolarHBondContact O-CG1 3.47Å; L392-I396 PolarHBondContact O-N 2.76Å
393	A	98.9	Very high	98.6	Very high	8 Å²	8	32.6 Å²	32.6	7%	0.066	15%	0.153	C	C	.	.	H	α-helix	trans	-58.5	-43	177.5	0	0	0	0	0	111.5	K142 Q145 N389 L390 L391 N397	K142-A393 HydrophobicContact CD-CB 3.57Å; Q145-A393 HydrophobicContact CB-CB 4.15Å; N389-A393 WeakPolarHBondContact O-CB 3.29Å; N389-A393 PolarHBondContact O-N 2.94Å; L390-A393 PolarHBondContact O-N 2.93Å; L391-A393 VanDerWaalsContact C-N 3.31Å; L391-A393 PolarHBondContact O-N 3.28Å; A393-N397 WeakPolarHBondContact O-CB 3.42Å; A393-N397 PolarHBondContact O-N 3.21Å
394	E	98.8	Very high	98.6	Very high	41 Å²	41	31.9 Å²	31.9	19%	0.192	15%	0.149	C	C	.	.	H	α-helix	trans	-72.7	-37.5	175.6	-172.2	60.2	-155.4	0	0	111.9	A111 L112 L115 L391 L392 I396 N397 I398 R401	A111-E394 HydrophobicContact CB-CG 3.85Å; L112-E394 HydrophobicContact CD2-CB 4.14Å; L112-E394 HydrophobicContact CD2-CG 4.24Å; L115-E394 HydrophobicContact CD1-CB 3.44Å; L115-E394 VanDerWaalsContact CD1-CB 3.44Å; L115-E394 HydrophobicContact CD1-CG 3.99Å; L115-E394 HydrophobicContact CG-CB 4.31Å; L115-E394 HydrophobicContact CG-CG 4.41Å; L391-E394 PolarHBondContact O-N 2.78Å; L392-E394 VanDerWaalsContact C-N 3.28Å; L392-E394 PolarHBondContact O-N 2.97Å; E394-I396 VanDerWaalsContact C-N 3.33Å; E394-I396 PolarHBondContact O-N 3.02Å; E394-N397 WeakPolarHBondContact O-CB 3.25Å; E394-N397 PolarHBondContact O-N 2.71Å; E394-N397 PolarHBondContact OE1-ND2 3.48Å; E394-N397 PolarHBondContact OE2-ND2 3.41Å; E394-I398 HydrophobicContact CG-CG1 4.47Å; E394-I398 VanDerWaalsContact O-CG1 3.29Å; E394-I398 WeakPolarHBondContact O-CG1 3.09Å; E394-I398 PolarHBondContact O-N 2.9Å; E394-R401 IonicContact OE1-NH1 2.8Å
395	V	98.9	Very high	98.6	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.006	16%	0.159	C	C	.	.	H	α-helix	trans	-55.4	-48.1	172.5	168.3	0	0	0	0	111.3	P104 I105 L112 L391 L392 N397 I398 I399	P104-V395 HydrophobicContact CB-CG1 3.65Å; P104-V395 HydrophobicContact CG-CB 4.49Å; P104-V395 HydrophobicContact CG-CG1 3.73Å; P104-V395 HydrophobicContact CG-CG2 3.86Å; I105-V395 HydrophobicContact CD1-CB 4.49Å; I105-V395 HydrophobicContact CD1-CG2 3.92Å; I105-V395 HydrophobicContact CG1-CG2 4.17Å; I105-V395 HydrophobicContact CG2-CG1 4.22Å; L112-V395 HydrophobicContact CD1-CG2 4.31Å; L112-V395 HydrophobicContact CD2-CG2 4.11Å; L391-V395 WeakPolarHBondContact O-CG2 3.22Å; L391-V395 PolarHBondContact O-N 3.28Å; L392-V395 HydrophobicContact CD1-CB 4.45Å; L392-V395 HydrophobicContact CD1-CG1 4.48Å; L392-V395 PolarHBondContact O-N 3.48Å; V395-N397 VanDerWaalsContact C-N 3.34Å; V395-N397 PolarHBondContact O-N 2.62Å; V395-I398 PolarHBondContact O-N 3.19Å; V395-I399 HydrophobicContact CG1-CD1 3.79Å; V395-I399 HydrophobicContact CG1-CG1 4.46Å; V395-I399 VanDerWaalsContact O-CG1 3.26Å; V395-I399 WeakPolarHBondContact O-CG1 3.33Å; V395-I399 PolarHBondContact O-N 3.17Å
396	I	98.9	Very high	98.6	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.01	18%	0.178	C	C	.	.	H	α-helix	trans	-66.3	-38	178.8	-71.3	172.8	0	0	0	111.1	S146 V150 F338 M359 L392 E394 I399 K400	S146-I396 WeakPolarHBondContact O-CD1 3.48Å; V150-I396 HydrophobicContact CG1-CD1 4.45Å; V150-I396 HydrophobicContact CG1-CG2 4.2Å; V150-I396 HydrophobicContact CG2-CD1 4.03Å; F338-I396 HydrophobicContact CE2-CG1 4.26Å; F338-I396 HydrophobicContact CZ-CD1 4.27Å; F338-I396 HydrophobicContact CZ-CG1 4.19Å; M359-I396 HydrophobicContact CE-CD1 4.28Å; L392-I396 HydrophobicContact CD1-CD1 3.87Å; L392-I396 HydrophobicContact CD1-CG1 3.94Å; L392-I396 HydrophobicContact CD2-CD1 4.23Å; L392-I396 HydrophobicContact CG-CD1 3.84Å; L392-I396 HydrophobicContact CG-CG1 4.3Å; L392-I396 WeakPolarHBondContact O-CG1 3.47Å; L392-I396 PolarHBondContact O-N 2.76Å; E394-I396 VanDerWaalsContact C-N 3.33Å; E394-I396 PolarHBondContact O-N 3.02Å; I396-I399 PolarHBondContact O-N 3.13Å; I396-K400 HydrophobicContact CG2-CD 4.01Å; I396-K400 WeakPolarHBondContact O-CG 3.08Å; I396-K400 PolarHBondContact O-N 2.79Å
397	N	98.8	Very high	98.6	Very high	67 Å²	67	37.6 Å²	37.6	36%	0.358	18%	0.179	S	C	.	.	H	α-helix	trans	-57.5	-48.4	173.2	-178.9	43.7	0	0	0	111.5	A393 E394 V395 K400 R401	A393-N397 WeakPolarHBondContact O-CB 3.42Å; A393-N397 PolarHBondContact O-N 3.21Å; E394-N397 WeakPolarHBondContact O-CB 3.25Å; E394-N397 PolarHBondContact O-N 2.71Å; E394-N397 PolarHBondContact OE1-ND2 3.48Å; E394-N397 PolarHBondContact OE2-ND2 3.41Å; V395-N397 VanDerWaalsContact C-N 3.34Å; V395-N397 PolarHBondContact O-N 2.62Å; N397-K400 PolarHBondContact O-N 3.27Å; N397-R401 PolarHBondContact ND2-NH1 3.38Å; N397-R401 VanDerWaalsContact ND2-NH1 3.15Å; N397-R401 WeakPolarHBondContact O-CB 3.36Å; N397-R401 PolarHBondContact O-N 2.92Å
398	I	98.6	Very high	98.6	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-60.8	-48.7	176.2	-63.9	-59.8	0	0	0	111.2	I105 A111 E394 V395 K400 R401 E402 L404	I105-I398 HydrophobicContact CD1-CB 4.25Å; I105-I398 HydrophobicContact CD1-CG1 4.09Å; I105-I398 HydrophobicContact CD1-CG2 4.28Å; I105-I398 HydrophobicContact CG2-CG2 4.16Å; A111-I398 HydrophobicContact CB-CD1 4.07Å; A111-I398 HydrophobicContact CB-CG1 4.4Å; E394-I398 HydrophobicContact CG-CG1 4.47Å; E394-I398 VanDerWaalsContact O-CG1 3.29Å; E394-I398 WeakPolarHBondContact O-CG1 3.09Å; E394-I398 PolarHBondContact O-N 2.9Å; V395-I398 PolarHBondContact O-N 3.19Å; I398-K400 PolarHBondContact O-N 3.11Å; I398-R401 PolarHBondContact O-N 2.9Å; I398-E402 HydrophobicContact CG2-CG 4.46Å; I398-E402 WeakPolarHBondContact O-CB 3.33Å; I398-E402 PolarHBondContact O-N 3.07Å; I398-L404 HydrophobicContact CG2-CD1 3.98Å
399	I	98.8	Very high	98.6	Very high	6 Å²	6	36.3 Å²	36.3	3%	0.031	18%	0.182	C	C	.	.	H	α-helix	trans	-54	-44.4	179.1	-70.3	167.3	0	0	0	111.3	I105 F338 V395 I396 D403 L404 L405 L478	I105-I399 HydrophobicContact CG2-CG1 4.27Å; F338-I399 HydrophobicContact CE2-CD1 4.3Å; V395-I399 HydrophobicContact CG1-CD1 3.79Å; V395-I399 HydrophobicContact CG1-CG1 4.46Å; V395-I399 VanDerWaalsContact O-CG1 3.26Å; V395-I399 WeakPolarHBondContact O-CG1 3.33Å; V395-I399 PolarHBondContact O-N 3.17Å; I396-I399 PolarHBondContact O-N 3.13Å; I399-D403 PolarHBondContact O-N 3.12Å; I399-L404 HydrophobicContact CG1-CD1 4.18Å; I399-L404 HydrophobicContact CG2-CB 4.41Å; I399-L404 PolarHBondContact O-N 3.2Å; I399-L405 HydrophobicContact CG2-CD2 3.93Å; I399-L405 HydrophobicContact CG2-CG 4.03Å; I399-L478 HydrophobicContact CD1-CD1 3.46Å; I399-L478 VanDerWaalsContact CD1-CD1 3.46Å; I399-L478 HydrophobicContact CG1-CD1 3.59Å
400	K	98.6	Very high	98.6	Very high	113 Å²	113	41.8 Å²	41.8	49%	0.491	21%	0.207	S	C	.	.	H	α-helix	trans	-72.6	-47.8	179.6	-71.3	175.4	175.6	178.2	0	112	S149 I396 N397 I398 E402	S149-K400 PolarHBondContact O-NZ 3.48Å; S149-K400 PolarHBondContact OG-NZ 3.17Å; I396-K400 HydrophobicContact CG2-CD 4.01Å; I396-K400 WeakPolarHBondContact O-CG 3.08Å; I396-K400 PolarHBondContact O-N 2.79Å; N397-K400 PolarHBondContact O-N 3.27Å; I398-K400 PolarHBondContact O-N 3.11Å; K400-E402 PolarHBondContact O-N 3.39Å
401	R	98.4	Very high	98.6	Very high	145 Å²	145	41.6 Å²	41.6	55%	0.547	21%	0.206	S	C	.	.	H	α-helix	trans	-68.1	-34.7	-174.3	-171.5	178.2	72.2	-138.4	6.8	112.9	E394 N397 I398	E394-R401 IonicContact OE1-NH1 2.8Å; N397-R401 PolarHBondContact ND2-NH1 3.38Å; N397-R401 VanDerWaalsContact ND2-NH1 3.15Å; N397-R401 WeakPolarHBondContact O-CB 3.36Å; N397-R401 PolarHBondContact O-N 2.92Å; I398-R401 PolarHBondContact O-N 2.9Å
402	E	97.4	Very high	98.6	Very high	69 Å²	69	40.7 Å²	40.7	32%	0.322	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	11.9	-175.2	-61.4	178.2	-159.4	0	0	113	I398 K400 L404	I398-E402 HydrophobicContact CG2-CG 4.46Å; I398-E402 WeakPolarHBondContact O-CB 3.33Å; I398-E402 PolarHBondContact O-N 3.07Å; K400-E402 PolarHBondContact O-N 3.39Å; E402-L404 VanDerWaalsContact C-N 3.29Å; E402-L404 HydrophobicContact CB-CD2 3.9Å; E402-L404 HydrophobicContact CB-CG 4.09Å; E402-L404 PolarHBondContact O-N 2.76Å
403	D	98.2	Very high	98.6	Very high	83 Å²	83	47.7 Å²	47.7	44%	0.444	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.6	45.6	177	-165.7	19	0	0	0	113.5	I399 L405 N406 N407	I399-D403 PolarHBondContact O-N 3.12Å; D403-L405 PolarHBondContact O-N 3.46Å; D403-N406 PolarHBondContact O-N 2.72Å; D403-N406 WeakPolarHBondContact OD1-CB 3.37Å; D403-N406 PolarHBondContact OD1-ND2 2.92Å; D403-N406 WeakPolarHBondContact OD2-CB 3.26Å; D403-N406 PolarHBondContact OD2-ND2 3.27Å; D403-N407 PolarHBondContact O-N 3.1Å; D403-N407 VanDerWaalsContact O-N 3.11Å
404	L	98.7	Very high	98.6	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-71.2	-16.3	-171.7	-61.3	-171.4	0	0	0	113.3	I105 I398 I399 E402 A408 L478 V479	I105-L404 HydrophobicContact CG2-CD1 3.94Å; I398-L404 HydrophobicContact CG2-CD1 3.98Å; I399-L404 HydrophobicContact CG1-CD1 4.18Å; I399-L404 HydrophobicContact CG2-CB 4.41Å; I399-L404 PolarHBondContact O-N 3.2Å; E402-L404 VanDerWaalsContact C-N 3.29Å; E402-L404 HydrophobicContact CB-CD2 3.9Å; E402-L404 HydrophobicContact CB-CG 4.09Å; E402-L404 PolarHBondContact O-N 2.76Å; L404-A408 WeakPolarHBondContact O-CB 3.48Å; L404-A408 PolarHBondContact O-N 3.13Å; L404-L478 HydrophobicContact CB-CB 4.19Å; L404-L478 HydrophobicContact CD1-CB 3.95Å; L404-V479 HydrophobicContact CD1-CG1 4.27Å
405	L	98.8	Very high	98.6	Very high	42 Å²	42	46.4 Å²	46.4	22%	0.22	23%	0.228	C	C	.	.	H	α-helix	trans	-71.7	-49.3	174.2	-59.2	-172.8	0	0	0	111.2	G336 F338 I399 D403 N407 A408 A409	G336-L405 WeakPolarHBondContact CA-O 3.49Å; F338-L405 HydrophobicContact CB-CD1 4.22Å; I399-L405 HydrophobicContact CG2-CD2 3.93Å; I399-L405 HydrophobicContact CG2-CG 4.03Å; D403-L405 PolarHBondContact O-N 3.46Å; L405-N407 VanDerWaalsContact C-N 3.27Å; L405-N407 PolarHBondContact O-N 3.35Å; L405-A408 PolarHBondContact O-N 2.96Å; L405-A409 PolarHBondContact O-N 3.3Å; L405-A409 VanDerWaalsContact O-N 3.09Å
406	N	98.7	Very high	98.6	Very high	97 Å²	97	48.3 Å²	48.3	52%	0.519	24%	0.238	S	C	.	.	H	α-helix	trans	-63.8	-38.1	175	-73.6	-26.5	0	0	0	111	D403 A408 A409 H410	D403-N406 PolarHBondContact O-N 2.72Å; D403-N406 WeakPolarHBondContact OD1-CB 3.37Å; D403-N406 PolarHBondContact OD1-ND2 2.92Å; D403-N406 WeakPolarHBondContact OD2-CB 3.26Å; D403-N406 PolarHBondContact OD2-ND2 3.27Å; N406-A408 PolarHBondContact O-N 2.95Å; N406-A409 PolarHBondContact O-N 2.66Å; N406-H410 WeakPolarHBondContact O-CB 3.22Å; N406-H410 PolarHBondContact O-N 3.31Å
407	N	98.3	Very high	98.6	Very high	14 Å²	14	52.2 Å²	52.2	8%	0.075	26%	0.262	C	S	.	.	H	α-helix	trans	-56.7	-48.5	171.9	178.5	64.2	0	0	0	112.7	D403 L405 A409 H410 A411 L478 F480 R481	D403-N407 PolarHBondContact O-N 3.1Å; D403-N407 VanDerWaalsContact O-N 3.11Å; L405-N407 VanDerWaalsContact C-N 3.27Å; L405-N407 PolarHBondContact O-N 3.35Å; N407-A409 VanDerWaalsContact C-N 3.28Å; N407-A409 PolarHBondContact O-N 3.38Å; N407-H410 PolarHBondContact O-N 3.19Å; N407-H410 VanDerWaalsContact O-N 3.12Å; N407-A411 WeakPolarHBondContact O-CB 3.42Å; N407-A411 PolarHBondContact O-N 3.35Å; N407-L478 PolarHBondContact ND2-O 3.03Å; N407-F480 PolarHBondContact ND2-O 3.42Å; N407-R481 WeakPolarHBondContact OD1-CD 3.31Å; N407-R481 PolarHBondContact OD1-NH1 2.89Å
408	A	98.8	Very high	98.6	Very high	2 Å²	2	49.7 Å²	49.7	2%	0.017	25%	0.252	C	S	.	.	H	α-helix	trans	-61.9	-36.3	178.7	0	0	0	0	0	112.2	L404 L405 N406 G412 G437 T438 L478	L404-A408 WeakPolarHBondContact O-CB 3.48Å; L404-A408 PolarHBondContact O-N 3.13Å; L405-A408 PolarHBondContact O-N 2.96Å; N406-A408 PolarHBondContact O-N 2.95Å; A408-G412 WeakPolarHBondContact O-CA 3.32Å; A408-G412 PolarHBondContact O-N 3.02Å; A408-G437 CarbonylContact O-C 3.45Å; A408-T438 PolarHBondContact O-N 3.25Å; A408-L478 HydrophobicContact CB-CD2 4.4Å
409	A	98.7	Very high	98.6	Very high	45 Å²	45	49.7 Å²	49.7	37%	0.372	25%	0.252	S	S	.	.	H	α-helix	trans	-65.4	-43.7	172.4	0	0	0	0	0	112	L405 N406 N407 K413	L405-A409 PolarHBondContact O-N 3.3Å; L405-A409 VanDerWaalsContact O-N 3.09Å; N406-A409 PolarHBondContact O-N 2.66Å; N407-A409 VanDerWaalsContact C-N 3.28Å; N407-A409 PolarHBondContact O-N 3.38Å; A409-K413 WeakPolarHBondContact O-CB 3.45Å; A409-K413 PolarHBondContact O-N 2.86Å
410	H	98.3	Very high	98.6	Very high	116 Å²	116	53.3 Å²	53.3	54%	0.537	27%	0.271	S	S	.	.	H	α-helix	trans	-69.8	-56.9	-177.2	-165.4	76.4	0	0	0	112.6	N406 N407 G412 K413 A414 D482	N406-H410 WeakPolarHBondContact O-CB 3.22Å; N406-H410 PolarHBondContact O-N 3.31Å; N407-H410 PolarHBondContact O-N 3.19Å; N407-H410 VanDerWaalsContact O-N 3.12Å; H410-G412 PolarHBondContact O-N 2.95Å; H410-K413 WeakPolarHBondContact O-CB 3.49Å; H410-K413 PolarHBondContact O-N 2.63Å; H410-A414 PolarHBondContact O-N 2.94Å; H410-D482 IonicContact CD2-OD1 3.77Å; H410-D482 PolarHBondContact CD2-OD1 2.83Å; H410-D482 VanDerWaalsContact CD2-OD1 3.32Å; H410-D482 IonicContact CD2-OD2 3.93Å; H410-D482 PolarHBondContact CD2-OD2 3.32Å; H410-D482 IonicContact NE2-OD2 3.61Å; H410-D482 PolarHBondContact NE2-OD2 3.35Å; H410-D482 VanDerWaalsContact NE2-OD2 3.09Å
411	A	98.4	Very high	98.6	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-63.2	-32.8	177.5	0	0	0	0	0	111.7	N407 A414 L415 T438 F480 D482	N407-A411 WeakPolarHBondContact O-CB 3.42Å; N407-A411 PolarHBondContact O-N 3.35Å; A411-A414 PolarHBondContact O-N 3.16Å; A411-L415 WeakPolarHBondContact O-CB 3.4Å; A411-L415 PolarHBondContact O-N 2.81Å; A411-T438 HydrophobicContact CB-CG2 4.48Å; A411-F480 HydrophobicContact CB-CD1 3.87Å; A411-F480 HydrophobicContact CB-CE1 4.02Å; A411-D482 WeakPolarHBondContact CA-OD1 3.32Å; A411-D482 WeakPolarHBondContact CB-OD1 3.2Å; A411-D482 PolarHBondContact N-OD1 2.92Å
412	G	98.8	Very high	98.6	Very high	2 Å²	2	44.7 Å²	44.7	2%	0.021	24%	0.241	C	C	.	.	H	α-helix	trans	-62	-42.9	171.2	0	0	0	0	0	113.3	A408 H410 L415 L416 G437	A408-G412 WeakPolarHBondContact O-CA 3.32Å; A408-G412 PolarHBondContact O-N 3.02Å; H410-G412 PolarHBondContact O-N 2.95Å; G412-L415 PolarHBondContact O-N 3.24Å; G412-L416 WeakPolarHBondContact O-CB 3.4Å; G412-L416 PolarHBondContact O-N 3.49Å; G412-G437 VanDerWaalsContact CA-C 3.4Å; G412-G437 WeakPolarHBondContact CA-O 3.21Å
413	K	98.7	Very high	98.7	Very high	149 Å²	149	43.2 Å²	43.2	65%	0.648	23%	0.234	S	C	*	.	H	α-helix	trans	-63.6	-42	174.8	-173.6	-179.9	180	-178.7	0	111.6	A409 H410 L416 T417	A409-K413 WeakPolarHBondContact O-CB 3.45Å; A409-K413 PolarHBondContact O-N 2.86Å; H410-K413 WeakPolarHBondContact O-CB 3.49Å; H410-K413 PolarHBondContact O-N 2.63Å; K413-L416 PolarHBondContact O-N 3.15Å; K413-T417 VanDerWaalsContact O-CB 3.29Å; K413-T417 WeakPolarHBondContact O-CB 3.27Å; K413-T417 PolarHBondContact O-N 2.87Å; K413-T417 PolarHBondContact O-OG1 3.12Å
414	A	98.4	Very high	98.7	Very high	21 Å²	21	43 Å²	43	17%	0.174	24%	0.244	C	C	.	.	H	α-helix	trans	-60.1	-47.8	175.3	0	0	0	0	0	111.3	H410 A411 T417 G418 A485	H410-A414 PolarHBondContact O-N 2.94Å; A411-A414 PolarHBondContact O-N 3.16Å; A414-T417 PolarHBondContact O-N 3.18Å; A414-G418 PolarHBondContact O-N 3.32Å; A414-A485 HydrophobicContact CB-CB 4.38Å
415	L	98.8	Very high	98.6	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-58.7	-52.2	176	177.2	61.3	0	0	0	111.9	A411 G412 T417 G418 L419 C440 F474 A485 F488	A411-L415 WeakPolarHBondContact O-CB 3.4Å; A411-L415 PolarHBondContact O-N 2.81Å; G412-L415 PolarHBondContact O-N 3.24Å; L415-T417 VanDerWaalsContact C-N 3.35Å; L415-T417 PolarHBondContact O-N 3.31Å; L415-G418 PolarHBondContact O-N 3.1Å; L415-L419 HydrophobicContact CD1-CD1 4.14Å; L415-L419 HydrophobicContact CD1-CG 4.24Å; L415-L419 HydrophobicContact CG-CD1 4.06Å; L415-L419 WeakPolarHBondContact O-CG 3.35Å; L415-L419 PolarHBondContact O-N 3.01Å; L415-C440 HydrophobicContact CD2-CB 4.19Å; L415-F474 HydrophobicContact CD1-CD1 4.45Å; L415-F474 HydrophobicContact CD1-CE1 4.46Å; L415-F474 HydrophobicContact CD2-CB 3.99Å; L415-F474 HydrophobicContact CD2-CD1 4.19Å; L415-F474 HydrophobicContact CD2-CG 4Å; L415-A485 HydrophobicContact CB-CB 4.19Å; L415-F488 HydrophobicContact CD1-CD1 3.58Å; L415-F488 HydrophobicContact CD1-CE1 3.71Å
416	L	98.8	Very high	98.6	Very high	41 Å²	41	46.8 Å²	46.8	22%	0.215	26%	0.256	C	S	.	.	H	α-helix	trans	-62.8	-41	-177.9	-175.2	62.1	0	0	0	112.1	G412 K413 L419 L420 V433	G412-L416 WeakPolarHBondContact O-CB 3.4Å; G412-L416 PolarHBondContact O-N 3.49Å; K413-L416 PolarHBondContact O-N 3.15Å; L416-L419 PolarHBondContact O-N 3.48Å; L416-L420 HydrophobicContact CG-CD1 4.39Å; L416-L420 WeakPolarHBondContact O-CG 3.4Å; L416-L420 PolarHBondContact O-N 2.94Å; L416-V433 HydrophobicContact CD1-CG1 3.56Å
417	T	98.8	Very high	98.6	Very high	85 Å²	85	46.1 Å²	46.1	52%	0.521	26%	0.257	S	S	.	.	H	α-helix	trans	-61.6	-45.6	177	-56.8	0	0	0	0	110.9	K413 A414 L415 L420 D421	K413-T417 VanDerWaalsContact O-CB 3.29Å; K413-T417 WeakPolarHBondContact O-CB 3.27Å; K413-T417 PolarHBondContact O-N 2.87Å; K413-T417 PolarHBondContact O-OG1 3.12Å; A414-T417 PolarHBondContact O-N 3.18Å; L415-T417 VanDerWaalsContact C-N 3.35Å; L415-T417 PolarHBondContact O-N 3.31Å; T417-L420 PolarHBondContact O-N 2.99Å; T417-D421 PolarHBondContact O-N 2.88Å; T417-D421 VanDerWaalsContact O-N 3.08Å
418	G	98.8	Very high	98.6	Very high	14 Å²	14	50.5 Å²	50.5	14%	0.144	28%	0.277	C	S	.	.	H	α-helix	trans	-65.4	-37.6	176.3	0	0	0	0	0	113.2	A414 L415 L420 D421 L422 L489	A414-G418 PolarHBondContact O-N 3.32Å; L415-G418 PolarHBondContact O-N 3.1Å; G418-L420 VanDerWaalsContact C-N 3.33Å; G418-L420 PolarHBondContact O-N 3.18Å; G418-D421 WeakPolarHBondContact O-CB 3.48Å; G418-D421 PolarHBondContact O-N 3.05Å; G418-L422 WeakPolarHBondContact O-CG 3.5Å; G418-L422 PolarHBondContact O-N 3.34Å; G418-L489 VanDerWaalsContact C-CD2 3.48Å
419	L	98.9	Very high	98.6	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-64.1	-38.3	174.4	-71.5	172.8	0	0	0	112	L415 L416 L422 Q423 V433 C440 F442 F474 F488 L489	L415-L419 HydrophobicContact CD1-CD1 4.14Å; L415-L419 HydrophobicContact CD1-CG 4.24Å; L415-L419 HydrophobicContact CG-CD1 4.06Å; L415-L419 WeakPolarHBondContact O-CG 3.35Å; L415-L419 PolarHBondContact O-N 3.01Å; L416-L419 PolarHBondContact O-N 3.48Å; L419-L422 PolarHBondContact O-N 2.85Å; L419-Q423 WeakPolarHBondContact O-CB 3.48Å; L419-Q423 PolarHBondContact O-N 3.04Å; L419-V433 HydrophobicContact CB-CG1 3.66Å; L419-V433 HydrophobicContact CB-CG2 4.17Å; L419-C440 HydrophobicContact CD1-CB 4.1Å; L419-F442 HydrophobicContact CD2-CD1 3.98Å; L419-F442 HydrophobicContact CD2-CE1 4.04Å; L419-F474 HydrophobicContact CD1-CD2 4.09Å; L419-F474 HydrophobicContact CD1-CE2 3.68Å; L419-F474 HydrophobicContact CD1-CZ 4.21Å; L419-F474 HydrophobicContact CD2-CE2 4.11Å; L419-F474 HydrophobicContact CD2-CZ 3.97Å; L419-F488 HydrophobicContact CD2-CE1 3.96Å; L419-F488 HydrophobicContact CD2-CZ 4.29Å; L419-L489 HydrophobicContact CD2-CD2 4.48Å; L419-L489 HydrophobicContact CG-CD2 4.49Å
420	L	98.8	Very high	98.6	Very high	81 Å²	81	49.5 Å²	49.5	42%	0.424	26%	0.264	S	S	.	.	H	α-helix	trans	-64.9	-38.8	174.7	-72.8	167.2	0	0	0	112	L416 T417 G418 Q423 A424 V433	L416-L420 HydrophobicContact CG-CD1 4.39Å; L416-L420 WeakPolarHBondContact O-CG 3.4Å; L416-L420 PolarHBondContact O-N 2.94Å; T417-L420 PolarHBondContact O-N 2.99Å; G418-L420 VanDerWaalsContact C-N 3.33Å; G418-L420 PolarHBondContact O-N 3.18Å; L420-Q423 WeakPolarHBondContact O-CB 3.26Å; L420-Q423 PolarHBondContact O-N 3.29Å; L420-A424 PolarHBondContact O-N 3.29Å; L420-V433 HydrophobicContact CD2-CB 3.94Å; L420-V433 HydrophobicContact CD2-CG1 3.79Å; L420-V433 HydrophobicContact CG-CB 4.49Å; L420-V433 HydrophobicContact CG-CG1 3.84Å
421	D	98.8	Very high	98.6	Very high	74 Å²	74	46 Å²	46	40%	0.396	25%	0.252	S	S	.	.	H	α-helix	trans	-60.7	-47.5	171.4	176.8	72.4	0	0	0	111.5	T417 G418 Q423 A424 R425	T417-D421 PolarHBondContact O-N 2.88Å; T417-D421 VanDerWaalsContact O-N 3.08Å; G418-D421 WeakPolarHBondContact O-CB 3.48Å; G418-D421 PolarHBondContact O-N 3.05Å; D421-Q423 VanDerWaalsContact C-N 3.3Å; D421-Q423 PolarHBondContact O-N 3.08Å; D421-A424 WeakPolarHBondContact O-CB 3.38Å; D421-A424 PolarHBondContact O-N 3.11Å; D421-A424 VanDerWaalsContact O-N 3.13Å; D421-R425 WeakPolarHBondContact O-CG 3.33Å; D421-R425 PolarHBondContact O-N 2.92Å; D421-R425 VanDerWaalsContact OD2-CD 3.27Å; D421-R425 WeakPolarHBondContact OD2-CD 3.32Å; D421-R425 IonicContact OD2-NH1 3.99Å; D421-R425 PolarHBondContact OD2-NH1 2.92Å
422	L	98.8	Very high	98.6	Very high	3 Å²	3	48.2 Å²	48.2	2%	0.016	26%	0.261	C	S	.	.	H	α-helix	trans	-63	-36.5	177.5	-67	-179.7	0	0	0	112.2	G418 L419 R425 Y426 I430 L489 F492 L496	G418-L422 WeakPolarHBondContact O-CG 3.5Å; G418-L422 PolarHBondContact O-N 3.34Å; L419-L422 PolarHBondContact O-N 2.85Å; L422-R425 PolarHBondContact O-N 3.35Å; L422-Y426 HydrophobicContact CD2-CD2 4.36Å; L422-Y426 HydrophobicContact CD2-CE2 4.18Å; L422-Y426 WeakPolarHBondContact O-CB 3.49Å; L422-Y426 PolarHBondContact O-N 3.06Å; L422-I430 HydrophobicContact CB-CD1 3.88Å; L422-L489 HydrophobicContact CD1-CD2 3.93Å; L422-F492 HydrophobicContact CD1-CD1 3.95Å; L422-L496 HydrophobicContact CB-CD1 4.3Å; L422-L496 HydrophobicContact CD1-CD1 4.18Å; L422-L496 HydrophobicContact CD2-CD1 4.18Å; L422-L496 HydrophobicContact CG-CD1 4.47Å
423	Q	98.8	Very high	98.6	Very high	39 Å²	39	48.5 Å²	48.5	18%	0.182	26%	0.262	C	S	.	.	H	α-helix	trans	-61.5	-43.9	172.6	-174.8	-178.8	-88.5	0	0	111.8	L419 L420 D421 R425 Y426 P427 I430 S431 V433	L419-Q423 WeakPolarHBondContact O-CB 3.48Å; L419-Q423 PolarHBondContact O-N 3.04Å; L420-Q423 WeakPolarHBondContact O-CB 3.26Å; L420-Q423 PolarHBondContact O-N 3.29Å; D421-Q423 VanDerWaalsContact C-N 3.3Å; D421-Q423 PolarHBondContact O-N 3.08Å; Q423-R425 VanDerWaalsContact C-N 3.29Å; Q423-R425 PolarHBondContact O-N 3.28Å; Q423-Y426 CarbonylContact O-C 3.35Å; Q423-P427 WeakPolarHBondContact O-CA 3.29Å; Q423-I430 HydrophobicContact CB-CB 4.4Å; Q423-I430 HydrophobicContact CB-CG2 3.77Å; Q423-I430 HydrophobicContact CG-CG2 4.08Å; Q423-I430 WeakPolarHBondContact CG-O 3.3Å; Q423-S431 VanDerWaalsContact OE1-C 3.27Å; Q423-V433 HydrophobicContact CB-CG2 3.82Å; Q423-V433 HydrophobicContact CG-CG2 4.28Å; Q423-V433 VanDerWaalsContact OE1-CG2 3.29Å
424	A	98.4	Very high	98.6	Very high	79 Å²	79	41.8 Å²	41.8	65%	0.653	23%	0.233	S	C	*	.	H	α-helix	trans	-64.4	-35.2	178.8	0	0	0	0	0	112.2	L420 D421	L420-A424 PolarHBondContact O-N 3.29Å; D421-A424 WeakPolarHBondContact O-CB 3.38Å; D421-A424 PolarHBondContact O-N 3.11Å; D421-A424 VanDerWaalsContact O-N 3.13Å
425	R	98.3	Very high	98.7	Very high	90 Å²	90	41.8 Å²	41.8	34%	0.34	24%	0.235	S	C	.	.	H	α-helix	trans	-82.3	-32.5	-179.5	-69.7	168.4	56.1	-160.9	-7.6	113.9	D421 L422 Q423 S493	D421-R425 WeakPolarHBondContact O-CG 3.33Å; D421-R425 PolarHBondContact O-N 2.92Å; D421-R425 VanDerWaalsContact OD2-CD 3.27Å; D421-R425 WeakPolarHBondContact OD2-CD 3.32Å; D421-R425 IonicContact OD2-NH1 3.99Å; D421-R425 PolarHBondContact OD2-NH1 2.92Å; L422-R425 PolarHBondContact O-N 3.35Å; Q423-R425 VanDerWaalsContact C-N 3.29Å; Q423-R425 PolarHBondContact O-N 3.28Å; R425-S493 PolarHBondContact NH2-OG 2.73Å
426	Y	98.5	Very high	98.7	Very high	30 Å²	30	45 Å²	45	12%	0.118	25%	0.247	C	C	.	.			trans	-128.3	55.5	-175.7	-55.6	-79	0	0	0	112.3	L422 Q423 Q428 F429 I430 L496	L422-Y426 HydrophobicContact CD2-CD2 4.36Å; L422-Y426 HydrophobicContact CD2-CE2 4.18Å; L422-Y426 WeakPolarHBondContact O-CB 3.49Å; L422-Y426 PolarHBondContact O-N 3.06Å; Q423-Y426 CarbonylContact O-C 3.35Å; Y426-Q428 VanDerWaalsContact C-OE1 3.28Å; Y426-Q428 PolarHBondContact O-N 3.49Å; Y426-Q428 VanDerWaalsContact O-N 3.12Å; Y426-F429 PolarHBondContact O-N 3.13Å; Y426-I430 PolarHBondContact O-N 2.96Å; Y426-L496 HydrophobicContact CD1-CB 4.1Å; Y426-L496 HydrophobicContact CD2-CB 3.82Å; Y426-L496 HydrophobicContact CD2-CD1 3.67Å; Y426-L496 HydrophobicContact CD2-CG 4.32Å; Y426-L496 HydrophobicContact CE1-CB 4.02Å; Y426-L496 HydrophobicContact CE2-CB 3.7Å; Y426-L496 HydrophobicContact CE2-CD1 4.05Å; Y426-L496 HydrophobicContact CG-CB 4Å; Y426-L496 HydrophobicContact CG-CD1 4.25Å
427	P	98.3	Very high	98.7	Very high	84 Å²	84	43.8 Å²	43.8	55%	0.545	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-19.9	-176.6	28.2	-37	0	0	0	113.4	Q423 F429	Q423-P427 WeakPolarHBondContact O-CA 3.29Å; P427-F429 VanDerWaalsContact C-N 3.25Å; P427-F429 PolarHBondContact O-N 3.47Å
428	Q	98.1	Very high	98.7	Very high	106 Å²	106	39.8 Å²	39.8	50%	0.495	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-18.2	173.8	71.9	-81.1	15.4	0	0	113.6	Y426 P445	Y426-Q428 VanDerWaalsContact C-OE1 3.28Å; Y426-Q428 PolarHBondContact O-N 3.49Å; Y426-Q428 VanDerWaalsContact O-N 3.12Å; Q428-P445 WeakPolarHBondContact O-CG 3.25Å
429	F	98.4	Very high	98.7	Very high	23 Å²	23	39.2 Å²	39.2	10%	0.101	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118	-28.2	-178.5	-60	-47.1	0	0	0	113.5	Y426 P427 T444 P445 L496 F499	Y426-F429 PolarHBondContact O-N 3.13Å; P427-F429 VanDerWaalsContact C-N 3.25Å; P427-F429 PolarHBondContact O-N 3.47Å; F429-T444 WeakPolarHBondContact O-CA 3.48Å; F429-P445 WeakPolarHBondContact O-CD 3.39Å; F429-L496 HydrophobicContact CB-CD2 4.22Å; F429-L496 HydrophobicContact CD2-CD2 4.22Å; F429-F499 AromaticContact CD1-CD1 3.97Å; F429-F499 HydrophobicContact CD1-CD1 3.97Å; F429-F499 HydrophobicContact CD1-CE1 4.12Å; F429-F499 HydrophobicContact CD2-CD1 4.23Å; F429-F499 AromaticContact CE1-CD1 3.66Å; F429-F499 HydrophobicContact CE1-CD1 3.66Å; F429-F499 AromaticContact CE1-CE1 3.95Å; F429-F499 HydrophobicContact CE1-CE1 3.95Å; F429-F499 HydrophobicContact CE2-CB 4.32Å; F429-F499 AromaticContact CE2-CD1 3.92Å; F429-F499 HydrophobicContact CE2-CD1 3.92Å; F429-F499 WeakPolarHBondContact CE2-O 3.38Å; F429-F499 HydrophobicContact CG-CD1 4.26Å; F429-F499 AromaticContact CZ-CD1 3.64Å; F429-F499 HydrophobicContact CZ-CD1 3.64Å; F429-F499 HydrophobicContact CZ-CE1 4.38Å; F429-F499 WeakPolarHBondContact CZ-O 3.39Å
430	I	98.8	Very high	98.7	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.01	21%	0.213	C	C	.	.			trans	-123.1	129.5	-173.6	-60.3	175.1	0	0	0	108.8	L422 Q423 Y426 V433 F442 F492 L496	L422-I430 HydrophobicContact CB-CD1 3.88Å; Q423-I430 HydrophobicContact CB-CB 4.4Å; Q423-I430 HydrophobicContact CB-CG2 3.77Å; Q423-I430 HydrophobicContact CG-CG2 4.08Å; Q423-I430 WeakPolarHBondContact CG-O 3.3Å; Y426-I430 PolarHBondContact O-N 2.96Å; I430-V433 HydrophobicContact CG2-CG2 3.63Å; I430-F442 HydrophobicContact CB-CD2 4.42Å; I430-F442 HydrophobicContact CG1-CD2 4.2Å; I430-F442 HydrophobicContact CG1-CE2 4.06Å; I430-F442 HydrophobicContact CG2-CB 4.02Å; I430-F442 HydrophobicContact CG2-CD2 3.91Å; I430-F442 HydrophobicContact CG2-CG 3.96Å; I430-F492 HydrophobicContact CD1-CE1 4.19Å; I430-L496 HydrophobicContact CD1-CD1 3.55Å; I430-L496 HydrophobicContact CD1-CD2 4.2Å
431	S	98.8	Very high	98.7	Very high	42 Å²	42	35.3 Å²	35.3	29%	0.294	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	162.1	174.7	65.8	0	0	0	0	111	Q423 V433 D443	Q423-S431 VanDerWaalsContact OE1-C 3.27Å; S431-V433 PolarHBondContact O-N 3.39Å; S431-D443 PolarHBondContact N-O 3.39Å; S431-D443 PolarHBondContact O-N 3.39Å; S431-D443 PolarHBondContact OG-O 2.97Å
432	R	98.7	Very high	98.7	Very high	47 Å²	47	31.8 Å²	31.8	18%	0.177	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	53.4	39.2	173.6	-53.1	177.7	70.1	-139.7	3.6	112.9	L251 Y253 R434 D443	L251-R432 PolarHBondContact O-NH2 3.16Å; Y253-R432 HydrophobicContact CD2-CB 4.04Å; Y253-R432 HydrophobicContact CD2-CG 4.23Å; Y253-R432 HydrophobicContact CG-CB 4.27Å; R432-R434 PolarHBondContact O-N 2.87Å; R432-R434 PolarHBondContact O-NH1 3.1Å; R432-D443 WeakPolarHBondContact CD-OD2 3.29Å; R432-D443 IonicContact CZ-OD2 3Å; R432-D443 IonicContact NE-OD2 2.74Å; R432-D443 IonicContact NH1-OD2 3.86Å; R432-D443 PolarHBondContact NH1-OD2 3.33Å
433	V	98.9	Very high	98.7	Very high	8 Å²	8	31.9 Å²	31.9	5%	0.048	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.5	127.8	170.9	169.2	0	0	0	0	109.1	L416 L419 L420 Q423 I430 S431 F442	L416-V433 HydrophobicContact CD1-CG1 3.56Å; L419-V433 HydrophobicContact CB-CG1 3.66Å; L419-V433 HydrophobicContact CB-CG2 4.17Å; L420-V433 HydrophobicContact CD2-CB 3.94Å; L420-V433 HydrophobicContact CD2-CG1 3.79Å; L420-V433 HydrophobicContact CG-CB 4.49Å; L420-V433 HydrophobicContact CG-CG1 3.84Å; Q423-V433 HydrophobicContact CB-CG2 3.82Å; Q423-V433 HydrophobicContact CG-CG2 4.28Å; Q423-V433 VanDerWaalsContact OE1-CG2 3.29Å; I430-V433 HydrophobicContact CG2-CG2 3.63Å; S431-V433 PolarHBondContact O-N 3.39Å; V433-F442 HydrophobicContact CG2-CB 3.75Å
434	R	98.9	Very high	98.7	Very high	9 Å²	9	30 Å²	30	3%	0.034	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	157.7	-174.6	61.5	-165.4	176.5	-85.1	3.8	111	Y253 G300 D301 R432 C440 S441 D443	Y253-R434 HydrophobicContact CE1-CB 3.64Å; Y253-R434 WeakPolarHBondContact OH-CD 3.47Å; G300-R434 PolarHBondContact O-NH2 2.85Å; D301-R434 PolarHBondContact O-NE 3.26Å; R432-R434 PolarHBondContact O-N 2.87Å; R432-R434 PolarHBondContact O-NH1 3.1Å; R434-C440 CarbonylContact O-C 3.53Å; R434-C440 VanDerWaalsContact O-CA 3.29Å; R434-C440 WeakPolarHBondContact O-CA 3.39Å; R434-S441 VanDerWaalsContact CG-OG 3.27Å; R434-S441 WeakPolarHBondContact CG-OG 3.4Å; R434-S441 VanDerWaalsContact CZ-OG 3.32Å; R434-S441 PolarHBondContact N-O 3.17Å; R434-S441 PolarHBondContact NE-OG 3.35Å; R434-S441 PolarHBondContact O-N 2.79Å; R434-S441 VanDerWaalsContact O-O 3.13Å; R434-D443 IonicContact CZ-OD1 2.83Å; R434-D443 IonicContact NH1-OD1 3.51Å; R434-D443 PolarHBondContact NH1-OD1 3.37Å; R434-D443 IonicContact NH1-OD2 3.89Å; R434-D443 IonicContact NH2-OD1 3.88Å; R434-D443 PolarHBondContact NH2-OD1 3.12Å
435	G	98.8	Very high	98.7	Very high	21 Å²	21	29 Å²	29	22%	0.216	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169	169.4	172.1	0	0	0	0	0	114.3	F439	G435-F439 WeakPolarHBondContact CA-O 3.4Å
436	R	98.9	Very high	98.7	Very high	66 Å²	66	27.6 Å²	27.6	25%	0.249	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	122.8	172.1	-175.4	177	-82.3	-173	-12	108.3	I295 D306 T335 F439	I295-R436 HydrophobicContact CD1-CB 4.39Å; D306-R436 VanDerWaalsContact CG-NH2 3.27Å; D306-R436 IonicContact OD1-CZ 2.67Å; D306-R436 IonicContact OD1-NH1 3.54Å; D306-R436 PolarHBondContact OD1-NH1 3.42Å; D306-R436 IonicContact OD1-NH2 3.73Å; D306-R436 PolarHBondContact OD1-NH2 3.04Å; D306-R436 IonicContact OD2-CZ 3.13Å; D306-R436 IonicContact OD2-NH1 3.53Å; D306-R436 IonicContact OD2-NH2 2.69Å; D306-R436 PolarHBondContact OD2-NH2 2.98Å; T335-R436 WeakPolarHBondContact CA-O 3.34Å; R436-F439 PolarHBondContact N-O 3.45Å; R436-F439 VanDerWaalsContact N-O 3.09Å; R436-F439 VanDerWaalsContact O-CB 3.3Å; R436-F439 WeakPolarHBondContact O-CB 3.22Å; R436-F439 PolarHBondContact O-N 3.06Å
437	G	98.8	Very high	98.7	Very high	16 Å²	16	30.5 Å²	30.5	17%	0.165	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	-141.4	-165.3	0	0	0	0	0	110.8	C334 A408 G412 F439 C440	C334-G437 CarbonylContact O-C 3.56Å; C334-G437 WeakPolarHBondContact O-CA 3.46Å; A408-G437 CarbonylContact O-C 3.45Å; G412-G437 VanDerWaalsContact CA-C 3.4Å; G412-G437 WeakPolarHBondContact CA-O 3.21Å; G437-F439 PolarHBondContact O-N 3.44Å; G437-C440 PolarHBondContact O-SG 2.97Å; G437-C440 VanDerWaalsContact O-SG 3.36Å
438	T	98.9	Very high	98.7	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.012	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-2.6	175.5	56.9	0	0	0	0	113.4	C334 A408 A411 C440 F480	C334-T438 PolarHBondContact O-N 2.97Å; C334-T438 PolarHBondContact O-OG1 2.91Å; A408-T438 PolarHBondContact O-N 3.25Å; A411-T438 HydrophobicContact CB-CG2 4.48Å; T438-C440 VanDerWaalsContact C-N 3.26Å; T438-C440 PolarHBondContact O-N 2.76Å; T438-F480 HydrophobicContact CG2-CD1 3.85Å; T438-F480 HydrophobicContact CG2-CE1 4.21Å
439	F	98.9	Very high	98.7	Very high	1 Å²	1	26.8 Å²	26.8	0%	0.004	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	75.6	176.3	-152.6	-80.6	0	0	0	109.9	I295 S297 Q329 T330 C334 T335 G435 R436 G437 R475	I295-F439 HydrophobicContact CB-CD1 4.5Å; I295-F439 HydrophobicContact CB-CE1 4.03Å; I295-F439 HydrophobicContact CD1-CD1 4Å; I295-F439 HydrophobicContact CD1-CE1 4.36Å; I295-F439 HydrophobicContact CG2-CD1 4.11Å; I295-F439 HydrophobicContact CG2-CE1 3.68Å; S297-F439 WeakPolarHBondContact OG-CZ 3.42Å; Q329-F439 HydrophobicContact CG-CE2 4.29Å; Q329-F439 HydrophobicContact CG-CZ 4.45Å; T330-F439 HydrophobicContact CG2-CE2 4.26Å; T330-F439 HydrophobicContact CG2-CZ 4.1Å; C334-F439 VanDerWaalsContact SG-CD2 3.53Å; T335-F439 HydrophobicContact CG2-CB 4.28Å; G435-F439 WeakPolarHBondContact CA-O 3.4Å; R436-F439 PolarHBondContact N-O 3.45Å; R436-F439 VanDerWaalsContact N-O 3.09Å; R436-F439 VanDerWaalsContact O-CB 3.3Å; R436-F439 WeakPolarHBondContact O-CB 3.22Å; R436-F439 PolarHBondContact O-N 3.06Å; G437-F439 PolarHBondContact O-N 3.44Å; F439-R475 VanDerWaalsContact CZ-NE 3.26Å
440	C	98.9	Very high	98.7	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	160.8	-175.7	-60.1	0	0	0	0	112.2	L415 L419 R434 G437 T438 F474	L415-C440 HydrophobicContact CD2-CB 4.19Å; L419-C440 HydrophobicContact CD1-CB 4.1Å; R434-C440 CarbonylContact O-C 3.53Å; R434-C440 VanDerWaalsContact O-CA 3.29Å; R434-C440 WeakPolarHBondContact O-CA 3.39Å; G437-C440 PolarHBondContact O-SG 2.97Å; G437-C440 VanDerWaalsContact O-SG 3.36Å; T438-C440 VanDerWaalsContact C-N 3.26Å; T438-C440 PolarHBondContact O-N 2.76Å; C440-F474 HydrophobicContact CB-CB 4.29Å; C440-F474 HydrophobicContact CB-CD2 3.94Å; C440-F474 HydrophobicContact CB-CG 4.43Å; C440-F474 WeakPolarHBondContact O-CD2 3.43Å; C440-F474 PolarHBondContact O-N 3.3Å
441	S	98.9	Very high	98.7	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	168.7	170	61.8	0	0	0	0	112.4	D301 R434 I472	D301-S441 WeakPolarHBondContact CB-OG 3.5Å; R434-S441 VanDerWaalsContact CG-OG 3.27Å; R434-S441 WeakPolarHBondContact CG-OG 3.4Å; R434-S441 VanDerWaalsContact CZ-OG 3.32Å; R434-S441 PolarHBondContact N-O 3.17Å; R434-S441 PolarHBondContact NE-OG 3.35Å; R434-S441 PolarHBondContact O-N 2.79Å; R434-S441 VanDerWaalsContact O-O 3.13Å; S441-I472 CarbonylContact C-O 3.35Å; S441-I472 WeakPolarHBondContact CA-O 3.5Å; S441-I472 VanDerWaalsContact CB-O 3.23Å; S441-I472 WeakPolarHBondContact CB-O 3.43Å
442	F	98.9	Very high	98.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	164.7	165.8	65.4	-97.4	0	0	0	110.6	L419 I430 V433 T444 S471 I472 F474 F492	L419-F442 HydrophobicContact CD2-CD1 3.98Å; L419-F442 HydrophobicContact CD2-CE1 4.04Å; I430-F442 HydrophobicContact CB-CD2 4.42Å; I430-F442 HydrophobicContact CG1-CD2 4.2Å; I430-F442 HydrophobicContact CG1-CE2 4.06Å; I430-F442 HydrophobicContact CG2-CB 4.02Å; I430-F442 HydrophobicContact CG2-CD2 3.91Å; I430-F442 HydrophobicContact CG2-CG 3.96Å; V433-F442 HydrophobicContact CG2-CB 3.75Å; F442-T444 HydrophobicContact CD2-CG2 4.45Å; F442-T444 HydrophobicContact CE2-CG2 3.92Å; F442-S471 VanDerWaalsContact O-CA 3.29Å; F442-S471 WeakPolarHBondContact O-CA 3.3Å; F442-S471 WeakPolarHBondContact O-CB 3.34Å; F442-I472 HydrophobicContact CE1-CB 4.04Å; F442-I472 HydrophobicContact CE1-CG2 4.09Å; F442-I472 HydrophobicContact CE2-CB 4.06Å; F442-I472 HydrophobicContact CE2-CD1 3.99Å; F442-I472 HydrophobicContact CE2-CG1 4.21Å; F442-I472 HydrophobicContact CZ-CB 3.76Å; F442-I472 HydrophobicContact CZ-CD1 3.75Å; F442-I472 HydrophobicContact CZ-CG1 4.15Å; F442-I472 HydrophobicContact CZ-CG2 4.07Å; F442-I472 PolarHBondContact N-O 3.4Å; F442-I472 PolarHBondContact O-N 3.33Å; F442-F474 AromaticContact CD1-CE2 3.91Å; F442-F474 HydrophobicContact CD1-CE2 3.91Å; F442-F474 HydrophobicContact CD1-CZ 4.37Å; F442-F474 AromaticContact CE1-CE2 3.87Å; F442-F474 HydrophobicContact CE1-CE2 3.87Å; F442-F474 AromaticContact CE1-CZ 3.89Å; F442-F474 HydrophobicContact CE1-CZ 3.89Å; F442-F492 HydrophobicContact CE1-CE1 4.19Å; F442-F492 AromaticContact CZ-CE1 3.72Å; F442-F492 HydrophobicContact CZ-CE1 3.72Å; F442-F492 AromaticContact CZ-CZ 3.77Å; F442-F492 HydrophobicContact CZ-CZ 3.77Å
443	D	98.9	Very high	98.7	Very high	4 Å²	4	31.6 Å²	31.6	2%	0.021	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	138.2	177.8	-65.2	2	0	0	0	110.8	S431 R432 R434 S471	S431-D443 PolarHBondContact N-O 3.39Å; S431-D443 PolarHBondContact O-N 3.39Å; S431-D443 PolarHBondContact OG-O 2.97Å; R432-D443 WeakPolarHBondContact CD-OD2 3.29Å; R432-D443 IonicContact CZ-OD2 3Å; R432-D443 IonicContact NE-OD2 2.74Å; R432-D443 IonicContact NH1-OD2 3.86Å; R432-D443 PolarHBondContact NH1-OD2 3.33Å; R434-D443 IonicContact CZ-OD1 2.83Å; R434-D443 IonicContact NH1-OD1 3.51Å; R434-D443 PolarHBondContact NH1-OD1 3.37Å; R434-D443 IonicContact NH1-OD2 3.89Å; R434-D443 IonicContact NH2-OD1 3.88Å; R434-D443 PolarHBondContact NH2-OD1 3.12Å; D443-S471 PolarHBondContact OD1-OG 3.33Å
444	T	98.9	Very high	98.7	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.177	C	C	.	.			trans	-91.9	169.2	166.1	60.1	0	0	0	0	110.4	F429 F442 D446 I449 R450 L453 K470 I472	F429-T444 WeakPolarHBondContact O-CA 3.48Å; F442-T444 HydrophobicContact CD2-CG2 4.45Å; F442-T444 HydrophobicContact CE2-CG2 3.92Å; T444-D446 VanDerWaalsContact C-N 3.34Å; T444-D446 PolarHBondContact O-N 2.96Å; T444-D446 PolarHBondContact OG1-O 2.78Å; T444-I449 HydrophobicContact CG2-CG2 4.23Å; T444-R450 HydrophobicContact CG2-CB 4.37Å; T444-R450 WeakPolarHBondContact OG1-CB 3.33Å; T444-L453 HydrophobicContact CG2-CD1 3.9Å; T444-K470 PolarHBondContact N-O 3.45Å; T444-K470 PolarHBondContact O-NZ 2.88Å; T444-K470 PolarHBondContact OG1-O 2.9Å; T444-I472 HydrophobicContact CG2-CD1 4.26Å; T444-I472 HydrophobicContact CG2-CG1 4.43Å
445	P	98.5	Very high	98.7	Very high	57 Å²	57	35.3 Å²	35.3	37%	0.37	19%	0.194	S	C	.	.	S	Bend	trans	-58.6	-45.8	178.7	-26.6	36.2	0	0	0	112.5	Q428 F429 I449 K470	Q428-P445 WeakPolarHBondContact O-CG 3.25Å; F429-P445 WeakPolarHBondContact O-CD 3.39Å; P445-I449 HydrophobicContact CB-CD1 4.07Å; P445-I449 HydrophobicContact CG-CD1 3.88Å; P445-K470 WeakPolarHBondContact O-CD 3.36Å; P445-K470 PolarHBondContact O-NZ 2.81Å
446	D	98.4	Very high	98.7	Very high	62 Å²	62	36.8 Å²	36.8	33%	0.332	20%	0.196	S	C	.	.	S	Bend	trans	-146.1	175.9	-178.1	59.5	65.4	0	0	0	112.2	T444 S448 I449 R450	T444-D446 VanDerWaalsContact C-N 3.34Å; T444-D446 PolarHBondContact O-N 2.96Å; T444-D446 PolarHBondContact OG1-O 2.78Å; D446-S448 WeakPolarHBondContact OD1-CA 3.35Å; D446-S448 WeakPolarHBondContact OD1-CB 3.39Å; D446-S448 PolarHBondContact OD1-N 3.43Å; D446-I449 PolarHBondContact OD1-N 3.09Å; D446-R450 PolarHBondContact O-N 3.25Å
447	D	97.6	Very high	98.7	Very high	91 Å²	91	33.7 Å²	33.7	49%	0.487	19%	0.185	S	C	.	.	H	α-helix	trans	-71.6	-32.6	-177.9	67.6	-35.1	0	0	0	113.4	R450 N451 D469	D447-R450 WeakPolarHBondContact O-CB 3.28Å; D447-R450 PolarHBondContact O-N 2.79Å; D447-N451 WeakPolarHBondContact O-CB 3.46Å; D447-N451 PolarHBondContact O-N 2.87Å; D447-N451 PolarHBondContact O-ND2 2.96Å; D447-N451 PolarHBondContact O-OD1 3.1Å; D447-D469 WeakPolarHBondContact CB-O 3.34Å
448	S	98.1	Very high	98.7	Very high	77 Å²	77	34.6 Å²	34.6	54%	0.538	18%	0.183	S	C	.	.	H	α-helix	trans	-63.5	-48.7	176.3	-177.6	0	0	0	0	111.1	D446 R450 N451 K452	D446-S448 WeakPolarHBondContact OD1-CA 3.35Å; D446-S448 WeakPolarHBondContact OD1-CB 3.39Å; D446-S448 PolarHBondContact OD1-N 3.43Å; S448-R450 VanDerWaalsContact C-N 3.32Å; S448-R450 PolarHBondContact O-N 2.94Å; S448-N451 PolarHBondContact O-N 3.36Å; S448-K452 WeakPolarHBondContact O-CB 3.17Å; S448-K452 PolarHBondContact O-N 2.98Å
449	I	98.4	Very high	98.6	Very high	34 Å²	34	37.2 Å²	37.2	17%	0.174	20%	0.197	C	C	.	.	H	α-helix	trans	-61.2	-43	174	-68.9	175.9	0	0	0	110.3	T444 P445 D446 N451 K452 L453 F499	T444-I449 HydrophobicContact CG2-CG2 4.23Å; P445-I449 HydrophobicContact CB-CD1 4.07Å; P445-I449 HydrophobicContact CG-CD1 3.88Å; D446-I449 PolarHBondContact OD1-N 3.09Å; I449-N451 PolarHBondContact O-N 3.49Å; I449-K452 PolarHBondContact O-N 3.46Å; I449-L453 HydrophobicContact CG2-CD1 3.78Å; I449-L453 HydrophobicContact CG2-CG 4.26Å; I449-L453 WeakPolarHBondContact O-CB 3.42Å; I449-L453 WeakPolarHBondContact O-CG 3.42Å; I449-L453 PolarHBondContact O-N 2.97Å; I449-F499 HydrophobicContact CG2-CE1 3.88Å; I449-F499 HydrophobicContact CG2-CZ 4.02Å
450	R	98.8	Very high	98.6	Very high	28 Å²	28	43 Å²	43	11%	0.106	22%	0.222	C	C	.	.	H	α-helix	trans	-54.4	-53.5	175.6	-165.2	-81.4	-57.9	-68.5	-14.9	110.9	T444 D446 D447 S448 K452 L453 I454 C467 D469 S471 I472	T444-R450 HydrophobicContact CG2-CB 4.37Å; T444-R450 WeakPolarHBondContact OG1-CB 3.33Å; D446-R450 PolarHBondContact O-N 3.25Å; D447-R450 WeakPolarHBondContact O-CB 3.28Å; D447-R450 PolarHBondContact O-N 2.79Å; S448-R450 VanDerWaalsContact C-N 3.32Å; S448-R450 PolarHBondContact O-N 2.94Å; R450-K452 PolarHBondContact O-N 3.07Å; R450-L453 PolarHBondContact O-N 3.11Å; R450-I454 WeakPolarHBondContact O-CG1 3.44Å; R450-I454 PolarHBondContact O-N 2.95Å; R450-I454 VanDerWaalsContact O-N 3.09Å; R450-C467 PolarHBondContact NH1-O 3.17Å; R450-D469 PolarHBondContact NH1-O 3.33Å; R450-D469 PolarHBondContact NH2-O 3.34Å; R450-S471 WeakPolarHBondContact CG-O 3.4Å; R450-S471 PolarHBondContact NH1-O 3.46Å; R450-I472 HydrophobicContact CG-CG1 3.8Å
451	N	98.5	Very high	98.6	Very high	83 Å²	83	43 Å²	43	44%	0.444	22%	0.222	S	C	.	.	H	α-helix	trans	-63.8	-41.9	-177.5	-65.2	-15.6	0	0	0	111.3	D447 S448 I449 I454 L455	D447-N451 WeakPolarHBondContact O-CB 3.46Å; D447-N451 PolarHBondContact O-N 2.87Å; D447-N451 PolarHBondContact O-ND2 2.96Å; D447-N451 PolarHBondContact O-OD1 3.1Å; S448-N451 PolarHBondContact O-N 3.36Å; I449-N451 PolarHBondContact O-N 3.49Å; N451-I454 PolarHBondContact O-N 3.39Å; N451-L455 WeakPolarHBondContact O-CB 3.43Å; N451-L455 PolarHBondContact O-N 3.39Å
452	K	98.5	Very high	98.6	Very high	104 Å²	104	43 Å²	43	45%	0.452	22%	0.222	S	C	.	.	H	α-helix	trans	-64.6	-44.7	178.8	-168.7	179.9	176.4	-170.4	0	112	S448 I449 R450 L455 I456 F499	S448-K452 WeakPolarHBondContact O-CB 3.17Å; S448-K452 PolarHBondContact O-N 2.98Å; I449-K452 PolarHBondContact O-N 3.46Å; R450-K452 PolarHBondContact O-N 3.07Å; K452-L455 PolarHBondContact O-N 2.93Å; K452-I456 HydrophobicContact CG-CD1 4.01Å; K452-I456 VanDerWaalsContact O-CG1 3.3Å; K452-I456 WeakPolarHBondContact O-CG1 3.35Å; K452-I456 PolarHBondContact O-N 2.9Å; K452-F499 HydrophobicContact CB-CE2 4.41Å; K452-F499 HydrophobicContact CB-CZ 4.39Å; K452-F499 HydrophobicContact CD-CE2 3.85Å; K452-F499 HydrophobicContact CD-CZ 3.91Å; K452-F499 HydrophobicContact CG-CE2 3.96Å; K452-F499 HydrophobicContact CG-CZ 4.27Å
453	L	98.8	Very high	98.6	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-62.9	-42.3	176.5	-76.4	172	0	0	0	111.9	T444 I449 R450 L455 I456 A457 I472 F492 I495 L496 F499	T444-L453 HydrophobicContact CG2-CD1 3.9Å; I449-L453 HydrophobicContact CG2-CD1 3.78Å; I449-L453 HydrophobicContact CG2-CG 4.26Å; I449-L453 WeakPolarHBondContact O-CB 3.42Å; I449-L453 WeakPolarHBondContact O-CG 3.42Å; I449-L453 PolarHBondContact O-N 2.97Å; R450-L453 PolarHBondContact O-N 3.11Å; L453-L455 PolarHBondContact O-N 2.85Å; L453-I456 PolarHBondContact O-N 3.36Å; L453-A457 VanDerWaalsContact O-CB 3.25Å; L453-A457 WeakPolarHBondContact O-CB 3.31Å; L453-A457 PolarHBondContact O-N 3.24Å; L453-I472 HydrophobicContact CB-CD1 3.96Å; L453-I472 HydrophobicContact CD1-CD1 4.42Å; L453-F492 HydrophobicContact CD1-CZ 4.42Å; L453-F492 HydrophobicContact CD2-CE2 4.47Å; L453-F492 HydrophobicContact CD2-CZ 4.35Å; L453-I495 HydrophobicContact CD2-CG2 3.93Å; L453-L496 HydrophobicContact CD2-CD2 4.32Å; L453-F499 HydrophobicContact CD2-CD1 4.32Å; L453-F499 HydrophobicContact CD2-CD2 3.58Å; L453-F499 HydrophobicContact CD2-CE1 4.28Å; L453-F499 HydrophobicContact CD2-CE2 3.53Å; L453-F499 HydrophobicContact CD2-CG 3.99Å; L453-F499 HydrophobicContact CD2-CZ 3.9Å; L453-F499 HydrophobicContact CG-CD2 4.4Å; L453-F499 HydrophobicContact CG-CE1 4.35Å; L453-F499 HydrophobicContact CG-CE2 3.86Å; L453-F499 HydrophobicContact CG-CZ 3.83Å
454	I	98.8	Very high	98.6	Very high	23 Å²	23	43.4 Å²	43.4	12%	0.118	23%	0.225	C	C	.	.	H	α-helix	trans	-60.8	-45.1	174.7	-70	-179.6	0	0	0	110.9	R450 N451 A457 R458 L464 I472	R450-I454 WeakPolarHBondContact O-CG1 3.44Å; R450-I454 PolarHBondContact O-N 2.95Å; R450-I454 VanDerWaalsContact O-N 3.09Å; N451-I454 PolarHBondContact O-N 3.39Å; I454-A457 PolarHBondContact O-N 3.1Å; I454-R458 WeakPolarHBondContact O-CB 3.28Å; I454-R458 PolarHBondContact O-N 3Å; I454-L464 HydrophobicContact CG1-CB 4.24Å; I454-I472 HydrophobicContact CD1-CG1 4.37Å; I454-I472 HydrophobicContact CG1-CD1 4.04Å; I454-I472 HydrophobicContact CG1-CG1 4.19Å
455	L	98.6	Very high	98.6	Very high	73 Å²	73	43.5 Å²	43.5	38%	0.382	23%	0.226	S	C	.	.	H	α-helix	trans	-63.7	-45.2	179.7	-179.6	64.8	0	0	0	112	N451 K452 L453 R458 N459	N451-L455 WeakPolarHBondContact O-CB 3.43Å; N451-L455 PolarHBondContact O-N 3.39Å; K452-L455 PolarHBondContact O-N 2.93Å; L453-L455 PolarHBondContact O-N 2.85Å; L455-R458 PolarHBondContact O-N 3.37Å; L455-N459 PolarHBondContact O-N 3.45Å
456	I	98.8	Very high	98.6	Very high	52 Å²	52	42 Å²	42	27%	0.267	22%	0.22	S	C	.	.	H	α-helix	trans	-64	-46.5	177.6	-65.6	168	0	0	0	110.4	K452 L453 R458 N459 K460 I495 F499	K452-I456 HydrophobicContact CG-CD1 4.01Å; K452-I456 VanDerWaalsContact O-CG1 3.3Å; K452-I456 WeakPolarHBondContact O-CG1 3.35Å; K452-I456 PolarHBondContact O-N 2.9Å; L453-I456 PolarHBondContact O-N 3.36Å; I456-R458 VanDerWaalsContact C-N 3.28Å; I456-R458 PolarHBondContact O-N 3.01Å; I456-N459 PolarHBondContact O-N 3.29Å; I456-K460 HydrophobicContact CG2-CG 4.34Å; I456-K460 WeakPolarHBondContact O-CB 3.33Å; I456-K460 WeakPolarHBondContact O-CG 3.41Å; I456-K460 PolarHBondContact O-N 3.46Å; I456-I495 HydrophobicContact CB-CG2 4.44Å; I456-I495 HydrophobicContact CG2-CB 4.46Å; I456-I495 HydrophobicContact CG2-CD1 4.1Å; I456-I495 HydrophobicContact CG2-CG1 3.91Å; I456-I495 HydrophobicContact CG2-CG2 3.79Å; I456-F499 HydrophobicContact CD1-CD2 3.86Å; I456-F499 HydrophobicContact CD1-CE2 3.74Å
457	A	98.8	Very high	98.6	Very high	1 Å²	1	39 Å²	39	1%	0.008	21%	0.205	C	C	.	.	H	α-helix	trans	-57.9	-42.5	177.8	0	0	0	0	0	111.7	L453 I454 K460 G461 V462 L464 I495	L453-A457 VanDerWaalsContact O-CB 3.25Å; L453-A457 WeakPolarHBondContact O-CB 3.31Å; L453-A457 PolarHBondContact O-N 3.24Å; I454-A457 PolarHBondContact O-N 3.1Å; A457-K460 CarbonylContact O-C 3.6Å; A457-K460 WeakPolarHBondContact O-CA 3.16Å; A457-K460 PolarHBondContact O-N 2.8Å; A457-K460 VanDerWaalsContact O-N 3.1Å; A457-G461 PolarHBondContact O-N 3.49Å; A457-V462 CarbonylContact C-O 3.54Å; A457-V462 PolarHBondContact O-N 3.07Å; A457-L464 HydrophobicContact CB-CD1 3.73Å; A457-L464 HydrophobicContact CB-CG 4.36Å; A457-I495 HydrophobicContact CB-CD1 4.04Å
458	R	98.8	Very high	98.5	Very high	34 Å²	34	35.1 Å²	35.1	13%	0.128	19%	0.186	C	C	.	.	H	α-helix	trans	-62.3	-46.4	176.3	-178.6	172.1	48.9	172.6	-7.7	112.3	M46 V50 M93 I454 L455 I456 K460 G461 V462	M46-R458 WeakPolarHBondContact CE-O 3.31Å; V50-R458 HydrophobicContact CB-CG 4.01Å; V50-R458 HydrophobicContact CG1-CG 4Å; V50-R458 HydrophobicContact CG2-CG 4.45Å; M93-R458 HydrophobicContact SD-CG 3.93Å; I454-R458 WeakPolarHBondContact O-CB 3.28Å; I454-R458 PolarHBondContact O-N 3Å; L455-R458 PolarHBondContact O-N 3.37Å; I456-R458 VanDerWaalsContact C-N 3.28Å; I456-R458 PolarHBondContact O-N 3.01Å; R458-K460 PolarHBondContact O-N 3.31Å; R458-G461 PolarHBondContact O-N 3.18Å; R458-V462 WeakPolarHBondContact CA-O 3.43Å; R458-V462 PolarHBondContact N-O 3.43Å; R458-V462 VanDerWaalsContact N-O 3.11Å
459	N	98.6	Very high	98.3	Very high	58 Å²	58	37.4 Å²	37.4	31%	0.31	19%	0.192	S	C	.	.	H	α-helix	trans	-67.6	-17.7	175.2	-74.7	-21.9	0	0	0	113.3	V50 L455 I456	V50-N459 PolarHBondContact N-OD1 3.02Å; L455-N459 PolarHBondContact O-N 3.45Å; I456-N459 PolarHBondContact O-N 3.29Å
460	K	98.7	Very high	98.3	Very high	121 Å²	121	38.9 Å²	38.9	53%	0.526	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	4.4	170.2	-69.2	-74	-172.7	170.9	0	113.3	I456 A457 R458 I491 I495	I456-K460 HydrophobicContact CG2-CG 4.34Å; I456-K460 WeakPolarHBondContact O-CB 3.33Å; I456-K460 WeakPolarHBondContact O-CG 3.41Å; I456-K460 PolarHBondContact O-N 3.46Å; A457-K460 CarbonylContact O-C 3.6Å; A457-K460 WeakPolarHBondContact O-CA 3.16Å; A457-K460 PolarHBondContact O-N 2.8Å; A457-K460 VanDerWaalsContact O-N 3.1Å; R458-K460 PolarHBondContact O-N 3.31Å; K460-I491 HydrophobicContact CB-CG2 3.91Å; K460-I495 HydrophobicContact CB-CD1 4.11Å; K460-I495 HydrophobicContact CG-CD1 4.06Å; K460-I495 HydrophobicContact CG-CG1 4.13Å
461	G	98.7	Very high	98.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.8	20	173.5	0	0	0	0	0	116.2	P44 M46 M93 L94 A457 R458	P44-G461 WeakPolarHBondContact CB-O 3.14Å; M46-G461 WeakPolarHBondContact SD-CA 3.46Å; M93-G461 CarbonylContact C-O 3.23Å; M93-G461 VanDerWaalsContact CA-O 3.28Å; M93-G461 WeakPolarHBondContact CA-O 3.31Å; L94-G461 PolarHBondContact N-O 3.28Å; A457-G461 PolarHBondContact O-N 3.49Å; R458-G461 PolarHBondContact O-N 3.18Å
462	V	98.9	Very high	98.3	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.006	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	122.7	177	-174.4	0	0	0	0	111.5	L94 L96 A457 R458 L464 F488 I491	L94-V462 HydrophobicContact CB-CG2 4.44Å; L94-V462 CarbonylContact O-C 3.49Å; L94-V462 WeakPolarHBondContact O-CA 3.43Å; L96-V462 HydrophobicContact CD1-CG1 3.8Å; L96-V462 HydrophobicContact CG-CG1 4.1Å; A457-V462 CarbonylContact C-O 3.54Å; A457-V462 PolarHBondContact O-N 3.07Å; R458-V462 WeakPolarHBondContact CA-O 3.43Å; R458-V462 PolarHBondContact N-O 3.43Å; R458-V462 VanDerWaalsContact N-O 3.11Å; V462-L464 HydrophobicContact CG1-CD2 3.97Å; V462-L464 HydrophobicContact CG1-CG 4.17Å; V462-F488 HydrophobicContact CG1-CD2 3.98Å; V462-I491 HydrophobicContact CG2-CD1 3.97Å; V462-I491 HydrophobicContact CG2-CG2 4.24Å
463	V	98.8	Very high	98.3	Very high	8 Å²	8	29.1 Å²	29.1	5%	0.048	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	121.4	174	-175.4	0	0	0	0	109.7	F73 M93 L94 L96	F73-V463 HydrophobicContact CZ-CG2 4.23Å; M93-V463 HydrophobicContact CB-CG2 3.8Å; M93-V463 HydrophobicContact CG-CG2 4.43Å; M93-V463 HydrophobicContact SD-CG2 3.89Å; L94-V463 PolarHBondContact O-N 2.97Å; L96-V463 WeakPolarHBondContact CA-O 3.02Å; L96-V463 WeakPolarHBondContact CB-O 3.21Å; L96-V463 PolarHBondContact N-O 3.49Å
464	L	98.9	Very high	98.3	Very high	4 Å²	4	29.1 Å²	29.1	2%	0.021	15%	0.152	C	C	.	.			trans	-119.1	150.3	176.7	-61.6	176.1	0	0	0	110.6	L96 I454 A457 V462 I472 F474 F488 F492	L96-L464 HydrophobicContact CB-CD2 4.19Å; L96-L464 HydrophobicContact CD1-CD2 4.02Å; I454-L464 HydrophobicContact CG1-CB 4.24Å; A457-L464 HydrophobicContact CB-CD1 3.73Å; A457-L464 HydrophobicContact CB-CG 4.36Å; V462-L464 HydrophobicContact CG1-CD2 3.97Å; V462-L464 HydrophobicContact CG1-CG 4.17Å; L464-I472 HydrophobicContact CB-CG2 4.19Å; L464-I472 HydrophobicContact CD1-CG2 4.06Å; L464-F474 HydrophobicContact CD2-CD1 4.02Å; L464-F474 HydrophobicContact CD2-CE1 3.56Å; L464-F474 HydrophobicContact CD2-CZ 4.33Å; L464-F488 HydrophobicContact CD1-CE2 4.28Å; L464-F488 HydrophobicContact CD2-CE2 4.09Å; L464-F492 HydrophobicContact CD1-CE2 4.22Å
465	G	98	Very high	98.3	Very high	3 Å²	3	28.1 Å²	28.1	3%	0.031	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	147.7	174.3	0	0	0	0	0	112.5	R473	G465-R473 PolarHBondContact N-O 3.5Å; G465-R473 VanDerWaalsContact O-CG 3.3Å; G465-R473 WeakPolarHBondContact O-CG 3.47Å; G465-R473 PolarHBondContact O-N 3.46Å
466	G	98.4	Very high	98.3	Very high	24 Å²	24	24.7 Å²	24.7	25%	0.247	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	149.1	165.9	0	0	0	0	0	112	S471 R473	G466-S471 WeakPolarHBondContact CA-O 3.46Å; G466-R473 PolarHBondContact O-NE 2.93Å; G466-R473 PolarHBondContact O-NH2 2.99Å
467	C	98.4	Very high	98.3	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	167.6	168.7	58.4	0	0	0	0	110.7	D301 R450 S471 R473	D301-C467 PolarHBondContact OD2-SG 3.37Å; R450-C467 PolarHBondContact NH1-O 3.17Å; C467-S471 PolarHBondContact N-O 2.9Å; C467-S471 VanDerWaalsContact N-O 3.12Å; C467-S471 WeakPolarHBondContact O-CB 3.48Å; C467-S471 PolarHBondContact O-N 3.04Å; C467-S471 VanDerWaalsContact O-N 3.16Å; C467-S471 VanDerWaalsContact SG-CB 3.59Å; C467-R473 HydrophobicContact CB-CG 4.26Å
468	G	96.6	Very high	98.3	Very high	9 Å²	9	22.3 Å²	22.3	9%	0.093	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	-147.9	-171.1	0	0	0	0	0	111.4	K231 E298	K231-G468 WeakPolarHBondContact CE-O 3.34Å; E298-G468 PolarHBondContact O-N 3.45Å; E298-G468 VanDerWaalsContact O-N 3.1Å
469	D	93.2	Very high	98.3	Very high	126 Å²	126	21.3 Å²	21.3	67%	0.674	11%	0.114	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-45.1	177.2	-53.4	-32.1	0	0	0	110.7	D447 R450	D447-D469 WeakPolarHBondContact CB-O 3.34Å; R450-D469 PolarHBondContact NH1-O 3.33Å; R450-D469 PolarHBondContact NH2-O 3.34Å
470	K	98.3	Very high	98.3	Very high	65 Å²	65	18.6 Å²	18.6	28%	0.283	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-141.1	29.4	-164.1	67.9	-160.6	-161.6	85.2	0	114.7	T444 P445	T444-K470 PolarHBondContact N-O 3.45Å; T444-K470 PolarHBondContact O-NZ 2.88Å; T444-K470 PolarHBondContact OG1-O 2.9Å; P445-K470 WeakPolarHBondContact O-CD 3.36Å; P445-K470 PolarHBondContact O-NZ 2.81Å
471	S	98.9	Very high	98.3	Very high	6 Å²	6	15.6 Å²	15.6	4%	0.042	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	147.4	177.5	-53	0	0	0	0	112	F442 D443 R450 G466 C467	F442-S471 VanDerWaalsContact O-CA 3.29Å; F442-S471 WeakPolarHBondContact O-CA 3.3Å; F442-S471 WeakPolarHBondContact O-CB 3.34Å; D443-S471 PolarHBondContact OD1-OG 3.33Å; R450-S471 WeakPolarHBondContact CG-O 3.4Å; R450-S471 PolarHBondContact NH1-O 3.46Å; G466-S471 WeakPolarHBondContact CA-O 3.46Å; C467-S471 PolarHBondContact N-O 2.9Å; C467-S471 VanDerWaalsContact N-O 3.12Å; C467-S471 WeakPolarHBondContact O-CB 3.48Å; C467-S471 PolarHBondContact O-N 3.04Å; C467-S471 VanDerWaalsContact O-N 3.16Å; C467-S471 VanDerWaalsContact SG-CB 3.59Å
472	I	98.9	Very high	98.1	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	134.7	167.3	-63.1	-175	0	0	0	107.6	S441 F442 T444 R450 L453 I454 L464 F474	S441-I472 CarbonylContact C-O 3.35Å; S441-I472 WeakPolarHBondContact CA-O 3.5Å; S441-I472 VanDerWaalsContact CB-O 3.23Å; S441-I472 WeakPolarHBondContact CB-O 3.43Å; F442-I472 HydrophobicContact CE1-CB 4.04Å; F442-I472 HydrophobicContact CE1-CG2 4.09Å; F442-I472 HydrophobicContact CE2-CB 4.06Å; F442-I472 HydrophobicContact CE2-CD1 3.99Å; F442-I472 HydrophobicContact CE2-CG1 4.21Å; F442-I472 HydrophobicContact CZ-CB 3.76Å; F442-I472 HydrophobicContact CZ-CD1 3.75Å; F442-I472 HydrophobicContact CZ-CG1 4.15Å; F442-I472 HydrophobicContact CZ-CG2 4.07Å; F442-I472 PolarHBondContact N-O 3.4Å; F442-I472 PolarHBondContact O-N 3.33Å; T444-I472 HydrophobicContact CG2-CD1 4.26Å; T444-I472 HydrophobicContact CG2-CG1 4.43Å; R450-I472 HydrophobicContact CG-CG1 3.8Å; L453-I472 HydrophobicContact CB-CD1 3.96Å; L453-I472 HydrophobicContact CD1-CD1 4.42Å; I454-I472 HydrophobicContact CD1-CG1 4.37Å; I454-I472 HydrophobicContact CG1-CD1 4.04Å; I454-I472 HydrophobicContact CG1-CG1 4.19Å; L464-I472 HydrophobicContact CB-CG2 4.19Å; L464-I472 HydrophobicContact CD1-CG2 4.06Å; I472-F474 HydrophobicContact CG2-CE2 4.48Å; I472-F474 HydrophobicContact CG2-CZ 4.4Å
473	R	98.9	Very high	97.9	Very high	3 Å²	3	19 Å²	19	1%	0.011	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	153.2	-175.8	57.2	170.2	168.1	-173.9	0.4	112.7	Y97 E298 G465 G466 C467	Y97-R473 PolarHBondContact OH-NH2 2.9Å; E298-R473 IonicContact OE1-CZ 3.04Å; E298-R473 VanDerWaalsContact OE1-CZ 3.28Å; E298-R473 IonicContact OE1-NH1 3.14Å; E298-R473 PolarHBondContact OE1-NH1 3.29Å; E298-R473 IonicContact OE1-NH2 3.92Å; E298-R473 PolarHBondContact OE1-NH2 2.83Å; E298-R473 IonicContact OE2-CZ 2.73Å; E298-R473 IonicContact OE2-NH1 2.93Å; E298-R473 IonicContact OE2-NH2 3.77Å; E298-R473 PolarHBondContact OE2-NH2 3.35Å; G465-R473 PolarHBondContact N-O 3.5Å; G465-R473 VanDerWaalsContact O-CG 3.3Å; G465-R473 WeakPolarHBondContact O-CG 3.47Å; G465-R473 PolarHBondContact O-N 3.46Å; G466-R473 PolarHBondContact O-NE 2.93Å; G466-R473 PolarHBondContact O-NH2 2.99Å; C467-R473 HydrophobicContact CB-CG 4.26Å
474	F	98.9	Very high	97.9	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	122.9	179.8	-58.4	-88.9	0	0	0	109	L96 L415 L419 C440 F442 L464 I472 F488	L96-F474 HydrophobicContact CB-CD1 4.35Å; L96-F474 HydrophobicContact CD1-CD1 3.98Å; L96-F474 HydrophobicContact CD1-CE1 4.18Å; L415-F474 HydrophobicContact CD1-CD1 4.45Å; L415-F474 HydrophobicContact CD1-CE1 4.46Å; L415-F474 HydrophobicContact CD2-CB 3.99Å; L415-F474 HydrophobicContact CD2-CD1 4.19Å; L415-F474 HydrophobicContact CD2-CG 4Å; L419-F474 HydrophobicContact CD1-CD2 4.09Å; L419-F474 HydrophobicContact CD1-CE2 3.68Å; L419-F474 HydrophobicContact CD1-CZ 4.21Å; L419-F474 HydrophobicContact CD2-CE2 4.11Å; L419-F474 HydrophobicContact CD2-CZ 3.97Å; C440-F474 HydrophobicContact CB-CB 4.29Å; C440-F474 HydrophobicContact CB-CD2 3.94Å; C440-F474 HydrophobicContact CB-CG 4.43Å; C440-F474 WeakPolarHBondContact O-CD2 3.43Å; C440-F474 PolarHBondContact O-N 3.3Å; F442-F474 AromaticContact CD1-CE2 3.91Å; F442-F474 HydrophobicContact CD1-CE2 3.91Å; F442-F474 HydrophobicContact CD1-CZ 4.37Å; F442-F474 AromaticContact CE1-CE2 3.87Å; F442-F474 HydrophobicContact CE1-CE2 3.87Å; F442-F474 AromaticContact CE1-CZ 3.89Å; F442-F474 HydrophobicContact CE1-CZ 3.89Å; L464-F474 HydrophobicContact CD2-CD1 4.02Å; L464-F474 HydrophobicContact CD2-CE1 3.56Å; L464-F474 HydrophobicContact CD2-CZ 4.33Å; I472-F474 HydrophobicContact CG2-CE2 4.48Å; I472-F474 HydrophobicContact CG2-CZ 4.4Å; F474-F488 HydrophobicContact CE1-CD1 4.1Å; F474-F488 HydrophobicContact CE1-CD2 4.41Å; F474-F488 AromaticContact CE1-CE1 3.47Å; F474-F488 HydrophobicContact CE1-CE1 3.47Å; F474-F488 VanDerWaalsContact CE1-CE1 3.47Å; F474-F488 AromaticContact CE1-CE2 3.81Å; F474-F488 HydrophobicContact CE1-CE2 3.81Å; F474-F488 AromaticContact CE1-CZ 3.31Å; F474-F488 HydrophobicContact CE1-CZ 3.31Å; F474-F488 AromaticContact CZ-CE1 3.71Å; F474-F488 HydrophobicContact CZ-CE1 3.71Å; F474-F488 HydrophobicContact CZ-CE2 4.23Å; F474-F488 AromaticContact CZ-CZ 3.42Å; F474-F488 HydrophobicContact CZ-CZ 3.42Å; F474-F488 VanDerWaalsContact CZ-CZ 3.42Å
475	R	98.9	Very high	97.9	Very high	3 Å²	3	18.4 Å²	18.4	1%	0.011	10%	0.099	C	C	.	.			trans	-132.2	64.4	171.9	-59	-64.2	-177.4	-89.5	-3.7	109.3	L96 Y97 S98 D301 Q329 F439	L96-R475 CarbonylContact C-O 3.35Å; L96-R475 CarbonylContact O-C 3.51Å; L96-R475 VanDerWaalsContact O-C 3.28Å; L96-R475 WeakPolarHBondContact O-CA 3.32Å; L96-R475 PolarHBondContact O-N 2.87Å; Y97-R475 CarbonylContact C-O 3.59Å; S98-R475 VanDerWaalsContact CB-O 3.28Å; S98-R475 WeakPolarHBondContact CB-O 3.46Å; S98-R475 PolarHBondContact OG-O 3.28Å; D301-R475 IonicContact OD1-CZ 3.53Å; D301-R475 VanDerWaalsContact OD1-CZ 3.25Å; D301-R475 IonicContact OD1-NH1 3.32Å; D301-R475 PolarHBondContact OD1-NH1 3.26Å; D301-R475 IonicContact OD1-NH2 3.3Å; D301-R475 PolarHBondContact OD1-NH2 3.34Å; D301-R475 IonicContact OD2-CZ 2.62Å; D301-R475 IonicContact OD2-NH1 3.09Å; D301-R475 IonicContact OD2-NH2 3.38Å; D301-R475 PolarHBondContact OD2-NH2 3.19Å; Q329-R475 VanDerWaalsContact OE1-NE 3.15Å; F439-R475 VanDerWaalsContact CZ-NE 3.26Å
476	P	98.8	Very high	97.9	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.106	C	C	.	.			trans	-65	163.5	175.4	-15.2	31.8	0	0	0	111.4	L96 F480	L96-P476 HydrophobicContact CD2-CB 4.18Å; L96-P476 HydrophobicContact CD2-CG 4.12Å; P476-F480 HydrophobicContact CB-CB 3.49Å; P476-F480 VanDerWaalsContact CB-CB 3.49Å; P476-F480 HydrophobicContact CB-CD1 4.05Å; P476-F480 HydrophobicContact CB-CD2 3.72Å; P476-F480 HydrophobicContact CB-CE2 4.4Å; P476-F480 HydrophobicContact CB-CG 3.49Å; P476-F480 VanDerWaalsContact CB-CG 3.49Å; P476-F480 HydrophobicContact CG-CD1 4.2Å; P476-F480 HydrophobicContact CG-CD2 4.18Å; P476-F480 HydrophobicContact CG-CE1 4.41Å; P476-F480 HydrophobicContact CG-CE2 4.39Å; P476-F480 HydrophobicContact CG-CG 4.06Å; P476-F480 HydrophobicContact CG-CZ 4.47Å
477	T	98.8	Very high	97.9	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.006	11%	0.105	C	C	.	.			trans	-71.7	167.5	168.2	79.8	0	0	0	0	110.3	N83 V103 V479 F480	N83-T477 PolarHBondContact OD1-OG1 2.92Å; V103-T477 HydrophobicContact CB-CG2 4.25Å; V103-T477 HydrophobicContact CG1-CG2 4.1Å; T477-V479 PolarHBondContact O-N 3.04Å; T477-V479 WeakPolarHBondContact OG1-CG2 3.32Å; T477-V479 PolarHBondContact OG1-N 2.76Å; T477-F480 WeakPolarHBondContact O-CB 3.36Å; T477-F480 PolarHBondContact O-N 2.82Å; T477-F480 VanDerWaalsContact O-N 3.15Å
478	L	98.7	Very high	97.9	Very high	2 Å²	2	21.2 Å²	21.2	1%	0.01	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-14.8	179.2	-62.7	173.2	0	0	0	113.6	P104 G332 I399 L404 N407 A408 F480	P104-L478 VanDerWaalsContact O-CB 3.24Å; P104-L478 WeakPolarHBondContact O-CB 3.39Å; P104-L478 WeakPolarHBondContact O-CG 3.42Å; P104-L478 PolarHBondContact O-N 3.22Å; G332-L478 WeakPolarHBondContact O-CD1 3.38Å; I399-L478 HydrophobicContact CD1-CD1 3.46Å; I399-L478 VanDerWaalsContact CD1-CD1 3.46Å; I399-L478 HydrophobicContact CG1-CD1 3.59Å; L404-L478 HydrophobicContact CB-CB 4.19Å; L404-L478 HydrophobicContact CD1-CB 3.95Å; N407-L478 PolarHBondContact ND2-O 3.03Å; A408-L478 HydrophobicContact CB-CD2 4.4Å; L478-F480 VanDerWaalsContact C-N 3.27Å
479	V	98.4	Very high	98	Very high	13 Å²	13	21.4 Å²	21.4	8%	0.079	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	4.9	172.3	-60.7	0	0	0	0	112.4	N83 I105 L404 T477 R481	N83-V479 PolarHBondContact ND2-O 2.85Å; I105-V479 HydrophobicContact CB-CG1 4.24Å; L404-V479 HydrophobicContact CD1-CG1 4.27Å; T477-V479 PolarHBondContact O-N 3.04Å; T477-V479 WeakPolarHBondContact OG1-CG2 3.32Å; T477-V479 PolarHBondContact OG1-N 2.76Å; V479-R481 WeakPolarHBondContact O-CG 3.43Å
480	F	98.5	Very high	98.2	Very high	1 Å²	1	17.7 Å²	17.7	0%	0.004	9%	0.085	C	C	.	.			trans	-64.1	138.6	166.6	176.7	-95	0	0	0	110	N83 L96 N407 A411 T438 P476 T477 L478 H484 A485	N83-F480 WeakPolarHBondContact OD1-CA 3.45Å; N83-F480 PolarHBondContact OD1-N 2.9Å; L96-F480 HydrophobicContact CD2-CD2 3.71Å; L96-F480 HydrophobicContact CD2-CE2 3.46Å; L96-F480 VanDerWaalsContact CD2-CE2 3.46Å; L96-F480 HydrophobicContact CD2-CZ 4.45Å; N407-F480 PolarHBondContact ND2-O 3.42Å; A411-F480 HydrophobicContact CB-CD1 3.87Å; A411-F480 HydrophobicContact CB-CE1 4.02Å; T438-F480 HydrophobicContact CG2-CD1 3.85Å; T438-F480 HydrophobicContact CG2-CE1 4.21Å; P476-F480 HydrophobicContact CB-CB 3.49Å; P476-F480 VanDerWaalsContact CB-CB 3.49Å; P476-F480 HydrophobicContact CB-CD1 4.05Å; P476-F480 HydrophobicContact CB-CD2 3.72Å; P476-F480 HydrophobicContact CB-CE2 4.4Å; P476-F480 HydrophobicContact CB-CG 3.49Å; P476-F480 VanDerWaalsContact CB-CG 3.49Å; P476-F480 HydrophobicContact CG-CD1 4.2Å; P476-F480 HydrophobicContact CG-CD2 4.18Å; P476-F480 HydrophobicContact CG-CE1 4.41Å; P476-F480 HydrophobicContact CG-CE2 4.39Å; P476-F480 HydrophobicContact CG-CG 4.06Å; P476-F480 HydrophobicContact CG-CZ 4.47Å; T477-F480 WeakPolarHBondContact O-CB 3.36Å; T477-F480 PolarHBondContact O-N 2.82Å; T477-F480 VanDerWaalsContact O-N 3.15Å; L478-F480 VanDerWaalsContact C-N 3.27Å; F480-H484 HydrophobicContact CD2-CB 3.38Å; F480-H484 HydrophobicContact CE2-CB 3.3Å; F480-H484 HydrophobicContact CG-CB 4.23Å; F480-H484 HydrophobicContact CZ-CB 4.12Å; F480-A485 HydrophobicContact CE1-CB 3.91Å; F480-A485 VanDerWaalsContact CZ-CA 3.44Å; F480-A485 HydrophobicContact CZ-CB 3.58Å; F480-A485 VanDerWaalsContact CZ-N 3.32Å
481	R	97.6	Very high	98.2	Very high	59 Å²	59	16 Å²	16	22%	0.223	8%	0.079	C	C	.	.			trans	-134.2	169.1	-171.1	-60	-67.9	-177.8	174.9	-1.2	109.7	N407 V479 H483 H484 A485	N407-R481 WeakPolarHBondContact OD1-CD 3.31Å; N407-R481 PolarHBondContact OD1-NH1 2.89Å; V479-R481 WeakPolarHBondContact O-CG 3.43Å; R481-H483 VanDerWaalsContact C-N 3.3Å; R481-H483 PolarHBondContact O-N 2.76Å; R481-H484 PolarHBondContact N-ND1 2.79Å; R481-H484 VanDerWaalsContact N-ND1 3.17Å; R481-H484 WeakPolarHBondContact O-CA 3.22Å; R481-H484 VanDerWaalsContact O-CB 3.27Å; R481-H484 WeakPolarHBondContact O-CB 3.48Å; R481-H484 PolarHBondContact O-N 3.32Å; R481-A485 PolarHBondContact O-N 2.97Å; R481-A485 VanDerWaalsContact O-N 3.16Å
482	D	94.9	Very high	98.2	Very high	35 Å²	35	15.9 Å²	15.9	19%	0.187	8%	0.077	C	C	.	.	H	α-helix	trans	-51.7	-44.4	179.7	-66.5	18	0	0	0	113.7	A32 H410 A411 H484 A485 H486	A32-D482 HydrophobicContact CB-CB 4.37Å; H410-D482 IonicContact CD2-OD1 3.77Å; H410-D482 PolarHBondContact CD2-OD1 2.83Å; H410-D482 VanDerWaalsContact CD2-OD1 3.32Å; H410-D482 IonicContact CD2-OD2 3.93Å; H410-D482 PolarHBondContact CD2-OD2 3.32Å; H410-D482 IonicContact NE2-OD2 3.61Å; H410-D482 PolarHBondContact NE2-OD2 3.35Å; H410-D482 VanDerWaalsContact NE2-OD2 3.09Å; A411-D482 WeakPolarHBondContact CA-OD1 3.32Å; A411-D482 WeakPolarHBondContact CB-OD1 3.2Å; A411-D482 PolarHBondContact N-OD1 2.92Å; D482-H484 PolarHBondContact O-N 3Å; D482-A485 WeakPolarHBondContact O-CA 3.39Å; D482-A485 VanDerWaalsContact O-CB 3.31Å; D482-A485 WeakPolarHBondContact O-CB 3.47Å; D482-A485 PolarHBondContact O-N 3.18Å; D482-H486 PolarHBondContact O-CD2 2.91Å; D482-H486 PolarHBondContact O-N 3.32Å
483	H	95.4	Very high	98.2	Very high	37 Å²	37	16.3 Å²	16.3	17%	0.171	8%	0.08	C	C	.	.	H	α-helix	trans	-62.6	-31.3	178.8	65.9	-95.9	0	0	0	112.5	R481 L487	R481-H483 VanDerWaalsContact C-N 3.3Å; R481-H483 PolarHBondContact O-N 2.76Å; H483-L487 VanDerWaalsContact O-CB 3.26Å; H483-L487 WeakPolarHBondContact O-CB 3.31Å; H483-L487 PolarHBondContact O-N 2.97Å
484	H	98.3	Very high	98.2	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-69.8	-37.6	172.2	-60.2	112.3	0	0	0	111.6	D40 N83 L94 F480 R481 D482 L487 F488	D40-H484 IonicContact OD2-CE1 2.89Å; D40-H484 IonicContact OD2-NE2 3.35Å; D40-H484 PolarHBondContact OD2-NE2 3.34Å; N83-H484 PolarHBondContact ND2-CE1 3.38Å; L94-H484 HydrophobicContact CD1-CB 4.37Å; F480-H484 HydrophobicContact CD2-CB 3.38Å; F480-H484 HydrophobicContact CE2-CB 3.3Å; F480-H484 HydrophobicContact CG-CB 4.23Å; F480-H484 HydrophobicContact CZ-CB 4.12Å; R481-H484 PolarHBondContact N-ND1 2.79Å; R481-H484 VanDerWaalsContact N-ND1 3.17Å; R481-H484 WeakPolarHBondContact O-CA 3.22Å; R481-H484 VanDerWaalsContact O-CB 3.27Å; R481-H484 WeakPolarHBondContact O-CB 3.48Å; R481-H484 PolarHBondContact O-N 3.32Å; D482-H484 PolarHBondContact O-N 3Å; H484-L487 PolarHBondContact O-N 3.16Å; H484-F488 PolarHBondContact O-N 2.94Å
485	A	98.4	Very high	98.2	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-61.8	-48.1	173.1	0	0	0	0	0	110.8	A414 L415 F480 R481 D482 L487 F488 L489	A414-A485 HydrophobicContact CB-CB 4.38Å; L415-A485 HydrophobicContact CB-CB 4.19Å; F480-A485 HydrophobicContact CE1-CB 3.91Å; F480-A485 VanDerWaalsContact CZ-CA 3.44Å; F480-A485 HydrophobicContact CZ-CB 3.58Å; F480-A485 VanDerWaalsContact CZ-N 3.32Å; R481-A485 PolarHBondContact O-N 2.97Å; R481-A485 VanDerWaalsContact O-N 3.16Å; D482-A485 WeakPolarHBondContact O-CA 3.39Å; D482-A485 VanDerWaalsContact O-CB 3.31Å; D482-A485 WeakPolarHBondContact O-CB 3.47Å; D482-A485 PolarHBondContact O-N 3.18Å; A485-L487 PolarHBondContact O-N 3.16Å; A485-F488 PolarHBondContact O-N 2.97Å; A485-L489 WeakPolarHBondContact O-CB 3.21Å; A485-L489 WeakPolarHBondContact O-CD1 3.48Å; A485-L489 WeakPolarHBondContact O-CG 3.2Å; A485-L489 PolarHBondContact O-N 2.88Å
486	H	97.8	Very high	98.1	Very high	39 Å²	39	20.6 Å²	20.6	18%	0.181	10%	0.103	C	C	.	.	H	α-helix	trans	-61.6	-42.4	176.5	-68.7	-56.7	0	0	0	112.6	S29 D482 F488 L489 N490	S29-H486 WeakPolarHBondContact CB-ND1 3.23Å; S29-H486 WeakPolarHBondContact OG-CB 3.44Å; S29-H486 PolarHBondContact OG-ND1 2.96Å; D482-H486 PolarHBondContact O-CD2 2.91Å; D482-H486 PolarHBondContact O-N 3.32Å; H486-F488 PolarHBondContact O-N 3.08Å; H486-L489 PolarHBondContact O-N 3.11Å; H486-N490 WeakPolarHBondContact O-CB 3.47Å; H486-N490 PolarHBondContact O-N 2.93Å; H486-N490 PolarHBondContact O-ND2 2.76Å
487	L	98.4	Very high	98.1	Very high	45 Å²	45	23.5 Å²	23.5	24%	0.236	13%	0.128	C	C	.	.	H	α-helix	trans	-57.4	-49.9	175	176.8	60.8	0	0	0	111.3	L94 H483 H484 A485 I491	L94-L487 HydrophobicContact CD2-CD2 4.26Å; L94-L487 HydrophobicContact CD2-CG 4.47Å; H483-L487 VanDerWaalsContact O-CB 3.26Å; H483-L487 WeakPolarHBondContact O-CB 3.31Å; H483-L487 PolarHBondContact O-N 2.97Å; H484-L487 PolarHBondContact O-N 3.16Å; A485-L487 PolarHBondContact O-N 3.16Å; L487-I491 HydrophobicContact CD1-CD1 3.89Å; L487-I491 HydrophobicContact CG-CD1 4.16Å; L487-I491 VanDerWaalsContact O-CG1 3.32Å; L487-I491 WeakPolarHBondContact O-CG1 3.27Å; L487-I491 PolarHBondContact O-N 3.2Å; L487-I491 VanDerWaalsContact O-N 3.15Å
488	F	98.8	Very high	98	Very high	1 Å²	1	29.8 Å²	29.8	0%	0.004	16%	0.161	C	C	.	.	H	α-helix	trans	-59.4	-51	174.7	159.1	-107.1	0	0	0	112	L94 L96 L415 L419 V462 L464 F474 H484 A485 H486 N490 I491 F492	L94-F488 HydrophobicContact CD2-CB 4.21Å; L96-F488 HydrophobicContact CD1-CB 3.91Å; L96-F488 HydrophobicContact CD1-CD1 4.38Å; L96-F488 HydrophobicContact CD1-CD2 3.88Å; L96-F488 HydrophobicContact CD1-CG 3.75Å; L415-F488 HydrophobicContact CD1-CD1 3.58Å; L415-F488 HydrophobicContact CD1-CE1 3.71Å; L419-F488 HydrophobicContact CD2-CE1 3.96Å; L419-F488 HydrophobicContact CD2-CZ 4.29Å; V462-F488 HydrophobicContact CG1-CD2 3.98Å; L464-F488 HydrophobicContact CD1-CE2 4.28Å; L464-F488 HydrophobicContact CD2-CE2 4.09Å; F474-F488 HydrophobicContact CE1-CD1 4.1Å; F474-F488 HydrophobicContact CE1-CD2 4.41Å; F474-F488 AromaticContact CE1-CE1 3.47Å; F474-F488 HydrophobicContact CE1-CE1 3.47Å; F474-F488 VanDerWaalsContact CE1-CE1 3.47Å; F474-F488 AromaticContact CE1-CE2 3.81Å; F474-F488 HydrophobicContact CE1-CE2 3.81Å; F474-F488 AromaticContact CE1-CZ 3.31Å; F474-F488 HydrophobicContact CE1-CZ 3.31Å; F474-F488 AromaticContact CZ-CE1 3.71Å; F474-F488 HydrophobicContact CZ-CE1 3.71Å; F474-F488 HydrophobicContact CZ-CE2 4.23Å; F474-F488 AromaticContact CZ-CZ 3.42Å; F474-F488 HydrophobicContact CZ-CZ 3.42Å; F474-F488 VanDerWaalsContact CZ-CZ 3.42Å; H484-F488 PolarHBondContact O-N 2.94Å; A485-F488 PolarHBondContact O-N 2.97Å; H486-F488 PolarHBondContact O-N 3.08Å; F488-N490 VanDerWaalsContact C-N 3.3Å; F488-N490 PolarHBondContact O-N 3.16Å; F488-I491 PolarHBondContact O-N 3.22Å; F488-F492 HydrophobicContact CD2-CB 4.17Å; F488-F492 HydrophobicContact CE2-CB 3.6Å; F488-F492 HydrophobicContact CE2-CD1 4.33Å; F488-F492 AromaticContact CE2-CD2 3.9Å; F488-F492 HydrophobicContact CE2-CD2 3.9Å; F488-F492 AromaticContact CE2-CG 3.69Å; F488-F492 HydrophobicContact CE2-CG 3.69Å; F488-F492 HydrophobicContact CZ-CB 3.83Å; F488-F492 AromaticContact CZ-CD1 3.97Å; F488-F492 HydrophobicContact CZ-CD1 3.97Å; F488-F492 HydrophobicContact CZ-CD2 4.34Å; F488-F492 AromaticContact CZ-CG 3.79Å; F488-F492 HydrophobicContact CZ-CG 3.79Å; F488-F492 WeakPolarHBondContact O-CB 3.28Å; F488-F492 PolarHBondContact O-N 3.36Å
489	L	98.7	Very high	97.8	Very high	13 Å²	13	30.5 Å²	30.5	7%	0.068	16%	0.164	C	C	.	.	H	α-helix	trans	-60.8	-39.5	-175.5	-72.7	165.2	0	0	0	112	G418 L419 L422 A485 H486 S493	G418-L489 VanDerWaalsContact C-CD2 3.48Å; L419-L489 HydrophobicContact CD2-CD2 4.48Å; L419-L489 HydrophobicContact CG-CD2 4.49Å; L422-L489 HydrophobicContact CD1-CD2 3.93Å; A485-L489 WeakPolarHBondContact O-CB 3.21Å; A485-L489 WeakPolarHBondContact O-CD1 3.48Å; A485-L489 WeakPolarHBondContact O-CG 3.2Å; A485-L489 PolarHBondContact O-N 2.88Å; H486-L489 PolarHBondContact O-N 3.11Å; L489-S493 VanDerWaalsContact O-CB 3.26Å; L489-S493 WeakPolarHBondContact O-CB 3.35Å; L489-S493 PolarHBondContact O-N 2.88Å
490	N	98.4	Very high	96.7	Very high	49 Å²	49	41.2 Å²	41.2	26%	0.262	21%	0.21	S	C	.	.	H	α-helix	trans	-65.6	-49.3	176.3	-68.8	-25.8	0	0	0	111.1	S29 H486 F488 F492 S493 D494	S29-N490 PolarHBondContact N-OD1 3.25Å; S29-N490 PolarHBondContact OG-OD1 3.49Å; H486-N490 WeakPolarHBondContact O-CB 3.47Å; H486-N490 PolarHBondContact O-N 2.93Å; H486-N490 PolarHBondContact O-ND2 2.76Å; F488-N490 VanDerWaalsContact C-N 3.3Å; F488-N490 PolarHBondContact O-N 3.16Å; N490-F492 VanDerWaalsContact C-N 3.31Å; N490-F492 PolarHBondContact O-N 3.27Å; N490-S493 PolarHBondContact O-N 3.41Å; N490-D494 PolarHBondContact O-N 2.85Å
491	I	98.6	Very high	96.6	Very high	30 Å²	30	43.2 Å²	43.2	15%	0.154	22%	0.22	C	C	.	.	H	α-helix	trans	-59	-44.5	176.8	-68.1	168.9	0	0	0	110.7	P44 K460 V462 L487 F488 D494 I495	P44-I491 HydrophobicContact CG-CD1 4.15Å; K460-I491 HydrophobicContact CB-CG2 3.91Å; V462-I491 HydrophobicContact CG2-CD1 3.97Å; V462-I491 HydrophobicContact CG2-CG2 4.24Å; L487-I491 HydrophobicContact CD1-CD1 3.89Å; L487-I491 HydrophobicContact CG-CD1 4.16Å; L487-I491 VanDerWaalsContact O-CG1 3.32Å; L487-I491 WeakPolarHBondContact O-CG1 3.27Å; L487-I491 PolarHBondContact O-N 3.2Å; L487-I491 VanDerWaalsContact O-N 3.15Å; F488-I491 PolarHBondContact O-N 3.22Å; I491-D494 PolarHBondContact O-N 3.27Å; I491-I495 HydrophobicContact CG2-CD1 4Å; I491-I495 WeakPolarHBondContact O-CG1 3.43Å; I491-I495 PolarHBondContact O-N 3.47Å
492	F	98.7	Very high	96.6	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.009	22%	0.22	C	C	.	.	H	α-helix	trans	-72.7	-32.5	-176.8	-156.7	-112.8	0	0	0	112.5	L422 I430 F442 L453 L464 F488 N490 D494 I495 L496	L422-F492 HydrophobicContact CD1-CD1 3.95Å; I430-F492 HydrophobicContact CD1-CE1 4.19Å; F442-F492 HydrophobicContact CE1-CE1 4.19Å; F442-F492 AromaticContact CZ-CE1 3.72Å; F442-F492 HydrophobicContact CZ-CE1 3.72Å; F442-F492 AromaticContact CZ-CZ 3.77Å; F442-F492 HydrophobicContact CZ-CZ 3.77Å; L453-F492 HydrophobicContact CD1-CZ 4.42Å; L453-F492 HydrophobicContact CD2-CE2 4.47Å; L453-F492 HydrophobicContact CD2-CZ 4.35Å; L464-F492 HydrophobicContact CD1-CE2 4.22Å; F488-F492 HydrophobicContact CD2-CB 4.17Å; F488-F492 HydrophobicContact CE2-CB 3.6Å; F488-F492 HydrophobicContact CE2-CD1 4.33Å; F488-F492 AromaticContact CE2-CD2 3.9Å; F488-F492 HydrophobicContact CE2-CD2 3.9Å; F488-F492 AromaticContact CE2-CG 3.69Å; F488-F492 HydrophobicContact CE2-CG 3.69Å; F488-F492 HydrophobicContact CZ-CB 3.83Å; F488-F492 AromaticContact CZ-CD1 3.97Å; F488-F492 HydrophobicContact CZ-CD1 3.97Å; F488-F492 HydrophobicContact CZ-CD2 4.34Å; F488-F492 AromaticContact CZ-CG 3.79Å; F488-F492 HydrophobicContact CZ-CG 3.79Å; F488-F492 WeakPolarHBondContact O-CB 3.28Å; F488-F492 PolarHBondContact O-N 3.36Å; N490-F492 VanDerWaalsContact C-N 3.31Å; N490-F492 PolarHBondContact O-N 3.27Å; F492-D494 VanDerWaalsContact C-N 3.34Å; F492-I495 HydrophobicContact CD2-CD1 4.13Å; F492-I495 PolarHBondContact O-N 3.14Å; F492-L496 HydrophobicContact CD1-CD1 3.77Å; F492-L496 HydrophobicContact CD1-CG 4.24Å; F492-L496 HydrophobicContact CE1-CD1 3.85Å; F492-L496 HydrophobicContact CE1-CD2 4.25Å; F492-L496 HydrophobicContact CE1-CG 4.13Å; F492-L496 VanDerWaalsContact O-CG 3.29Å; F492-L496 WeakPolarHBondContact O-CG 3.48Å; F492-L496 PolarHBondContact O-N 3.44Å
493	S	98.5	Very high	96.7	Very high	10 Å²	10	42.8 Å²	42.8	7%	0.07	22%	0.222	C	C	.	.	H	α-helix	trans	-60	-43.5	170.6	176.4	0	0	0	0	111.7	R425 L489 N490 L496 A497	R425-S493 PolarHBondContact NH2-OG 2.73Å; L489-S493 VanDerWaalsContact O-CB 3.26Å; L489-S493 WeakPolarHBondContact O-CB 3.35Å; L489-S493 PolarHBondContact O-N 2.88Å; N490-S493 PolarHBondContact O-N 3.41Å; S493-L496 PolarHBondContact O-N 3.14Å; S493-A497 PolarHBondContact O-N 3.47Å
494	D	98.4	Very high	96.7	Very high	86 Å²	86	43.1 Å²	43.1	46%	0.46	23%	0.225	S	C	.	.	H	α-helix	trans	-65.7	-41.7	177.2	-71	-16.2	0	0	0	111	N490 I491 F492 L496 A497 D498	N490-D494 PolarHBondContact O-N 2.85Å; I491-D494 PolarHBondContact O-N 3.27Å; F492-D494 VanDerWaalsContact C-N 3.34Å; D494-L496 VanDerWaalsContact C-N 3.35Å; D494-L496 PolarHBondContact O-N 2.96Å; D494-A497 PolarHBondContact O-N 3.36Å; D494-D498 PolarHBondContact O-N 3.37Å
495	I	98.6	Very high	96.6	Very high	7 Å²	7	45.8 Å²	45.8	4%	0.036	24%	0.239	C	C	.	.	H	α-helix	trans	-56.4	-49.5	174.2	-69.5	167.6	0	0	0	110.7	L453 I456 A457 K460 I491 F492 A497 D498 F499	L453-I495 HydrophobicContact CD2-CG2 3.93Å; I456-I495 HydrophobicContact CB-CG2 4.44Å; I456-I495 HydrophobicContact CG2-CB 4.46Å; I456-I495 HydrophobicContact CG2-CD1 4.1Å; I456-I495 HydrophobicContact CG2-CG1 3.91Å; I456-I495 HydrophobicContact CG2-CG2 3.79Å; A457-I495 HydrophobicContact CB-CD1 4.04Å; K460-I495 HydrophobicContact CB-CD1 4.11Å; K460-I495 HydrophobicContact CG-CD1 4.06Å; K460-I495 HydrophobicContact CG-CG1 4.13Å; I491-I495 HydrophobicContact CG2-CD1 4Å; I491-I495 WeakPolarHBondContact O-CG1 3.43Å; I491-I495 PolarHBondContact O-N 3.47Å; F492-I495 HydrophobicContact CD2-CD1 4.13Å; F492-I495 PolarHBondContact O-N 3.14Å; I495-A497 VanDerWaalsContact C-N 3.33Å; I495-A497 PolarHBondContact O-N 3.04Å; I495-D498 CarbonylContact O-C 3.5Å; I495-D498 PolarHBondContact O-N 3.41Å; I495-F499 VanDerWaalsContact O-CB 3.31Å; I495-F499 WeakPolarHBondContact O-CB 3.3Å; I495-F499 PolarHBondContact O-N 2.8Å
496	L	98.1	Very high	96.5	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.01	25%	0.254	C	S	.	.	H	α-helix	trans	-66.5	-33.5	-178.3	-68.7	165	0	0	0	112.9	L422 Y426 F429 I430 L453 F492 S493 D494 D498 F499	L422-L496 HydrophobicContact CB-CD1 4.3Å; L422-L496 HydrophobicContact CD1-CD1 4.18Å; L422-L496 HydrophobicContact CD2-CD1 4.18Å; L422-L496 HydrophobicContact CG-CD1 4.47Å; Y426-L496 HydrophobicContact CD1-CB 4.1Å; Y426-L496 HydrophobicContact CD2-CB 3.82Å; Y426-L496 HydrophobicContact CD2-CD1 3.67Å; Y426-L496 HydrophobicContact CD2-CG 4.32Å; Y426-L496 HydrophobicContact CE1-CB 4.02Å; Y426-L496 HydrophobicContact CE2-CB 3.7Å; Y426-L496 HydrophobicContact CE2-CD1 4.05Å; Y426-L496 HydrophobicContact CG-CB 4Å; Y426-L496 HydrophobicContact CG-CD1 4.25Å; F429-L496 HydrophobicContact CB-CD2 4.22Å; F429-L496 HydrophobicContact CD2-CD2 4.22Å; I430-L496 HydrophobicContact CD1-CD1 3.55Å; I430-L496 HydrophobicContact CD1-CD2 4.2Å; L453-L496 HydrophobicContact CD2-CD2 4.32Å; F492-L496 HydrophobicContact CD1-CD1 3.77Å; F492-L496 HydrophobicContact CD1-CG 4.24Å; F492-L496 HydrophobicContact CE1-CD1 3.85Å; F492-L496 HydrophobicContact CE1-CD2 4.25Å; F492-L496 HydrophobicContact CE1-CG 4.13Å; F492-L496 VanDerWaalsContact O-CG 3.29Å; F492-L496 WeakPolarHBondContact O-CG 3.48Å; F492-L496 PolarHBondContact O-N 3.44Å; S493-L496 PolarHBondContact O-N 3.14Å; D494-L496 VanDerWaalsContact C-N 3.35Å; D494-L496 PolarHBondContact O-N 2.96Å; L496-D498 VanDerWaalsContact C-N 3.29Å; L496-D498 PolarHBondContact O-N 3.35Å; L496-F499 PolarHBondContact O-N 2.88Å
497	A	97.7	Very high	96.4	Very high	62 Å²	62	49.6 Å²	49.6	51%	0.512	26%	0.26	S	S	.	.	H	α-helix	trans	-64.6	-36.3	176.2	0	0	0	0	0	112	S493 D494 I495	S493-A497 PolarHBondContact O-N 3.47Å; D494-A497 PolarHBondContact O-N 3.36Å; I495-A497 VanDerWaalsContact C-N 3.33Å; I495-A497 PolarHBondContact O-N 3.04Å
498	D	97.2	Very high	96.3	Very high	132 Å²	132	49.9 Å²	49.9	71%	0.706	26%	0.262	S	S	*	.	H	α-helix	trans	-89.7	-6.6	178.3	-66.9	-22.1	0	0	0	113	D494 I495 L496 K500	D494-D498 PolarHBondContact O-N 3.37Å; I495-D498 CarbonylContact O-C 3.5Å; I495-D498 PolarHBondContact O-N 3.41Å; L496-D498 VanDerWaalsContact C-N 3.29Å; L496-D498 PolarHBondContact O-N 3.35Å; D498-K500 PolarHBondContact O-N 3.24Å
499	F	94.5	Very high	96	Very high	18 Å²	18	54 Å²	54	8%	0.079	28%	0.283	C	S	.	.			trans	-79.3	104.9	-175.8	-158.4	-102.1	0	0	0	110.6	F429 I449 K452 L453 I456 I495 L496	F429-F499 AromaticContact CD1-CD1 3.97Å; F429-F499 HydrophobicContact CD1-CD1 3.97Å; F429-F499 HydrophobicContact CD1-CE1 4.12Å; F429-F499 HydrophobicContact CD2-CD1 4.23Å; F429-F499 AromaticContact CE1-CD1 3.66Å; F429-F499 HydrophobicContact CE1-CD1 3.66Å; F429-F499 AromaticContact CE1-CE1 3.95Å; F429-F499 HydrophobicContact CE1-CE1 3.95Å; F429-F499 HydrophobicContact CE2-CB 4.32Å; F429-F499 AromaticContact CE2-CD1 3.92Å; F429-F499 HydrophobicContact CE2-CD1 3.92Å; F429-F499 WeakPolarHBondContact CE2-O 3.38Å; F429-F499 HydrophobicContact CG-CD1 4.26Å; F429-F499 AromaticContact CZ-CD1 3.64Å; F429-F499 HydrophobicContact CZ-CD1 3.64Å; F429-F499 HydrophobicContact CZ-CE1 4.38Å; F429-F499 WeakPolarHBondContact CZ-O 3.39Å; I449-F499 HydrophobicContact CG2-CE1 3.88Å; I449-F499 HydrophobicContact CG2-CZ 4.02Å; K452-F499 HydrophobicContact CB-CE2 4.41Å; K452-F499 HydrophobicContact CB-CZ 4.39Å; K452-F499 HydrophobicContact CD-CE2 3.85Å; K452-F499 HydrophobicContact CD-CZ 3.91Å; K452-F499 HydrophobicContact CG-CE2 3.96Å; K452-F499 HydrophobicContact CG-CZ 4.27Å; L453-F499 HydrophobicContact CD2-CD1 4.32Å; L453-F499 HydrophobicContact CD2-CD2 3.58Å; L453-F499 HydrophobicContact CD2-CE1 4.28Å; L453-F499 HydrophobicContact CD2-CE2 3.53Å; L453-F499 HydrophobicContact CD2-CG 3.99Å; L453-F499 HydrophobicContact CD2-CZ 3.9Å; L453-F499 HydrophobicContact CG-CD2 4.4Å; L453-F499 HydrophobicContact CG-CE1 4.35Å; L453-F499 HydrophobicContact CG-CE2 3.86Å; L453-F499 HydrophobicContact CG-CZ 3.83Å; I456-F499 HydrophobicContact CD1-CD2 3.86Å; I456-F499 HydrophobicContact CD1-CE2 3.74Å; I495-F499 VanDerWaalsContact O-CB 3.31Å; I495-F499 WeakPolarHBondContact O-CB 3.3Å; I495-F499 PolarHBondContact O-N 2.8Å; L496-F499 PolarHBondContact O-N 2.88Å
500	K	75.2	Confident	95.8	Very high	237 Å²	237	57.7 Å²	57.7	100%	1.03	30%	0.303	S	S	*	.			trans	-87.7	0	172.3	-65.1	-175.4	-178.1	179.6	0	112	D498	D498-K500 PolarHBondContact O-N 3.24Å

Retrieved 500 of 500 residues in 1237.9 ms (Link to these results)

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