G4VBC4_SCHMA Loading...

Cathepsin F (C01 family)

AlphaFold DB , UniProt , Accession G4VBC4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 457 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.4	Very low	34.6	Very low	242 Å²	242	122.6 Å²	122.6	100%	1.192	68%	0.68	S	S	*	*				0	97.9	0	-75.4	175.8	165.9	0	0	108	S3	M1-S3 PolarHBondContact O-N 3.41Å
2	I	36	Very low	34.3	Very low	118 Å²	118	126.8 Å²	126.8	61%	0.605	70%	0.696	S	S	*	*			trans	-77.5	100.6	173.8	-61.1	173.8	0	0	0	105.6	V6 L129	I2-V6 HydrophobicContact CG2-CG2 4.4Å; I2-L129 HydrophobicContact CD1-CD2 4.01Å
3	S	28.9	Very low	33.8	Very low	98 Å²	98	122.8 Å²	122.8	69%	0.685	70%	0.702	S	S	*	*			trans	-80.8	129.2	-176.4	66.4	0	0	0	0	111.3	M1 S5	M1-S3 PolarHBondContact O-N 3.41Å; S3-S5 VanDerWaalsContact C-N 3.3Å; S3-S5 PolarHBondContact O-N 3.15Å
4	L	33.3	Very low	33.4	Very low	178 Å²	178	119.5 Å²	119.5	93%	0.932	71%	0.709	S	S	*	*	S	Bend	trans	29.6	44	146.4	-114.5	91.8	0	0	0	119.2
5	S	34.8	Very low	33	Very low	87 Å²	87	123.7 Å²	123.7	61%	0.608	72%	0.718	S	S	*	*			trans	176.4	76.3	148.8	34.7	0	0	0	0	112.4	S3 L7	S3-S5 VanDerWaalsContact C-N 3.3Å; S3-S5 PolarHBondContact O-N 3.15Å; S5-L7 VanDerWaalsContact CA-N 3.32Å; S5-L7 PolarHBondContact O-N 2.74Å
6	V	41.5	Very low	32.7	Very low	62 Å²	62	124.8 Å²	124.8	38%	0.376	72%	0.721	S	S	.	*			trans	-60.8	-7	139.3	177.6	0	0	0	0	110.3	I2 L8	I2-V6 HydrophobicContact CG2-CG2 4.4Å; V6-L8 PolarHBondContact O-N 3.04Å
7	L	35.5	Very low	32.3	Very low	157 Å²	157	126.8 Å²	126.8	82%	0.822	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.5	3.2	-176.3	-135.9	89.7	0	0	0	117.7	S5	S5-L7 VanDerWaalsContact CA-N 3.32Å; S5-L7 PolarHBondContact O-N 2.74Å
8	L	32.5	Very low	32.1	Very low	136 Å²	136	127.4 Å²	127.4	71%	0.712	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.7	-6.3	179.7	-128	86.7	0	0	0	116.7	V6 L10	V6-L8 PolarHBondContact O-N 3.04Å; L8-L10 PolarHBondContact O-N 3.33Å; L8-L10 VanDerWaalsContact O-N 3.11Å
9	A	34.4	Very low	32.1	Very low	41 Å²	41	124.1 Å²	124.1	34%	0.339	71%	0.707	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.2	22.8	-168.8	0	0	0	0	0	115.4	Y48	A9-Y48 HydrophobicContact CB-CE1 4.45Å
10	L	34.1	Very low	31.9	Very low	97 Å²	97	128.2 Å²	128.2	51%	0.508	71%	0.712	S	S	.	*	T	Hydrogen-bonded Turn	trans	-102.8	1.5	171.2	-64.6	166.2	0	0	0	112.9	L8 D124 S125	L8-L10 PolarHBondContact O-N 3.33Å; L8-L10 VanDerWaalsContact O-N 3.11Å; L10-D124 WeakPolarHBondContact CD2-O 3.45Å; L10-S125 WeakPolarHBondContact CD1-O 3.18Å
11	L	33.4	Very low	31.7	Very low	133 Å²	133	125.8 Å²	125.8	70%	0.696	69%	0.693	S	S	*	*	S	Bend	trans	-95.9	111.3	167.3	-64.1	170.6	0	0	0	106.7
12	I	31.3	Very low	31.4	Very low	172 Å²	172	119.7 Å²	119.7	88%	0.882	67%	0.665	S	S	*	*	S	Bend	trans	105.3	101.7	155.2	-42.4	144.6	0	0	0	115.5
13	G	27.4	Very low	31.3	Very low	75 Å²	75	121.7 Å²	121.7	77%	0.773	67%	0.672	S	S	*	*			trans	114	125.3	151.1	0	0	0	0	0	114
14	G	28.5	Very low	31.5	Very low	77 Å²	77	126 Å²	126	79%	0.794	68%	0.681	S	S	*	*			cis	-174.5	161.1	7.6	0	0	0	0	0	107.9
15	Q	27.1	Very low	31.5	Very low	182 Å²	182	120.7 Å²	120.7	85%	0.85	66%	0.658	S	S	*	*			trans	-52	156.1	-172.1	-84.6	167.3	-76.9	0	0	116.5
16	D	27.9	Very low	31.5	Very low	141 Å²	141	126.1 Å²	126.1	75%	0.754	67%	0.674	S	S	*	*	S	Bend	trans	90	71.6	158.1	-52.4	-27.5	0	0	0	117.8
17	D	26.7	Very low	31.2	Very low	159 Å²	159	124.7 Å²	124.7	85%	0.85	67%	0.672	S	S	*	*				-178.5	79.4	122.2	-91.3	-23.9	0	0	0	107.6	L19	D17-L19 PolarHBondContact O-N 2.6Å
18	L	27.8	Very low	31.4	Very low	138 Å²	138	124.8 Å²	124.8	72%	0.723	67%	0.668	S	S	*	*			trans	-63.7	107.2	177	-83.4	156.9	0	0	0	109.1	Y20	L18-Y20 PolarHBondContact O-N 3.25Å
19	L	32.7	Very low	31.9	Very low	64 Å²	64	120.5 Å²	120.5	34%	0.335	65%	0.645	S	S	.	*			trans	-55.8	95.1	171.2	-81.6	157	0	0	0	110	D17 Y21 Y122	D17-L19 PolarHBondContact O-N 2.6Å; L19-Y21 PolarHBondContact O-N 3.05Å; L19-Y122 HydrophobicContact CB-CD1 4.23Å; L19-Y122 HydrophobicContact CD1-CD1 3.3Å; L19-Y122 HydrophobicContact CD1-CE1 3.64Å; L19-Y122 HydrophobicContact CD1-CG 3.8Å; L19-Y122 HydrophobicContact CG-CD1 4.32Å
20	Y	27.4	Very low	32.3	Very low	206 Å²	206	124.4 Å²	124.4	81%	0.808	67%	0.671	S	S	*	*			trans	-70.6	111.1	174.4	-101.4	-93	0	0	0	110	L18	L18-Y20 PolarHBondContact O-N 3.25Å
21	Y	27.7	Very low	33.1	Very low	79 Å²	79	125.2 Å²	125.2	31%	0.31	67%	0.672	S	S	.	*			trans	-91.8	101.1	169.9	-153.3	-85.1	0	0	0	108.1	L19 E23 G27 L29 F116	L19-Y21 PolarHBondContact O-N 3.05Å; Y21-E23 PolarHBondContact O-N 3.08Å; Y21-G27 PolarHBondContact OH-O 3.35Å; Y21-L29 HydrophobicContact CE2-CD2 4.45Å; Y21-F116 HydrophobicContact CD2-CZ 4.24Å; Y21-F116 HydrophobicContact CG-CZ 4.31Å
22	N	30.1	Very low	34.4	Very low	113 Å²	113	119.5 Å²	119.5	60%	0.604	65%	0.645	S	S	*	*			trans	-76.2	120.6	179.1	-107.8	-21.8	0	0	0	110	H24 S25	N22-H24 PolarHBondContact O-N 3.39Å; N22-S25 PolarHBondContact O-N 3.16Å; N22-S25 PolarHBondContact O-OG 3.14Å
23	E	34.4	Very low	36.6	Very low	160 Å²	160	111.6 Å²	111.6	75%	0.748	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.9	-13.4	179	-75.3	-174.1	144	0	0	114.5	Y21	Y21-E23 PolarHBondContact O-N 3.08Å
24	H	32	Very low	39.4	Very low	190 Å²	190	108 Å²	108	88%	0.88	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.4	1.4	-176.5	-76.7	-53.1	0	0	0	116	N22	N22-H24 PolarHBondContact O-N 3.39Å
25	S	33.7	Very low	42	Very low	65 Å²	65	108.3 Å²	108.3	46%	0.455	55%	0.549	S	S	.	.			trans	-112.5	113.3	162.7	52.5	0	0	0	0	107.7	N22 G27	N22-S25 PolarHBondContact O-N 3.16Å; N22-S25 PolarHBondContact O-OG 3.14Å; S25-G27 PolarHBondContact O-N 3.48Å
26	E	35.3	Very low	44.5	Very low	202 Å²	202	104.6 Å²	104.6	94%	0.944	53%	0.527	S	S	*	.			trans	-61.5	28.6	151.3	-66.8	-170.8	144.8	0	0	111.6	E28	E26-E28 PolarHBondContact O-N 2.95Å
27	G	34.7	Very low	47.3	Very low	31 Å²	31	98.3 Å²	98.3	32%	0.32	49%	0.493	S	S	.	.			trans	-69	101.7	171.4	0	0	0	0	0	107.1	Y21 S25 L29	Y21-G27 PolarHBondContact OH-O 3.35Å; S25-G27 PolarHBondContact O-N 3.48Å; G27-L29 PolarHBondContact O-N 3.41Å
28	E	39.9	Very low	50.3	Low	160 Å²	160	90.9 Å²	90.9	75%	0.748	45%	0.453	S	S	*	.			trans	-26.8	132.7	132.3	-66.2	178.5	148.2	0	0	108.7	E26 S30	E26-E28 PolarHBondContact O-N 2.95Å; E28-S30 VanDerWaalsContact C-N 3.27Å; E28-S30 WeakPolarHBondContact O-CA 3.46Å; E28-S30 PolarHBondContact O-N 3.43Å
29	L	43	Very low	53.2	Low	45 Å²	45	86.8 Å²	86.8	24%	0.236	44%	0.435	C	S	.	.			trans	-48.2	100.1	171	-68.6	162.6	0	0	0	106.8	Y21 G27 E31 P33 Y73	Y21-L29 HydrophobicContact CE2-CD2 4.45Å; G27-L29 PolarHBondContact O-N 3.41Å; L29-E31 CarbonylContact C-O 3.56Å; L29-E31 WeakPolarHBondContact CB-O 3.22Å; L29-E31 CarbonylContact O-C 3.53Å; L29-E31 VanDerWaalsContact O-C 3.32Å; L29-E31 PolarHBondContact O-N 2.89Å; L29-P33 HydrophobicContact CD1-CB 3.79Å; L29-P33 HydrophobicContact CD1-CG 3.7Å; L29-Y73 HydrophobicContact CD1-CE2 4.14Å; L29-Y73 WeakPolarHBondContact CD1-OH 3.5Å
30	S	42.6	Very low	55.7	Low	124 Å²	124	86.3 Å²	86.3	87%	0.867	44%	0.435	S	S	*	.	S	Bend	trans	-61.7	-27.3	-166.2	58.7	0	0	0	0	110.7	E28	E28-S30 VanDerWaalsContact C-N 3.27Å; E28-S30 WeakPolarHBondContact O-CA 3.46Å; E28-S30 PolarHBondContact O-N 3.43Å
31	E	52	Low	58.6	Low	113 Å²	113	76.5 Å²	76.5	53%	0.528	40%	0.397	S	S	.	.	S	Bend	trans	-106.9	121.1	161.9	-66.6	171.3	179.6	0	0	108.3	L29 R36	L29-E31 CarbonylContact C-O 3.56Å; L29-E31 WeakPolarHBondContact CB-O 3.22Å; L29-E31 CarbonylContact O-C 3.53Å; L29-E31 VanDerWaalsContact O-C 3.32Å; L29-E31 PolarHBondContact O-N 2.89Å; E31-R36 PolarHBondContact O-NH2 3.37Å
32	G	60.4	Low	61.6	Low	13 Å²	13	72.8 Å²	72.8	13%	0.134	38%	0.382	C	S	.	.			trans	-49.8	140.7	-177.6	0	0	0	0	0	112.3	L34 E35	G32-L34 PolarHBondContact O-N 2.77Å; G32-E35 PolarHBondContact O-N 3.43Å
33	P	77.6	Confident	64.4	Low	6 Å²	6	73.7 Å²	73.7	4%	0.039	38%	0.38	C	S	.	.	H	α-helix	trans	-57.8	-20.9	-174.9	17.5	-27.3	0	0	0	113.9	L29 E35 R36 L37 Q62 Y73 F75	L29-P33 HydrophobicContact CD1-CB 3.79Å; L29-P33 HydrophobicContact CD1-CG 3.7Å; P33-E35 PolarHBondContact O-N 3.17Å; P33-R36 PolarHBondContact O-N 2.82Å; P33-L37 HydrophobicContact CB-CD1 4.09Å; P33-L37 VanDerWaalsContact O-CB 3.29Å; P33-L37 WeakPolarHBondContact O-CB 3.33Å; P33-L37 WeakPolarHBondContact O-CG 3.43Å; P33-L37 PolarHBondContact O-N 3.49Å; P33-Q62 VanDerWaalsContact CD-OE1 3.27Å; P33-Y73 HydrophobicContact CG-CD1 3.3Å; P33-Y73 HydrophobicContact CG-CD2 4.09Å; P33-Y73 HydrophobicContact CG-CE1 3.28Å; P33-Y73 HydrophobicContact CG-CE2 4.08Å; P33-Y73 HydrophobicContact CG-CG 3.73Å; P33-F75 HydrophobicContact CB-CE1 4.16Å; P33-F75 HydrophobicContact CB-CZ 3.96Å; P33-F75 HydrophobicContact CG-CE1 4.02Å; P33-F75 HydrophobicContact CG-CZ 3.98Å
34	L	84.8	Confident	66.9	Low	0 Å²	0	68.2 Å²	68.2	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-57.1	-48	-180	178.5	59.3	0	0	0	113.2	G32 R36 L37 L38 A60 Q62 F75 Y145	G32-L34 PolarHBondContact O-N 2.77Å; L34-R36 VanDerWaalsContact C-N 3.31Å; L34-R36 PolarHBondContact O-N 2.89Å; L34-L37 PolarHBondContact O-N 2.89Å; L34-L38 HydrophobicContact CD1-CB 4.38Å; L34-L38 HydrophobicContact CD1-CD1 4.2Å; L34-L38 WeakPolarHBondContact O-CB 3.47Å; L34-L38 PolarHBondContact O-N 3.26Å; L34-A60 HydrophobicContact CD1-CB 4.03Å; L34-A60 HydrophobicContact CD2-CB 3.98Å; L34-A60 HydrophobicContact CG-CB 4.41Å; L34-Q62 HydrophobicContact CB-CB 4.02Å; L34-Q62 HydrophobicContact CB-CG 3.95Å; L34-Q62 HydrophobicContact CD2-CB 4.1Å; L34-Q62 HydrophobicContact CD2-CG 4.12Å; L34-F75 HydrophobicContact CB-CD1 4.05Å; L34-F75 HydrophobicContact CB-CE1 4.07Å; L34-F75 HydrophobicContact CD1-CD1 3.78Å; L34-F75 HydrophobicContact CG-CD1 4.48Å; L34-Y145 HydrophobicContact CD2-CD2 3.5Å; L34-Y145 HydrophobicContact CD2-CE2 3.88Å; L34-Y145 HydrophobicContact CD2-CG 4.46Å; L34-Y145 HydrophobicContact CG-CD2 3.98Å; L34-Y145 HydrophobicContact CG-CE2 4.45Å
35	E	83.2	Confident	69.6	Low	84 Å²	84	59.8 Å²	59.8	39%	0.393	32%	0.315	S	S	.	.	H	α-helix	trans	-59.1	-45.6	-177.1	-174.1	175.4	172.6	0	0	111.4	G32 P33 Y145	G32-E35 PolarHBondContact O-N 3.43Å; P33-E35 PolarHBondContact O-N 3.17Å; E35-Y145 HydrophobicContact CB-CD1 3.64Å; E35-Y145 HydrophobicContact CB-CE1 3.89Å; E35-Y145 HydrophobicContact CB-CG 4.41Å; E35-Y145 HydrophobicContact CG-CD1 3.91Å; E35-Y145 HydrophobicContact CG-CE1 4.41Å
36	R	80.7	Confident	72.3	Confident	103 Å²	103	57.3 Å²	57.3	39%	0.389	30%	0.297	S	S	.	.	H	α-helix	trans	-70.5	-39.1	179.7	-75	-177	-83.1	174.9	-10.8	113.1	E31 P33 L34	E31-R36 PolarHBondContact O-NH2 3.37Å; P33-R36 PolarHBondContact O-N 2.82Å; L34-R36 VanDerWaalsContact C-N 3.31Å; L34-R36 PolarHBondContact O-N 2.89Å
37	L	87.3	Confident	74.7	Confident	10 Å²	10	53.4 Å²	53.4	5%	0.052	28%	0.278	C	S	.	.	H	α-helix	trans	-88.3	-19.4	-175.1	-66.1	177.9	0	0	0	113.6	P33 L34 T40 L41 F75 L114 Y122	P33-L37 HydrophobicContact CB-CD1 4.09Å; P33-L37 VanDerWaalsContact O-CB 3.29Å; P33-L37 WeakPolarHBondContact O-CB 3.33Å; P33-L37 WeakPolarHBondContact O-CG 3.43Å; P33-L37 PolarHBondContact O-N 3.49Å; L34-L37 PolarHBondContact O-N 2.89Å; L37-T40 CarbonylContact O-C 3.53Å; L37-T40 WeakPolarHBondContact O-CA 3.44Å; L37-T40 WeakPolarHBondContact O-CB 3.43Å; L37-T40 PolarHBondContact O-N 2.94Å; L37-L41 HydrophobicContact CB-CD1 4.14Å; L37-L41 HydrophobicContact CB-CG 4.37Å; L37-L41 VanDerWaalsContact O-CG 3.26Å; L37-L41 WeakPolarHBondContact O-CG 3.39Å; L37-L41 PolarHBondContact O-N 2.91Å; L37-F75 HydrophobicContact CD1-CE2 4.18Å; L37-F75 HydrophobicContact CD1-CZ 3.88Å; L37-L114 HydrophobicContact CD1-CD2 3.71Å; L37-Y122 HydrophobicContact CD2-CE2 4.48Å; L37-Y122 WeakPolarHBondContact CD2-OH 3.48Å
38	L	88.8	Confident	77.1	Confident	2 Å²	2	57.2 Å²	57.2	1%	0.01	28%	0.284	C	S	.	.	H	α-helix	trans	-54.2	-44.3	-176.1	-174.3	67.7	0	0	0	113.2	L34 T40 L41 V42 A57 A60 I77 Y145 L146	L34-L38 HydrophobicContact CD1-CB 4.38Å; L34-L38 HydrophobicContact CD1-CD1 4.2Å; L34-L38 WeakPolarHBondContact O-CB 3.47Å; L34-L38 PolarHBondContact O-N 3.26Å; L38-T40 VanDerWaalsContact C-N 3.33Å; L38-T40 PolarHBondContact O-N 2.85Å; L38-L41 PolarHBondContact O-N 3.31Å; L38-V42 HydrophobicContact CD1-CG2 4.25Å; L38-V42 HydrophobicContact CG-CG2 4.38Å; L38-V42 WeakPolarHBondContact O-CB 3.39Å; L38-V42 VanDerWaalsContact O-CG2 3.27Å; L38-V42 WeakPolarHBondContact O-CG2 3.09Å; L38-V42 PolarHBondContact O-N 2.91Å; L38-A57 HydrophobicContact CD1-CB 3.85Å; L38-A57 HydrophobicContact CD2-CB 3.81Å; L38-A57 HydrophobicContact CG-CB 4.03Å; L38-A60 HydrophobicContact CD1-CB 3.96Å; L38-A60 HydrophobicContact CD2-CB 4.3Å; L38-I77 HydrophobicContact CD1-CD1 3.49Å; L38-I77 VanDerWaalsContact CD1-CD1 3.49Å; L38-I77 HydrophobicContact CD1-CG1 3.82Å; L38-I77 HydrophobicContact CD1-CG2 4Å; L38-Y145 WeakPolarHBondContact CD2-O 3.11Å; L38-L146 HydrophobicContact CD2-CD2 4.05Å
39	P	87.9	Confident	79.4	Confident	53 Å²	53	50.8 Å²	50.8	34%	0.344	26%	0.257	S	S	.	.	H	α-helix	trans	-58.5	-43	174	-24.3	35.6	0	0	0	112.8	V42 K43 Y91	P39-V42 PolarHBondContact O-N 3.47Å; P39-K43 VanDerWaalsContact O-CB 3.24Å; P39-K43 WeakPolarHBondContact O-CB 3.12Å; P39-K43 PolarHBondContact O-N 3.45Å; P39-Y91 HydrophobicContact CB-CE1 4.31Å; P39-Y91 HydrophobicContact CB-CE2 4.25Å
40	T	85.9	Confident	81.5	Confident	53 Å²	53	60.5 Å²	60.5	33%	0.325	29%	0.29	S	S	.	.	H	α-helix	trans	-62.9	-44.1	176.8	-55.3	0	0	0	0	111.7	L37 L38 K43 F44	L37-T40 CarbonylContact O-C 3.53Å; L37-T40 WeakPolarHBondContact O-CA 3.44Å; L37-T40 WeakPolarHBondContact O-CB 3.43Å; L37-T40 PolarHBondContact O-N 2.94Å; L38-T40 VanDerWaalsContact C-N 3.33Å; L38-T40 PolarHBondContact O-N 2.85Å; T40-K43 PolarHBondContact O-N 3.26Å; T40-F44 WeakPolarHBondContact O-CB 2.81Å; T40-F44 PolarHBondContact O-N 3.11Å
41	L	89.4	Confident	83.7	Confident	1 Å²	1	58.6 Å²	58.6	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-63.9	-43.3	179.1	-61.5	168.9	0	0	0	111.7	L37 L38 F44 Y45 F75 I77 F112 L127	L37-L41 HydrophobicContact CB-CD1 4.14Å; L37-L41 HydrophobicContact CB-CG 4.37Å; L37-L41 VanDerWaalsContact O-CG 3.26Å; L37-L41 WeakPolarHBondContact O-CG 3.39Å; L37-L41 PolarHBondContact O-N 2.91Å; L38-L41 PolarHBondContact O-N 3.31Å; L41-F44 PolarHBondContact O-N 2.65Å; L41-Y45 PolarHBondContact O-N 2.83Å; L41-F75 HydrophobicContact CD1-CB 4.11Å; L41-F75 HydrophobicContact CD1-CD2 4.22Å; L41-F75 HydrophobicContact CD1-CG 4.04Å; L41-I77 HydrophobicContact CB-CD1 3.52Å; L41-I77 HydrophobicContact CD1-CD1 3.42Å; L41-I77 VanDerWaalsContact CD1-CD1 3.42Å; L41-I77 HydrophobicContact CG-CD1 4.03Å; L41-F112 HydrophobicContact CB-CD2 4.47Å; L41-F112 HydrophobicContact CB-CE1 4.49Å; L41-F112 HydrophobicContact CB-CE2 4.23Å; L41-F112 HydrophobicContact CB-CZ 4.22Å; L41-F112 HydrophobicContact CD2-CB 3.82Å; L41-F112 HydrophobicContact CD2-CD1 3.5Å; L41-F112 HydrophobicContact CD2-CD2 4.09Å; L41-F112 HydrophobicContact CD2-CE1 3.95Å; L41-F112 HydrophobicContact CD2-CE2 4.49Å; L41-F112 HydrophobicContact CD2-CG 3.57Å; L41-F112 HydrophobicContact CD2-CZ 4.42Å; L41-L127 HydrophobicContact CD2-CD1 3.64Å; L41-L127 HydrophobicContact CD2-CD2 3.53Å; L41-L127 HydrophobicContact CD2-CG 4Å
42	V	90.3	Very high	85.5	Confident	0 Å²	0	57 Å²	57	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-68.5	-39.7	175.9	174.1	0	0	0	0	111.2	L38 P39 Y45 N46 Y55 A57 L79 Y91	L38-V42 HydrophobicContact CD1-CG2 4.25Å; L38-V42 HydrophobicContact CG-CG2 4.38Å; L38-V42 WeakPolarHBondContact O-CB 3.39Å; L38-V42 VanDerWaalsContact O-CG2 3.27Å; L38-V42 WeakPolarHBondContact O-CG2 3.09Å; L38-V42 PolarHBondContact O-N 2.91Å; P39-V42 PolarHBondContact O-N 3.47Å; V42-Y45 PolarHBondContact O-N 3.26Å; V42-N46 WeakPolarHBondContact CG1-ND2 3.39Å; V42-N46 WeakPolarHBondContact O-CB 3.17Å; V42-N46 PolarHBondContact O-N 3.03Å; V42-N46 PolarHBondContact O-ND2 2.81Å; V42-Y55 WeakPolarHBondContact CG1-O 3.18Å; V42-A57 HydrophobicContact CG2-CB 3.78Å; V42-L79 HydrophobicContact CG2-CD2 3.89Å; V42-Y91 HydrophobicContact CB-CE2 3.96Å; V42-Y91 HydrophobicContact CG1-CD2 4.43Å; V42-Y91 HydrophobicContact CG1-CE2 3.77Å
43	K	88	Confident	86.9	Confident	132 Å²	132	61 Å²	61	57%	0.574	28%	0.279	S	S	*	.	H	α-helix	trans	-61.4	-47.8	174.5	-178.3	-177.6	176.9	-174.8	0	110.6	P39 T40 Y45 N46 Q47	P39-K43 VanDerWaalsContact O-CB 3.24Å; P39-K43 WeakPolarHBondContact O-CB 3.12Å; P39-K43 PolarHBondContact O-N 3.45Å; T40-K43 PolarHBondContact O-N 3.26Å; K43-Y45 PolarHBondContact O-N 2.85Å; K43-N46 PolarHBondContact O-N 2.87Å; K43-Q47 WeakPolarHBondContact O-CB 3.23Å; K43-Q47 PolarHBondContact O-N 3.34Å
44	F	86.6	Confident	87.5	Confident	46 Å²	46	61.9 Å²	61.9	20%	0.202	28%	0.281	C	S	.	.	H	α-helix	trans	-55.5	-51.6	175.7	-179.9	-84.3	0	0	0	111.1	T40 L41 N46 Q47 Y48 F112 L129	T40-F44 WeakPolarHBondContact O-CB 2.81Å; T40-F44 PolarHBondContact O-N 3.11Å; L41-F44 PolarHBondContact O-N 2.65Å; F44-N46 VanDerWaalsContact C-N 3.34Å; F44-N46 PolarHBondContact O-N 2.72Å; F44-Q47 PolarHBondContact O-N 2.94Å; F44-Y48 HydrophobicContact CD1-CD2 4.13Å; F44-Y48 AromaticContact CD2-CD2 3.55Å; F44-Y48 HydrophobicContact CD2-CD2 3.55Å; F44-Y48 AromaticContact CD2-CE2 3.51Å; F44-Y48 HydrophobicContact CD2-CE2 3.51Å; F44-Y48 HydrophobicContact CE1-CD2 4.1Å; F44-Y48 AromaticContact CE2-CD2 3.52Å; F44-Y48 HydrophobicContact CE2-CD2 3.52Å; F44-Y48 AromaticContact CE2-CE2 3.53Å; F44-Y48 HydrophobicContact CE2-CE2 3.53Å; F44-Y48 AromaticContact CG-CD2 3.86Å; F44-Y48 HydrophobicContact CG-CD2 3.86Å; F44-Y48 HydrophobicContact CG-CE2 4.22Å; F44-Y48 AromaticContact CZ-CD2 3.8Å; F44-Y48 HydrophobicContact CZ-CD2 3.8Å; F44-Y48 HydrophobicContact CZ-CE2 4.25Å; F44-Y48 HydrophobicContact CZ-CG 4.5Å; F44-Y48 VanDerWaalsContact O-CD2 3.23Å; F44-Y48 WeakPolarHBondContact O-CD2 3.22Å; F44-Y48 PolarHBondContact O-N 3.35Å; F44-F112 AromaticContact CD1-CE1 3.84Å; F44-F112 HydrophobicContact CD1-CE1 3.84Å; F44-F112 HydrophobicContact CE1-CE1 4.36Å; F44-L129 HydrophobicContact CE1-CB 3.88Å; F44-L129 HydrophobicContact CE1-CD2 4.36Å
45	Y	89.7	Confident	87.9	Confident	13 Å²	13	62.4 Å²	62.4	5%	0.051	28%	0.283	C	S	.	.	H	α-helix	trans	-58.9	-45.9	178.5	-177.4	-89.9	0	0	0	111.9	L41 V42 K43 Q47 Y48 S49 Y55 L79 C110	L41-Y45 PolarHBondContact O-N 2.83Å; V42-Y45 PolarHBondContact O-N 3.26Å; K43-Y45 PolarHBondContact O-N 2.85Å; Y45-Q47 VanDerWaalsContact C-N 3.31Å; Y45-Q47 PolarHBondContact O-N 3.4Å; Y45-Y48 PolarHBondContact O-N 3.26Å; Y45-S49 WeakPolarHBondContact O-CB 3.14Å; Y45-S49 PolarHBondContact O-N 2.76Å; Y45-Y55 HydrophobicContact CD1-CD2 4.42Å; Y45-Y55 HydrophobicContact CD1-CG 4.18Å; Y45-Y55 HydrophobicContact CE1-CD1 4.06Å; Y45-Y55 AromaticContact CE1-CD2 3.65Å; Y45-Y55 HydrophobicContact CE1-CD2 3.65Å; Y45-Y55 HydrophobicContact CE1-CE1 4.48Å; Y45-Y55 HydrophobicContact CE1-CE2 4.13Å; Y45-Y55 AromaticContact CE1-CG 3.6Å; Y45-Y55 HydrophobicContact CE1-CG 3.6Å; Y45-L79 HydrophobicContact CD1-CD1 3.62Å; Y45-L79 HydrophobicContact CD2-CD1 3.55Å; Y45-L79 HydrophobicContact CE1-CD1 4.01Å; Y45-L79 HydrophobicContact CE2-CD1 3.95Å; Y45-L79 HydrophobicContact CG-CD1 3.37Å; Y45-C110 WeakPolarHBondContact CE2-SG 3.42Å
46	N	89.5	Confident	88.4	Confident	13 Å²	13	58.4 Å²	58.4	7%	0.07	27%	0.265	C	S	.	.	H	α-helix	trans	-63.8	-36.5	178.7	-79.3	-58.1	0	0	0	112.7	V42 K43 F44 R54 Y55 K86	V42-N46 WeakPolarHBondContact CG1-ND2 3.39Å; V42-N46 WeakPolarHBondContact O-CB 3.17Å; V42-N46 PolarHBondContact O-N 3.03Å; V42-N46 PolarHBondContact O-ND2 2.81Å; K43-N46 PolarHBondContact O-N 2.87Å; F44-N46 VanDerWaalsContact C-N 3.34Å; F44-N46 PolarHBondContact O-N 2.72Å; N46-R54 WeakPolarHBondContact OD1-CA 3.16Å; N46-R54 WeakPolarHBondContact OD1-CG 3.43Å; N46-Y55 PolarHBondContact ND2-O 2.69Å; N46-Y55 PolarHBondContact OD1-N 3.07Å; N46-K86 WeakPolarHBondContact O-CD 3.36Å; N46-K86 WeakPolarHBondContact O-CE 3.17Å; N46-K86 PolarHBondContact O-NZ 3.38Å
47	Q	87.4	Confident	88.9	Confident	119 Å²	119	53.7 Å²	53.7	56%	0.556	25%	0.248	S	C	*	.	H	α-helix	trans	-70.2	-40.3	179.6	-177.4	169.8	-27.5	0	0	112.5	K43 F44 Y45	K43-Q47 WeakPolarHBondContact O-CB 3.23Å; K43-Q47 PolarHBondContact O-N 3.34Å; F44-Q47 PolarHBondContact O-N 2.94Å; Y45-Q47 VanDerWaalsContact C-N 3.31Å; Y45-Q47 PolarHBondContact O-N 3.4Å
48	Y	84.9	Confident	89.2	Confident	111 Å²	111	53.2 Å²	53.2	44%	0.435	25%	0.246	S	C	.	.	H	α-helix	trans	-106.6	-17.7	-168.9	-63.1	-69.1	0	0	0	115.1	A9 F44 Y45	A9-Y48 HydrophobicContact CB-CE1 4.45Å; F44-Y48 HydrophobicContact CD1-CD2 4.13Å; F44-Y48 AromaticContact CD2-CD2 3.55Å; F44-Y48 HydrophobicContact CD2-CD2 3.55Å; F44-Y48 AromaticContact CD2-CE2 3.51Å; F44-Y48 HydrophobicContact CD2-CE2 3.51Å; F44-Y48 HydrophobicContact CE1-CD2 4.1Å; F44-Y48 AromaticContact CE2-CD2 3.52Å; F44-Y48 HydrophobicContact CE2-CD2 3.52Å; F44-Y48 AromaticContact CE2-CE2 3.53Å; F44-Y48 HydrophobicContact CE2-CE2 3.53Å; F44-Y48 AromaticContact CG-CD2 3.86Å; F44-Y48 HydrophobicContact CG-CD2 3.86Å; F44-Y48 HydrophobicContact CG-CE2 4.22Å; F44-Y48 AromaticContact CZ-CD2 3.8Å; F44-Y48 HydrophobicContact CZ-CD2 3.8Å; F44-Y48 HydrophobicContact CZ-CE2 4.25Å; F44-Y48 HydrophobicContact CZ-CG 4.5Å; F44-Y48 VanDerWaalsContact O-CD2 3.23Å; F44-Y48 WeakPolarHBondContact O-CD2 3.22Å; F44-Y48 PolarHBondContact O-N 3.35Å; Y45-Y48 PolarHBondContact O-N 3.26Å
49	S	86.7	Confident	89.5	Confident	26 Å²	26	53.1 Å²	53.1	18%	0.182	25%	0.245	C	C	.	.			trans	-70.3	144.5	175	101.1	0	0	0	0	110.9	Y45 E51 K86	Y45-S49 WeakPolarHBondContact O-CB 3.14Å; Y45-S49 PolarHBondContact O-N 2.76Å; S49-E51 PolarHBondContact O-N 2.86Å; S49-E51 WeakPolarHBondContact OG-CB 3.44Å; S49-E51 PolarHBondContact OG-N 2.79Å; S49-K86 PolarHBondContact O-NZ 2.59Å; S49-K86 PolarHBondContact OG-NZ 2.83Å
50	R	88.1	Confident	89.7	Confident	248 Å²	248	50.6 Å²	50.6	94%	0.936	23%	0.229	S	C	*	.			trans	-75.5	0.4	176.2	-62.9	-176.6	-178.9	177.6	0.4	113.3
51	E	89.4	Confident	90	Very high	84 Å²	84	51.4 Å²	51.4	39%	0.393	23%	0.231	S	C	.	.			trans	-68.6	134.7	179.5	-60.9	-58.5	146.7	0	0	110.6	S49 Y53 Y55 K86	S49-E51 PolarHBondContact O-N 2.86Å; S49-E51 WeakPolarHBondContact OG-CB 3.44Å; S49-E51 PolarHBondContact OG-N 2.79Å; E51-Y53 VanDerWaalsContact C-N 3.31Å; E51-Y53 PolarHBondContact O-N 3.45Å; E51-Y55 HydrophobicContact CB-CD2 4.46Å; E51-Y55 HydrophobicContact CB-CE2 3.76Å; E51-Y55 HydrophobicContact CG-CE2 3.8Å; E51-K86 WeakPolarHBondContact O-CD 3.22Å; E51-K86 WeakPolarHBondContact O-CE 3.46Å; E51-K86 PolarHBondContact O-NZ 2.89Å
52	P	88.8	Confident	90	Very high	81 Å²	81	53.6 Å²	53.6	53%	0.526	24%	0.241	S	C	.	.	S	Bend	trans	-76.5	-20.1	-177.1	26.2	-30.1	0	0	0	113.3	K86	P52-K86 PolarHBondContact O-N 2.84Å
53	Y	91	Very high	90	Very high	96 Å²	96	57.4 Å²	57.4	38%	0.376	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	152.7	-177.5	-60.2	-82.6	0	0	0	111.8	E51 T82 K86 K103	E51-Y53 VanDerWaalsContact C-N 3.31Å; E51-Y53 PolarHBondContact O-N 3.45Å; Y53-T82 WeakPolarHBondContact CB-O 3.39Å; Y53-K86 VanDerWaalsContact O-CE 3.24Å; Y53-K86 WeakPolarHBondContact O-CE 3.24Å; Y53-K103 VanDerWaalsContact CD1-NZ 3.31Å; Y53-K103 VanDerWaalsContact CE1-NZ 3.32Å
54	R	90.1	Very high	89.9	Confident	24 Å²	24	54.7 Å²	54.7	9%	0.091	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	140.2	176.2	-165.1	-177.6	-163.8	116.8	12.3	110.5	N46 T82 C84 K86 V89 E90	N46-R54 WeakPolarHBondContact OD1-CA 3.16Å; N46-R54 WeakPolarHBondContact OD1-CG 3.43Å; R54-T82 WeakPolarHBondContact O-CB 3.4Å; R54-T82 PolarHBondContact O-N 3.23Å; R54-T82 PolarHBondContact O-OG1 2.69Å; R54-C84 PolarHBondContact N-O 3.34Å; R54-K86 HydrophobicContact CB-CG 4.34Å; R54-V89 PolarHBondContact NH1-O 3.09Å; R54-E90 PolarHBondContact NH1-O 3.37Å
55	Y	92.5	Very high	89.8	Confident	11 Å²	11	57.7 Å²	57.7	4%	0.043	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	146	169.9	-79.1	-109.5	0	0	0	111	V42 Y45 N46 E51 L79 A80 P81 G106 Q108	V42-Y55 WeakPolarHBondContact CG1-O 3.18Å; Y45-Y55 HydrophobicContact CD1-CD2 4.42Å; Y45-Y55 HydrophobicContact CD1-CG 4.18Å; Y45-Y55 HydrophobicContact CE1-CD1 4.06Å; Y45-Y55 AromaticContact CE1-CD2 3.65Å; Y45-Y55 HydrophobicContact CE1-CD2 3.65Å; Y45-Y55 HydrophobicContact CE1-CE1 4.48Å; Y45-Y55 HydrophobicContact CE1-CE2 4.13Å; Y45-Y55 AromaticContact CE1-CG 3.6Å; Y45-Y55 HydrophobicContact CE1-CG 3.6Å; N46-Y55 PolarHBondContact ND2-O 2.69Å; N46-Y55 PolarHBondContact OD1-N 3.07Å; E51-Y55 HydrophobicContact CB-CD2 4.46Å; E51-Y55 HydrophobicContact CB-CE2 3.76Å; E51-Y55 HydrophobicContact CG-CE2 3.8Å; Y55-L79 HydrophobicContact CD1-CB 3.68Å; Y55-L79 HydrophobicContact CG-CB 4.37Å; Y55-A80 CarbonylContact C-O 3.52Å; Y55-A80 VanDerWaalsContact CA-O 3.24Å; Y55-A80 WeakPolarHBondContact CA-O 3.48Å; Y55-A80 VanDerWaalsContact CD1-C 3.48Å; Y55-P81 HydrophobicContact CD1-CB 4.21Å; Y55-P81 HydrophobicContact CD2-CB 4.33Å; Y55-P81 HydrophobicContact CE1-CB 3.79Å; Y55-P81 HydrophobicContact CE1-CG 3.96Å; Y55-P81 HydrophobicContact CE2-CB 3.88Å; Y55-P81 HydrophobicContact CG-CB 4.49Å; Y55-G106 WeakPolarHBondContact CE1-O 3.2Å; Y55-G106 PolarHBondContact OH-O 2.76Å; Y55-Q108 HydrophobicContact CE1-CB 4.42Å; Y55-Q108 HydrophobicContact CE1-CG 3.98Å
56	V	92.6	Very high	89.3	Confident	1 Å²	1	61.5 Å²	61.5	1%	0.006	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	156.8	170.9	-60.7	0	0	0	0	109.6	F58 L79 A80 T82 V92 I94 L97 L102	V56-F58 PolarHBondContact O-N 2.75Å; V56-L79 CarbonylContact O-C 3.52Å; V56-L79 WeakPolarHBondContact O-CA 3.02Å; V56-A80 HydrophobicContact CG2-CB 4.46Å; V56-A80 PolarHBondContact N-O 2.85Å; V56-A80 PolarHBondContact O-N 2.98Å; V56-T82 HydrophobicContact CG1-CG2 3.94Å; V56-T82 HydrophobicContact CG2-CG2 4.38Å; V56-V92 WeakPolarHBondContact CG1-O 3.21Å; V56-I94 HydrophobicContact CG2-CB 4.36Å; V56-L97 HydrophobicContact CG1-CD2 3.98Å; V56-L97 HydrophobicContact CG2-CD2 4.19Å; V56-L102 HydrophobicContact CG2-CD2 3.63Å
57	A	93.1	Very high	88.6	Confident	4 Å²	4	65.7 Å²	65.7	3%	0.033	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	125	169.4	0	0	0	0	0	109.5	L38 V42 I77 I94 L146	L38-A57 HydrophobicContact CD1-CB 3.85Å; L38-A57 HydrophobicContact CD2-CB 3.81Å; L38-A57 HydrophobicContact CG-CB 4.03Å; V42-A57 HydrophobicContact CG2-CB 3.78Å; A57-I77 HydrophobicContact CB-CG2 4.14Å; A57-I94 WeakPolarHBondContact O-CB 3.23Å; A57-I94 WeakPolarHBondContact O-CG2 3.04Å; A57-L146 HydrophobicContact CB-CD2 3.75Å
58	F	93.3	Very high	88.1	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	-35.5	175.2	-175.2	-99.5	0	0	0	112	V56 L78 A80 I94 L102 F107 P137 R138 P140 L146 F194 W392 I394 F395	V56-F58 PolarHBondContact O-N 2.75Å; F58-L78 HydrophobicContact CD1-CD2 3.81Å; F58-L78 HydrophobicContact CD1-CG 4.46Å; F58-L78 PolarHBondContact N-O 2.91Å; F58-A80 HydrophobicContact CB-CB 3.82Å; F58-A80 HydrophobicContact CD2-CB 4.4Å; F58-A80 HydrophobicContact CG-CB 4.34Å; F58-I94 HydrophobicContact CB-CD1 4.34Å; F58-I94 HydrophobicContact CD2-CD1 3.27Å; F58-I94 HydrophobicContact CE2-CD1 3.8Å; F58-I94 HydrophobicContact CG-CD1 4.14Å; F58-L102 HydrophobicContact CD2-CD1 3.83Å; F58-L102 HydrophobicContact CE2-CD1 4.17Å; F58-F107 HydrophobicContact CB-CE1 4.21Å; F58-F107 AromaticContact CD1-CE1 3.89Å; F58-F107 HydrophobicContact CD1-CE1 3.89Å; F58-F107 HydrophobicContact CD2-CE1 4.23Å; F58-F107 HydrophobicContact CE1-CE1 4.32Å; F58-F107 AromaticContact CG-CE1 3.84Å; F58-F107 HydrophobicContact CG-CE1 3.84Å; F58-P137 HydrophobicContact CE1-CB 4.42Å; F58-R138 WeakPolarHBondContact CE1-O 3.43Å; F58-P140 HydrophobicContact CD1-CG 4.36Å; F58-P140 HydrophobicContact CE1-CG 4.09Å; F58-P140 HydrophobicContact CZ-CG 4.19Å; F58-P140 WeakPolarHBondContact O-CB 3.41Å; F58-P140 WeakPolarHBondContact O-CG 2.96Å; F58-L146 WeakPolarHBondContact O-CD1 3.22Å; F58-F194 HydrophobicContact CD2-CZ 4.48Å; F58-F194 HydrophobicContact CE2-CE2 4.02Å; F58-F194 HydrophobicContact CE2-CZ 4.13Å; F58-W392 HydrophobicContact CD2-CZ3 4.37Å; F58-W392 HydrophobicContact CE2-CH2 4.43Å; F58-W392 AromaticContact CE2-CZ3 3.61Å; F58-W392 HydrophobicContact CE2-CZ3 3.61Å; F58-W392 AromaticContact CZ-CZ3 3.93Å; F58-W392 HydrophobicContact CZ-CZ3 3.93Å; F58-I394 HydrophobicContact CZ-CG2 4.4Å; F58-F395 HydrophobicContact CE2-CZ 4.12Å; F58-F395 HydrophobicContact CZ-CE1 4.09Å; F58-F395 AromaticContact CZ-CZ 3.78Å; F58-F395 HydrophobicContact CZ-CZ 3.78Å
59	D	93.8	Very high	87.7	Confident	0 Å²	0	70.9 Å²	70.9	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	152.6	170.6	179.9	39	0	0	0	108.5	L78 R138 P140 V141	D59-L78 HydrophobicContact CB-CB 3.93Å; D59-L78 HydrophobicContact CB-CD2 4.2Å; D59-L78 PolarHBondContact N-O 3.05Å; D59-L78 PolarHBondContact O-N 2.95Å; D59-R138 IonicContact OD2-CZ 3.43Å; D59-R138 IonicContact OD2-NE 3.15Å; D59-R138 PolarHBondContact OD2-NE 3.21Å; D59-R138 IonicContact OD2-NH2 3.39Å; D59-R138 PolarHBondContact OD2-NH2 3.17Å; D59-P140 HydrophobicContact CB-CB 4.22Å; D59-P140 WeakPolarHBondContact OD1-CA 2.95Å; D59-V141 PolarHBondContact OD1-N 3.12Å
60	A	92.7	Very high	87.4	Confident	0 Å²	0	69.9 Å²	69.9	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	137.1	-179.6	0	0	0	0	0	110.8	L34 L38 I77 N142	L34-A60 HydrophobicContact CD1-CB 4.03Å; L34-A60 HydrophobicContact CD2-CB 3.98Å; L34-A60 HydrophobicContact CG-CB 4.41Å; L38-A60 HydrophobicContact CD1-CB 3.96Å; L38-A60 HydrophobicContact CD2-CB 4.3Å; A60-I77 HydrophobicContact CB-CG1 4.35Å; A60-N142 PolarHBondContact O-ND2 3.38Å
61	N	91.8	Very high	87.2	Confident	70 Å²	70	60.5 Å²	60.5	37%	0.374	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	156	172.7	-162.7	12.3	0	0	0	110.6	S76	N61-S76 PolarHBondContact N-O 2.83Å; N61-S76 PolarHBondContact O-N 3.36Å
62	Q	90.3	Very high	87.1	Confident	47 Å²	47	59.2 Å²	59.2	22%	0.22	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	147.5	176.4	61.8	167.9	25	0	0	111.4	P33 L34 Y74 F75	P33-Q62 VanDerWaalsContact CD-OE1 3.27Å; L34-Q62 HydrophobicContact CB-CB 4.02Å; L34-Q62 HydrophobicContact CB-CG 3.95Å; L34-Q62 HydrophobicContact CD2-CB 4.1Å; L34-Q62 HydrophobicContact CD2-CG 4.12Å; Q62-Y74 CarbonylContact C-O 3.52Å; Q62-Y74 VanDerWaalsContact CA-O 3.28Å; Q62-Y74 WeakPolarHBondContact CA-O 3.33Å; Q62-F75 HydrophobicContact CB-CD1 3.81Å; Q62-F75 HydrophobicContact CB-CE1 4.09Å
63	T	89.3	Confident	87.1	Confident	79 Å²	79	56.3 Å²	56.3	49%	0.485	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	145.8	164.7	62.4	0	0	0	0	109.7	Y73 Y74	T63-Y73 WeakPolarHBondContact O-CA 3.41Å; T63-Y74 PolarHBondContact N-O 3.29Å; T63-Y74 PolarHBondContact O-N 3.16Å
64	L	85.7	Confident	87.1	Confident	76 Å²	76	54.3 Å²	54.3	40%	0.398	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	130.4	179.3	173.4	57.2	0	0	0	109.3	T66 Y71 Y73	L64-T66 HydrophobicContact CD1-CG2 4.02Å; L64-T66 HydrophobicContact CD2-CG2 3.82Å; L64-T66 HydrophobicContact CG-CG2 3.73Å; L64-Y71 HydrophobicContact CD1-CD1 4.04Å; L64-Y71 HydrophobicContact CD2-CD1 4.48Å; L64-Y73 HydrophobicContact CB-CD1 4.04Å; L64-Y73 HydrophobicContact CB-CE1 3.86Å; L64-Y73 HydrophobicContact CD1-CD1 3.7Å; L64-Y73 HydrophobicContact CD1-CD2 4.12Å; L64-Y73 HydrophobicContact CD1-CE1 3.34Å; L64-Y73 HydrophobicContact CD1-CE2 3.8Å; L64-Y73 HydrophobicContact CD1-CG 4.06Å; L64-Y73 HydrophobicContact CD2-CE1 3.88Å; L64-Y73 HydrophobicContact CG-CD1 4.35Å; L64-Y73 HydrophobicContact CG-CE1 3.86Å
65	Q	84.2	Confident	87.2	Confident	108 Å²	108	53.2 Å²	53.2	51%	0.505	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	125.9	165.3	-69.7	-177.8	-12.1	0	0	109.2	K72 Y74	Q65-K72 PolarHBondContact N-O 3.32Å; Q65-K72 PolarHBondContact O-N 3.06Å; Q65-Y74 HydrophobicContact CB-CE2 4.17Å; Q65-Y74 HydrophobicContact CG-CD2 4.4Å; Q65-Y74 HydrophobicContact CG-CE2 3.8Å; Q65-Y74 PolarHBondContact OE1-OH 3.34Å
66	T	80.6	Confident	87.3	Confident	94 Å²	94	54.2 Å²	54.2	58%	0.577	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112	141.3	180	62	0	0	0	0	111	L64 Y71	L64-T66 HydrophobicContact CD1-CG2 4.02Å; L64-T66 HydrophobicContact CD2-CG2 3.82Å; L64-T66 HydrophobicContact CG-CG2 3.73Å; T66-Y71 HydrophobicContact CG2-CD1 3.6Å; T66-Y71 HydrophobicContact CG2-CE1 3.84Å
67	N	74.9	Confident	87.4	Confident	100 Å²	100	54.2 Å²	54.2	54%	0.535	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	-179.9	167.4	67.3	36.7	0	0	0	111	K69 G70	N67-K69 PolarHBondContact O-N 2.91Å; N67-K69 WeakPolarHBondContact OD1-CA 3.45Å; N67-K69 WeakPolarHBondContact OD1-CB 3.49Å; N67-K69 PolarHBondContact OD1-N 3.33Å; N67-G70 PolarHBondContact N-O 3.11Å; N67-G70 PolarHBondContact O-N 2.92Å; N67-G70 VanDerWaalsContact O-O 3.13Å; N67-G70 PolarHBondContact OD1-N 3.17Å; N67-G70 PolarHBondContact OD1-O 3.14Å
68	I	76.3	Confident	87.5	Confident	166 Å²	166	54 Å²	54	85%	0.851	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-30.9	-179	-57.3	171.2	0	0	0	111.7
69	K	75.6	Confident	87.5	Confident	173 Å²	173	54 Å²	54	75%	0.752	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-17.6	-174.7	-61.9	-176.1	178	-179.4	0	113.8	N67 R117 K118	N67-K69 PolarHBondContact O-N 2.91Å; N67-K69 WeakPolarHBondContact OD1-CA 3.45Å; N67-K69 WeakPolarHBondContact OD1-CB 3.49Å; N67-K69 PolarHBondContact OD1-N 3.33Å; K69-R117 WeakPolarHBondContact O-CA 3.39Å; K69-K118 PolarHBondContact O-N 3.17Å
70	G	81.9	Confident	87.5	Confident	5 Å²	5	54 Å²	54	5%	0.052	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	165.1	-167.2	-169	0	0	0	0	0	115.8	N67 F116	N67-G70 PolarHBondContact N-O 3.11Å; N67-G70 PolarHBondContact O-N 2.92Å; N67-G70 VanDerWaalsContact O-O 3.13Å; N67-G70 PolarHBondContact OD1-N 3.17Å; N67-G70 PolarHBondContact OD1-O 3.14Å; G70-F116 CarbonylContact C-O 3.49Å; G70-F116 WeakPolarHBondContact CA-O 3.37Å
71	Y	83.1	Confident	87.5	Confident	51 Å²	51	54.3 Å²	54.3	20%	0.2	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	141.7	-179.7	-56.7	-93.6	0	0	0	109	L64 T66 F116 K118	L64-Y71 HydrophobicContact CD1-CD1 4.04Å; L64-Y71 HydrophobicContact CD2-CD1 4.48Å; T66-Y71 HydrophobicContact CG2-CD1 3.6Å; T66-Y71 HydrophobicContact CG2-CE1 3.84Å; Y71-F116 HydrophobicContact CD2-CD1 4.07Å; Y71-F116 PolarHBondContact N-O 3.11Å; Y71-F116 PolarHBondContact O-N 3.5Å; Y71-K118 HydrophobicContact CD2-CG 4.34Å; Y71-K118 HydrophobicContact CE2-CD 4.38Å; Y71-K118 HydrophobicContact CE2-CG 3.71Å; Y71-K118 WeakPolarHBondContact OH-CE 3.21Å
72	K	87.2	Confident	87.4	Confident	58 Å²	58	51 Å²	51	25%	0.252	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	112.5	171.2	-167.4	172	177.5	-157.1	0	108.6	Q65 Y74 V113 L114	Q65-K72 PolarHBondContact N-O 3.32Å; Q65-K72 PolarHBondContact O-N 3.06Å; K72-Y74 HydrophobicContact CB-CE2 4.3Å; K72-Y74 HydrophobicContact CD-CE1 4.36Å; K72-Y74 HydrophobicContact CD-CE2 4.05Å; K72-Y74 VanDerWaalsContact CD-OH 3.27Å; K72-Y74 WeakPolarHBondContact CD-OH 3.31Å; K72-Y74 VanDerWaalsContact CE-OH 3.28Å; K72-Y74 WeakPolarHBondContact CE-OH 3.47Å; K72-Y74 HydrophobicContact CG-CE2 3.86Å; K72-Y74 PolarHBondContact NZ-OH 3.47Å; K72-V113 HydrophobicContact CD-CG1 4.16Å; K72-V113 HydrophobicContact CG-CG1 3.89Å; K72-L114 CarbonylContact C-O 3.6Å; K72-L114 WeakPolarHBondContact CA-O 3.31Å
73	Y	88.7	Confident	87.4	Confident	19 Å²	19	52.8 Å²	52.8	8%	0.075	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	135.6	174.1	-65.1	-88.7	0	0	0	109.3	L29 P33 T63 L64 F75 V113 L114	L29-Y73 HydrophobicContact CD1-CE2 4.14Å; L29-Y73 WeakPolarHBondContact CD1-OH 3.5Å; P33-Y73 HydrophobicContact CG-CD1 3.3Å; P33-Y73 HydrophobicContact CG-CD2 4.09Å; P33-Y73 HydrophobicContact CG-CE1 3.28Å; P33-Y73 HydrophobicContact CG-CE2 4.08Å; P33-Y73 HydrophobicContact CG-CG 3.73Å; T63-Y73 WeakPolarHBondContact O-CA 3.41Å; L64-Y73 HydrophobicContact CB-CD1 4.04Å; L64-Y73 HydrophobicContact CB-CE1 3.86Å; L64-Y73 HydrophobicContact CD1-CD1 3.7Å; L64-Y73 HydrophobicContact CD1-CD2 4.12Å; L64-Y73 HydrophobicContact CD1-CE1 3.34Å; L64-Y73 HydrophobicContact CD1-CE2 3.8Å; L64-Y73 HydrophobicContact CD1-CG 4.06Å; L64-Y73 HydrophobicContact CD2-CE1 3.88Å; L64-Y73 HydrophobicContact CG-CD1 4.35Å; L64-Y73 HydrophobicContact CG-CE1 3.86Å; Y73-F75 VanDerWaalsContact CB-CZ 3.45Å; Y73-F75 HydrophobicContact CG-CZ 4.11Å; Y73-V113 WeakPolarHBondContact O-CA 3.48Å; Y73-L114 HydrophobicContact CD2-CD2 4.35Å; Y73-L114 PolarHBondContact N-O 3.03Å; Y73-L114 PolarHBondContact O-N 3.3Å
74	Y	91.2	Very high	87.5	Confident	54 Å²	54	49.8 Å²	49.8	21%	0.212	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	120.3	170.5	-58.6	-98.1	0	0	0	107.7	Q62 T63 Q65 K72 F112 V113	Q62-Y74 CarbonylContact C-O 3.52Å; Q62-Y74 VanDerWaalsContact CA-O 3.28Å; Q62-Y74 WeakPolarHBondContact CA-O 3.33Å; T63-Y74 PolarHBondContact N-O 3.29Å; T63-Y74 PolarHBondContact O-N 3.16Å; Q65-Y74 HydrophobicContact CB-CE2 4.17Å; Q65-Y74 HydrophobicContact CG-CD2 4.4Å; Q65-Y74 HydrophobicContact CG-CE2 3.8Å; Q65-Y74 PolarHBondContact OE1-OH 3.34Å; K72-Y74 HydrophobicContact CB-CE2 4.3Å; K72-Y74 HydrophobicContact CD-CE1 4.36Å; K72-Y74 HydrophobicContact CD-CE2 4.05Å; K72-Y74 VanDerWaalsContact CD-OH 3.27Å; K72-Y74 WeakPolarHBondContact CD-OH 3.31Å; K72-Y74 VanDerWaalsContact CE-OH 3.28Å; K72-Y74 WeakPolarHBondContact CE-OH 3.47Å; K72-Y74 HydrophobicContact CG-CE2 3.86Å; K72-Y74 PolarHBondContact NZ-OH 3.47Å; Y74-F112 WeakPolarHBondContact CA-O 3.28Å; Y74-V113 HydrophobicContact CD1-CG2 3.74Å; Y74-V113 HydrophobicContact CE1-CG2 3.99Å
75	F	92.5	Very high	87.7	Confident	1 Å²	1	47 Å²	47	0%	0.004	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	125.9	176	-50.6	-79.6	0	0	0	108.2	P33 L34 L37 L41 Q62 Y73 D111 F112 L114	P33-F75 HydrophobicContact CB-CE1 4.16Å; P33-F75 HydrophobicContact CB-CZ 3.96Å; P33-F75 HydrophobicContact CG-CE1 4.02Å; P33-F75 HydrophobicContact CG-CZ 3.98Å; L34-F75 HydrophobicContact CB-CD1 4.05Å; L34-F75 HydrophobicContact CB-CE1 4.07Å; L34-F75 HydrophobicContact CD1-CD1 3.78Å; L34-F75 HydrophobicContact CG-CD1 4.48Å; L37-F75 HydrophobicContact CD1-CE2 4.18Å; L37-F75 HydrophobicContact CD1-CZ 3.88Å; L41-F75 HydrophobicContact CD1-CB 4.11Å; L41-F75 HydrophobicContact CD1-CD2 4.22Å; L41-F75 HydrophobicContact CD1-CG 4.04Å; Q62-F75 HydrophobicContact CB-CD1 3.81Å; Q62-F75 HydrophobicContact CB-CE1 4.09Å; Y73-F75 VanDerWaalsContact CB-CZ 3.45Å; Y73-F75 HydrophobicContact CG-CZ 4.11Å; F75-D111 CarbonylContact O-C 3.51Å; F75-D111 VanDerWaalsContact O-CA 3.27Å; F75-D111 WeakPolarHBondContact O-CA 3.46Å; F75-F112 HydrophobicContact CB-CB 4.28Å; F75-F112 HydrophobicContact CD2-CB 4.24Å; F75-F112 PolarHBondContact N-O 3.43Å; F75-F112 PolarHBondContact O-N 3.14Å; F75-L114 HydrophobicContact CE2-CB 3.76Å; F75-L114 HydrophobicContact CZ-CB 4.46Å
76	S	93.6	Very high	87.8	Confident	33 Å²	33	44.2 Å²	44.2	23%	0.231	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	106	175.5	-155.9	0	0	0	0	107.6	N61 Q109 D111	N61-S76 PolarHBondContact N-O 2.83Å; N61-S76 PolarHBondContact O-N 3.36Å; S76-Q109 VanDerWaalsContact C-NE2 3.27Å; S76-Q109 PolarHBondContact OG-NE2 3.17Å; S76-D111 VanDerWaalsContact CB-OD1 3.31Å; S76-D111 WeakPolarHBondContact CB-OD1 3.49Å; S76-D111 PolarHBondContact OG-OD1 3.06Å
77	I	94.7	Very high	87.9	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	124.4	-173.8	-58.4	168.3	0	0	0	109.1	L38 L41 A57 A60 L79 Q109 C110 F112	L38-I77 HydrophobicContact CD1-CD1 3.49Å; L38-I77 VanDerWaalsContact CD1-CD1 3.49Å; L38-I77 HydrophobicContact CD1-CG1 3.82Å; L38-I77 HydrophobicContact CD1-CG2 4Å; L41-I77 HydrophobicContact CB-CD1 3.52Å; L41-I77 HydrophobicContact CD1-CD1 3.42Å; L41-I77 VanDerWaalsContact CD1-CD1 3.42Å; L41-I77 HydrophobicContact CG-CD1 4.03Å; A57-I77 HydrophobicContact CB-CG2 4.14Å; A60-I77 HydrophobicContact CB-CG1 4.35Å; I77-L79 HydrophobicContact CG2-CD2 3.62Å; I77-L79 HydrophobicContact CG2-CG 3.93Å; I77-Q109 CarbonylContact O-C 3.32Å; I77-Q109 WeakPolarHBondContact O-CA 3.48Å; I77-C110 PolarHBondContact N-O 3.33Å; I77-C110 PolarHBondContact O-N 3.14Å; I77-F112 HydrophobicContact CD1-CD2 3.95Å; I77-F112 HydrophobicContact CD1-CE2 3.95Å
78	L	95.2	Very high	88	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	111.7	167.8	-175.9	59.2	0	0	0	108.5	F58 D59 F107 Q109 A135 R138	F58-L78 HydrophobicContact CD1-CD2 3.81Å; F58-L78 HydrophobicContact CD1-CG 4.46Å; F58-L78 PolarHBondContact N-O 2.91Å; D59-L78 HydrophobicContact CB-CB 3.93Å; D59-L78 HydrophobicContact CB-CD2 4.2Å; D59-L78 PolarHBondContact N-O 3.05Å; D59-L78 PolarHBondContact O-N 2.95Å; L78-F107 HydrophobicContact CD1-CB 4.05Å; L78-F107 HydrophobicContact CD1-CD1 4.16Å; L78-F107 HydrophobicContact CD2-CD1 4.39Å; L78-F107 HydrophobicContact CG-CD1 4.13Å; L78-Q109 VanDerWaalsContact CB-OE1 3.26Å; L78-A135 HydrophobicContact CD1-CB 3.69Å; L78-R138 HydrophobicContact CD2-CG 4.11Å
79	L	94.7	Very high	87.5	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	131.5	179.4	-63.3	171.5	0	0	0	110.1	V42 Y45 Y55 V56 I77 F107 Q108 C110	V42-L79 HydrophobicContact CG2-CD2 3.89Å; Y45-L79 HydrophobicContact CD1-CD1 3.62Å; Y45-L79 HydrophobicContact CD2-CD1 3.55Å; Y45-L79 HydrophobicContact CE1-CD1 4.01Å; Y45-L79 HydrophobicContact CE2-CD1 3.95Å; Y45-L79 HydrophobicContact CG-CD1 3.37Å; Y55-L79 HydrophobicContact CD1-CB 3.68Å; Y55-L79 HydrophobicContact CG-CB 4.37Å; V56-L79 CarbonylContact O-C 3.52Å; V56-L79 WeakPolarHBondContact O-CA 3.02Å; I77-L79 HydrophobicContact CG2-CD2 3.62Å; I77-L79 HydrophobicContact CG2-CG 3.93Å; L79-F107 VanDerWaalsContact O-CA 3.32Å; L79-F107 WeakPolarHBondContact O-CA 3.49Å; L79-Q108 PolarHBondContact N-O 3.4Å; L79-Q108 PolarHBondContact O-N 3.32Å; L79-C110 HydrophobicContact CD1-CB 4.16Å
80	A	92.6	Very high	87.2	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	131.7	176.3	0	0	0	0	0	111.4	Y55 V56 F58 L102 F107	Y55-A80 CarbonylContact C-O 3.52Å; Y55-A80 VanDerWaalsContact CA-O 3.24Å; Y55-A80 WeakPolarHBondContact CA-O 3.48Å; Y55-A80 VanDerWaalsContact CD1-C 3.48Å; V56-A80 HydrophobicContact CG2-CB 4.46Å; V56-A80 PolarHBondContact N-O 2.85Å; V56-A80 PolarHBondContact O-N 2.98Å; F58-A80 HydrophobicContact CB-CB 3.82Å; F58-A80 HydrophobicContact CD2-CB 4.4Å; F58-A80 HydrophobicContact CG-CB 4.34Å; A80-L102 HydrophobicContact CB-CD1 3.87Å; A80-L102 HydrophobicContact CB-CD2 3.77Å; A80-L102 HydrophobicContact CB-CG 4.45Å; A80-F107 HydrophobicContact CB-CD1 3.75Å; A80-F107 HydrophobicContact CB-CE1 3.43Å; A80-F107 VanDerWaalsContact CB-CE1 3.43Å; A80-F107 HydrophobicContact CB-CZ 4.1Å
81	P	92.6	Very high	86.4	Confident	5 Å²	5	48.7 Å²	48.7	3%	0.032	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	144.4	175.6	24.4	-26	0	0	0	111.6	Y55 K103 Y105	Y55-P81 HydrophobicContact CD1-CB 4.21Å; Y55-P81 HydrophobicContact CD2-CB 4.33Å; Y55-P81 HydrophobicContact CE1-CB 3.79Å; Y55-P81 HydrophobicContact CE1-CG 3.96Å; Y55-P81 HydrophobicContact CE2-CB 3.88Å; Y55-P81 HydrophobicContact CG-CB 4.49Å; P81-K103 HydrophobicContact CB-CB 4.4Å; P81-K103 HydrophobicContact CB-CD 4.27Å; P81-K103 HydrophobicContact CG-CB 4.1Å; P81-K103 PolarHBondContact O-N 3.42Å; P81-Y105 WeakPolarHBondContact CG-O 3.02Å
82	T	91.7	Very high	85.9	Confident	1 Å²	1	47.3 Å²	47.3	1%	0.006	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	170	173.1	68.6	0	0	0	0	111	Y53 R54 V56 C84 L97 L101 L102 K103	Y53-T82 WeakPolarHBondContact CB-O 3.39Å; R54-T82 WeakPolarHBondContact O-CB 3.4Å; R54-T82 PolarHBondContact O-N 3.23Å; R54-T82 PolarHBondContact O-OG1 2.69Å; V56-T82 HydrophobicContact CG1-CG2 3.94Å; V56-T82 HydrophobicContact CG2-CG2 4.38Å; T82-C84 VanDerWaalsContact C-N 3.26Å; T82-C84 PolarHBondContact OG1-N 3.4Å; T82-C84 PolarHBondContact OG1-O 2.82Å; T82-L97 HydrophobicContact CG2-CD2 4.24Å; T82-L101 CarbonylContact C-O 3.55Å; T82-L101 VanDerWaalsContact CA-O 3.31Å; T82-L101 WeakPolarHBondContact CA-O 3.45Å; T82-L102 HydrophobicContact CG2-CD2 3.95Å; T82-K103 WeakPolarHBondContact O-CE 3.21Å
83	I	89.8	Confident	85.7	Confident	84 Å²	84	45.3 Å²	45.3	43%	0.431	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	-13.8	168.3	64.4	171.2	0	0	0	113.1	L101 K103	I83-L101 HydrophobicContact CD1-CB 4.04Å; I83-L101 HydrophobicContact CD1-CD1 4.48Å; I83-L101 HydrophobicContact CD1-CG 4.34Å; I83-L101 HydrophobicContact CG1-CB 4.3Å; I83-L101 PolarHBondContact N-O 2.92Å; I83-K103 HydrophobicContact CG2-CG 4.01Å
84	C	90.6	Very high	85.7	Confident	16 Å²	16	44.5 Å²	44.5	11%	0.108	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	132.6	-176.2	-73	0	0	0	0	111.6	R54 T82 V89 C100	R54-C84 PolarHBondContact N-O 3.34Å; T82-C84 VanDerWaalsContact C-N 3.26Å; T82-C84 PolarHBondContact OG1-N 3.4Å; T82-C84 PolarHBondContact OG1-O 2.82Å; C84-V89 HydrophobicContact CB-CG2 4.02Å; C84-C100 HydrophobicContact CB-CB 3.93Å; C84-C100 WeakPolarHBondContact CB-SG 3.48Å; C84-C100 WeakPolarHBondContact SG-CA 3.43Å; C84-C100 WeakPolarHBondContact SG-CB 3.41Å; C84-C100 CovalentContact SG-SG 2.04Å; C84-C100 PolarHBondContact SG-SG 3.2Å
85	P	89.7	Confident	85.6	Confident	19 Å²	19	43 Å²	43	12%	0.123	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	152.2	173.6	31.9	-34.4	0	0	0	110.9	Y87 Q88	P85-Y87 HydrophobicContact CB-CD1 3.77Å; P85-Y87 HydrophobicContact CB-CE1 3.35Å; P85-Y87 HydrophobicContact CG-CD1 4.31Å; P85-Y87 HydrophobicContact CG-CE1 3.77Å; P85-Y87 HydrophobicContact CG-CE2 4.32Å; P85-Y87 PolarHBondContact O-N 3.38Å; P85-Y87 VanDerWaalsContact O-N 3.12Å; P85-Q88 HydrophobicContact CG-CB 4.07Å; P85-Q88 HydrophobicContact CG-CG 3.74Å; P85-Q88 PolarHBondContact O-N 2.87Å
86	K	87.6	Confident	85.3	Confident	49 Å²	49	48.9 Å²	48.9	21%	0.213	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-25.8	-175.6	-70	175.4	172.1	-178.8	0	114.5	N46 S49 E51 P52 Y53 R54	N46-K86 WeakPolarHBondContact O-CD 3.36Å; N46-K86 WeakPolarHBondContact O-CE 3.17Å; N46-K86 PolarHBondContact O-NZ 3.38Å; S49-K86 PolarHBondContact O-NZ 2.59Å; S49-K86 PolarHBondContact OG-NZ 2.83Å; E51-K86 WeakPolarHBondContact O-CD 3.22Å; E51-K86 WeakPolarHBondContact O-CE 3.46Å; E51-K86 PolarHBondContact O-NZ 2.89Å; P52-K86 PolarHBondContact O-N 2.84Å; Y53-K86 VanDerWaalsContact O-CE 3.24Å; Y53-K86 WeakPolarHBondContact O-CE 3.24Å; R54-K86 HydrophobicContact CB-CG 4.34Å
87	Y	82.9	Confident	84.8	Confident	188 Å²	188	48 Å²	48	74%	0.737	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-8.2	-174	63.6	-94.2	0	0	0	115	P85	P85-Y87 HydrophobicContact CB-CD1 3.77Å; P85-Y87 HydrophobicContact CB-CE1 3.35Å; P85-Y87 HydrophobicContact CG-CD1 4.31Å; P85-Y87 HydrophobicContact CG-CE1 3.77Å; P85-Y87 HydrophobicContact CG-CE2 4.32Å; P85-Y87 PolarHBondContact O-N 3.38Å; P85-Y87 VanDerWaalsContact O-N 3.12Å
88	Q	75.2	Confident	84.2	Confident	129 Å²	129	50.9 Å²	50.9	60%	0.603	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.2	-17.3	-172.3	-71.2	-174.5	-34.6	0	0	115.5	P85	P85-Q88 HydrophobicContact CG-CB 4.07Å; P85-Q88 HydrophobicContact CG-CG 3.74Å; P85-Q88 PolarHBondContact O-N 2.87Å
89	V	65.9	Low	83.6	Confident	49 Å²	49	56.3 Å²	56.3	30%	0.297	30%	0.295	S	S	.	.			trans	-133.8	146.1	-166.7	-167.7	0	0	0	0	109.6	R54 C84 V92	R54-V89 PolarHBondContact NH1-O 3.09Å; C84-V89 HydrophobicContact CB-CG2 4.02Å; V89-V92 HydrophobicContact CG1-CG2 3.62Å
90	E	70.7	Confident	83.1	Confident	174 Å²	174	56.5 Å²	56.5	81%	0.813	30%	0.296	S	S	*	.			trans	-77.1	177.3	171.8	-136.1	169.5	-162.8	0	0	111.5	R54 V92	R54-E90 PolarHBondContact NH1-O 3.37Å; E90-V92 WeakPolarHBondContact O-CG2 3.34Å; E90-V92 PolarHBondContact O-N 2.75Å
91	Y	64.8	Low	82.7	Confident	91 Å²	91	61.8 Å²	61.8	36%	0.357	32%	0.323	S	S	.	.			trans	-57.2	127.3	179	177.6	-88.7	0	0	0	111.9	P39 V42	P39-Y91 HydrophobicContact CB-CE1 4.31Å; P39-Y91 HydrophobicContact CB-CE2 4.25Å; V42-Y91 HydrophobicContact CB-CE2 3.96Å; V42-Y91 HydrophobicContact CG1-CD2 4.43Å; V42-Y91 HydrophobicContact CG1-CE2 3.77Å
92	V	71.4	Confident	82.5	Confident	22 Å²	22	62.4 Å²	62.4	13%	0.133	33%	0.327	C	S	.	.			trans	-126.3	129.5	177.9	-137	0	0	0	0	108.4	V56 V89 E90 H96	V56-V92 WeakPolarHBondContact CG1-O 3.21Å; V89-V92 HydrophobicContact CG1-CG2 3.62Å; E90-V92 WeakPolarHBondContact O-CG2 3.34Å; E90-V92 PolarHBondContact O-N 2.75Å; V92-H96 HydrophobicContact CG1-CB 4.26Å; V92-H96 WeakPolarHBondContact CG1-O 3.22Å
93	S	83.1	Confident	82.3	Confident	17 Å²	17	65.1 Å²	65.1	12%	0.119	34%	0.338	C	S	.	.			trans	-81.4	162	167.7	76.7	0	0	0	0	110.1	A95 H96 L97	S93-A95 PolarHBondContact O-N 3.4Å; S93-A95 PolarHBondContact OG-N 3.43Å; S93-H96 CarbonylContact O-C 3.59Å; S93-H96 PolarHBondContact O-N 2.81Å; S93-H96 PolarHBondContact OG-ND1 2.97Å; S93-L97 PolarHBondContact O-N 2.95Å
94	I	89.1	Confident	82	Confident	2 Å²	2	62.7 Å²	62.7	1%	0.01	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-58.8	-31.8	174.7	-174.6	170.2	0	0	0	112.5	V56 A57 F58 H96 L97 L102 L146 F148 L190 V193 F194	V56-I94 HydrophobicContact CG2-CB 4.36Å; A57-I94 WeakPolarHBondContact O-CB 3.23Å; A57-I94 WeakPolarHBondContact O-CG2 3.04Å; F58-I94 HydrophobicContact CB-CD1 4.34Å; F58-I94 HydrophobicContact CD2-CD1 3.27Å; F58-I94 HydrophobicContact CE2-CD1 3.8Å; F58-I94 HydrophobicContact CG-CD1 4.14Å; I94-H96 PolarHBondContact O-N 2.93Å; I94-L97 HydrophobicContact CG1-CD1 4.36Å; I94-L97 WeakPolarHBondContact O-CG 3.31Å; I94-L102 HydrophobicContact CD1-CD1 4.44Å; I94-L146 HydrophobicContact CG2-CB 3.61Å; I94-L146 HydrophobicContact CG2-CD1 4.42Å; I94-L146 HydrophobicContact CG2-CG 4.41Å; I94-L146 WeakPolarHBondContact CG2-O 3.26Å; I94-F148 HydrophobicContact CG2-CE2 3.91Å; I94-L190 HydrophobicContact CD1-CD1 4.44Å; I94-V193 WeakPolarHBondContact O-CG1 3.3Å; I94-F194 HydrophobicContact CD1-CE2 3.68Å; I94-F194 HydrophobicContact CD1-CZ 3.52Å; I94-F194 HydrophobicContact CG1-CE2 3.85Å; I94-F194 HydrophobicContact CG1-CZ 3.52Å
95	A	88.6	Confident	81.7	Confident	21 Å²	21	70.4 Å²	70.4	17%	0.174	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-67.1	-15.8	174.5	0	0	0	0	0	113.7	S93 G147 F148	S93-A95 PolarHBondContact O-N 3.4Å; S93-A95 PolarHBondContact OG-N 3.43Å; A95-G147 WeakPolarHBondContact CB-O 3.37Å; A95-F148 HydrophobicContact CB-CD1 4.18Å; A95-F148 HydrophobicContact CB-CD2 4.07Å; A95-F148 HydrophobicContact CB-CE1 4.17Å; A95-F148 HydrophobicContact CB-CE2 4.08Å; A95-F148 HydrophobicContact CB-CG 4.12Å; A95-F148 HydrophobicContact CB-CZ 4.11Å
96	H	86.7	Confident	81.7	Confident	126 Å²	126	71.2 Å²	71.2	58%	0.583	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-129.9	29.5	-173	-59.4	99.5	0	0	0	113.6	V92 S93 I94 G98	V92-H96 HydrophobicContact CG1-CB 4.26Å; V92-H96 WeakPolarHBondContact CG1-O 3.22Å; S93-H96 CarbonylContact O-C 3.59Å; S93-H96 PolarHBondContact O-N 2.81Å; S93-H96 PolarHBondContact OG-ND1 2.97Å; I94-H96 PolarHBondContact O-N 2.93Å; H96-G98 PolarHBondContact O-N 3.41Å
97	L	83.6	Confident	82	Confident	13 Å²	13	69.1 Å²	69.1	7%	0.068	36%	0.362	C	S	.	.			trans	-54	-31.2	-174.8	-73.9	175.5	0	0	0	114.6	V56 T82 S93 I94 C100 L102 V193 F194	V56-L97 HydrophobicContact CG1-CD2 3.98Å; V56-L97 HydrophobicContact CG2-CD2 4.19Å; T82-L97 HydrophobicContact CG2-CD2 4.24Å; S93-L97 PolarHBondContact O-N 2.95Å; I94-L97 HydrophobicContact CG1-CD1 4.36Å; I94-L97 WeakPolarHBondContact O-CG 3.31Å; L97-C100 WeakPolarHBondContact CB-O 3.34Å; L97-C100 WeakPolarHBondContact CD2-O 3.4Å; L97-C100 WeakPolarHBondContact O-CA 3.41Å; L97-C100 VanDerWaalsContact O-CB 3.29Å; L97-C100 WeakPolarHBondContact O-CB 3.23Å; L97-C100 PolarHBondContact O-N 2.81Å; L97-L102 HydrophobicContact CD1-CD2 4.23Å; L97-L102 HydrophobicContact CD1-CG 3.88Å; L97-V193 HydrophobicContact CD1-CG1 4.35Å; L97-F194 HydrophobicContact CD1-CE1 3.94Å; L97-F194 HydrophobicContact CD1-CZ 4.09Å
98	G	81.9	Confident	82.6	Confident	61 Å²	61	61.5 Å²	61.5	63%	0.629	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	-126.4	-176.3	0	0	0	0	0	110.7	H96 C100	H96-G98 PolarHBondContact O-N 3.41Å; G98-C100 PolarHBondContact O-N 3.06Å
99	P	81.9	Confident	83.6	Confident	115 Å²	115	56 Å²	56	75%	0.747	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-11	177.7	31.2	-35.1	0	0	0	114.1	L101	P99-L101 PolarHBondContact O-N 2.94Å; P99-L101 VanDerWaalsContact O-N 3.08Å
100	C	84.2	Confident	85	Confident	4 Å²	4	53.7 Å²	53.7	3%	0.027	29%	0.293	C	S	.	.			trans	-83.2	77.2	-178.7	-67.8	0	0	0	0	112.3	C84 L97 G98	C84-C100 HydrophobicContact CB-CB 3.93Å; C84-C100 WeakPolarHBondContact CB-SG 3.48Å; C84-C100 WeakPolarHBondContact SG-CA 3.43Å; C84-C100 WeakPolarHBondContact SG-CB 3.41Å; C84-C100 CovalentContact SG-SG 2.04Å; C84-C100 PolarHBondContact SG-SG 3.2Å; L97-C100 WeakPolarHBondContact CB-O 3.34Å; L97-C100 WeakPolarHBondContact CD2-O 3.4Å; L97-C100 WeakPolarHBondContact O-CA 3.41Å; L97-C100 VanDerWaalsContact O-CB 3.29Å; L97-C100 WeakPolarHBondContact O-CB 3.23Å; L97-C100 PolarHBondContact O-N 2.81Å; G98-C100 PolarHBondContact O-N 3.06Å
101	L	83.9	Confident	86.1	Confident	111 Å²	111	46.6 Å²	46.6	58%	0.581	26%	0.261	S	S	*	.	P	Polyproline II helix	trans	-60.5	149.6	175.9	-58.1	175.6	0	0	0	112.9	T82 I83 P99	T82-L101 CarbonylContact C-O 3.55Å; T82-L101 VanDerWaalsContact CA-O 3.31Å; T82-L101 WeakPolarHBondContact CA-O 3.45Å; I83-L101 HydrophobicContact CD1-CB 4.04Å; I83-L101 HydrophobicContact CD1-CD1 4.48Å; I83-L101 HydrophobicContact CD1-CG 4.34Å; I83-L101 HydrophobicContact CG1-CB 4.3Å; I83-L101 PolarHBondContact N-O 2.92Å; P99-L101 PolarHBondContact O-N 2.94Å; P99-L101 VanDerWaalsContact O-N 3.08Å
102	L	88.5	Confident	87.4	Confident	19 Å²	19	42.4 Å²	42.4	10%	0.099	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-73	146.4	170.3	-70.8	-170.9	0	0	0	111.8	V56 F58 A80 T82 I94 L97 F194 W392	V56-L102 HydrophobicContact CG2-CD2 3.63Å; F58-L102 HydrophobicContact CD2-CD1 3.83Å; F58-L102 HydrophobicContact CE2-CD1 4.17Å; A80-L102 HydrophobicContact CB-CD1 3.87Å; A80-L102 HydrophobicContact CB-CD2 3.77Å; A80-L102 HydrophobicContact CB-CG 4.45Å; T82-L102 HydrophobicContact CG2-CD2 3.95Å; I94-L102 HydrophobicContact CD1-CD1 4.44Å; L97-L102 HydrophobicContact CD1-CD2 4.23Å; L97-L102 HydrophobicContact CD1-CG 3.88Å; L102-F194 HydrophobicContact CB-CE1 4.14Å; L102-F194 HydrophobicContact CD1-CD1 4.42Å; L102-F194 HydrophobicContact CD1-CE1 3.28Å; L102-F194 HydrophobicContact CD1-CZ 3.34Å; L102-F194 HydrophobicContact CG-CE1 3.61Å; L102-F194 HydrophobicContact CG-CZ 4.05Å; L102-W392 HydrophobicContact CB-CH2 3.79Å; L102-W392 HydrophobicContact CB-CZ2 3.88Å; L102-W392 HydrophobicContact CD1-CH2 3.47Å; L102-W392 VanDerWaalsContact CD1-CH2 3.47Å; L102-W392 HydrophobicContact CD1-CZ2 4.39Å; L102-W392 HydrophobicContact CD1-CZ3 3.8Å; L102-W392 HydrophobicContact CG-CH2 4.28Å
103	K	88.3	Confident	88.3	Confident	58 Å²	58	41.4 Å²	41.4	25%	0.252	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-83.1	146.5	168	-69.5	-177.2	176.8	178.5	0	110.4	Y53 P81 T82 I83 Y105 W392	Y53-K103 VanDerWaalsContact CD1-NZ 3.31Å; Y53-K103 VanDerWaalsContact CE1-NZ 3.32Å; P81-K103 HydrophobicContact CB-CB 4.4Å; P81-K103 HydrophobicContact CB-CD 4.27Å; P81-K103 HydrophobicContact CG-CB 4.1Å; P81-K103 PolarHBondContact O-N 3.42Å; T82-K103 WeakPolarHBondContact O-CE 3.21Å; I83-K103 HydrophobicContact CG2-CG 4.01Å; K103-Y105 VanDerWaalsContact C-N 3.27Å; K103-Y105 PolarHBondContact O-N 3.19Å; K103-W392 WeakPolarHBondContact O-CZ2 3.03Å
104	A	82.6	Confident	88.5	Confident	33 Å²	33	41 Å²	41	27%	0.273	24%	0.235	S	C	.	.	S	Bend	trans	-64.4	-26.6	-179.3	0	0	0	0	0	114.3	W393	A104-W393 WeakPolarHBondContact O-CZ2 3.49Å
105	Y	86.1	Confident	88.3	Confident	177 Å²	177	43.1 Å²	43.1	69%	0.694	25%	0.25	S	S	*	.	S	Bend	trans	-136	165.5	-173	-53.5	-73.9	0	0	0	111.6	P81 K103 W393	P81-Y105 WeakPolarHBondContact CG-O 3.02Å; K103-Y105 VanDerWaalsContact C-N 3.27Å; K103-Y105 PolarHBondContact O-N 3.19Å; Y105-W393 HydrophobicContact CD1-CZ2 4.46Å; Y105-W393 HydrophobicContact CE1-CZ2 4.1Å
106	G	89.8	Confident	87.7	Confident	37 Å²	37	43 Å²	43	38%	0.381	25%	0.245	S	C	.	.			trans	95.3	19	176.6	0	0	0	0	0	114.3	Y55	Y55-G106 WeakPolarHBondContact CE1-O 3.2Å; Y55-G106 PolarHBondContact OH-O 2.76Å
107	F	93.2	Very high	87.3	Confident	4 Å²	4	45.5 Å²	45.5	2%	0.018	25%	0.25	C	C	.	.			trans	-56.5	140.6	171.2	-72.4	-99.5	0	0	0	111.4	F58 L78 L79 A80 A135 P137 W392 I394	F58-F107 HydrophobicContact CB-CE1 4.21Å; F58-F107 AromaticContact CD1-CE1 3.89Å; F58-F107 HydrophobicContact CD1-CE1 3.89Å; F58-F107 HydrophobicContact CD2-CE1 4.23Å; F58-F107 HydrophobicContact CE1-CE1 4.32Å; F58-F107 AromaticContact CG-CE1 3.84Å; F58-F107 HydrophobicContact CG-CE1 3.84Å; L78-F107 HydrophobicContact CD1-CB 4.05Å; L78-F107 HydrophobicContact CD1-CD1 4.16Å; L78-F107 HydrophobicContact CD2-CD1 4.39Å; L78-F107 HydrophobicContact CG-CD1 4.13Å; L79-F107 VanDerWaalsContact O-CA 3.32Å; L79-F107 WeakPolarHBondContact O-CA 3.49Å; A80-F107 HydrophobicContact CB-CD1 3.75Å; A80-F107 HydrophobicContact CB-CE1 3.43Å; A80-F107 VanDerWaalsContact CB-CE1 3.43Å; A80-F107 HydrophobicContact CB-CZ 4.1Å; F107-A135 WeakPolarHBondContact CB-O 3.29Å; F107-A135 PolarHBondContact O-N 2.95Å; F107-A135 VanDerWaalsContact O-N 3.08Å; F107-P137 HydrophobicContact CD1-CB 4.06Å; F107-P137 HydrophobicContact CD2-CB 4.11Å; F107-P137 HydrophobicContact CD2-CG 4.11Å; F107-P137 HydrophobicContact CE1-CB 3.71Å; F107-P137 HydrophobicContact CE2-CB 3.8Å; F107-P137 HydrophobicContact CE2-CG 3.85Å; F107-P137 HydrophobicContact CG-CB 4.21Å; F107-P137 HydrophobicContact CZ-CB 3.54Å; F107-P137 HydrophobicContact CZ-CG 4.09Å; F107-W392 HydrophobicContact CE1-CH2 4.32Å; F107-W392 HydrophobicContact CE2-CH2 4.07Å; F107-W392 HydrophobicContact CE2-CZ2 4.37Å; F107-W392 AromaticContact CZ-CH2 3.36Å; F107-W392 HydrophobicContact CZ-CH2 3.36Å; F107-W392 HydrophobicContact CZ-CZ2 4.09Å; F107-W392 HydrophobicContact CZ-CZ3 4.05Å; F107-I394 HydrophobicContact CE2-CD1 3.67Å; F107-I394 HydrophobicContact CZ-CD1 3.51Å
108	Q	94.9	Very high	86.8	Confident	29 Å²	29	50.4 Å²	50.4	14%	0.136	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	124.5	180	-64.9	-66.7	-59.2	0	0	109.4	Y55 L79 R133 S134	Y55-Q108 HydrophobicContact CE1-CB 4.42Å; Y55-Q108 HydrophobicContact CE1-CG 3.98Å; L79-Q108 PolarHBondContact N-O 3.4Å; L79-Q108 PolarHBondContact O-N 3.32Å; Q108-R133 CarbonylContact C-O 3.49Å; Q108-R133 WeakPolarHBondContact CA-O 3.47Å; Q108-S134 PolarHBondContact NE2-OG 2.98Å
109	Q	95.9	Very high	86.3	Confident	14 Å²	14	50.2 Å²	50.2	7%	0.065	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	118.8	164.8	-167.1	70.9	18.2	0	0	108.3	S76 I77 L78 C132 R133 A135	S76-Q109 VanDerWaalsContact C-NE2 3.27Å; S76-Q109 PolarHBondContact OG-NE2 3.17Å; I77-Q109 CarbonylContact O-C 3.32Å; I77-Q109 WeakPolarHBondContact O-CA 3.48Å; L78-Q109 VanDerWaalsContact CB-OE1 3.26Å; Q109-C132 CarbonylContact O-C 3.6Å; Q109-C132 VanDerWaalsContact O-CA 3.25Å; Q109-C132 WeakPolarHBondContact O-CA 3.25Å; Q109-R133 HydrophobicContact CB-CG 4.08Å; Q109-R133 PolarHBondContact N-O 3.39Å; Q109-R133 PolarHBondContact O-N 2.97Å; Q109-A135 HydrophobicContact CB-CB 3.84Å
110	C	95.6	Very high	85.7	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	127.3	175.9	-68	0	0	0	0	110.5	Y45 I77 L79 F112 L129 S131 C132	Y45-C110 WeakPolarHBondContact CE2-SG 3.42Å; I77-C110 PolarHBondContact N-O 3.33Å; I77-C110 PolarHBondContact O-N 3.14Å; L79-C110 HydrophobicContact CD1-CB 4.16Å; C110-F112 HydrophobicContact CB-CD2 4.38Å; C110-F112 HydrophobicContact CB-CE2 3.73Å; C110-F112 HydrophobicContact CB-CZ 4.4Å; C110-L129 HydrophobicContact CB-CD1 3.91Å; C110-S131 CarbonylContact C-O 3.52Å; C110-S131 VanDerWaalsContact CA-O 3.27Å; C110-S131 WeakPolarHBondContact CA-O 3.37Å; C110-C132 HydrophobicContact CB-CB 4.22Å; C110-C132 WeakPolarHBondContact CB-SG 3.45Å; C110-C132 WeakPolarHBondContact SG-CB 3.01Å; C110-C132 CovalentContact SG-SG 2.05Å; C110-C132 PolarHBondContact SG-SG 2.59Å
111	D	94.9	Very high	85.1	Confident	25 Å²	25	52.4 Å²	52.4	13%	0.134	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	125.1	178	-62.1	-42.3	0	0	0	109	F75 S76 E130 S131 R133	F75-D111 CarbonylContact O-C 3.51Å; F75-D111 VanDerWaalsContact O-CA 3.27Å; F75-D111 WeakPolarHBondContact O-CA 3.46Å; S76-D111 VanDerWaalsContact CB-OD1 3.31Å; S76-D111 WeakPolarHBondContact CB-OD1 3.49Å; S76-D111 PolarHBondContact OG-OD1 3.06Å; D111-E130 WeakPolarHBondContact O-CB 3.42Å; D111-E130 PolarHBondContact O-N 3.18Å; D111-S131 PolarHBondContact N-O 3.33Å; D111-S131 PolarHBondContact O-N 3.43Å; D111-R133 IonicContact OD2-CZ 3.46Å; D111-R133 IonicContact OD2-NH1 3.02Å; D111-R133 PolarHBondContact OD2-NH1 3.5Å; D111-R133 IonicContact OD2-NH2 3.3Å; D111-R133 PolarHBondContact OD2-NH2 2.82Å
112	F	92.2	Very high	84.3	Confident	3 Å²	3	48.6 Å²	48.6	1%	0.013	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	147.4	177.3	-63.8	-100.7	0	0	0	110.2	L41 F44 Y74 F75 I77 C110 L127 Y128 L129	L41-F112 HydrophobicContact CB-CD2 4.47Å; L41-F112 HydrophobicContact CB-CE1 4.49Å; L41-F112 HydrophobicContact CB-CE2 4.23Å; L41-F112 HydrophobicContact CB-CZ 4.22Å; L41-F112 HydrophobicContact CD2-CB 3.82Å; L41-F112 HydrophobicContact CD2-CD1 3.5Å; L41-F112 HydrophobicContact CD2-CD2 4.09Å; L41-F112 HydrophobicContact CD2-CE1 3.95Å; L41-F112 HydrophobicContact CD2-CE2 4.49Å; L41-F112 HydrophobicContact CD2-CG 3.57Å; L41-F112 HydrophobicContact CD2-CZ 4.42Å; F44-F112 AromaticContact CD1-CE1 3.84Å; F44-F112 HydrophobicContact CD1-CE1 3.84Å; F44-F112 HydrophobicContact CE1-CE1 4.36Å; Y74-F112 WeakPolarHBondContact CA-O 3.28Å; F75-F112 HydrophobicContact CB-CB 4.28Å; F75-F112 HydrophobicContact CD2-CB 4.24Å; F75-F112 PolarHBondContact N-O 3.43Å; F75-F112 PolarHBondContact O-N 3.14Å; I77-F112 HydrophobicContact CD1-CD2 3.95Å; I77-F112 HydrophobicContact CD1-CE2 3.95Å; C110-F112 HydrophobicContact CB-CD2 4.38Å; C110-F112 HydrophobicContact CB-CE2 3.73Å; C110-F112 HydrophobicContact CB-CZ 4.4Å; F112-L127 HydrophobicContact CB-CD1 4.21Å; F112-Y128 WeakPolarHBondContact CA-O 3.45Å; F112-L129 HydrophobicContact CD1-CB 3.96Å; F112-L129 HydrophobicContact CD1-CD1 3.9Å; F112-L129 HydrophobicContact CD2-CD1 4.15Å; F112-L129 HydrophobicContact CE1-CB 3.85Å; F112-L129 HydrophobicContact CE1-CD1 3.62Å; F112-L129 HydrophobicContact CE1-CG 4.28Å; F112-L129 HydrophobicContact CE2-CD1 3.88Å; F112-L129 HydrophobicContact CG-CD1 4.17Å; F112-L129 HydrophobicContact CZ-CD1 3.62Å
113	V	89.8	Confident	83.5	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	126.8	-179.8	174.6	0	0	0	0	109.4	K72 Y73 Y74 L127 Y128 E130	K72-V113 HydrophobicContact CD-CG1 4.16Å; K72-V113 HydrophobicContact CG-CG1 3.89Å; Y73-V113 WeakPolarHBondContact O-CA 3.48Å; Y74-V113 HydrophobicContact CD1-CG2 3.74Å; Y74-V113 HydrophobicContact CE1-CG2 3.99Å; V113-L127 WeakPolarHBondContact O-CA 3.48Å; V113-Y128 HydrophobicContact CB-CD1 4.37Å; V113-Y128 HydrophobicContact CB-CD2 4.46Å; V113-Y128 HydrophobicContact CB-CE1 3.81Å; V113-Y128 HydrophobicContact CB-CE2 3.89Å; V113-Y128 HydrophobicContact CG1-CE1 3.71Å; V113-Y128 HydrophobicContact CG1-CE2 4.46Å; V113-Y128 WeakPolarHBondContact CG1-OH 3.41Å; V113-Y128 HydrophobicContact CG2-CE2 4.26Å; V113-Y128 PolarHBondContact N-O 2.86Å; V113-Y128 PolarHBondContact O-N 3.41Å; V113-E130 HydrophobicContact CG2-CB 4.06Å; V113-E130 HydrophobicContact CG2-CG 4.49Å; V113-E130 WeakPolarHBondContact CG2-OE2 3.18Å
114	L	86.5	Confident	82.4	Confident	8 Å²	8	52.9 Å²	52.9	4%	0.042	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	117.6	167.3	173.1	59	0	0	0	109	L37 K72 Y73 F75 Y122 M126 L127	L37-L114 HydrophobicContact CD1-CD2 3.71Å; K72-L114 CarbonylContact C-O 3.6Å; K72-L114 WeakPolarHBondContact CA-O 3.31Å; Y73-L114 HydrophobicContact CD2-CD2 4.35Å; Y73-L114 PolarHBondContact N-O 3.03Å; Y73-L114 PolarHBondContact O-N 3.3Å; F75-L114 HydrophobicContact CE2-CB 3.76Å; F75-L114 HydrophobicContact CZ-CB 4.46Å; L114-Y122 HydrophobicContact CD1-CD2 3.85Å; L114-Y122 HydrophobicContact CD1-CE2 3.47Å; L114-Y122 VanDerWaalsContact CD1-CE2 3.47Å; L114-Y122 HydrophobicContact CD2-CD2 4.02Å; L114-Y122 HydrophobicContact CD2-CE2 3.72Å; L114-Y122 HydrophobicContact CG-CE2 4.24Å; L114-M126 HydrophobicContact CD1-CB 3.64Å; L114-L127 HydrophobicContact CB-CD1 4.15Å; L114-L127 HydrophobicContact CD1-CB 4.29Å
115	S	84.3	Confident	81.9	Confident	48 Å²	48	53.7 Å²	53.7	34%	0.336	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	113.5	178.4	-62.3	0	0	0	0	110.9	M126	S115-M126 PolarHBondContact N-O 2.92Å; S115-M126 VanDerWaalsContact N-O 3.15Å; S115-M126 WeakPolarHBondContact O-CB 3.41Å
116	F	77.6	Confident	81.6	Confident	17 Å²	17	47.2 Å²	47.2	8%	0.075	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	136.6	-173	-179.6	-95.5	0	0	0	111	Y21 G70 Y71 L120 M126	Y21-F116 HydrophobicContact CD2-CZ 4.24Å; Y21-F116 HydrophobicContact CG-CZ 4.31Å; G70-F116 CarbonylContact C-O 3.49Å; G70-F116 WeakPolarHBondContact CA-O 3.37Å; Y71-F116 HydrophobicContact CD2-CD1 4.07Å; Y71-F116 PolarHBondContact N-O 3.11Å; Y71-F116 PolarHBondContact O-N 3.5Å; F116-L120 WeakPolarHBondContact CE2-O 3.29Å; F116-L120 WeakPolarHBondContact CZ-O 3.48Å; F116-M126 HydrophobicContact CD2-SD 3.89Å
117	R	78.2	Confident	81.4	Confident	179 Å²	179	46.2 Å²	46.2	68%	0.675	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-95.7	141.8	175.1	-63.5	-176.5	-178.7	-179.8	2.5	110.2	K69 G119 L120	K69-R117 WeakPolarHBondContact O-CA 3.39Å; R117-G119 PolarHBondContact O-N 3.36Å; R117-L120 HydrophobicContact CB-CD1 3.89Å; R117-L120 HydrophobicContact CB-CG 4.23Å; R117-L120 HydrophobicContact CG-CD1 4.38Å; R117-L120 PolarHBondContact O-N 3.49Å
118	K	71.6	Confident	81	Confident	117 Å²	117	50.2 Å²	50.2	51%	0.509	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	130.3	175.7	-74.4	-176.6	178.5	-168.4	0	110.2	K69 Y71	K69-K118 PolarHBondContact O-N 3.17Å; Y71-K118 HydrophobicContact CD2-CG 4.34Å; Y71-K118 HydrophobicContact CE2-CD 4.38Å; Y71-K118 HydrophobicContact CE2-CG 3.71Å; Y71-K118 WeakPolarHBondContact OH-CE 3.21Å
119	G	73.1	Confident	80.7	Confident	57 Å²	57	49.8 Å²	49.8	59%	0.588	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.6	3.2	178.9	0	0	0	0	0	116.1	R117	R117-G119 PolarHBondContact O-N 3.36Å
120	L	69.4	Low	80.5	Confident	83 Å²	83	53.9 Å²	53.9	44%	0.435	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-97.6	161.5	171	-66.1	-175.7	0	0	0	111.3	F116 R117 M126	F116-L120 WeakPolarHBondContact CE2-O 3.29Å; F116-L120 WeakPolarHBondContact CZ-O 3.48Å; R117-L120 HydrophobicContact CB-CD1 3.89Å; R117-L120 HydrophobicContact CB-CG 4.23Å; R117-L120 HydrophobicContact CG-CD1 4.38Å; R117-L120 PolarHBondContact O-N 3.49Å; L120-M126 HydrophobicContact CB-CE 4.48Å; L120-M126 HydrophobicContact CD1-CE 4.39Å
121	V	69.9	Low	80.4	Confident	82 Å²	82	56.1 Å²	56.1	50%	0.497	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-86.5	145.2	171.3	-178.3	0	0	0	0	108.9
122	Y	67.3	Low	80.4	Confident	31 Å²	31	56.6 Å²	56.6	12%	0.122	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-64	138.2	175.9	168.4	-89.6	0	0	0	109.7	L19 L37 L114 D124	L19-Y122 HydrophobicContact CB-CD1 4.23Å; L19-Y122 HydrophobicContact CD1-CD1 3.3Å; L19-Y122 HydrophobicContact CD1-CE1 3.64Å; L19-Y122 HydrophobicContact CD1-CG 3.8Å; L19-Y122 HydrophobicContact CG-CD1 4.32Å; L37-Y122 HydrophobicContact CD2-CE2 4.48Å; L37-Y122 WeakPolarHBondContact CD2-OH 3.48Å; L114-Y122 HydrophobicContact CD1-CD2 3.85Å; L114-Y122 HydrophobicContact CD1-CE2 3.47Å; L114-Y122 VanDerWaalsContact CD1-CE2 3.47Å; L114-Y122 HydrophobicContact CD2-CD2 4.02Å; L114-Y122 HydrophobicContact CD2-CE2 3.72Å; L114-Y122 HydrophobicContact CG-CE2 4.24Å; Y122-D124 VanDerWaalsContact CE1-OD1 3.28Å; Y122-D124 WeakPolarHBondContact CE1-OD1 3.32Å; Y122-D124 PolarHBondContact OH-OD1 2.65Å; Y122-D124 VanDerWaalsContact OH-OD1 3.04Å
123	D	71.7	Confident	80.5	Confident	85 Å²	85	62.3 Å²	62.3	46%	0.455	32%	0.321	S	S	.	.			trans	-137.8	143.5	172	178.1	30.8	0	0	0	108.1	S125 M126	D123-S125 PolarHBondContact O-N 3.08Å; D123-S125 WeakPolarHBondContact OD2-CB 3.3Å; D123-S125 PolarHBondContact OD2-OG 3.38Å; D123-M126 WeakPolarHBondContact O-CB 3.49Å; D123-M126 PolarHBondContact O-N 3.18Å
124	D	66.4	Low	80.7	Confident	81 Å²	81	67 Å²	67	43%	0.433	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-57.5	-22.4	179.5	-77.6	-8.6	0	0	0	111	L10 Y122 M126 L127	L10-D124 WeakPolarHBondContact CD2-O 3.45Å; Y122-D124 VanDerWaalsContact CE1-OD1 3.28Å; Y122-D124 WeakPolarHBondContact CE1-OD1 3.32Å; Y122-D124 PolarHBondContact OH-OD1 2.65Å; Y122-D124 VanDerWaalsContact OH-OD1 3.04Å; D124-M126 PolarHBondContact O-N 2.79Å; D124-M126 VanDerWaalsContact O-N 3.12Å; D124-L127 PolarHBondContact O-N 3.46Å
125	S	72.5	Confident	81	Confident	50 Å²	50	68.1 Å²	68.1	35%	0.35	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-56.5	-20.2	170.4	78.7	0	0	0	0	116.5	L10 D123	L10-S125 WeakPolarHBondContact CD1-O 3.18Å; D123-S125 PolarHBondContact O-N 3.08Å; D123-S125 WeakPolarHBondContact OD2-CB 3.3Å; D123-S125 PolarHBondContact OD2-OG 3.38Å
126	M	79.4	Confident	81.1	Confident	41 Å²	41	73 Å²	73	20%	0.202	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-89.1	-10.7	-180	-60.1	-169.7	-176.3	0	0	113.3	L114 S115 F116 L120 D123 D124	L114-M126 HydrophobicContact CD1-CB 3.64Å; S115-M126 PolarHBondContact N-O 2.92Å; S115-M126 VanDerWaalsContact N-O 3.15Å; S115-M126 WeakPolarHBondContact O-CB 3.41Å; F116-M126 HydrophobicContact CD2-SD 3.89Å; L120-M126 HydrophobicContact CB-CE 4.48Å; L120-M126 HydrophobicContact CD1-CE 4.39Å; D123-M126 WeakPolarHBondContact O-CB 3.49Å; D123-M126 PolarHBondContact O-N 3.18Å; D124-M126 PolarHBondContact O-N 2.79Å; D124-M126 VanDerWaalsContact O-N 3.12Å
127	L	84.3	Confident	81.6	Confident	16 Å²	16	73.3 Å²	73.3	8%	0.084	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	124.8	-178.9	177	65.4	0	0	0	110.2	L41 F112 V113 L114 D124	L41-L127 HydrophobicContact CD2-CD1 3.64Å; L41-L127 HydrophobicContact CD2-CD2 3.53Å; L41-L127 HydrophobicContact CD2-CG 4Å; F112-L127 HydrophobicContact CB-CD1 4.21Å; V113-L127 WeakPolarHBondContact O-CA 3.48Å; L114-L127 HydrophobicContact CB-CD1 4.15Å; L114-L127 HydrophobicContact CD1-CB 4.29Å; D124-L127 PolarHBondContact O-N 3.46Å
128	Y	85.8	Confident	82.1	Confident	89 Å²	89	70.2 Å²	70.2	35%	0.349	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	150.7	174.6	63.9	-87.2	0	0	0	112.2	F112 V113 E130	F112-Y128 WeakPolarHBondContact CA-O 3.45Å; V113-Y128 HydrophobicContact CB-CD1 4.37Å; V113-Y128 HydrophobicContact CB-CD2 4.46Å; V113-Y128 HydrophobicContact CB-CE1 3.81Å; V113-Y128 HydrophobicContact CB-CE2 3.89Å; V113-Y128 HydrophobicContact CG1-CE1 3.71Å; V113-Y128 HydrophobicContact CG1-CE2 4.46Å; V113-Y128 WeakPolarHBondContact CG1-OH 3.41Å; V113-Y128 HydrophobicContact CG2-CE2 4.26Å; V113-Y128 PolarHBondContact N-O 2.86Å; V113-Y128 PolarHBondContact O-N 3.41Å; Y128-E130 HydrophobicContact CE2-CB 4.24Å; Y128-E130 PolarHBondContact O-N 3.01Å
129	L	89.2	Confident	82.7	Confident	19 Å²	19	67.8 Å²	67.8	10%	0.099	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	116.7	169.7	177	67.2	0	0	0	109	I2 F44 C110 F112 C132	I2-L129 HydrophobicContact CD1-CD2 4.01Å; F44-L129 HydrophobicContact CE1-CB 3.88Å; F44-L129 HydrophobicContact CE1-CD2 4.36Å; C110-L129 HydrophobicContact CB-CD1 3.91Å; F112-L129 HydrophobicContact CD1-CB 3.96Å; F112-L129 HydrophobicContact CD1-CD1 3.9Å; F112-L129 HydrophobicContact CD2-CD1 4.15Å; F112-L129 HydrophobicContact CE1-CB 3.85Å; F112-L129 HydrophobicContact CE1-CD1 3.62Å; F112-L129 HydrophobicContact CE1-CG 4.28Å; F112-L129 HydrophobicContact CE2-CD1 3.88Å; F112-L129 HydrophobicContact CG-CD1 4.17Å; F112-L129 HydrophobicContact CZ-CD1 3.62Å; L129-C132 VanDerWaalsContact CD1-SG 3.59Å
130	E	91.3	Very high	83.6	Confident	101 Å²	101	65.5 Å²	65.5	47%	0.472	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	-49	180	-177.3	170.8	-136.7	0	0	111	D111 V113 Y128	D111-E130 WeakPolarHBondContact O-CB 3.42Å; D111-E130 PolarHBondContact O-N 3.18Å; V113-E130 HydrophobicContact CG2-CB 4.06Å; V113-E130 HydrophobicContact CG2-CG 4.49Å; V113-E130 WeakPolarHBondContact CG2-OE2 3.18Å; Y128-E130 HydrophobicContact CE2-CB 4.24Å; Y128-E130 PolarHBondContact O-N 3.01Å
131	S	93.1	Very high	84.3	Confident	47 Å²	47	66.3 Å²	66.3	33%	0.329	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	159.8	177.1	76.2	0	0	0	0	112.6	C110 D111	C110-S131 CarbonylContact C-O 3.52Å; C110-S131 VanDerWaalsContact CA-O 3.27Å; C110-S131 WeakPolarHBondContact CA-O 3.37Å; D111-S131 PolarHBondContact N-O 3.33Å; D111-S131 PolarHBondContact O-N 3.43Å
132	C	94.2	Very high	85	Confident	35 Å²	35	64.5 Å²	64.5	24%	0.236	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	139.7	165	-68.6	0	0	0	0	109.8	Q109 C110 L129	Q109-C132 CarbonylContact O-C 3.6Å; Q109-C132 VanDerWaalsContact O-CA 3.25Å; Q109-C132 WeakPolarHBondContact O-CA 3.25Å; C110-C132 HydrophobicContact CB-CB 4.22Å; C110-C132 WeakPolarHBondContact CB-SG 3.45Å; C110-C132 WeakPolarHBondContact SG-CB 3.01Å; C110-C132 CovalentContact SG-SG 2.05Å; C110-C132 PolarHBondContact SG-SG 2.59Å; L129-C132 VanDerWaalsContact CD1-SG 3.59Å
133	R	94.6	Very high	86.1	Confident	122 Å²	122	63.6 Å²	63.6	46%	0.46	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	150.7	178.5	60.2	-176.3	172.4	-79.1	-2.3	111.2	Q108 Q109 D111 A135	Q108-R133 CarbonylContact C-O 3.49Å; Q108-R133 WeakPolarHBondContact CA-O 3.47Å; Q109-R133 HydrophobicContact CB-CG 4.08Å; Q109-R133 PolarHBondContact N-O 3.39Å; Q109-R133 PolarHBondContact O-N 2.97Å; D111-R133 IonicContact OD2-CZ 3.46Å; D111-R133 IonicContact OD2-NH1 3.02Å; D111-R133 PolarHBondContact OD2-NH1 3.5Å; D111-R133 IonicContact OD2-NH2 3.3Å; D111-R133 PolarHBondContact OD2-NH2 2.82Å; R133-A135 PolarHBondContact O-N 2.03Å
134	S	94.2	Very high	87	Confident	100 Å²	100	64.8 Å²	64.8	70%	0.699	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.1	139.1	169.4	-59.4	0	0	0	0	110.7	Q108	Q108-S134 PolarHBondContact NE2-OG 2.98Å
135	A	92.7	Very high	88	Confident	31 Å²	31	64 Å²	64	26%	0.256	33%	0.33	S	S	.	.			trans	-137.7	155.5	-176	0	0	0	0	0	111.7	L78 F107 Q109 R133	L78-A135 HydrophobicContact CD1-CB 3.69Å; F107-A135 WeakPolarHBondContact CB-O 3.29Å; F107-A135 PolarHBondContact O-N 2.95Å; F107-A135 VanDerWaalsContact O-N 3.08Å; Q109-A135 HydrophobicContact CB-CB 3.84Å; R133-A135 PolarHBondContact O-N 2.03Å
136	I	87.4	Confident	88.8	Confident	150 Å²	150	61.8 Å²	61.8	77%	0.769	32%	0.315	S	S	*	.			trans	-85.6	133.6	169.9	-61.3	174.8	0	0	0	107.2
137	P	88	Confident	89.3	Confident	23 Å²	23	61 Å²	61	15%	0.149	32%	0.317	C	S	.	.			trans	-61	144.9	175.1	26.1	-35.3	0	0	0	111.8	F58 F107 W393 I394	F58-P137 HydrophobicContact CE1-CB 4.42Å; F107-P137 HydrophobicContact CD1-CB 4.06Å; F107-P137 HydrophobicContact CD2-CB 4.11Å; F107-P137 HydrophobicContact CD2-CG 4.11Å; F107-P137 HydrophobicContact CE1-CB 3.71Å; F107-P137 HydrophobicContact CE2-CB 3.8Å; F107-P137 HydrophobicContact CE2-CG 3.85Å; F107-P137 HydrophobicContact CG-CB 4.21Å; F107-P137 HydrophobicContact CZ-CB 3.54Å; F107-P137 HydrophobicContact CZ-CG 4.09Å; P137-W393 HydrophobicContact CG-CH2 4.21Å; P137-I394 HydrophobicContact CB-CD1 3.59Å; P137-I394 HydrophobicContact CB-CG1 4Å; P137-I394 HydrophobicContact CB-CG2 3.86Å; P137-I394 HydrophobicContact CG-CB 4.49Å; P137-I394 HydrophobicContact CG-CD1 3.39Å; P137-I394 HydrophobicContact CG-CG1 3.53Å; P137-I394 HydrophobicContact CG-CG2 4.17Å
138	R	87.5	Confident	89.6	Confident	115 Å²	115	60.5 Å²	60.5	43%	0.434	31%	0.314	S	S	.	.			trans	-138.3	158.9	178.7	66	-178.3	-173.9	172	0.8	110.4	F58 D59 L78	F58-R138 WeakPolarHBondContact CE1-O 3.43Å; D59-R138 IonicContact OD2-CZ 3.43Å; D59-R138 IonicContact OD2-NE 3.15Å; D59-R138 PolarHBondContact OD2-NE 3.21Å; D59-R138 IonicContact OD2-NH2 3.39Å; D59-R138 PolarHBondContact OD2-NH2 3.17Å; L78-R138 HydrophobicContact CD2-CG 4.11Å
139	M	85.9	Confident	90	Very high	66 Å²	66	64.2 Å²	64.2	33%	0.325	33%	0.332	S	S	.	.			trans	-54	129.9	175.9	-172.5	66	101.1	0	0	110.4	L190 Y191 F395	M139-L190 HydrophobicContact SD-CD2 3.96Å; M139-Y191 HydrophobicContact CE-CE1 3.77Å; M139-Y191 WeakPolarHBondContact CE-OH 3.17Å; M139-Y191 HydrophobicContact SD-CE1 4.43Å; M139-F395 HydrophobicContact CE-CD1 4.46Å; M139-F395 HydrophobicContact SD-CD1 4.11Å; M139-F395 HydrophobicContact SD-CE1 3.97Å
140	P	90.3	Very high	90.3	Very high	9 Å²	9	65.5 Å²	65.5	6%	0.058	34%	0.339	C	S	.	.			trans	-65.1	139.1	175.8	-19	32.1	0	0	0	111.6	F58 D59 L143 L146 L190	F58-P140 HydrophobicContact CD1-CG 4.36Å; F58-P140 HydrophobicContact CE1-CG 4.09Å; F58-P140 HydrophobicContact CZ-CG 4.19Å; F58-P140 WeakPolarHBondContact O-CB 3.41Å; F58-P140 WeakPolarHBondContact O-CG 2.96Å; D59-P140 HydrophobicContact CB-CB 4.22Å; D59-P140 WeakPolarHBondContact OD1-CA 2.95Å; P140-L143 HydrophobicContact CB-CD2 3.89Å; P140-L143 HydrophobicContact CB-CG 4.49Å; P140-L143 HydrophobicContact CG-CD2 4.25Å; P140-L146 HydrophobicContact CB-CD1 3.58Å; P140-L146 HydrophobicContact CG-CD1 4.2Å; P140-L190 HydrophobicContact CG-CD1 4.36Å; P140-L190 HydrophobicContact CG-CD2 3.92Å
141	V	83.9	Confident	90.5	Very high	99 Å²	99	62.2 Å²	62.2	60%	0.6	33%	0.326	S	S	*	.	S	Bend	trans	-93.2	-39.4	-177.2	-175.6	0	0	0	0	111.4	D59	D59-V141 PolarHBondContact OD1-N 3.12Å
142	N	85	Confident	90.6	Very high	44 Å²	44	64.2 Å²	64.2	24%	0.235	35%	0.354	C	S	.	.			trans	-116	75	-174.5	-59.9	-59.9	0	0	0	111.3	A60 E144 Y145 L146	A60-N142 PolarHBondContact O-ND2 3.38Å; N142-E144 PolarHBondContact O-N 2.63Å; N142-Y145 HydrophobicContact CB-CD2 3.31Å; N142-Y145 HydrophobicContact CB-CE2 3.81Å; N142-Y145 HydrophobicContact CB-CG 3.92Å; N142-Y145 PolarHBondContact O-N 3Å; N142-L146 PolarHBondContact O-N 3.44Å
143	L	91.5	Very high	90.7	Very high	12 Å²	12	65.8 Å²	65.8	6%	0.063	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-30.5	-175.8	-72.5	168.2	0	0	0	113.4	P140 Y145 L146 G147 F148 L186 K187 L190	P140-L143 HydrophobicContact CB-CD2 3.89Å; P140-L143 HydrophobicContact CB-CG 4.49Å; P140-L143 HydrophobicContact CG-CD2 4.25Å; L143-Y145 PolarHBondContact O-N 3.03Å; L143-L146 HydrophobicContact CD2-CD1 4.24Å; L143-L146 WeakPolarHBondContact O-CA 3.42Å; L143-L146 WeakPolarHBondContact O-CB 3.34Å; L143-L146 PolarHBondContact O-N 3.32Å; L143-L146 VanDerWaalsContact O-N 3.07Å; L143-G147 PolarHBondContact O-N 3.39Å; L143-F148 HydrophobicContact CB-CB 4.2Å; L143-F148 HydrophobicContact CB-CD2 4.15Å; L143-F148 HydrophobicContact CB-CG 4.38Å; L143-F148 HydrophobicContact CD2-CD2 3.85Å; L143-F148 HydrophobicContact CD2-CE2 3.94Å; L143-F148 WeakPolarHBondContact O-CB 3.27Å; L143-F148 WeakPolarHBondContact O-CD2 3.42Å; L143-F148 PolarHBondContact O-N 3.31Å; L143-F148 VanDerWaalsContact O-N 3.16Å; L143-L186 HydrophobicContact CB-CB 3.98Å; L143-L186 HydrophobicContact CB-CD1 4.26Å; L143-L186 VanDerWaalsContact CD1-C 3.5Å; L143-L186 HydrophobicContact CD1-CB 3.66Å; L143-L186 HydrophobicContact CG-CB 4.47Å; L143-K187 HydrophobicContact CD1-CG 4.09Å; L143-L190 HydrophobicContact CD1-CB 4.45Å; L143-L190 HydrophobicContact CD2-CB 4.03Å; L143-L190 HydrophobicContact CD2-CD1 3.82Å; L143-L190 HydrophobicContact CD2-CD2 3.94Å; L143-L190 HydrophobicContact CD2-CG 4.13Å
144	E	89.7	Confident	90.8	Very high	110 Å²	110	60.6 Å²	60.6	51%	0.514	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-42.9	177	-64	-178.9	110.8	0	0	112	N142 L146 G147 F148 L186	N142-E144 PolarHBondContact O-N 2.63Å; E144-L146 PolarHBondContact O-N 3.02Å; E144-L146 VanDerWaalsContact O-N 3.14Å; E144-G147 PolarHBondContact O-N 3Å; E144-F148 WeakPolarHBondContact CA-O 3.29Å; E144-L186 HydrophobicContact CG-CD1 3.58Å
145	Y	87.3	Confident	91	Very high	64 Å²	64	60.5 Å²	60.5	25%	0.251	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-23.3	175.3	-58.3	-19.3	0	0	0	112.4	L34 E35 L38 N142 L143 G147	L34-Y145 HydrophobicContact CD2-CD2 3.5Å; L34-Y145 HydrophobicContact CD2-CE2 3.88Å; L34-Y145 HydrophobicContact CD2-CG 4.46Å; L34-Y145 HydrophobicContact CG-CD2 3.98Å; L34-Y145 HydrophobicContact CG-CE2 4.45Å; E35-Y145 HydrophobicContact CB-CD1 3.64Å; E35-Y145 HydrophobicContact CB-CE1 3.89Å; E35-Y145 HydrophobicContact CB-CG 4.41Å; E35-Y145 HydrophobicContact CG-CD1 3.91Å; E35-Y145 HydrophobicContact CG-CE1 4.41Å; L38-Y145 WeakPolarHBondContact CD2-O 3.11Å; N142-Y145 HydrophobicContact CB-CD2 3.31Å; N142-Y145 HydrophobicContact CB-CE2 3.81Å; N142-Y145 HydrophobicContact CB-CG 3.92Å; N142-Y145 PolarHBondContact O-N 3Å; L143-Y145 PolarHBondContact O-N 3.03Å; Y145-G147 PolarHBondContact O-N 3.17Å
146	L	89.4	Confident	91.2	Very high	4 Å²	4	65 Å²	65	2%	0.021	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	1.8	176.4	-60.3	178.8	0	0	0	113.4	L38 A57 F58 I94 P140 N142 L143 E144 F148	L38-L146 HydrophobicContact CD2-CD2 4.05Å; A57-L146 HydrophobicContact CB-CD2 3.75Å; F58-L146 WeakPolarHBondContact O-CD1 3.22Å; I94-L146 HydrophobicContact CG2-CB 3.61Å; I94-L146 HydrophobicContact CG2-CD1 4.42Å; I94-L146 HydrophobicContact CG2-CG 4.41Å; I94-L146 WeakPolarHBondContact CG2-O 3.26Å; P140-L146 HydrophobicContact CB-CD1 3.58Å; P140-L146 HydrophobicContact CG-CD1 4.2Å; N142-L146 PolarHBondContact O-N 3.44Å; L143-L146 HydrophobicContact CD2-CD1 4.24Å; L143-L146 WeakPolarHBondContact O-CA 3.42Å; L143-L146 WeakPolarHBondContact O-CB 3.34Å; L143-L146 PolarHBondContact O-N 3.32Å; L143-L146 VanDerWaalsContact O-N 3.07Å; E144-L146 PolarHBondContact O-N 3.02Å; E144-L146 VanDerWaalsContact O-N 3.14Å; L146-F148 HydrophobicContact CB-CD2 4.13Å; L146-F148 HydrophobicContact CB-CE2 4.39Å
147	G	89.3	Confident	91.8	Very high	24 Å²	24	61.7 Å²	61.7	25%	0.247	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	92	8.8	176.8	0	0	0	0	0	114.5	A95 L143 E144 Y145	A95-G147 WeakPolarHBondContact CB-O 3.37Å; L143-G147 PolarHBondContact O-N 3.39Å; E144-G147 PolarHBondContact O-N 3Å; Y145-G147 PolarHBondContact O-N 3.17Å
148	F	92.4	Very high	92.3	Very high	7 Å²	7	61 Å²	61	3%	0.031	32%	0.324	C	S	.	.			trans	-74.8	138.7	168.3	-67.8	-91.2	0	0	0	109.3	I94 A95 L143 E144 L146 L186 Q189 L190 V193	I94-F148 HydrophobicContact CG2-CE2 3.91Å; A95-F148 HydrophobicContact CB-CD1 4.18Å; A95-F148 HydrophobicContact CB-CD2 4.07Å; A95-F148 HydrophobicContact CB-CE1 4.17Å; A95-F148 HydrophobicContact CB-CE2 4.08Å; A95-F148 HydrophobicContact CB-CG 4.12Å; A95-F148 HydrophobicContact CB-CZ 4.11Å; L143-F148 HydrophobicContact CB-CB 4.2Å; L143-F148 HydrophobicContact CB-CD2 4.15Å; L143-F148 HydrophobicContact CB-CG 4.38Å; L143-F148 HydrophobicContact CD2-CD2 3.85Å; L143-F148 HydrophobicContact CD2-CE2 3.94Å; L143-F148 WeakPolarHBondContact O-CB 3.27Å; L143-F148 WeakPolarHBondContact O-CD2 3.42Å; L143-F148 PolarHBondContact O-N 3.31Å; L143-F148 VanDerWaalsContact O-N 3.16Å; E144-F148 WeakPolarHBondContact CA-O 3.29Å; L146-F148 HydrophobicContact CB-CD2 4.13Å; L146-F148 HydrophobicContact CB-CE2 4.39Å; F148-L186 HydrophobicContact CB-CD2 4Å; F148-Q189 HydrophobicContact CD1-CB 3.68Å; F148-Q189 HydrophobicContact CE1-CB 3.94Å; F148-L190 HydrophobicContact CE1-CB 4.28Å; F148-L190 HydrophobicContact CE2-CD1 3.78Å; F148-L190 HydrophobicContact CZ-CB 4.08Å; F148-L190 HydrophobicContact CZ-CD1 3.63Å; F148-L190 HydrophobicContact CZ-CG 4.48Å; F148-V193 HydrophobicContact CE1-CG2 3.84Å; F148-V193 HydrophobicContact CZ-CG2 4.06Å
149	K	93.6	Very high	92.8	Very high	166 Å²	166	58.9 Å²	58.9	72%	0.722	32%	0.324	S	S	*	.			trans	-127.8	139.1	179.6	-65.4	-172.5	178.1	-173.1	0	109.7	Q189	K149-Q189 PolarHBondContact O-NE2 2.98Å; K149-Q189 VanDerWaalsContact O-NE2 3.09Å; K149-Q189 PolarHBondContact O-OE1 2.88Å
150	L	95.6	Very high	93.4	Very high	47 Å²	47	61.3 Å²	61.3	25%	0.246	33%	0.334	C	S	.	.			trans	-60.4	144.3	169.7	-68.3	173	0	0	0	109.6	G152 V154 K182 I185 L186	L150-G152 PolarHBondContact O-N 3.06Å; L150-V154 HydrophobicContact CD2-CG2 4.35Å; L150-K182 HydrophobicContact CD1-CB 3.91Å; L150-K182 HydrophobicContact CD1-CD 3.71Å; L150-K182 HydrophobicContact CD1-CG 3.81Å; L150-K182 HydrophobicContact CD2-CB 3.93Å; L150-K182 HydrophobicContact CD2-CG 4.28Å; L150-K182 VanDerWaalsContact CD2-O 3.31Å; L150-K182 WeakPolarHBondContact CD2-O 3.09Å; L150-I185 HydrophobicContact CD2-CB 4.28Å; L150-I185 HydrophobicContact CD2-CG2 4.33Å; L150-L186 HydrophobicContact CD2-CD1 4.37Å; L150-L186 HydrophobicContact CD2-CD2 3.8Å; L150-L186 HydrophobicContact CD2-CG 3.84Å; L150-L186 HydrophobicContact CG-CD2 4.12Å; L150-L186 HydrophobicContact CG-CG 4.44Å
151	P	94.5	Very high	93.7	Very high	32 Å²	32	61 Å²	61	21%	0.208	33%	0.332	C	S	.	.			trans	-56.8	140.3	170.1	-21.8	32.9	0	0	0	110.2	N153 V154 K157 I185	P151-N153 WeakPolarHBondContact CB-OD1 3.33Å; P151-N153 PolarHBondContact O-N 3.39Å; P151-V154 WeakPolarHBondContact O-CB 3.43Å; P151-V154 PolarHBondContact O-N 3.23Å; P151-K157 HydrophobicContact CB-CD 4.03Å; P151-K157 HydrophobicContact CG-CD 3.98Å; P151-I185 HydrophobicContact CG-CG2 4.18Å
152	G	94.9	Very high	94.4	Very high	89 Å²	89	58.6 Å²	58.6	92%	0.918	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-14.1	178.1	0	0	0	0	0	114.3	L150	L150-G152 PolarHBondContact O-N 3.06Å
153	N	96.7	Very high	95	Very high	67 Å²	67	61.9 Å²	61.9	36%	0.358	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.2	36.7	175.6	69	-22.2	0	0	0	113.4	P151 D155 E156 K157	P151-N153 WeakPolarHBondContact CB-OD1 3.33Å; P151-N153 PolarHBondContact O-N 3.39Å; N153-D155 VanDerWaalsContact C-N 3.32Å; N153-D155 PolarHBondContact O-N 2.92Å; N153-E156 HydrophobicContact CB-CB 4.33Å; N153-E156 HydrophobicContact CB-CG 4.5Å; N153-E156 VanDerWaalsContact CB-OE2 3.28Å; N153-E156 WeakPolarHBondContact CB-OE2 3.31Å; N153-E156 PolarHBondContact O-N 3.17Å; N153-K157 WeakPolarHBondContact O-CG 3.4Å; N153-K157 PolarHBondContact O-N 3.15Å; N153-K157 VanDerWaalsContact OD1-CE 3.25Å; N153-K157 WeakPolarHBondContact OD1-CE 3.31Å
154	V	97.5	Very high	95.3	Very high	13 Å²	13	67 Å²	67	8%	0.079	35%	0.352	C	S	.	.	H	α-helix	trans	-63.6	-35.7	-176.7	68.5	0	0	0	0	113	L150 P151 K157 Y158 F178 F181 K182	L150-V154 HydrophobicContact CD2-CG2 4.35Å; P151-V154 WeakPolarHBondContact O-CB 3.43Å; P151-V154 PolarHBondContact O-N 3.23Å; V154-K157 WeakPolarHBondContact O-CB 3.42Å; V154-K157 PolarHBondContact O-N 2.91Å; V154-Y158 PolarHBondContact O-N 2.92Å; V154-F178 HydrophobicContact CG1-CZ 4.28Å; V154-F178 HydrophobicContact CG2-CE2 4.28Å; V154-F181 HydrophobicContact CG2-CD1 4.48Å; V154-F181 HydrophobicContact CG2-CE1 4.28Å; V154-K182 HydrophobicContact CG2-CG 3.92Å
155	D	98	Very high	95.7	Very high	98 Å²	98	63.2 Å²	63.2	52%	0.524	33%	0.334	S	S	.	.	H	α-helix	trans	-61.8	-47.1	175.4	-59.8	-92.2	0	0	0	111.6	N153 K157 Y158 V159 F178	N153-D155 VanDerWaalsContact C-N 3.32Å; N153-D155 PolarHBondContact O-N 2.92Å; D155-K157 VanDerWaalsContact C-N 3.33Å; D155-K157 PolarHBondContact O-N 2.85Å; D155-Y158 PolarHBondContact O-N 3.15Å; D155-Y158 VanDerWaalsContact O-N 3.14Å; D155-V159 WeakPolarHBondContact O-CG2 3.34Å; D155-V159 PolarHBondContact O-N 2.7Å; D155-F178 WeakPolarHBondContact OD1-CZ 3.37Å
156	E	98.1	Very high	96.2	Very high	126 Å²	126	70.8 Å²	70.8	59%	0.589	36%	0.362	S	S	*	.	H	α-helix	trans	-61.5	-43.3	176.1	-63.2	168.1	-175.5	0	0	111	N153 Y158 V159 Q160	N153-E156 HydrophobicContact CB-CB 4.33Å; N153-E156 HydrophobicContact CB-CG 4.5Å; N153-E156 VanDerWaalsContact CB-OE2 3.28Å; N153-E156 WeakPolarHBondContact CB-OE2 3.31Å; N153-E156 PolarHBondContact O-N 3.17Å; E156-Y158 VanDerWaalsContact C-N 3.29Å; E156-Y158 PolarHBondContact O-N 2.77Å; E156-V159 PolarHBondContact O-N 2.7Å; E156-Q160 WeakPolarHBondContact O-CG 3.24Å; E156-Q160 PolarHBondContact O-N 3.27Å
157	K	98.1	Very high	96.5	Very high	81 Å²	81	73 Å²	73	35%	0.352	37%	0.371	S	S	.	.	H	α-helix	trans	-59.8	-38.5	174.9	-77.1	173.2	173.5	-79.4	0	112.1	P151 N153 V154 D155 Q160 F161 F181	P151-K157 HydrophobicContact CB-CD 4.03Å; P151-K157 HydrophobicContact CG-CD 3.98Å; N153-K157 WeakPolarHBondContact O-CG 3.4Å; N153-K157 PolarHBondContact O-N 3.15Å; N153-K157 VanDerWaalsContact OD1-CE 3.25Å; N153-K157 WeakPolarHBondContact OD1-CE 3.31Å; V154-K157 WeakPolarHBondContact O-CB 3.42Å; V154-K157 PolarHBondContact O-N 2.91Å; D155-K157 VanDerWaalsContact C-N 3.33Å; D155-K157 PolarHBondContact O-N 2.85Å; K157-Q160 PolarHBondContact O-N 3.09Å; K157-F161 VanDerWaalsContact O-CB 3.31Å; K157-F161 WeakPolarHBondContact O-CB 3.4Å; K157-F161 PolarHBondContact O-N 3.48Å; K157-F181 HydrophobicContact CB-CE1 4.33Å; K157-F181 HydrophobicContact CB-CZ 4.32Å
158	Y	98.5	Very high	96.8	Very high	8 Å²	8	80.2 Å²	80.2	3%	0.031	40%	0.399	C	S	.	.	H	α-helix	trans	-69	-41.5	177.4	-175.9	-120.2	0	0	0	111.9	V154 D155 E156 Q160 F161 K162 Y169 D174 R177 F178 F181	V154-Y158 PolarHBondContact O-N 2.92Å; D155-Y158 PolarHBondContact O-N 3.15Å; D155-Y158 VanDerWaalsContact O-N 3.14Å; E156-Y158 VanDerWaalsContact C-N 3.29Å; E156-Y158 PolarHBondContact O-N 2.77Å; Y158-Q160 PolarHBondContact O-N 2.82Å; Y158-F161 AromaticContact CD2-CD1 3.81Å; Y158-F161 HydrophobicContact CD2-CD1 3.81Å; Y158-F161 HydrophobicContact CD2-CE1 4.44Å; Y158-F161 AromaticContact CE2-CD1 3.85Å; Y158-F161 HydrophobicContact CE2-CD1 3.85Å; Y158-F161 HydrophobicContact CE2-CE1 4.05Å; Y158-F161 WeakPolarHBondContact O-CB 3.14Å; Y158-F161 PolarHBondContact O-N 3.16Å; Y158-K162 HydrophobicContact CD1-CD 4.49Å; Y158-K162 HydrophobicContact CE1-CD 3.85Å; Y158-K162 HydrophobicContact CE1-CG 4.41Å; Y158-K162 HydrophobicContact CE2-CD 4.45Å; Y158-K162 HydrophobicContact CE2-CG 4.27Å; Y158-K162 WeakPolarHBondContact O-CG 3.3Å; Y158-K162 PolarHBondContact O-N 2.95Å; Y158-Y169 WeakPolarHBondContact OH-CE2 3.41Å; Y158-D174 WeakPolarHBondContact CE1-OD1 3.47Å; Y158-D174 PolarHBondContact OH-O 3.13Å; Y158-D174 PolarHBondContact OH-OD1 2.89Å; Y158-R177 WeakPolarHBondContact OH-CB 3.41Å; Y158-F178 HydrophobicContact CD1-CB 4.06Å; Y158-F178 AromaticContact CD1-CD2 3.52Å; Y158-F178 HydrophobicContact CD1-CD2 3.52Å; Y158-F178 HydrophobicContact CD1-CE2 4.16Å; Y158-F178 AromaticContact CD1-CG 3.92Å; Y158-F178 HydrophobicContact CD1-CG 3.92Å; Y158-F178 AromaticContact CD2-CD2 3.91Å; Y158-F178 HydrophobicContact CD2-CD2 3.91Å; Y158-F178 HydrophobicContact CE1-CB 3.72Å; Y158-F178 HydrophobicContact CE1-CD2 4.09Å; Y158-F178 HydrophobicContact CE1-CG 4.11Å; Y158-F178 HydrophobicContact CE2-CB 4.38Å; Y158-F178 HydrophobicContact CE2-CD2 4.43Å; Y158-F178 AromaticContact CG-CD2 3.43Å; Y158-F178 HydrophobicContact CG-CD2 3.43Å; Y158-F178 VanDerWaalsContact CG-CD2 3.43Å; Y158-F178 AromaticContact CG-CE2 3.94Å; Y158-F178 HydrophobicContact CG-CE2 3.94Å; Y158-F178 HydrophobicContact CG-CG 4.26Å; Y158-F181 HydrophobicContact CD2-CB 3.88Å; Y158-F181 AromaticContact CD2-CD1 3.78Å; Y158-F181 HydrophobicContact CD2-CD1 3.78Å; Y158-F181 AromaticContact CD2-CD2 3.99Å; Y158-F181 HydrophobicContact CD2-CD2 3.99Å; Y158-F181 HydrophobicContact CD2-CE1 4.27Å; Y158-F181 HydrophobicContact CD2-CE2 4.45Å; Y158-F181 AromaticContact CD2-CG 3.61Å; Y158-F181 HydrophobicContact CD2-CG 3.61Å; Y158-F181 HydrophobicContact CE2-CB 4.05Å; Y158-F181 HydrophobicContact CE2-CG 4.22Å; Y158-F181 HydrophobicContact CG-CD1 4.3Å
159	V	98.1	Very high	97	Very high	71 Å²	71	82.1 Å²	82.1	43%	0.43	41%	0.406	S	S	.	.	H	α-helix	trans	-59.3	-46.9	172.3	173.1	0	0	0	0	110.9	D155 E156 F161 K162 L163	D155-V159 WeakPolarHBondContact O-CG2 3.34Å; D155-V159 PolarHBondContact O-N 2.7Å; E156-V159 PolarHBondContact O-N 2.7Å; V159-F161 PolarHBondContact O-N 3.22Å; V159-K162 PolarHBondContact O-N 2.84Å; V159-L163 HydrophobicContact CG1-CD1 4.03Å; V159-L163 HydrophobicContact CG1-CG 4.5Å; V159-L163 WeakPolarHBondContact O-CG 3.28Å; V159-L163 PolarHBondContact O-N 2.62Å
160	Q	98.1	Very high	97	Very high	117 Å²	117	80.3 Å²	80.3	55%	0.547	40%	0.399	S	S	.	.	H	α-helix	trans	-65	-38.1	177.7	-66.9	-52.4	-48.2	0	0	112.6	E156 K157 Y158 L163 K164	E156-Q160 WeakPolarHBondContact O-CG 3.24Å; E156-Q160 PolarHBondContact O-N 3.27Å; K157-Q160 PolarHBondContact O-N 3.09Å; Y158-Q160 PolarHBondContact O-N 2.82Å; Q160-L163 PolarHBondContact O-N 3.05Å; Q160-K164 WeakPolarHBondContact O-CB 3.49Å; Q160-K164 PolarHBondContact O-N 2.77Å
161	F	98.4	Very high	96.8	Very high	3 Å²	3	86 Å²	86	1%	0.013	43%	0.425	C	S	.	.	H	α-helix	trans	-57	-50	172.3	159.1	-99.8	0	0	0	111.2	K157 Y158 V159 L163 K164 Y165 K167 F181 V203 T204 D208	K157-F161 VanDerWaalsContact O-CB 3.31Å; K157-F161 WeakPolarHBondContact O-CB 3.4Å; K157-F161 PolarHBondContact O-N 3.48Å; Y158-F161 AromaticContact CD2-CD1 3.81Å; Y158-F161 HydrophobicContact CD2-CD1 3.81Å; Y158-F161 HydrophobicContact CD2-CE1 4.44Å; Y158-F161 AromaticContact CE2-CD1 3.85Å; Y158-F161 HydrophobicContact CE2-CD1 3.85Å; Y158-F161 HydrophobicContact CE2-CE1 4.05Å; Y158-F161 WeakPolarHBondContact O-CB 3.14Å; Y158-F161 PolarHBondContact O-N 3.16Å; V159-F161 PolarHBondContact O-N 3.22Å; F161-L163 PolarHBondContact O-N 3.4Å; F161-K164 PolarHBondContact O-N 2.97Å; F161-Y165 AromaticContact CD2-CD2 3.42Å; F161-Y165 HydrophobicContact CD2-CD2 3.42Å; F161-Y165 VanDerWaalsContact CD2-CD2 3.42Å; F161-Y165 AromaticContact CD2-CE2 3.75Å; F161-Y165 HydrophobicContact CD2-CE2 3.75Å; F161-Y165 AromaticContact CE2-CD2 3.59Å; F161-Y165 HydrophobicContact CE2-CD2 3.59Å; F161-Y165 HydrophobicContact CE2-CE2 4.13Å; F161-Y165 HydrophobicContact CG-CD2 4.39Å; F161-Y165 WeakPolarHBondContact O-CD2 3.47Å; F161-Y165 PolarHBondContact O-N 2.84Å; F161-K167 HydrophobicContact CE1-CB 4.47Å; F161-K167 HydrophobicContact CE1-CG 3.89Å; F161-K167 HydrophobicContact CZ-CD 4.34Å; F161-K167 HydrophobicContact CZ-CG 3.8Å; F161-F181 HydrophobicContact CB-CE2 3.76Å; F161-F181 HydrophobicContact CB-CZ 4.12Å; F161-F181 HydrophobicContact CD1-CD2 4.11Å; F161-F181 HydrophobicContact CD1-CE2 4.11Å; F161-F181 HydrophobicContact CD2-CD2 4.45Å; F161-F181 HydrophobicContact CD2-CE2 4.02Å; F161-F181 HydrophobicContact CE1-CD2 4.48Å; F161-F181 HydrophobicContact CG-CD2 4.11Å; F161-F181 AromaticContact CG-CE2 3.68Å; F161-F181 HydrophobicContact CG-CE2 3.68Å; F161-V203 HydrophobicContact CB-CG1 3.98Å; F161-V203 HydrophobicContact CD2-CG1 3.66Å; F161-V203 HydrophobicContact CG-CG1 4.23Å; F161-T204 WeakPolarHBondContact CE2-O 3.5Å; F161-D208 HydrophobicContact CE1-CB 3.87Å; F161-D208 HydrophobicContact CZ-CB 3.68Å
162	K	98.4	Very high	96.7	Very high	47 Å²	47	89 Å²	89	20%	0.204	44%	0.443	C	S	.	.	H	α-helix	trans	-62.1	-44.1	179.3	-70	-165.8	-73.6	-172.9	0	112	Y158 V159 R166 K167 Y169 D174	Y158-K162 HydrophobicContact CD1-CD 4.49Å; Y158-K162 HydrophobicContact CE1-CD 3.85Å; Y158-K162 HydrophobicContact CE1-CG 4.41Å; Y158-K162 HydrophobicContact CE2-CD 4.45Å; Y158-K162 HydrophobicContact CE2-CG 4.27Å; Y158-K162 WeakPolarHBondContact O-CG 3.3Å; Y158-K162 PolarHBondContact O-N 2.95Å; V159-K162 PolarHBondContact O-N 2.84Å; K162-R166 CarbonylContact O-C 3.57Å; K162-R166 VanDerWaalsContact O-CA 3.25Å; K162-R166 WeakPolarHBondContact O-CA 3.21Å; K162-R166 PolarHBondContact O-N 2.82Å; K162-K167 HydrophobicContact CB-CB 4.25Å; K162-K167 HydrophobicContact CG-CB 4.11Å; K162-K167 PolarHBondContact O-N 2.93Å; K162-Y169 HydrophobicContact CD-CD2 4.09Å; K162-Y169 HydrophobicContact CD-CE2 3.99Å; K162-Y169 HydrophobicContact CG-CE2 4.23Å; K162-D174 WeakPolarHBondContact CD-OD1 3.35Å; K162-D174 IonicContact NZ-OD1 2.91Å; K162-D174 PolarHBondContact NZ-OD1 2.74Å; K162-D174 IonicContact NZ-OD2 2.66Å; K162-D174 PolarHBondContact NZ-OD2 2.97Å
163	L	98	Very high	96.7	Very high	114 Å²	114	88 Å²	88	60%	0.597	41%	0.414	S	S	*	.	H	α-helix	trans	-63.8	-48.8	177.6	-70.2	173.2	0	0	0	112	V159 Q160 F161 Y165 R166	V159-L163 HydrophobicContact CG1-CD1 4.03Å; V159-L163 HydrophobicContact CG1-CG 4.5Å; V159-L163 WeakPolarHBondContact O-CG 3.28Å; V159-L163 PolarHBondContact O-N 2.62Å; Q160-L163 PolarHBondContact O-N 3.05Å; F161-L163 PolarHBondContact O-N 3.4Å; L163-Y165 PolarHBondContact O-N 3Å; L163-R166 PolarHBondContact O-N 3.48Å
164	K	97.8	Very high	96.7	Very high	119 Å²	119	87 Å²	87	52%	0.517	41%	0.409	S	S	.	.	H	α-helix	trans	-59.4	-48.4	-177.6	-176.3	-179.8	177.9	-164.6	0	111.5	Q160 F161	Q160-K164 WeakPolarHBondContact O-CB 3.49Å; Q160-K164 PolarHBondContact O-N 2.77Å; F161-K164 PolarHBondContact O-N 2.97Å
165	Y	97.3	Very high	96.7	Very high	31 Å²	31	92.8 Å²	92.8	12%	0.122	44%	0.435	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	15.8	-175.5	-53.7	-60.8	0	0	0	113.5	F161 L163 K167 V203 T204 P205 E429	F161-Y165 AromaticContact CD2-CD2 3.42Å; F161-Y165 HydrophobicContact CD2-CD2 3.42Å; F161-Y165 VanDerWaalsContact CD2-CD2 3.42Å; F161-Y165 AromaticContact CD2-CE2 3.75Å; F161-Y165 HydrophobicContact CD2-CE2 3.75Å; F161-Y165 AromaticContact CE2-CD2 3.59Å; F161-Y165 HydrophobicContact CE2-CD2 3.59Å; F161-Y165 HydrophobicContact CE2-CE2 4.13Å; F161-Y165 HydrophobicContact CG-CD2 4.39Å; F161-Y165 WeakPolarHBondContact O-CD2 3.47Å; F161-Y165 PolarHBondContact O-N 2.84Å; L163-Y165 PolarHBondContact O-N 3Å; Y165-K167 PolarHBondContact O-N 2.92Å; Y165-K167 VanDerWaalsContact O-N 3.16Å; Y165-V203 HydrophobicContact CE2-CG1 4.1Å; Y165-V203 PolarHBondContact OH-O 3.18Å; Y165-T204 WeakPolarHBondContact CE2-O 3.1Å; Y165-P205 HydrophobicContact CD1-CB 4.01Å; Y165-P205 HydrophobicContact CD1-CG 3.63Å; Y165-P205 HydrophobicContact CE1-CB 4.31Å; Y165-P205 HydrophobicContact CE1-CG 3.51Å; Y165-P205 HydrophobicContact CG-CB 4.13Å; Y165-P205 HydrophobicContact CG-CG 4.22Å; Y165-E429 HydrophobicContact CD1-CB 4.22Å; Y165-E429 HydrophobicContact CE1-CB 4.15Å
166	R	96.8	Very high	96.6	Very high	223 Å²	223	92.9 Å²	92.9	84%	0.842	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	39.4	176.4	-53.7	178.4	-172.1	172.1	3.1	113.1	K162 L163	K162-R166 CarbonylContact O-C 3.57Å; K162-R166 VanDerWaalsContact O-CA 3.25Å; K162-R166 WeakPolarHBondContact O-CA 3.21Å; K162-R166 PolarHBondContact O-N 2.82Å; L163-R166 PolarHBondContact O-N 3.48Å
167	K	96.8	Very high	96.6	Very high	50 Å²	50	88.4 Å²	88.4	22%	0.217	41%	0.412	C	S	.	.			trans	-78	135.1	179.6	-59	-69.8	-168.9	140.1	0	110.2	F161 K162 Y165 Y169 P205 D208	F161-K167 HydrophobicContact CE1-CB 4.47Å; F161-K167 HydrophobicContact CE1-CG 3.89Å; F161-K167 HydrophobicContact CZ-CD 4.34Å; F161-K167 HydrophobicContact CZ-CG 3.8Å; K162-K167 HydrophobicContact CB-CB 4.25Å; K162-K167 HydrophobicContact CG-CB 4.11Å; K162-K167 PolarHBondContact O-N 2.93Å; Y165-K167 PolarHBondContact O-N 2.92Å; Y165-K167 VanDerWaalsContact O-N 3.16Å; K167-Y169 HydrophobicContact CB-CE2 3.74Å; K167-Y169 WeakPolarHBondContact CB-OH 3.49Å; K167-Y169 WeakPolarHBondContact CD-OH 3.18Å; K167-Y169 WeakPolarHBondContact CG-OH 3.12Å; K167-P205 WeakPolarHBondContact CE-O 3.01Å; K167-P205 PolarHBondContact NZ-O 3.48Å; K167-D208 VanDerWaalsContact NZ-CG 3.33Å; K167-D208 IonicContact NZ-OD1 3.92Å; K167-D208 PolarHBondContact NZ-OD1 3.44Å; K167-D208 IonicContact NZ-OD2 3.15Å; K167-D208 PolarHBondContact NZ-OD2 3.16Å
168	Q	94.9	Very high	96.6	Very high	176 Å²	176	86.2 Å²	86.2	82%	0.822	40%	0.403	S	S	*	.			trans	-135.9	131.6	176.1	-63.7	-178.7	-1.6	0	0	107.9
169	Y	96.2	Very high	96.5	Very high	47 Å²	47	89.2 Å²	89.2	18%	0.184	42%	0.419	C	S	.	.			trans	-133.6	154.2	-179.4	-49.5	-72.2	0	0	0	109.6	Y158 K162 K167 E173 D174 R177 D208	Y158-Y169 WeakPolarHBondContact OH-CE2 3.41Å; K162-Y169 HydrophobicContact CD-CD2 4.09Å; K162-Y169 HydrophobicContact CD-CE2 3.99Å; K162-Y169 HydrophobicContact CG-CE2 4.23Å; K167-Y169 HydrophobicContact CB-CE2 3.74Å; K167-Y169 WeakPolarHBondContact CB-OH 3.49Å; K167-Y169 WeakPolarHBondContact CD-OH 3.18Å; K167-Y169 WeakPolarHBondContact CG-OH 3.12Å; Y169-E173 HydrophobicContact CD1-CG 4.08Å; Y169-E173 HydrophobicContact CG-CG 4.35Å; Y169-D174 WeakPolarHBondContact CD2-OD1 3.44Å; Y169-R177 HydrophobicContact CD1-CG 3.8Å; Y169-R177 HydrophobicContact CD2-CB 4.3Å; Y169-R177 HydrophobicContact CD2-CG 4.26Å; Y169-R177 HydrophobicContact CE1-CB 4.46Å; Y169-R177 HydrophobicContact CE1-CG 3.72Å; Y169-R177 HydrophobicContact CE2-CB 4.09Å; Y169-R177 HydrophobicContact CE2-CG 4.2Å; Y169-R177 HydrophobicContact CG-CG 4.07Å; Y169-D208 WeakPolarHBondContact OH-CB 3.41Å; Y169-D208 PolarHBondContact OH-OD2 2.81Å
170	H	95	Very high	96.5	Very high	127 Å²	127	86.8 Å²	86.8	59%	0.588	40%	0.404	S	S	*	.			trans	-65.6	153.6	165	-171.8	-98	0	0	0	109.9	T172 E173 D174	H170-T172 VanDerWaalsContact C-N 3.31Å; H170-T172 PolarHBondContact ND1-OG1 2.99Å; H170-T172 PolarHBondContact O-N 2.63Å; H170-E173 CarbonylContact O-C 3.59Å; H170-E173 WeakPolarHBondContact O-CA 3.29Å; H170-E173 PolarHBondContact O-N 3.15Å; H170-D174 PolarHBondContact O-N 3.24Å
171	E	90.1	Very high	96.5	Very high	168 Å²	168	81.2 Å²	81.2	79%	0.785	38%	0.378	S	S	*	.	H	α-helix	trans	-51.8	-46.8	-175	-173.9	175.1	-173.1	0	0	112.9	E173 D174 E175	E171-E173 VanDerWaalsContact C-N 3.3Å; E171-E173 PolarHBondContact O-N 2.95Å; E171-D174 PolarHBondContact O-N 3.3Å; E171-E175 PolarHBondContact O-N 3.42Å
172	T	92.2	Very high	96.5	Very high	95 Å²	95	83.7 Å²	83.7	58%	0.583	39%	0.388	S	S	*	.	H	α-helix	trans	-66	-29.2	177.4	55.8	0	0	0	0	113.7	H170 I176	H170-T172 VanDerWaalsContact C-N 3.31Å; H170-T172 PolarHBondContact ND1-OG1 2.99Å; H170-T172 PolarHBondContact O-N 2.63Å; T172-I176 WeakPolarHBondContact O-CD1 3.4Å; T172-I176 WeakPolarHBondContact O-CG1 3.47Å
173	E	95.8	Very high	96.3	Very high	68 Å²	68	84.5 Å²	84.5	32%	0.318	40%	0.4	S	S	.	.	H	α-helix	trans	-81.5	-35	175.9	179.3	177.1	-171.8	0	0	111.2	Y169 H170 E171 E175 I176 R177	Y169-E173 HydrophobicContact CD1-CG 4.08Å; Y169-E173 HydrophobicContact CG-CG 4.35Å; H170-E173 CarbonylContact O-C 3.59Å; H170-E173 WeakPolarHBondContact O-CA 3.29Å; H170-E173 PolarHBondContact O-N 3.15Å; E171-E173 VanDerWaalsContact C-N 3.3Å; E171-E173 PolarHBondContact O-N 2.95Å; E173-E175 VanDerWaalsContact C-N 3.28Å; E173-E175 PolarHBondContact O-N 3.45Å; E173-I176 WeakPolarHBondContact O-CB 3.38Å; E173-I176 PolarHBondContact O-N 3.24Å; E173-R177 HydrophobicContact CG-CG 3.73Å; E173-R177 VanDerWaalsContact O-CG 3.25Å; E173-R177 WeakPolarHBondContact O-CG 3.06Å; E173-R177 PolarHBondContact O-N 2.97Å; E173-R177 IonicContact OE1-CZ 2.78Å; E173-R177 IonicContact OE1-NE 3.67Å; E173-R177 PolarHBondContact OE1-NE 2.87Å; E173-R177 IonicContact OE1-NH2 2.78Å; E173-R177 PolarHBondContact OE1-NH2 3.23Å
174	D	97.6	Very high	96.3	Very high	44 Å²	44	79.1 Å²	79.1	24%	0.235	37%	0.372	C	S	.	.	H	α-helix	trans	-60	-39.3	-178	-165.5	53.5	0	0	0	111.7	Y158 K162 Y169 H170 E171 R177 F178	Y158-D174 WeakPolarHBondContact CE1-OD1 3.47Å; Y158-D174 PolarHBondContact OH-O 3.13Å; Y158-D174 PolarHBondContact OH-OD1 2.89Å; K162-D174 WeakPolarHBondContact CD-OD1 3.35Å; K162-D174 IonicContact NZ-OD1 2.91Å; K162-D174 PolarHBondContact NZ-OD1 2.74Å; K162-D174 IonicContact NZ-OD2 2.66Å; K162-D174 PolarHBondContact NZ-OD2 2.97Å; Y169-D174 WeakPolarHBondContact CD2-OD1 3.44Å; H170-D174 PolarHBondContact O-N 3.24Å; E171-D174 PolarHBondContact O-N 3.3Å; D174-R177 PolarHBondContact O-N 3.37Å; D174-F178 VanDerWaalsContact O-CB 3.31Å; D174-F178 WeakPolarHBondContact O-CB 3.45Å; D174-F178 PolarHBondContact O-N 3.43Å
175	E	95.9	Very high	96.3	Very high	135 Å²	135	74.1 Å²	74.1	63%	0.631	35%	0.35	S	S	*	.	H	α-helix	trans	-63.6	-42.6	174.8	-171.6	-179.8	-178.5	0	0	111.9	E171 E173 F178 N179	E171-E175 PolarHBondContact O-N 3.42Å; E173-E175 VanDerWaalsContact C-N 3.28Å; E173-E175 PolarHBondContact O-N 3.45Å; E175-F178 PolarHBondContact O-N 2.7Å; E175-N179 PolarHBondContact O-N 3.43Å; E175-N179 PolarHBondContact O-ND2 2.83Å
176	I	97.3	Very high	96.2	Very high	100 Å²	100	73.1 Å²	73.1	51%	0.513	35%	0.347	S	S	.	.	H	α-helix	trans	-63.5	-48.4	176.9	-64	171.1	0	0	0	110	T172 E173 F178 N179 I180	T172-I176 WeakPolarHBondContact O-CD1 3.4Å; T172-I176 WeakPolarHBondContact O-CG1 3.47Å; E173-I176 WeakPolarHBondContact O-CB 3.38Å; E173-I176 PolarHBondContact O-N 3.24Å; I176-F178 VanDerWaalsContact C-N 3.29Å; I176-F178 PolarHBondContact O-N 3.32Å; I176-N179 PolarHBondContact O-N 3.36Å; I176-I180 HydrophobicContact CG2-CD1 3.89Å; I176-I180 WeakPolarHBondContact O-CG1 3.16Å; I176-I180 PolarHBondContact O-N 3.03Å
177	R	98	Very high	96.2	Very high	32 Å²	32	64.4 Å²	64.4	12%	0.121	32%	0.315	C	S	.	.	H	α-helix	trans	-63	-36	179.2	-64.9	-70.7	173.2	-148.3	-3.3	111.5	Y158 Y169 E173 D174 I180 F181 D208 E213	Y158-R177 WeakPolarHBondContact OH-CB 3.41Å; Y169-R177 HydrophobicContact CD1-CG 3.8Å; Y169-R177 HydrophobicContact CD2-CB 4.3Å; Y169-R177 HydrophobicContact CD2-CG 4.26Å; Y169-R177 HydrophobicContact CE1-CB 4.46Å; Y169-R177 HydrophobicContact CE1-CG 3.72Å; Y169-R177 HydrophobicContact CE2-CB 4.09Å; Y169-R177 HydrophobicContact CE2-CG 4.2Å; Y169-R177 HydrophobicContact CG-CG 4.07Å; E173-R177 HydrophobicContact CG-CG 3.73Å; E173-R177 VanDerWaalsContact O-CG 3.25Å; E173-R177 WeakPolarHBondContact O-CG 3.06Å; E173-R177 PolarHBondContact O-N 2.97Å; E173-R177 IonicContact OE1-CZ 2.78Å; E173-R177 IonicContact OE1-NE 3.67Å; E173-R177 PolarHBondContact OE1-NE 2.87Å; E173-R177 IonicContact OE1-NH2 2.78Å; E173-R177 PolarHBondContact OE1-NH2 3.23Å; D174-R177 PolarHBondContact O-N 3.37Å; R177-I180 PolarHBondContact O-N 3.27Å; R177-F181 VanDerWaalsContact O-CB 3.26Å; R177-F181 WeakPolarHBondContact O-CB 3.44Å; R177-F181 PolarHBondContact O-N 2.91Å; R177-D208 HydrophobicContact CB-CB 4.45Å; R177-D208 WeakPolarHBondContact CD-O 3.45Å; R177-D208 PolarHBondContact NH1-O 2.76Å; R177-E213 IonicContact CZ-OE1 2.84Å; R177-E213 VanDerWaalsContact NH1-CD 3.3Å; R177-E213 IonicContact NH1-OE1 3.82Å; R177-E213 PolarHBondContact NH1-OE1 3.02Å; R177-E213 IonicContact NH1-OE2 2.67Å; R177-E213 PolarHBondContact NH1-OE2 2.92Å; R177-E213 VanDerWaalsContact NH1-OE2 3.08Å; R177-E213 IonicContact NH2-OE1 3.66Å; R177-E213 PolarHBondContact NH2-OE1 3.39Å; R177-E213 VanDerWaalsContact NH2-OE1 3.15Å
178	F	98.2	Very high	96.2	Very high	36 Å²	36	62.2 Å²	62.2	16%	0.158	31%	0.307	C	S	.	.	H	α-helix	trans	-66.7	-40.4	174.4	-175.4	-142.1	0	0	0	112.5	V154 D155 Y158 D174 E175 I176 F181 K182	V154-F178 HydrophobicContact CG1-CZ 4.28Å; V154-F178 HydrophobicContact CG2-CE2 4.28Å; D155-F178 WeakPolarHBondContact OD1-CZ 3.37Å; Y158-F178 HydrophobicContact CD1-CB 4.06Å; Y158-F178 AromaticContact CD1-CD2 3.52Å; Y158-F178 HydrophobicContact CD1-CD2 3.52Å; Y158-F178 HydrophobicContact CD1-CE2 4.16Å; Y158-F178 AromaticContact CD1-CG 3.92Å; Y158-F178 HydrophobicContact CD1-CG 3.92Å; Y158-F178 AromaticContact CD2-CD2 3.91Å; Y158-F178 HydrophobicContact CD2-CD2 3.91Å; Y158-F178 HydrophobicContact CE1-CB 3.72Å; Y158-F178 HydrophobicContact CE1-CD2 4.09Å; Y158-F178 HydrophobicContact CE1-CG 4.11Å; Y158-F178 HydrophobicContact CE2-CB 4.38Å; Y158-F178 HydrophobicContact CE2-CD2 4.43Å; Y158-F178 AromaticContact CG-CD2 3.43Å; Y158-F178 HydrophobicContact CG-CD2 3.43Å; Y158-F178 VanDerWaalsContact CG-CD2 3.43Å; Y158-F178 AromaticContact CG-CE2 3.94Å; Y158-F178 HydrophobicContact CG-CE2 3.94Å; Y158-F178 HydrophobicContact CG-CG 4.26Å; D174-F178 VanDerWaalsContact O-CB 3.31Å; D174-F178 WeakPolarHBondContact O-CB 3.45Å; D174-F178 PolarHBondContact O-N 3.43Å; E175-F178 PolarHBondContact O-N 2.7Å; I176-F178 VanDerWaalsContact C-N 3.29Å; I176-F178 PolarHBondContact O-N 3.32Å; F178-F181 HydrophobicContact CD2-CD1 4.35Å; F178-F181 WeakPolarHBondContact O-CB 3.21Å; F178-F181 PolarHBondContact O-N 2.8Å; F178-K182 HydrophobicContact CD2-CG 4.26Å; F178-K182 HydrophobicContact CE1-CD 4.26Å; F178-K182 HydrophobicContact CE2-CD 4.2Å; F178-K182 HydrophobicContact CE2-CG 3.97Å; F178-K182 HydrophobicContact CZ-CD 4.03Å; F178-K182 HydrophobicContact CZ-CG 4.3Å; F178-K182 WeakPolarHBondContact O-CG 3.42Å; F178-K182 PolarHBondContact O-N 2.87Å
179	N	96.6	Very high	96.2	Very high	70 Å²	70	56.6 Å²	56.6	37%	0.374	28%	0.28	S	S	.	.	H	α-helix	trans	-64.9	-39.7	175	-73	-35.9	0	0	0	112.6	E175 I176 K182 S183	E175-N179 PolarHBondContact O-N 3.43Å; E175-N179 PolarHBondContact O-ND2 2.83Å; I176-N179 PolarHBondContact O-N 3.36Å; N179-K182 WeakPolarHBondContact OD1-CE 3.44Å; N179-K182 PolarHBondContact OD1-NZ 2.92Å; N179-S183 PolarHBondContact O-N 2.65Å; N179-S183 VanDerWaalsContact O-N 3.14Å; N179-S183 PolarHBondContact O-OG 2.81Å
180	I	97.4	Very high	96.1	Very high	21 Å²	21	54.3 Å²	54.3	11%	0.108	27%	0.272	C	S	.	.	H	α-helix	trans	-63.5	-46.4	172.7	-64.5	162.7	0	0	0	110.3	I176 R177 K182 S183 N184 D208 L209 T210	I176-I180 HydrophobicContact CG2-CD1 3.89Å; I176-I180 WeakPolarHBondContact O-CG1 3.16Å; I176-I180 PolarHBondContact O-N 3.03Å; R177-I180 PolarHBondContact O-N 3.27Å; I180-K182 PolarHBondContact O-N 3.32Å; I180-S183 WeakPolarHBondContact O-CB 3.4Å; I180-S183 PolarHBondContact O-N 3.44Å; I180-N184 WeakPolarHBondContact O-CB 3.34Å; I180-N184 PolarHBondContact O-N 3.25Å; I180-D208 VanDerWaalsContact CG2-C 3.48Å; I180-D208 WeakPolarHBondContact CG2-O 3.36Å; I180-L209 VanDerWaalsContact CG2-C 3.45Å; I180-T210 HydrophobicContact CD1-CG2 3.66Å; I180-T210 HydrophobicContact CG1-CG2 3.86Å; I180-T210 HydrophobicContact CG2-CG2 4.33Å
181	F	98.4	Very high	96.1	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-55.7	-49.9	177.6	179.4	-94.7	0	0	0	111.9	V154 K157 Y158 F161 R177 F178 S183 N184 I185 V203 S207	V154-F181 HydrophobicContact CG2-CD1 4.48Å; V154-F181 HydrophobicContact CG2-CE1 4.28Å; K157-F181 HydrophobicContact CB-CE1 4.33Å; K157-F181 HydrophobicContact CB-CZ 4.32Å; Y158-F181 HydrophobicContact CD2-CB 3.88Å; Y158-F181 AromaticContact CD2-CD1 3.78Å; Y158-F181 HydrophobicContact CD2-CD1 3.78Å; Y158-F181 AromaticContact CD2-CD2 3.99Å; Y158-F181 HydrophobicContact CD2-CD2 3.99Å; Y158-F181 HydrophobicContact CD2-CE1 4.27Å; Y158-F181 HydrophobicContact CD2-CE2 4.45Å; Y158-F181 AromaticContact CD2-CG 3.61Å; Y158-F181 HydrophobicContact CD2-CG 3.61Å; Y158-F181 HydrophobicContact CE2-CB 4.05Å; Y158-F181 HydrophobicContact CE2-CG 4.22Å; Y158-F181 HydrophobicContact CG-CD1 4.3Å; F161-F181 HydrophobicContact CB-CE2 3.76Å; F161-F181 HydrophobicContact CB-CZ 4.12Å; F161-F181 HydrophobicContact CD1-CD2 4.11Å; F161-F181 HydrophobicContact CD1-CE2 4.11Å; F161-F181 HydrophobicContact CD2-CD2 4.45Å; F161-F181 HydrophobicContact CD2-CE2 4.02Å; F161-F181 HydrophobicContact CE1-CD2 4.48Å; F161-F181 HydrophobicContact CG-CD2 4.11Å; F161-F181 AromaticContact CG-CE2 3.68Å; F161-F181 HydrophobicContact CG-CE2 3.68Å; R177-F181 VanDerWaalsContact O-CB 3.26Å; R177-F181 WeakPolarHBondContact O-CB 3.44Å; R177-F181 PolarHBondContact O-N 2.91Å; F178-F181 HydrophobicContact CD2-CD1 4.35Å; F178-F181 WeakPolarHBondContact O-CB 3.21Å; F178-F181 PolarHBondContact O-N 2.8Å; F181-S183 VanDerWaalsContact C-N 3.35Å; F181-S183 PolarHBondContact O-N 3.31Å; F181-N184 PolarHBondContact O-N 2.92Å; F181-N184 VanDerWaalsContact O-N 3.16Å; F181-I185 HydrophobicContact CD1-CG1 4.18Å; F181-I185 HydrophobicContact CE1-CD1 4.11Å; F181-I185 HydrophobicContact CE1-CG1 3.87Å; F181-I185 HydrophobicContact CE2-CD1 4.35Å; F181-I185 HydrophobicContact CZ-CD1 3.88Å; F181-I185 HydrophobicContact CZ-CG1 4.14Å; F181-I185 WeakPolarHBondContact O-CG1 3.4Å; F181-I185 PolarHBondContact O-N 3.03Å; F181-V203 HydrophobicContact CE2-CG1 3.99Å; F181-V203 HydrophobicContact CE2-CG2 3.88Å; F181-V203 HydrophobicContact CZ-CG1 4.44Å; F181-V203 HydrophobicContact CZ-CG2 3.75Å; F181-S207 WeakPolarHBondContact CA-O 3.21Å
182	K	97.5	Very high	96.4	Very high	54 Å²	54	44 Å²	44	24%	0.235	22%	0.223	C	C	.	.	H	α-helix	trans	-54.4	-50.5	175	-74.3	-177.2	-63.3	-178.1	0	111.5	L150 V154 F178 N179 I180 N184 I185 L186	L150-K182 HydrophobicContact CD1-CB 3.91Å; L150-K182 HydrophobicContact CD1-CD 3.71Å; L150-K182 HydrophobicContact CD1-CG 3.81Å; L150-K182 HydrophobicContact CD2-CB 3.93Å; L150-K182 HydrophobicContact CD2-CG 4.28Å; L150-K182 VanDerWaalsContact CD2-O 3.31Å; L150-K182 WeakPolarHBondContact CD2-O 3.09Å; V154-K182 HydrophobicContact CG2-CG 3.92Å; F178-K182 HydrophobicContact CD2-CG 4.26Å; F178-K182 HydrophobicContact CE1-CD 4.26Å; F178-K182 HydrophobicContact CE2-CD 4.2Å; F178-K182 HydrophobicContact CE2-CG 3.97Å; F178-K182 HydrophobicContact CZ-CD 4.03Å; F178-K182 HydrophobicContact CZ-CG 4.3Å; F178-K182 WeakPolarHBondContact O-CG 3.42Å; F178-K182 PolarHBondContact O-N 2.87Å; N179-K182 WeakPolarHBondContact OD1-CE 3.44Å; N179-K182 PolarHBondContact OD1-NZ 2.92Å; I180-K182 PolarHBondContact O-N 3.32Å; K182-N184 VanDerWaalsContact C-N 3.27Å; K182-N184 PolarHBondContact O-N 3.14Å; K182-I185 WeakPolarHBondContact O-CB 3.31Å; K182-I185 PolarHBondContact O-N 2.88Å; K182-L186 PolarHBondContact O-N 3.42Å
183	S	95.6	Very high	96.4	Very high	64 Å²	64	41.9 Å²	41.9	45%	0.448	21%	0.21	S	C	.	.	H	α-helix	trans	-59.5	-39.7	179.1	-57.5	0	0	0	0	112.1	N179 I180 F181 L186 K187	N179-S183 PolarHBondContact O-N 2.65Å; N179-S183 VanDerWaalsContact O-N 3.14Å; N179-S183 PolarHBondContact O-OG 2.81Å; I180-S183 WeakPolarHBondContact O-CB 3.4Å; I180-S183 PolarHBondContact O-N 3.44Å; F181-S183 VanDerWaalsContact C-N 3.35Å; F181-S183 PolarHBondContact O-N 3.31Å; S183-L186 PolarHBondContact O-N 2.84Å; S183-K187 PolarHBondContact O-N 3.06Å; S183-K187 VanDerWaalsContact O-N 3.09Å
184	N	97.1	Very high	96.2	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.011	20%	0.199	C	C	.	.	H	α-helix	trans	-73.5	-30.3	179.9	-79.7	-12.5	0	0	0	113.4	I180 F181 K182 L186 K187 A188 S207 L209 F383	I180-N184 WeakPolarHBondContact O-CB 3.34Å; I180-N184 PolarHBondContact O-N 3.25Å; F181-N184 PolarHBondContact O-N 2.92Å; F181-N184 VanDerWaalsContact O-N 3.16Å; K182-N184 VanDerWaalsContact C-N 3.27Å; K182-N184 PolarHBondContact O-N 3.14Å; N184-L186 VanDerWaalsContact C-N 3.3Å; N184-L186 PolarHBondContact O-N 3.48Å; N184-K187 PolarHBondContact O-N 3.42Å; N184-K187 PolarHBondContact OD1-NZ 3.32Å; N184-A188 WeakPolarHBondContact O-CB 3.47Å; N184-A188 PolarHBondContact O-N 3.46Å; N184-S207 WeakPolarHBondContact CB-O 3.21Å; N184-S207 PolarHBondContact ND2-O 3.01Å; N184-L209 PolarHBondContact ND2-O 3.03Å; N184-F383 HydrophobicContact CB-CD1 4.45Å; N184-F383 HydrophobicContact CB-CE1 3.53Å; N184-F383 HydrophobicContact CB-CZ 3.95Å
185	I	97.6	Very high	96	Very high	13 Å²	13	38.5 Å²	38.5	7%	0.067	19%	0.193	C	C	.	.	H	α-helix	trans	-59.1	-44.6	168.6	-67.5	-62.9	0	0	0	110.4	L150 P151 F181 K182 A188 Q189 V203	L150-I185 HydrophobicContact CD2-CB 4.28Å; L150-I185 HydrophobicContact CD2-CG2 4.33Å; P151-I185 HydrophobicContact CG-CG2 4.18Å; F181-I185 HydrophobicContact CD1-CG1 4.18Å; F181-I185 HydrophobicContact CE1-CD1 4.11Å; F181-I185 HydrophobicContact CE1-CG1 3.87Å; F181-I185 HydrophobicContact CE2-CD1 4.35Å; F181-I185 HydrophobicContact CZ-CD1 3.88Å; F181-I185 HydrophobicContact CZ-CG1 4.14Å; F181-I185 WeakPolarHBondContact O-CG1 3.4Å; F181-I185 PolarHBondContact O-N 3.03Å; K182-I185 WeakPolarHBondContact O-CB 3.31Å; K182-I185 PolarHBondContact O-N 2.88Å; I185-A188 PolarHBondContact O-N 3.06Å; I185-Q189 WeakPolarHBondContact O-CG 3.41Å; I185-Q189 PolarHBondContact O-N 2.81Å; I185-V203 HydrophobicContact CD1-CG2 3.4Å; I185-V203 VanDerWaalsContact CD1-CG2 3.4Å
186	L	96.3	Very high	95.9	Very high	11 Å²	11	37.8 Å²	37.8	6%	0.058	18%	0.184	C	C	.	.	H	α-helix	trans	-65.2	-40.1	177.7	-57.9	177.3	0	0	0	111.3	L143 E144 F148 L150 K182 S183 N184 A188 Q189 L190	L143-L186 HydrophobicContact CB-CB 3.98Å; L143-L186 HydrophobicContact CB-CD1 4.26Å; L143-L186 VanDerWaalsContact CD1-C 3.5Å; L143-L186 HydrophobicContact CD1-CB 3.66Å; L143-L186 HydrophobicContact CG-CB 4.47Å; E144-L186 HydrophobicContact CG-CD1 3.58Å; F148-L186 HydrophobicContact CB-CD2 4Å; L150-L186 HydrophobicContact CD2-CD1 4.37Å; L150-L186 HydrophobicContact CD2-CD2 3.8Å; L150-L186 HydrophobicContact CD2-CG 3.84Å; L150-L186 HydrophobicContact CG-CD2 4.12Å; L150-L186 HydrophobicContact CG-CG 4.44Å; K182-L186 PolarHBondContact O-N 3.42Å; S183-L186 PolarHBondContact O-N 2.84Å; N184-L186 VanDerWaalsContact C-N 3.3Å; N184-L186 PolarHBondContact O-N 3.48Å; L186-A188 PolarHBondContact O-N 3.47Å; L186-Q189 WeakPolarHBondContact O-CB 3.2Å; L186-Q189 PolarHBondContact O-N 2.87Å; L186-L190 PolarHBondContact O-N 2.92Å
187	K	95.6	Very high	95.8	Very high	39 Å²	39	34 Å²	34	17%	0.17	17%	0.17	C	C	.	.	H	α-helix	trans	-61.2	-43.1	173.9	-69.7	179.1	-169.3	165.6	0	112.1	L143 S183 N184 Q189 L190 Y191 T211 F383	L143-K187 HydrophobicContact CD1-CG 4.09Å; S183-K187 PolarHBondContact O-N 3.06Å; S183-K187 VanDerWaalsContact O-N 3.09Å; N184-K187 PolarHBondContact O-N 3.42Å; N184-K187 PolarHBondContact OD1-NZ 3.32Å; K187-Q189 VanDerWaalsContact C-N 3.32Å; K187-Q189 PolarHBondContact O-N 3.16Å; K187-L190 WeakPolarHBondContact O-CB 3.43Å; K187-L190 PolarHBondContact O-N 3.16Å; K187-Y191 PolarHBondContact O-N 2.61Å; K187-T211 PolarHBondContact NZ-OG1 3.01Å; K187-F383 HydrophobicContact CB-CE2 4.05Å; K187-F383 HydrophobicContact CB-CZ 4.33Å; K187-F383 HydrophobicContact CD-CE2 4.36Å; K187-F383 HydrophobicContact CD-CZ 4.26Å
188	A	96.9	Very high	95.7	Very high	4 Å²	4	34.7 Å²	34.7	3%	0.033	18%	0.18	C	C	.	.	H	α-helix	trans	-62	-40.8	176	0	0	0	0	0	111.5	N184 I185 L186 Y191 Q192 F383	N184-A188 WeakPolarHBondContact O-CB 3.47Å; N184-A188 PolarHBondContact O-N 3.46Å; I185-A188 PolarHBondContact O-N 3.06Å; L186-A188 PolarHBondContact O-N 3.47Å; A188-Y191 PolarHBondContact O-N 3.15Å; A188-Q192 WeakPolarHBondContact O-CB 3.24Å; A188-Q192 PolarHBondContact O-N 2.93Å; A188-F383 HydrophobicContact CB-CB 3.91Å; A188-F383 HydrophobicContact CB-CD1 4.49Å; A188-F383 HydrophobicContact CB-CG 4.09Å
189	Q	95.5	Very high	95.7	Very high	58 Å²	58	33 Å²	33	27%	0.271	17%	0.172	S	C	.	.	H	α-helix	trans	-62	-43.3	172.9	-69.7	174.3	-11.4	0	0	111.9	F148 K149 I185 L186 K187 Y191 Q192 V193	F148-Q189 HydrophobicContact CD1-CB 3.68Å; F148-Q189 HydrophobicContact CE1-CB 3.94Å; K149-Q189 PolarHBondContact O-NE2 2.98Å; K149-Q189 VanDerWaalsContact O-NE2 3.09Å; K149-Q189 PolarHBondContact O-OE1 2.88Å; I185-Q189 WeakPolarHBondContact O-CG 3.41Å; I185-Q189 PolarHBondContact O-N 2.81Å; L186-Q189 WeakPolarHBondContact O-CB 3.2Å; L186-Q189 PolarHBondContact O-N 2.87Å; K187-Q189 VanDerWaalsContact C-N 3.32Å; K187-Q189 PolarHBondContact O-N 3.16Å; Q189-Y191 PolarHBondContact O-N 2.91Å; Q189-Q192 WeakPolarHBondContact O-CB 3.4Å; Q189-Q192 PolarHBondContact O-N 3.39Å; Q189-V193 WeakPolarHBondContact O-CG2 3.46Å; Q189-V193 PolarHBondContact O-N 3.22Å
190	L	94.3	Very high	95.8	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-57.8	-49.7	175.2	178.9	76.2	0	0	0	110.9	I94 M139 P140 L143 F148 L186 K187 Q192 V193 F194 F395	I94-L190 HydrophobicContact CD1-CD1 4.44Å; M139-L190 HydrophobicContact SD-CD2 3.96Å; P140-L190 HydrophobicContact CG-CD1 4.36Å; P140-L190 HydrophobicContact CG-CD2 3.92Å; L143-L190 HydrophobicContact CD1-CB 4.45Å; L143-L190 HydrophobicContact CD2-CB 4.03Å; L143-L190 HydrophobicContact CD2-CD1 3.82Å; L143-L190 HydrophobicContact CD2-CD2 3.94Å; L143-L190 HydrophobicContact CD2-CG 4.13Å; F148-L190 HydrophobicContact CE1-CB 4.28Å; F148-L190 HydrophobicContact CE2-CD1 3.78Å; F148-L190 HydrophobicContact CZ-CB 4.08Å; F148-L190 HydrophobicContact CZ-CD1 3.63Å; F148-L190 HydrophobicContact CZ-CG 4.48Å; L186-L190 PolarHBondContact O-N 2.92Å; K187-L190 WeakPolarHBondContact O-CB 3.43Å; K187-L190 PolarHBondContact O-N 3.16Å; L190-Q192 VanDerWaalsContact C-N 3.27Å; L190-Q192 PolarHBondContact O-N 3.17Å; L190-V193 PolarHBondContact O-N 2.64Å; L190-F194 HydrophobicContact CD1-CD2 4.02Å; L190-F194 HydrophobicContact CD1-CE2 3.67Å; L190-F194 HydrophobicContact CG-CD2 4.28Å; L190-F194 HydrophobicContact CG-CE2 4.42Å; L190-F194 VanDerWaalsContact O-CD2 3.26Å; L190-F194 WeakPolarHBondContact O-CD2 3.41Å; L190-F194 PolarHBondContact O-N 2.93Å; L190-F395 HydrophobicContact CD1-CZ 4.44Å; L190-F395 HydrophobicContact CD2-CE1 3.71Å; L190-F395 HydrophobicContact CD2-CZ 3.8Å; L190-F395 HydrophobicContact CG-CE1 4.41Å; L190-F395 HydrophobicContact CG-CZ 4Å
191	Y	95.2	Very high	95.9	Very high	9 Å²	9	32.3 Å²	32.3	4%	0.035	17%	0.167	C	C	.	.	H	α-helix	trans	-60.8	-38.9	177.4	-63.5	-26.5	0	0	0	111.9	M139 K187 A188 Q189 V193 F194 E195 L380 F383 F395	M139-Y191 HydrophobicContact CE-CE1 3.77Å; M139-Y191 WeakPolarHBondContact CE-OH 3.17Å; M139-Y191 HydrophobicContact SD-CE1 4.43Å; K187-Y191 PolarHBondContact O-N 2.61Å; A188-Y191 PolarHBondContact O-N 3.15Å; Q189-Y191 PolarHBondContact O-N 2.91Å; Y191-V193 VanDerWaalsContact C-N 3.34Å; Y191-V193 PolarHBondContact O-N 3.39Å; Y191-F194 CarbonylContact O-C 3.58Å; Y191-F194 PolarHBondContact O-N 2.73Å; Y191-F194 VanDerWaalsContact O-N 3.14Å; Y191-E195 PolarHBondContact O-N 3.37Å; Y191-L380 HydrophobicContact CD2-CB 4.01Å; Y191-L380 HydrophobicContact CE1-CB 4.47Å; Y191-L380 HydrophobicContact CE2-CB 3.71Å; Y191-L380 HydrophobicContact CG-CB 4.48Å; Y191-F383 AromaticContact CD2-CD2 3.66Å; Y191-F383 HydrophobicContact CD2-CD2 3.66Å; Y191-F383 HydrophobicContact CD2-CE2 4.28Å; Y191-F383 AromaticContact CE2-CD2 3.4Å; Y191-F383 HydrophobicContact CE2-CD2 3.4Å; Y191-F383 AromaticContact CE2-CE2 3.61Å; Y191-F383 HydrophobicContact CE2-CE2 3.61Å; Y191-F395 HydrophobicContact CD1-CB 4.26Å; Y191-F395 HydrophobicContact CD1-CD1 4.14Å; Y191-F395 HydrophobicContact CD1-CD2 4.17Å; Y191-F395 AromaticContact CD1-CG 3.92Å; Y191-F395 HydrophobicContact CD1-CG 3.92Å; Y191-F395 HydrophobicContact CE1-CB 3.95Å; Y191-F395 AromaticContact CE1-CD1 3.68Å; Y191-F395 HydrophobicContact CE1-CD1 3.68Å; Y191-F395 HydrophobicContact CE1-CD2 4.46Å; Y191-F395 HydrophobicContact CE1-CE1 4.29Å; Y191-F395 AromaticContact CE1-CG 3.77Å; Y191-F395 HydrophobicContact CE1-CG 3.77Å
192	Q	95.2	Very high	95.8	Very high	68 Å²	68	32.9 Å²	32.9	32%	0.318	17%	0.173	S	C	.	.	H	α-helix	trans	-62.4	-38.8	176.7	-169.6	63.6	73.4	0	0	113	A188 Q189 L190 F194 E195 A199	A188-Q192 WeakPolarHBondContact O-CB 3.24Å; A188-Q192 PolarHBondContact O-N 2.93Å; Q189-Q192 WeakPolarHBondContact O-CB 3.4Å; Q189-Q192 PolarHBondContact O-N 3.39Å; L190-Q192 VanDerWaalsContact C-N 3.27Å; L190-Q192 PolarHBondContact O-N 3.17Å; Q192-F194 PolarHBondContact O-N 2.78Å; Q192-E195 PolarHBondContact O-N 2.65Å; Q192-A199 PolarHBondContact NE2-O 3.43Å; Q192-A199 VanDerWaalsContact NE2-O 3.09Å
193	V	92	Very high	95.9	Very high	52 Å²	52	31.6 Å²	31.6	32%	0.315	17%	0.17	S	C	.	.	H	α-helix	trans	-61.9	-31.6	176.3	167.3	0	0	0	0	111.8	I94 L97 F148 Q189 L190 Y191	I94-V193 WeakPolarHBondContact O-CG1 3.3Å; L97-V193 HydrophobicContact CD1-CG1 4.35Å; F148-V193 HydrophobicContact CE1-CG2 3.84Å; F148-V193 HydrophobicContact CZ-CG2 4.06Å; Q189-V193 WeakPolarHBondContact O-CG2 3.46Å; Q189-V193 PolarHBondContact O-N 3.22Å; L190-V193 PolarHBondContact O-N 2.64Å; Y191-V193 VanDerWaalsContact C-N 3.34Å; Y191-V193 PolarHBondContact O-N 3.39Å
194	F	91.4	Very high	96	Very high	17 Å²	17	28.7 Å²	28.7	8%	0.075	15%	0.15	C	C	.	.	H	α-helix	trans	-104.3	3.2	-175.2	-71.3	-62.3	0	0	0	115.1	F58 I94 L97 L102 L190 Y191 Q192 R196 W392 F395	F58-F194 HydrophobicContact CD2-CZ 4.48Å; F58-F194 HydrophobicContact CE2-CE2 4.02Å; F58-F194 HydrophobicContact CE2-CZ 4.13Å; I94-F194 HydrophobicContact CD1-CE2 3.68Å; I94-F194 HydrophobicContact CD1-CZ 3.52Å; I94-F194 HydrophobicContact CG1-CE2 3.85Å; I94-F194 HydrophobicContact CG1-CZ 3.52Å; L97-F194 HydrophobicContact CD1-CE1 3.94Å; L97-F194 HydrophobicContact CD1-CZ 4.09Å; L102-F194 HydrophobicContact CB-CE1 4.14Å; L102-F194 HydrophobicContact CD1-CD1 4.42Å; L102-F194 HydrophobicContact CD1-CE1 3.28Å; L102-F194 HydrophobicContact CD1-CZ 3.34Å; L102-F194 HydrophobicContact CG-CE1 3.61Å; L102-F194 HydrophobicContact CG-CZ 4.05Å; L190-F194 HydrophobicContact CD1-CD2 4.02Å; L190-F194 HydrophobicContact CD1-CE2 3.67Å; L190-F194 HydrophobicContact CG-CD2 4.28Å; L190-F194 HydrophobicContact CG-CE2 4.42Å; L190-F194 VanDerWaalsContact O-CD2 3.26Å; L190-F194 WeakPolarHBondContact O-CD2 3.41Å; L190-F194 PolarHBondContact O-N 2.93Å; Y191-F194 CarbonylContact O-C 3.58Å; Y191-F194 PolarHBondContact O-N 2.73Å; Y191-F194 VanDerWaalsContact O-N 3.14Å; Q192-F194 PolarHBondContact O-N 2.78Å; F194-R196 PolarHBondContact O-N 2.75Å; F194-W392 HydrophobicContact CB-CB 4.04Å; F194-W392 HydrophobicContact CD1-CD2 4.47Å; F194-W392 HydrophobicContact CD1-CE3 4.08Å; F194-W392 HydrophobicContact CD1-CZ3 4.4Å; F194-W392 HydrophobicContact CE1-CE3 4.45Å; F194-W392 HydrophobicContact CE1-CZ3 4.32Å; F194-W392 HydrophobicContact CG-CE3 4.3Å; F194-F395 HydrophobicContact CB-CD2 4.21Å; F194-F395 HydrophobicContact CB-CE2 3.67Å; F194-F395 AromaticContact CD2-CE2 3.43Å; F194-F395 HydrophobicContact CD2-CE2 3.43Å; F194-F395 VanDerWaalsContact CD2-CE2 3.43Å; F194-F395 AromaticContact CD2-CZ 3.75Å; F194-F395 HydrophobicContact CD2-CZ 3.75Å; F194-F395 HydrophobicContact CE2-CE2 4.3Å; F194-F395 HydrophobicContact CE2-CZ 4.25Å; F194-F395 AromaticContact CG-CE2 3.67Å; F194-F395 HydrophobicContact CG-CE2 3.67Å; F194-F395 HydrophobicContact CG-CZ 4.4Å
195	E	94.2	Very high	96	Very high	24 Å²	24	29.3 Å²	29.3	11%	0.112	15%	0.154	C	C	.	.			trans	-67.9	130.4	174.5	-174.6	46	-101.3	0	0	109.9	Y191 Q192 G197 A199 Y201 H390	Y191-E195 PolarHBondContact O-N 3.37Å; Q192-E195 PolarHBondContact O-N 2.65Å; E195-G197 WeakPolarHBondContact OE1-CA 3.37Å; E195-G197 PolarHBondContact OE1-N 2.92Å; E195-A199 HydrophobicContact CG-CB 4.07Å; E195-Y201 HydrophobicContact CB-CE2 4Å; E195-Y201 HydrophobicContact CG-CE2 3.97Å; E195-Y201 WeakPolarHBondContact OE2-CE2 3.44Å; E195-Y201 VanDerWaalsContact OE2-CZ 3.28Å; E195-Y201 PolarHBondContact OE2-OH 3.05Å; E195-H390 WeakPolarHBondContact OE1-CA 3.39Å; E195-H390 WeakPolarHBondContact OE1-CB 3.45Å; E195-H390 PolarHBondContact OE1-N 2.84Å; E195-H390 PolarHBondContact OE2-N 2.95Å
196	R	93.5	Very high	96	Very high	119 Å²	119	29.4 Å²	29.4	45%	0.449	15%	0.153	S	C	.	.			trans	-102.6	-20.3	179.2	-61.9	177.4	-69	150.7	-4	112.7	F194 H390 P391	F194-R196 PolarHBondContact O-N 2.75Å; R196-H390 HydrophobicContact CB-CB 4.24Å; R196-H390 WeakPolarHBondContact CB-O 3.38Å; R196-H390 PolarHBondContact N-O 3.29Å; R196-H390 PolarHBondContact NE-O 2.74Å; R196-H390 VanDerWaalsContact NE-O 3.11Å; R196-H390 PolarHBondContact NH1-CE1 3.48Å; R196-H390 PolarHBondContact NH1-NE2 2.89Å; R196-H390 PolarHBondContact NH2-CD2 2.78Å; R196-H390 PolarHBondContact NH2-NE2 3.23Å; R196-P391 PolarHBondContact NH2-O 3.29Å
197	G	95.1	Very high	96.1	Very high	20 Å²	20	29 Å²	29	21%	0.206	15%	0.151	C	C	.	.	S	Bend	trans	-92.9	-145.5	175.5	0	0	0	0	0	111.2	E195 I388	E195-G197 WeakPolarHBondContact OE1-CA 3.37Å; E195-G197 PolarHBondContact OE1-N 2.92Å; G197-I388 CarbonylContact C-O 3.53Å; G197-I388 WeakPolarHBondContact CA-O 3.33Å
198	S	96.9	Very high	96.2	Very high	47 Å²	47	27.3 Å²	27.3	33%	0.329	14%	0.144	S	C	.	.	S	Bend	trans	-112	9.9	-176.7	53.9	0	0	0	0	113.6	I388	S198-I388 PolarHBondContact N-O 3.31Å; S198-I388 WeakPolarHBondContact OG-CB 3.49Å; S198-I388 PolarHBondContact OG-N 2.98Å
199	A	98	Very high	96.2	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.144	C	C	.	.			trans	-65.2	141.9	-180	0	0	0	0	0	112.7	Q192 E195 Y201 Y384 H386 I388	Q192-A199 PolarHBondContact NE2-O 3.43Å; Q192-A199 VanDerWaalsContact NE2-O 3.09Å; E195-A199 HydrophobicContact CG-CB 4.07Å; A199-Y201 HydrophobicContact CB-CE2 3.98Å; A199-Y384 HydrophobicContact CB-CD2 4.2Å; A199-Y384 HydrophobicContact CB-CE2 4.1Å; A199-H386 CarbonylContact C-O 3.27Å; A199-H386 VanDerWaalsContact CA-O 3.23Å; A199-H386 WeakPolarHBondContact CA-O 3.39Å; A199-I388 PolarHBondContact N-O 2.9Å
200	I	98.5	Very high	96.2	Very high	62 Å²	62	27 Å²	27	32%	0.318	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	127.3	171.3	-59.3	-57.6	0	0	0	108.6	Q385 H386	I200-Q385 PolarHBondContact O-N 2.82Å; I200-H386 WeakPolarHBondContact CG1-CE1 3.32Å; I200-H386 PolarHBondContact N-O 2.8Å
201	Y	98.2	Very high	96.1	Very high	15 Å²	15	29 Å²	29	6%	0.059	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	144.1	174.8	-57.9	-81.7	0	0	0	110.8	E195 A199 L380 F383 Y384 S389	E195-Y201 HydrophobicContact CB-CE2 4Å; E195-Y201 HydrophobicContact CG-CE2 3.97Å; E195-Y201 WeakPolarHBondContact OE2-CE2 3.44Å; E195-Y201 VanDerWaalsContact OE2-CZ 3.28Å; E195-Y201 PolarHBondContact OE2-OH 3.05Å; A199-Y201 HydrophobicContact CB-CE2 3.98Å; Y201-L380 HydrophobicContact CE1-CD1 3.57Å; Y201-L380 WeakPolarHBondContact OH-CD1 3.03Å; Y201-F383 CarbonylContact C-O 3.59Å; Y201-F383 WeakPolarHBondContact CA-O 3.48Å; Y201-F383 HydrophobicContact CD1-CB 4.37Å; Y201-Y384 HydrophobicContact CE1-CD2 4.47Å; Y201-S389 PolarHBondContact OH-OG 3.05Å
202	G	97.6	Very high	96	Very high	13 Å²	13	33.3 Å²	33.3	13%	0.134	18%	0.181	C	C	.	.			trans	177.4	-146.5	-179.6	0	0	0	0	0	113.5	T204 F383	G202-T204 PolarHBondContact O-N 2.88Å; G202-F383 PolarHBondContact N-O 3.38Å
203	V	98.2	Very high	95.9	Very high	27 Å²	27	32.8 Å²	32.8	16%	0.164	18%	0.179	C	C	.	.			trans	-74	120	-176.8	176	0	0	0	0	110.9	F161 Y165 F181 I185 Q385	F161-V203 HydrophobicContact CB-CG1 3.98Å; F161-V203 HydrophobicContact CD2-CG1 3.66Å; F161-V203 HydrophobicContact CG-CG1 4.23Å; Y165-V203 HydrophobicContact CE2-CG1 4.1Å; Y165-V203 PolarHBondContact OH-O 3.18Å; F181-V203 HydrophobicContact CE2-CG1 3.99Å; F181-V203 HydrophobicContact CE2-CG2 3.88Å; F181-V203 HydrophobicContact CZ-CG1 4.44Å; F181-V203 HydrophobicContact CZ-CG2 3.75Å; I185-V203 HydrophobicContact CD1-CG2 3.4Å; I185-V203 VanDerWaalsContact CD1-CG2 3.4Å; V203-Q385 PolarHBondContact O-NE2 2.95Å
204	T	98.2	Very high	96.1	Very high	3 Å²	3	30.3 Å²	30.3	2%	0.018	16%	0.164	C	C	.	.			trans	-123.6	171.4	178.5	64.3	0	0	0	0	109.9	F161 Y165 G202 Y206 S207 Q382 F383 Y384 Q385	F161-T204 WeakPolarHBondContact CE2-O 3.5Å; Y165-T204 WeakPolarHBondContact CE2-O 3.1Å; G202-T204 PolarHBondContact O-N 2.88Å; T204-Y206 PolarHBondContact O-N 2.96Å; T204-Y206 PolarHBondContact OG1-N 2.91Å; T204-S207 PolarHBondContact N-OG 2.84Å; T204-S207 PolarHBondContact O-N 3.09Å; T204-S207 PolarHBondContact O-OG 3.05Å; T204-S207 VanDerWaalsContact O-OG 3.14Å; T204-S207 PolarHBondContact OG1-OG 2.86Å; T204-Q382 WeakPolarHBondContact CB-O 3.48Å; T204-Q382 VanDerWaalsContact CG2-O 3.3Å; T204-Q382 WeakPolarHBondContact CG2-O 3.45Å; T204-Q382 PolarHBondContact OG1-O 2.83Å; T204-F383 VanDerWaalsContact CG2-C 3.48Å; T204-Y384 WeakPolarHBondContact CG2-O 3.15Å; T204-Q385 HydrophobicContact CG2-CG 4.48Å
205	P	97.9	Very high	96.1	Very high	15 Å²	15	31 Å²	31	10%	0.097	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-13.7	173.3	-22.7	30.5	0	0	0	115.4	Y165 K167 E429 W430	Y165-P205 HydrophobicContact CD1-CB 4.01Å; Y165-P205 HydrophobicContact CD1-CG 3.63Å; Y165-P205 HydrophobicContact CE1-CB 4.31Å; Y165-P205 HydrophobicContact CE1-CG 3.51Å; Y165-P205 HydrophobicContact CG-CB 4.13Å; Y165-P205 HydrophobicContact CG-CG 4.22Å; K167-P205 WeakPolarHBondContact CE-O 3.01Å; K167-P205 PolarHBondContact NZ-O 3.48Å; P205-E429 HydrophobicContact CG-CB 4.07Å; P205-W430 HydrophobicContact CG-CB 4.28Å
206	Y	97.8	Very high	95.8	Very high	15 Å²	15	38.5 Å²	38.5	6%	0.059	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.6	10.2	-172.4	-50.1	-61.8	0	0	0	113.2	T204 D208 L209 F214 H218 Q382 W426 W430	T204-Y206 PolarHBondContact O-N 2.96Å; T204-Y206 PolarHBondContact OG1-N 2.91Å; Y206-D208 PolarHBondContact O-N 2.84Å; Y206-L209 HydrophobicContact CD1-CD1 3.98Å; Y206-L209 PolarHBondContact O-N 3.02Å; Y206-L209 VanDerWaalsContact O-N 3.15Å; Y206-F214 HydrophobicContact CD1-CE2 4.42Å; Y206-F214 AromaticContact CD2-CE2 3.97Å; Y206-F214 HydrophobicContact CD2-CE2 3.97Å; Y206-F214 HydrophobicContact CG-CD2 4.23Å; Y206-F214 AromaticContact CG-CE2 3.83Å; Y206-F214 HydrophobicContact CG-CE2 3.83Å; Y206-H218 AromaticContact CD1-CE1 3.98Å; Y206-H218 AromaticContact CD1-NE2 3.59Å; Y206-H218 AromaticContact CE1-CD2 3.82Å; Y206-H218 AromaticContact CE1-CE1 3.77Å; Y206-H218 AromaticContact CE1-NE2 3.01Å; Y206-H218 WeakPolarHBondContact CE1-NE2 3.46Å; Y206-H218 AromaticContact CZ-CD2 3.86Å; Y206-H218 AromaticContact CZ-NE2 3.46Å; Y206-Q382 PolarHBondContact O-NE2 3.05Å; Y206-W426 HydrophobicContact CD2-CE3 4.46Å; Y206-W426 HydrophobicContact CE2-CB 3.83Å; Y206-W426 HydrophobicContact CE2-CD2 4.24Å; Y206-W426 HydrophobicContact CE2-CE3 4.08Å; Y206-W426 HydrophobicContact CE2-CG 4.14Å; Y206-W426 WeakPolarHBondContact OH-CA 3.33Å; Y206-W426 VanDerWaalsContact OH-CB 3.24Å; Y206-W426 WeakPolarHBondContact OH-CB 3.29Å; Y206-W426 PolarHBondContact OH-O 2.87Å; Y206-W430 AromaticContact CD2-CD1 3.69Å; Y206-W430 HydrophobicContact CD2-CG 4.5Å; Y206-W430 HydrophobicContact CE2-CB 4.12Å; Y206-W430 AromaticContact CE2-CD1 3.59Å; Y206-W430 AromaticContact CE2-CG 3.97Å; Y206-W430 HydrophobicContact CE2-CG 3.97Å
207	S	98	Very high	95.4	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.007	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-11.5	-177.6	-63.1	0	0	0	0	113.4	F181 N184 T204	F181-S207 WeakPolarHBondContact CA-O 3.21Å; N184-S207 WeakPolarHBondContact CB-O 3.21Å; N184-S207 PolarHBondContact ND2-O 3.01Å; T204-S207 PolarHBondContact N-OG 2.84Å; T204-S207 PolarHBondContact O-N 3.09Å; T204-S207 PolarHBondContact O-OG 3.05Å; T204-S207 VanDerWaalsContact O-OG 3.14Å; T204-S207 PolarHBondContact OG1-OG 2.86Å
208	D	97.7	Very high	95.4	Very high	4 Å²	4	32.8 Å²	32.8	2%	0.021	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-0.7	175	62.8	-42.9	0	0	0	114.3	F161 K167 Y169 R177 I180 Y206	F161-D208 HydrophobicContact CE1-CB 3.87Å; F161-D208 HydrophobicContact CZ-CB 3.68Å; K167-D208 VanDerWaalsContact NZ-CG 3.33Å; K167-D208 IonicContact NZ-OD1 3.92Å; K167-D208 PolarHBondContact NZ-OD1 3.44Å; K167-D208 IonicContact NZ-OD2 3.15Å; K167-D208 PolarHBondContact NZ-OD2 3.16Å; Y169-D208 WeakPolarHBondContact OH-CB 3.41Å; Y169-D208 PolarHBondContact OH-OD2 2.81Å; R177-D208 HydrophobicContact CB-CB 4.45Å; R177-D208 WeakPolarHBondContact CD-O 3.45Å; R177-D208 PolarHBondContact NH1-O 2.76Å; I180-D208 VanDerWaalsContact CG2-C 3.48Å; I180-D208 WeakPolarHBondContact CG2-O 3.36Å; Y206-D208 PolarHBondContact O-N 2.84Å
209	L	97.1	Very high	95.1	Very high	9 Å²	9	31.1 Å²	31.1	5%	0.047	16%	0.161	C	C	.	.	S	Bend	trans	-98.9	135.5	-178.1	-57.5	-175.3	0	0	0	111.4	I180 N184 Y206 E213 F214 Q382	I180-L209 VanDerWaalsContact CG2-C 3.45Å; N184-L209 PolarHBondContact ND2-O 3.03Å; Y206-L209 HydrophobicContact CD1-CD1 3.98Å; Y206-L209 PolarHBondContact O-N 3.02Å; Y206-L209 VanDerWaalsContact O-N 3.15Å; L209-E213 HydrophobicContact CB-CB 4.27Å; L209-F214 HydrophobicContact CB-CB 4.26Å; L209-F214 HydrophobicContact CD1-CD2 4.24Å; L209-Q382 PolarHBondContact O-NE2 2.8Å
210	T	95.6	Very high	94	Very high	48 Å²	48	32.2 Å²	32.2	29%	0.294	17%	0.168	S	C	.	.			trans	-62.5	161.9	167	59.9	0	0	0	0	110.4	I180 D212 E213 F214	I180-T210 HydrophobicContact CD1-CG2 3.66Å; I180-T210 HydrophobicContact CG1-CG2 3.86Å; I180-T210 HydrophobicContact CG2-CG2 4.33Å; T210-D212 PolarHBondContact O-N 2.92Å; T210-E213 WeakPolarHBondContact CB-OE2 2.93Å; T210-E213 WeakPolarHBondContact CG2-OE2 3.35Å; T210-E213 PolarHBondContact N-OE2 3.1Å; T210-E213 PolarHBondContact O-N 2.97Å; T210-E213 VanDerWaalsContact OG1-CB 3.3Å; T210-E213 WeakPolarHBondContact OG1-CB 3.25Å; T210-E213 WeakPolarHBondContact OG1-CG 3.08Å; T210-E213 PolarHBondContact OG1-N 3.11Å; T210-E213 VanDerWaalsContact OG1-N 3.1Å; T210-E213 PolarHBondContact OG1-OE2 2.83Å; T210-F214 WeakPolarHBondContact O-CB 3.32Å; T210-F214 PolarHBondContact O-N 2.84Å
211	T	92.5	Very high	92.3	Very high	41 Å²	41	29.5 Å²	29.5	25%	0.252	16%	0.155	S	C	.	.	H	α-helix	trans	-56.5	-40.3	174.5	-68.9	0	0	0	0	111.5	K187 A215 L379	K187-T211 PolarHBondContact NZ-OG1 3.01Å; T211-A215 WeakPolarHBondContact O-CB 3.48Å; T211-A215 PolarHBondContact O-N 3.44Å; T211-L379 HydrophobicContact CG2-CD1 3.82Å; T211-L379 HydrophobicContact CG2-CD2 4.16Å
212	D	92.3	Very high	90.5	Very high	100 Å²	100	32.5 Å²	32.5	54%	0.535	18%	0.179	S	C	.	.	H	α-helix	trans	-72.1	-42	179.5	-70	-7.6	0	0	0	112.6	T210 R216	T210-D212 PolarHBondContact O-N 2.92Å; D212-R216 WeakPolarHBondContact O-CB 2.81Å; D212-R216 VanDerWaalsContact O-CG 3.28Å; D212-R216 WeakPolarHBondContact O-CG 3.18Å; D212-R216 PolarHBondContact O-N 2.66Å
213	E	93.3	Very high	88.6	Confident	57 Å²	57	33.3 Å²	33.3	27%	0.266	18%	0.178	S	C	.	.	H	α-helix	trans	-60.9	-46.9	174.3	-75.5	167.2	133.6	0	0	110.8	R177 L209 T210 T217	R177-E213 IonicContact CZ-OE1 2.84Å; R177-E213 VanDerWaalsContact NH1-CD 3.3Å; R177-E213 IonicContact NH1-OE1 3.82Å; R177-E213 PolarHBondContact NH1-OE1 3.02Å; R177-E213 IonicContact NH1-OE2 2.67Å; R177-E213 PolarHBondContact NH1-OE2 2.92Å; R177-E213 VanDerWaalsContact NH1-OE2 3.08Å; R177-E213 IonicContact NH2-OE1 3.66Å; R177-E213 PolarHBondContact NH2-OE1 3.39Å; R177-E213 VanDerWaalsContact NH2-OE1 3.15Å; L209-E213 HydrophobicContact CB-CB 4.27Å; T210-E213 WeakPolarHBondContact CB-OE2 2.93Å; T210-E213 WeakPolarHBondContact CG2-OE2 3.35Å; T210-E213 PolarHBondContact N-OE2 3.1Å; T210-E213 PolarHBondContact O-N 2.97Å; T210-E213 VanDerWaalsContact OG1-CB 3.3Å; T210-E213 WeakPolarHBondContact OG1-CB 3.25Å; T210-E213 WeakPolarHBondContact OG1-CG 3.08Å; T210-E213 PolarHBondContact OG1-N 3.11Å; T210-E213 VanDerWaalsContact OG1-N 3.1Å; T210-E213 PolarHBondContact OG1-OE2 2.83Å; E213-T217 WeakPolarHBondContact O-CB 3.02Å; E213-T217 PolarHBondContact O-N 3.27Å; E213-T217 PolarHBondContact O-OG1 2.96Å
214	F	95.2	Very high	86.4	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-62.6	-48.5	178.5	-174.2	-108.6	0	0	0	111.3	Y206 L209 T210 R216 T217 H218 L219 L379 Q382 W426	Y206-F214 HydrophobicContact CD1-CE2 4.42Å; Y206-F214 AromaticContact CD2-CE2 3.97Å; Y206-F214 HydrophobicContact CD2-CE2 3.97Å; Y206-F214 HydrophobicContact CG-CD2 4.23Å; Y206-F214 AromaticContact CG-CE2 3.83Å; Y206-F214 HydrophobicContact CG-CE2 3.83Å; L209-F214 HydrophobicContact CB-CB 4.26Å; L209-F214 HydrophobicContact CD1-CD2 4.24Å; T210-F214 WeakPolarHBondContact O-CB 3.32Å; T210-F214 PolarHBondContact O-N 2.84Å; F214-R216 PolarHBondContact O-N 3.01Å; F214-T217 PolarHBondContact O-N 3.02Å; F214-T217 PolarHBondContact O-OG1 2.82Å; F214-H218 HydrophobicContact CD2-CB 3.97Å; F214-H218 AromaticContact CD2-CG 3.79Å; F214-H218 AromaticContact CD2-ND1 3.82Å; F214-H218 HydrophobicContact CE1-CB 4.42Å; F214-H218 HydrophobicContact CE2-CB 3.7Å; F214-H218 AromaticContact CE2-CD2 3.9Å; F214-H218 AromaticContact CE2-CG 3.6Å; F214-H218 HydrophobicContact CG-CB 4.46Å; F214-H218 HydrophobicContact CZ-CB 3.96Å; F214-H218 WeakPolarHBondContact O-CA 3.03Å; F214-H218 VanDerWaalsContact O-CB 3.31Å; F214-H218 WeakPolarHBondContact O-CB 3.43Å; F214-H218 PolarHBondContact O-N 3.43Å; F214-L219 HydrophobicContact CD1-CD1 3.75Å; F214-L219 HydrophobicContact CD1-CG 4.06Å; F214-L219 HydrophobicContact CE1-CD1 3.77Å; F214-L219 HydrophobicContact CE1-CD2 3.9Å; F214-L219 HydrophobicContact CE1-CG 3.9Å; F214-L219 HydrophobicContact CZ-CD2 4.46Å; F214-L379 HydrophobicContact CD1-CD1 4.32Å; F214-Q382 HydrophobicContact CD1-CB 3.83Å; F214-Q382 HydrophobicContact CD1-CG 3.94Å; F214-Q382 HydrophobicContact CD2-CB 4.43Å; F214-Q382 HydrophobicContact CD2-CG 3.85Å; F214-Q382 HydrophobicContact CE1-CB 3.52Å; F214-Q382 HydrophobicContact CE1-CG 4.01Å; F214-Q382 HydrophobicContact CE2-CB 4.17Å; F214-Q382 HydrophobicContact CE2-CG 3.91Å; F214-Q382 HydrophobicContact CG-CB 4.26Å; F214-Q382 HydrophobicContact CG-CG 3.85Å; F214-Q382 HydrophobicContact CZ-CB 3.69Å; F214-Q382 HydrophobicContact CZ-CG 3.97Å; F214-W426 HydrophobicContact CE1-CH2 4.02Å; F214-W426 HydrophobicContact CE1-CZ2 4.41Å; F214-W426 HydrophobicContact CE2-CH2 4.44Å; F214-W426 HydrophobicContact CE2-CZ3 4.44Å; F214-W426 HydrophobicContact CZ-CE3 4.18Å; F214-W426 AromaticContact CZ-CH2 3.41Å; F214-W426 HydrophobicContact CZ-CH2 3.41Å; F214-W426 VanDerWaalsContact CZ-CH2 3.41Å; F214-W426 AromaticContact CZ-CZ2 3.77Å; F214-W426 HydrophobicContact CZ-CZ2 3.77Å; F214-W426 AromaticContact CZ-CZ3 3.63Å; F214-W426 HydrophobicContact CZ-CZ3 3.63Å
215	A	91.9	Very high	84	Confident	31 Å²	31	41.7 Å²	41.7	26%	0.256	23%	0.228	S	C	.	.	H	α-helix	trans	-60.5	-44.9	-179.8	0	0	0	0	0	112.6	T211 T217 L219	T211-A215 WeakPolarHBondContact O-CB 3.48Å; T211-A215 PolarHBondContact O-N 3.44Å; A215-T217 VanDerWaalsContact C-N 3.26Å; A215-T217 PolarHBondContact O-N 3.46Å; A215-L219 HydrophobicContact CB-CB 4.45Å; A215-L219 HydrophobicContact CB-CD1 4.25Å; A215-L219 CarbonylContact O-C 3.56Å; A215-L219 VanDerWaalsContact O-CA 3.31Å; A215-L219 WeakPolarHBondContact O-CA 3.47Å; A215-L219 WeakPolarHBondContact O-CB 3.47Å; A215-L219 PolarHBondContact O-N 3.31Å
216	R	87.8	Confident	81.4	Confident	181 Å²	181	43.4 Å²	43.4	68%	0.683	24%	0.239	S	C	*	.	H	α-helix	trans	-69.1	-20.2	-178.9	-73.3	178.5	-173.4	154.5	7.3	114.7	D212 F214 T220	D212-R216 WeakPolarHBondContact O-CB 2.81Å; D212-R216 VanDerWaalsContact O-CG 3.28Å; D212-R216 WeakPolarHBondContact O-CG 3.18Å; D212-R216 PolarHBondContact O-N 2.66Å; F214-R216 PolarHBondContact O-N 3.01Å; R216-T220 VanDerWaalsContact C-CG2 3.48Å; R216-T220 WeakPolarHBondContact O-CG2 3.47Å
217	T	86.5	Confident	78.5	Confident	19 Å²	19	49 Å²	49	12%	0.117	28%	0.281	C	S	.	.	H	α-helix	trans	-111.3	-26.4	-175	53.9	0	0	0	0	112.7	E213 F214 A215 Q261 M263 C264 G265	E213-T217 WeakPolarHBondContact O-CB 3.02Å; E213-T217 PolarHBondContact O-N 3.27Å; E213-T217 PolarHBondContact O-OG1 2.96Å; F214-T217 PolarHBondContact O-N 3.02Å; F214-T217 PolarHBondContact O-OG1 2.82Å; A215-T217 VanDerWaalsContact C-N 3.26Å; A215-T217 PolarHBondContact O-N 3.46Å; T217-Q261 PolarHBondContact O-NE2 3.09Å; T217-Q261 VanDerWaalsContact O-NE2 3.11Å; T217-M263 HydrophobicContact CG2-CB 4.21Å; T217-M263 HydrophobicContact CG2-CE 3.45Å; T217-M263 VanDerWaalsContact CG2-CE 3.45Å; T217-M263 HydrophobicContact CG2-SD 4.08Å; T217-C264 CarbonylContact O-C 3.54Å; T217-C264 VanDerWaalsContact O-O 3.09Å; T217-G265 PolarHBondContact O-N 3.4Å
218	H	93.6	Very high	75.6	Confident	1 Å²	1	53.3 Å²	53.3	1%	0.005	31%	0.311	C	S	.	.	H	α-helix	trans	-116.1	-22.5	-175.4	-62.9	69.4	0	0	0	113.3	Y206 F214 Q261 H403 W426	Y206-H218 AromaticContact CD1-CE1 3.98Å; Y206-H218 AromaticContact CD1-NE2 3.59Å; Y206-H218 AromaticContact CE1-CD2 3.82Å; Y206-H218 AromaticContact CE1-CE1 3.77Å; Y206-H218 AromaticContact CE1-NE2 3.01Å; Y206-H218 WeakPolarHBondContact CE1-NE2 3.46Å; Y206-H218 AromaticContact CZ-CD2 3.86Å; Y206-H218 AromaticContact CZ-NE2 3.46Å; F214-H218 HydrophobicContact CD2-CB 3.97Å; F214-H218 AromaticContact CD2-CG 3.79Å; F214-H218 AromaticContact CD2-ND1 3.82Å; F214-H218 HydrophobicContact CE1-CB 4.42Å; F214-H218 HydrophobicContact CE2-CB 3.7Å; F214-H218 AromaticContact CE2-CD2 3.9Å; F214-H218 AromaticContact CE2-CG 3.6Å; F214-H218 HydrophobicContact CG-CB 4.46Å; F214-H218 HydrophobicContact CZ-CB 3.96Å; F214-H218 WeakPolarHBondContact O-CA 3.03Å; F214-H218 VanDerWaalsContact O-CB 3.31Å; F214-H218 WeakPolarHBondContact O-CB 3.43Å; F214-H218 PolarHBondContact O-N 3.43Å; H218-Q261 PolarHBondContact O-NE2 2.61Å; H218-H403 PolarHBondContact O-ND1 3.46Å; H218-W426 HydrophobicContact CB-CZ2 4.07Å; H218-W426 AromaticContact CD2-CD1 3.62Å; H218-W426 AromaticContact CD2-NE1 3.62Å
219	L	90.6	Very high	73.2	Confident	11 Å²	11	57 Å²	57	6%	0.058	32%	0.324	C	S	.	.			trans	-128.9	41.5	-168.5	-43.7	177	0	0	0	114	F214 A215 A221 A378 L379 D402 H403 W426	F214-L219 HydrophobicContact CD1-CD1 3.75Å; F214-L219 HydrophobicContact CD1-CG 4.06Å; F214-L219 HydrophobicContact CE1-CD1 3.77Å; F214-L219 HydrophobicContact CE1-CD2 3.9Å; F214-L219 HydrophobicContact CE1-CG 3.9Å; F214-L219 HydrophobicContact CZ-CD2 4.46Å; A215-L219 HydrophobicContact CB-CB 4.45Å; A215-L219 HydrophobicContact CB-CD1 4.25Å; A215-L219 CarbonylContact O-C 3.56Å; A215-L219 VanDerWaalsContact O-CA 3.31Å; A215-L219 WeakPolarHBondContact O-CA 3.47Å; A215-L219 WeakPolarHBondContact O-CB 3.47Å; A215-L219 PolarHBondContact O-N 3.31Å; L219-A221 PolarHBondContact O-N 2.79Å; L219-A378 HydrophobicContact CD2-CB 3.83Å; L219-L379 HydrophobicContact CD1-CB 4.15Å; L219-L379 HydrophobicContact CD1-CD1 3.99Å; L219-D402 CarbonylContact C-O 3.56Å; L219-D402 WeakPolarHBondContact CA-O 3.36Å; L219-D402 HydrophobicContact CB-CB 4Å; L219-H403 HydrophobicContact CD2-CB 3.96Å; L219-W426 HydrophobicContact CD2-CH2 4.08Å; L219-W426 HydrophobicContact CD2-CZ2 3.71Å
220	T	76.1	Confident	70.7	Confident	23 Å²	23	61.6 Å²	61.6	14%	0.141	36%	0.357	C	S	.	.			trans	-89.1	7.6	-174.2	56.5	0	0	0	0	114.7	R216 S222 G265 G307	R216-T220 VanDerWaalsContact C-CG2 3.48Å; R216-T220 WeakPolarHBondContact O-CG2 3.47Å; T220-S222 PolarHBondContact O-N 3.36Å; T220-S222 VanDerWaalsContact O-N 3.11Å; T220-G265 WeakPolarHBondContact OG1-CA 3.37Å; T220-G265 PolarHBondContact OG1-O 3.44Å; T220-G307 WeakPolarHBondContact O-CA 3.45Å
221	A	62.8	Low	68.7	Low	6 Å²	6	64.6 Å²	64.6	5%	0.05	37%	0.372	C	S	.	.			trans	-66.8	119.7	-177.2	0	0	0	0	0	109.8	L219 W223 D402	L219-A221 PolarHBondContact O-N 2.79Å; A221-W223 HydrophobicContact CB-CZ2 4.1Å; A221-W223 PolarHBondContact O-N 3.2Å; A221-D402 PolarHBondContact N-O 3.38Å; A221-D402 VanDerWaalsContact N-O 3.09Å
222	S	59.2	Low	67.2	Low	78 Å²	78	68.6 Å²	68.6	55%	0.545	40%	0.396	S	S	.	.			trans	-90.5	85.9	-174	-158.9	0	0	0	0	109.6	T220 V224 L309	T220-S222 PolarHBondContact O-N 3.36Å; T220-S222 VanDerWaalsContact O-N 3.11Å; S222-V224 PolarHBondContact O-N 3.23Å; S222-V224 VanDerWaalsContact O-N 3.09Å; S222-L309 WeakPolarHBondContact O-CD2 3.38Å
223	W	58.5	Low	66.1	Low	30 Å²	30	67 Å²	67	11%	0.114	39%	0.391	C	S	.	.			trans	-86.2	42.3	-172.8	-61.2	98	0	0	0	114.6	A221 V225 L309 P310 L401 H403 A404 V450	A221-W223 HydrophobicContact CB-CZ2 4.1Å; A221-W223 PolarHBondContact O-N 3.2Å; W223-V225 PolarHBondContact O-N 2.97Å; W223-L309 HydrophobicContact CD2-CD2 3.75Å; W223-L309 HydrophobicContact CE3-CD2 3.24Å; W223-L309 HydrophobicContact CG-CD2 4.36Å; W223-L309 HydrophobicContact CH2-CD2 4.34Å; W223-L309 HydrophobicContact CZ3-CD2 3.57Å; W223-P310 HydrophobicContact CH2-CG 3.98Å; W223-L401 HydrophobicContact CB-CB 3.79Å; W223-L401 HydrophobicContact CB-CD1 4.32Å; W223-L401 HydrophobicContact CB-CG 4.46Å; W223-L401 VanDerWaalsContact CD1-CB 3.41Å; W223-L401 VanDerWaalsContact CD1-O 3.22Å; W223-L401 HydrophobicContact CD2-CB 4.29Å; W223-L401 HydrophobicContact CD2-CD1 4.41Å; W223-L401 HydrophobicContact CG-CB 3.56Å; W223-L401 HydrophobicContact CG-CD1 4.26Å; W223-L401 HydrophobicContact CG-CG 4.48Å; W223-H403 PolarHBondContact NE1-O 2.84Å; W223-A404 HydrophobicContact CH2-CB 4.26Å; W223-A404 HydrophobicContact CZ2-CB 3.66Å; W223-V450 HydrophobicContact CE3-CB 4.08Å; W223-V450 HydrophobicContact CE3-CG1 3.74Å; W223-V450 HydrophobicContact CE3-CG2 4.21Å; W223-V450 HydrophobicContact CH2-CG1 4.35Å; W223-V450 HydrophobicContact CZ3-CB 4.03Å; W223-V450 HydrophobicContact CZ3-CG1 3.39Å
224	V	52.7	Low	65.1	Low	115 Å²	115	67 Å²	67	70%	0.697	40%	0.395	S	S	*	.			trans	-72	89.4	162	-176	0	0	0	0	106.9	S222 P226	S222-V224 PolarHBondContact O-N 3.23Å; S222-V224 VanDerWaalsContact O-N 3.09Å; V224-P226 WeakPolarHBondContact O-CD 3.34Å
225	V	47.8	Very low	63.9	Low	91 Å²	91	69.8 Å²	69.8	55%	0.552	42%	0.415	S	S	*	.			trans	-57	111.9	174.7	-175.5	0	0	0	0	107.2	W223 S227 V450	W223-V225 PolarHBondContact O-N 2.97Å; V225-S227 PolarHBondContact O-N 3.14Å; V225-V450 HydrophobicContact CG2-CG2 3.7Å
226	P	41.6	Very low	62.7	Low	51 Å²	51	70 Å²	70	33%	0.331	41%	0.412	S	S	.	.			trans	-62.4	119.4	178.2	-19.1	32.4	0	0	0	107.5	V224 S228 R229	V224-P226 WeakPolarHBondContact O-CD 3.34Å; P226-S228 PolarHBondContact O-N 3.24Å; P226-R229 PolarHBondContact O-N 2.89Å
227	S	38.2	Very low	61.7	Low	132 Å²	132	63.5 Å²	63.5	92%	0.923	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-14.4	176.8	51.7	0	0	0	0	113.3	V225	V225-S227 PolarHBondContact O-N 3.14Å
228	S	36.3	Very low	60.1	Low	92 Å²	92	72.1 Å²	72.1	64%	0.643	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-10	-177.5	58.9	0	0	0	0	115.7	P226 S230	P226-S228 PolarHBondContact O-N 3.24Å; S228-S230 PolarHBondContact O-N 2.93Å
229	R	48.5	Very low	58.8	Low	80 Å²	80	77 Å²	77	30%	0.302	46%	0.459	S	S	.	.			trans	-79.2	77.1	177	-71.9	-170	178.4	-165.2	-3.9	110.6	P226 N231 S311 N312 E315	P226-R229 PolarHBondContact O-N 2.89Å; R229-N231 PolarHBondContact O-N 2.99Å; R229-S311 PolarHBondContact NH1-O 3.24Å; R229-S311 PolarHBondContact NH1-OG 3.23Å; R229-N312 PolarHBondContact NH2-OD1 3.36Å; R229-E315 IonicContact NH2-OE2 3.05Å
230	S	43.3	Very low	57.7	Low	106 Å²	106	77.7 Å²	77.7	74%	0.741	46%	0.464	S	S	*	.			trans	-66.4	19.4	178.6	72.4	0	0	0	0	115.8	S228 T232	S228-S230 PolarHBondContact O-N 2.93Å; S230-T232 PolarHBondContact O-N 3.31Å
231	N	53.8	Low	57.3	Low	112 Å²	112	83.4 Å²	83.4	60%	0.599	49%	0.493	S	S	*	.			trans	-77	111.9	175.5	-73.3	-10.5	0	0	0	108	R229 P233	R229-N231 PolarHBondContact O-N 2.99Å; N231-P233 WeakPolarHBondContact O-CD 3.46Å; N231-P233 VanDerWaalsContact O-N 3.12Å
232	T	60.4	Low	58	Low	124 Å²	124	89.7 Å²	89.7	76%	0.761	53%	0.526	S	S	*	.			trans	-48.6	120.1	169.4	-53.7	0	0	0	0	108.2	S230 T234	S230-T232 PolarHBondContact O-N 3.31Å; T232-T234 PolarHBondContact O-N 2.79Å
233	P	69.2	Low	59.6	Low	67 Å²	67	88 Å²	88	44%	0.435	51%	0.51	S	S	.	.			trans	-51	132.6	179.6	-31.6	38.2	0	0	0	111	N231 S235 N354 T356	N231-P233 WeakPolarHBondContact O-CD 3.46Å; N231-P233 VanDerWaalsContact O-N 3.12Å; P233-S235 PolarHBondContact O-N 3.11Å; P233-S235 VanDerWaalsContact O-N 3.17Å; P233-N354 WeakPolarHBondContact CA-O 3.37Å; P233-T356 HydrophobicContact CB-CG2 3.9Å
234	T	72.8	Confident	61.3	Low	56 Å²	56	88.9 Å²	88.9	34%	0.344	52%	0.52	S	S	.	.	B	Isolated β-bridge	trans	-70.5	113	-178.8	-59.9	0	0	0	0	108.8	T232 N354 T356 W365	T232-T234 PolarHBondContact O-N 2.79Å; T234-N354 PolarHBondContact N-O 3.05Å; T234-T356 WeakPolarHBondContact O-CG2 3.44Å; T234-W365 HydrophobicContact CG2-CZ3 4.05Å
235	S	70.3	Confident	63.3	Low	60 Å²	60	89.3 Å²	89.3	42%	0.42	51%	0.513	S	S	.	.			trans	-98.5	136.4	171.1	168.4	0	0	0	0	109.7	P233 G237 E361	P233-S235 PolarHBondContact O-N 3.11Å; P233-S235 VanDerWaalsContact O-N 3.17Å; S235-G237 PolarHBondContact O-N 3.16Å; S235-G237 PolarHBondContact OG-N 2.83Å; S235-E361 WeakPolarHBondContact CA-OE2 3.4Å; S235-E361 WeakPolarHBondContact CB-OE2 3.4Å; S235-E361 VanDerWaalsContact OG-CD 3.23Å; S235-E361 PolarHBondContact OG-OE1 3.04Å; S235-E361 PolarHBondContact OG-OE2 3.35Å
236	L	67.1	Low	65.6	Low	36 Å²	36	89.2 Å²	89.2	19%	0.188	51%	0.509	C	S	.	.			trans	-78.3	-3.7	172.4	-67.8	171	0	0	0	112.5	K238 E239 A364 W365	L236-K238 PolarHBondContact O-N 3.35Å; L236-E239 HydrophobicContact CB-CB 4.4Å; L236-E239 PolarHBondContact O-N 3.3Å; L236-A364 HydrophobicContact CD1-CB 3.95Å; L236-W365 HydrophobicContact CD1-CB 3.93Å; L236-W365 HydrophobicContact CD1-CE3 4.16Å; L236-W365 VanDerWaalsContact CD1-N 3.35Å; L236-W365 HydrophobicContact CD2-CE3 4.13Å; L236-W365 HydrophobicContact CD2-CZ3 4.39Å; L236-W365 HydrophobicContact CG-CE3 4.18Å
237	G	66.1	Low	68.3	Low	43 Å²	43	87.8 Å²	87.8	44%	0.443	50%	0.498	S	S	.	.	G	3₁₀ helix	trans	55.6	-107.6	176.2	0	0	0	0	0	113.3	S235 V240	S235-G237 PolarHBondContact O-N 3.16Å; S235-G237 PolarHBondContact OG-N 2.83Å; G237-V240 VanDerWaalsContact O-CG2 3.29Å; G237-V240 WeakPolarHBondContact O-CG2 3.5Å
238	K	54.2	Low	71.2	Confident	201 Å²	201	82 Å²	82	87%	0.874	46%	0.456	S	S	*	.	G	3₁₀ helix	trans	-81.6	-9.9	-171.4	-72.2	-176.3	178.3	178.6	0	115.1	L236 V240	L236-K238 PolarHBondContact O-N 3.35Å; K238-V240 PolarHBondContact O-N 3.35Å
239	E	65	Low	74.1	Confident	104 Å²	104	78.9 Å²	78.9	49%	0.486	43%	0.43	S	S	.	.	G	3₁₀ helix	trans	-75.1	-6.2	-178.8	-65.3	-169.5	161.9	0	0	113.8	L236 N241 H368	L236-E239 HydrophobicContact CB-CB 4.4Å; L236-E239 PolarHBondContact O-N 3.3Å; E239-N241 PolarHBondContact O-N 3.31Å; E239-N241 VanDerWaalsContact O-N 3.16Å; E239-H368 IonicContact OE2-CD2 3.92Å
240	V	68	Low	76.5	Confident	24 Å²	24	79.6 Å²	79.6	15%	0.145	43%	0.433	C	S	.	.	G	3₁₀ helix	trans	-62.1	-26.5	-175.8	-177.4	0	0	0	0	113.6	G237 K238 N242 T360 E361 A364	G237-V240 VanDerWaalsContact O-CG2 3.29Å; G237-V240 WeakPolarHBondContact O-CG2 3.5Å; K238-V240 PolarHBondContact O-N 3.35Å; V240-N242 PolarHBondContact O-N 2.69Å; V240-T360 HydrophobicContact CG1-CG2 3.29Å; V240-E361 HydrophobicContact CG2-CG 3.87Å; V240-A364 HydrophobicContact CG2-CB 4.47Å
241	N	66.6	Low	79.1	Confident	143 Å²	143	81.6 Å²	81.6	77%	0.765	43%	0.431	S	S	*	.	G	3₁₀ helix	trans	-85.3	-7.1	-167.4	-68.9	-26.6	0	0	0	115.7	E239	E239-N241 PolarHBondContact O-N 3.31Å; E239-N241 VanDerWaalsContact O-N 3.16Å
242	N	79.3	Confident	81.1	Confident	139 Å²	139	81.4 Å²	81.4	74%	0.743	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-124.3	43.6	-172.3	-79.7	-14.6	0	0	0	113.2	V240	V240-N242 PolarHBondContact O-N 2.69Å
243	I	90.9	Very high	82.9	Confident	41 Å²	41	77.3 Å²	77.3	21%	0.21	41%	0.407	C	S	.	.			trans	-105.3	144.8	173.4	69.7	177.6	0	0	0	111.6	A363 A364 Y367 Y410	I243-A363 HydrophobicContact CD1-CB 3.63Å; I243-A364 HydrophobicContact CD1-CB 4.44Å; I243-A364 HydrophobicContact CG2-CB 4.15Å; I243-Y367 HydrophobicContact CB-CD1 4.04Å; I243-Y367 HydrophobicContact CB-CG 4.19Å; I243-Y367 HydrophobicContact CG2-CD1 3.47Å; I243-Y367 VanDerWaalsContact CG2-CD1 3.47Å; I243-Y367 HydrophobicContact CG2-CE1 4.29Å; I243-Y367 HydrophobicContact CG2-CG 3.92Å; I243-Y410 HydrophobicContact CD1-CE2 4.46Å
244	P	95	Very high	84.2	Confident	50 Å²	50	74.1 Å²	74.1	33%	0.325	39%	0.386	S	S	.	.			trans	-63.6	159.2	177.8	28.6	-36.4	0	0	0	111.3	N246 F247 Y367 Y410	P244-N246 VanDerWaalsContact C-N 3.26Å; P244-N246 PolarHBondContact O-N 2.04Å; P244-F247 HydrophobicContact CG-CB 4.16Å; P244-F247 HydrophobicContact CG-CD2 4.3Å; P244-Y367 VanDerWaalsContact CD-CE2 3.44Å; P244-Y367 HydrophobicContact CG-CD2 3.88Å; P244-Y367 HydrophobicContact CG-CE2 3.77Å; P244-Y410 VanDerWaalsContact O-CE2 3.31Å; P244-Y410 WeakPolarHBondContact O-CE2 3.23Å
245	K	94.2	Very high	85.4	Confident	123 Å²	123	72.3 Å²	72.3	54%	0.535	38%	0.375	S	S	.	.	S	Bend	trans	-64.9	-30.7	178.4	-175.8	171.5	173.7	175	0	112.9	V412	K245-V412 HydrophobicContact CD-CB 4.38Å; K245-V412 HydrophobicContact CD-CG2 4.39Å; K245-V412 VanDerWaalsContact CE-CG1 3.47Å; K245-V412 HydrophobicContact CG-CB 4.14Å; K245-V412 HydrophobicContact CG-CG2 3.79Å
246	N	97.5	Very high	86.8	Confident	90 Å²	90	69.9 Å²	69.9	48%	0.481	36%	0.358	S	S	.	.			trans	-131.6	140.4	177.3	-53.2	-67.8	0	0	0	109.1	P244 Y410 G411 V412	P244-N246 VanDerWaalsContact C-N 3.26Å; P244-N246 PolarHBondContact O-N 2.04Å; N246-Y410 WeakPolarHBondContact CA-O 3.45Å; N246-G411 WeakPolarHBondContact OD1-CA 3.26Å; N246-V412 PolarHBondContact OD1-N 2.92Å
247	F	98	Very high	88.2	Confident	21 Å²	21	74.2 Å²	74.2	9%	0.092	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	139.8	176.5	-175.8	-99.6	0	0	0	110.6	P244 W249 L366 Y367 G409 Y410	P244-F247 HydrophobicContact CG-CB 4.16Å; P244-F247 HydrophobicContact CG-CD2 4.3Å; F247-W249 AromaticContact CE1-CD1 3.72Å; F247-W249 AromaticContact CE1-CD2 3.84Å; F247-W249 HydrophobicContact CE1-CD2 3.84Å; F247-W249 AromaticContact CE1-CE2 3.5Å; F247-W249 AromaticContact CE1-CG 3.96Å; F247-W249 HydrophobicContact CE1-CG 3.96Å; F247-W249 AromaticContact CE1-CZ2 3.95Å; F247-W249 HydrophobicContact CE1-CZ2 3.95Å; F247-W249 AromaticContact CE1-NE1 3.46Å; F247-W249 AromaticContact CZ-CD2 3.97Å; F247-W249 HydrophobicContact CZ-CD2 3.97Å; F247-W249 AromaticContact CZ-CE2 3.7Å; F247-W249 HydrophobicContact CZ-CE3 4.28Å; F247-W249 HydrophobicContact CZ-CH2 4.1Å; F247-W249 AromaticContact CZ-CZ2 3.74Å; F247-W249 HydrophobicContact CZ-CZ2 3.74Å; F247-W249 HydrophobicContact CZ-CZ3 4.36Å; F247-L366 WeakPolarHBondContact CE1-O 3.49Å; F247-Y367 AromaticContact CD2-CD2 3.53Å; F247-Y367 HydrophobicContact CD2-CD2 3.53Å; F247-Y367 HydrophobicContact CD2-CE2 4Å; F247-Y367 AromaticContact CE2-CD2 3.62Å; F247-Y367 HydrophobicContact CE2-CD2 3.62Å; F247-Y367 AromaticContact CE2-CE2 3.99Å; F247-Y367 HydrophobicContact CE2-CE2 3.99Å; F247-Y367 HydrophobicContact CG-CD2 4Å; F247-Y367 HydrophobicContact CZ-CD2 4.17Å; F247-G409 CarbonylContact O-C 3.12Å; F247-G409 WeakPolarHBondContact O-CA 3.4Å; F247-Y410 HydrophobicContact CB-CD1 4.39Å; F247-Y410 HydrophobicContact CB-CE1 3.76Å; F247-Y410 HydrophobicContact CB-CE2 3.99Å; F247-Y410 HydrophobicContact CD1-CE1 4.29Å; F247-Y410 HydrophobicContact CG-CE1 4.42Å; F247-Y410 PolarHBondContact N-O 3.46Å; F247-Y410 PolarHBondContact O-N 2.76Å; F247-Y410 VanDerWaalsContact O-O 3.12Å
248	D	98.4	Very high	89.8	Confident	9 Å²	9	73 Å²	73	5%	0.048	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	117.1	-176.8	-170.4	-16.1	0	0	0	110.9	R250 E251 I421	D248-R250 VanDerWaalsContact CG-NE 3.33Å; D248-R250 PolarHBondContact O-N 2.85Å; D248-R250 WeakPolarHBondContact OD1-CB 3.22Å; D248-R250 WeakPolarHBondContact OD1-CG 3.23Å; D248-R250 PolarHBondContact OD1-N 3.44Å; D248-R250 IonicContact OD1-NE 3.03Å; D248-R250 PolarHBondContact OD1-NE 3.48Å; D248-R250 IonicContact OD2-CZ 3.14Å; D248-R250 IonicContact OD2-NE 2.83Å; D248-R250 PolarHBondContact OD2-NE 3.3Å; D248-R250 IonicContact OD2-NH2 2.65Å; D248-R250 PolarHBondContact OD2-NH2 2.79Å; D248-E251 HydrophobicContact CB-CG 4Å; D248-E251 PolarHBondContact O-N 3.31Å; D248-I421 HydrophobicContact CB-CD1 4.19Å
249	W	98.5	Very high	91.9	Very high	27 Å²	27	65 Å²	65	10%	0.102	33%	0.326	C	S	.	.	S	Bend	trans	-66.3	-21.2	177.8	-85.4	117.7	0	0	0	113.7	F247 E251 K252 G253 A254 V255 L366 N369 S370 T371 V408	F247-W249 AromaticContact CE1-CD1 3.72Å; F247-W249 AromaticContact CE1-CD2 3.84Å; F247-W249 HydrophobicContact CE1-CD2 3.84Å; F247-W249 AromaticContact CE1-CE2 3.5Å; F247-W249 AromaticContact CE1-CG 3.96Å; F247-W249 HydrophobicContact CE1-CG 3.96Å; F247-W249 AromaticContact CE1-CZ2 3.95Å; F247-W249 HydrophobicContact CE1-CZ2 3.95Å; F247-W249 AromaticContact CE1-NE1 3.46Å; F247-W249 AromaticContact CZ-CD2 3.97Å; F247-W249 HydrophobicContact CZ-CD2 3.97Å; F247-W249 AromaticContact CZ-CE2 3.7Å; F247-W249 HydrophobicContact CZ-CE3 4.28Å; F247-W249 HydrophobicContact CZ-CH2 4.1Å; F247-W249 AromaticContact CZ-CZ2 3.74Å; F247-W249 HydrophobicContact CZ-CZ2 3.74Å; F247-W249 HydrophobicContact CZ-CZ3 4.36Å; W249-E251 VanDerWaalsContact C-N 3.31Å; W249-K252 HydrophobicContact CE3-CB 3.75Å; W249-K252 HydrophobicContact CE3-CG 3.91Å; W249-K252 HydrophobicContact CZ3-CB 4.01Å; W249-K252 HydrophobicContact CZ3-CG 4.11Å; W249-K252 PolarHBondContact O-N 2.91Å; W249-K252 VanDerWaalsContact O-N 3.14Å; W249-G253 PolarHBondContact O-N 3.28Å; W249-A254 HydrophobicContact CB-CB 4.17Å; W249-A254 HydrophobicContact CD2-CB 4.05Å; W249-A254 HydrophobicContact CE3-CB 3.39Å; W249-A254 HydrophobicContact CG-CB 4.4Å; W249-A254 HydrophobicContact CZ3-CB 4.13Å; W249-A254 PolarHBondContact O-N 3.47Å; W249-A254 VanDerWaalsContact O-N 3.08Å; W249-V255 HydrophobicContact CB-CG2 3.72Å; W249-L366 VanDerWaalsContact CE2-O 3.31Å; W249-L366 WeakPolarHBondContact CZ2-O 3.44Å; W249-L366 PolarHBondContact NE1-O 2.8Å; W249-N369 WeakPolarHBondContact CZ2-O 3.27Å; W249-S370 VanDerWaalsContact NE1-CA 3.34Å; W249-T371 HydrophobicContact CB-CG2 4.14Å; W249-T371 HydrophobicContact CG-CG2 4.16Å; W249-V408 WeakPolarHBondContact CB-O 3.35Å; W249-V408 PolarHBondContact N-O 3.01Å
250	R	98.3	Very high	93.4	Very high	95 Å²	95	63.6 Å²	63.6	36%	0.358	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-63.8	-41.1	174.9	-56.3	175.3	-61.2	170.5	6.5	110.6	D248 K252 G253 V255 V408 Y435	D248-R250 VanDerWaalsContact CG-NE 3.33Å; D248-R250 PolarHBondContact O-N 2.85Å; D248-R250 WeakPolarHBondContact OD1-CB 3.22Å; D248-R250 WeakPolarHBondContact OD1-CG 3.23Å; D248-R250 PolarHBondContact OD1-N 3.44Å; D248-R250 IonicContact OD1-NE 3.03Å; D248-R250 PolarHBondContact OD1-NE 3.48Å; D248-R250 IonicContact OD2-CZ 3.14Å; D248-R250 IonicContact OD2-NE 2.83Å; D248-R250 PolarHBondContact OD2-NE 3.3Å; D248-R250 IonicContact OD2-NH2 2.65Å; D248-R250 PolarHBondContact OD2-NH2 2.79Å; R250-K252 PolarHBondContact O-N 2.99Å; R250-K252 VanDerWaalsContact O-N 3.16Å; R250-G253 PolarHBondContact O-N 2.91Å; R250-V255 HydrophobicContact CG-CB 4.06Å; R250-V255 HydrophobicContact CG-CG1 4.34Å; R250-V255 HydrophobicContact CG-CG2 4.02Å; R250-V408 HydrophobicContact CG-CG2 4.27Å; R250-Y435 VanDerWaalsContact CD-CE1 3.43Å; R250-Y435 HydrophobicContact CG-CE1 4.33Å
251	E	97.6	Very high	94.8	Very high	148 Å²	148	62.4 Å²	62.4	69%	0.692	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-66.9	-14.6	176.9	-62.1	-178.1	175.7	0	0	113.1	D248 W249	D248-E251 HydrophobicContact CB-CG 4Å; D248-E251 PolarHBondContact O-N 3.31Å; W249-E251 VanDerWaalsContact C-N 3.31Å
252	K	96.6	Very high	96.1	Very high	108 Å²	108	56.7 Å²	56.7	47%	0.47	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-98.1	-0.2	176	-50.4	-53.7	175	-162.5	0	112.9	W249 R250 A254 F281	W249-K252 HydrophobicContact CE3-CB 3.75Å; W249-K252 HydrophobicContact CE3-CG 3.91Å; W249-K252 HydrophobicContact CZ3-CB 4.01Å; W249-K252 HydrophobicContact CZ3-CG 4.11Å; W249-K252 PolarHBondContact O-N 2.91Å; W249-K252 VanDerWaalsContact O-N 3.14Å; R250-K252 PolarHBondContact O-N 2.99Å; R250-K252 VanDerWaalsContact O-N 3.16Å; K252-A254 VanDerWaalsContact C-N 3.29Å; K252-F281 WeakPolarHBondContact O-CZ 3.31Å
253	G	96.4	Very high	96.7	Very high	38 Å²	38	55.8 Å²	55.8	39%	0.392	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	70	24.5	-175.9	0	0	0	0	0	113.6	W249 R250 F281 L287	W249-G253 PolarHBondContact O-N 3.28Å; R250-G253 PolarHBondContact O-N 2.91Å; G253-F281 WeakPolarHBondContact O-CE2 3.47Å; G253-L287 WeakPolarHBondContact O-CD2 3.41Å
254	A	97.5	Very high	96.9	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.273	C	S	.	.			trans	-100.3	12.4	-175.9	0	0	0	0	0	113.8	W249 K252 S278 F281	W249-A254 HydrophobicContact CB-CB 4.17Å; W249-A254 HydrophobicContact CD2-CB 4.05Å; W249-A254 HydrophobicContact CE3-CB 3.39Å; W249-A254 HydrophobicContact CG-CB 4.4Å; W249-A254 HydrophobicContact CZ3-CB 4.13Å; W249-A254 PolarHBondContact O-N 3.47Å; W249-A254 VanDerWaalsContact O-N 3.08Å; K252-A254 VanDerWaalsContact C-N 3.29Å; A254-S278 WeakPolarHBondContact O-CA 3.47Å; A254-S278 VanDerWaalsContact O-CB 3.22Å; A254-S278 WeakPolarHBondContact O-CB 3.47Å; A254-S278 PolarHBondContact O-OG 3.41Å; A254-F281 HydrophobicContact CB-CB 4.47Å; A254-F281 HydrophobicContact CB-CD1 3.24Å; A254-F281 HydrophobicContact CB-CE1 3.57Å; A254-F281 HydrophobicContact CB-CG 3.95Å; A254-F281 HydrophobicContact CB-CZ 4.49Å
255	V	98.5	Very high	96.8	Very high	19 Å²	19	51.6 Å²	51.6	12%	0.115	26%	0.258	C	S	.	.	S	Bend	trans	-137	125.3	-175.9	-174.7	0	0	0	0	108.6	W249 R250 T371 V408 K423	W249-V255 HydrophobicContact CB-CG2 3.72Å; R250-V255 HydrophobicContact CG-CB 4.06Å; R250-V255 HydrophobicContact CG-CG1 4.34Å; R250-V255 HydrophobicContact CG-CG2 4.02Å; V255-T371 HydrophobicContact CG2-CG2 4.14Å; V255-V408 HydrophobicContact CG1-CG1 4.12Å; V255-V408 HydrophobicContact CG2-CB 4.16Å; V255-V408 HydrophobicContact CG2-CG1 3.98Å; V255-K423 HydrophobicContact CG1-CD 3.68Å
256	T	98.5	Very high	96.9	Very high	9 Å²	9	45.7 Å²	45.7	6%	0.055	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-68.5	171	176.5	51.9	0	0	0	0	112.3	E277 L287 L288 K423	T256-E277 WeakPolarHBondContact CB-OE2 3.37Å; T256-E277 HydrophobicContact CG2-CB 4.48Å; T256-E277 HydrophobicContact CG2-CG 4.36Å; T256-E277 WeakPolarHBondContact CG2-OE2 3.1Å; T256-E277 PolarHBondContact OG1-OE2 2.96Å; T256-L287 HydrophobicContact CG2-CD1 4.04Å; T256-L287 HydrophobicContact CG2-CD2 4Å; T256-L287 HydrophobicContact CG2-CG 3.88Å; T256-L288 WeakPolarHBondContact CG2-O 3.3Å; T256-K423 PolarHBondContact O-NZ 3.28Å; T256-K423 PolarHBondContact OG1-NZ 2.97Å
257	E	98.1	Very high	96.8	Very high	127 Å²	127	41.4 Å²	41.4	59%	0.593	21%	0.21	S	C	*	.	P	Polyproline II helix	trans	-56	157.4	171	59.4	-81.7	167.7	0	0	113.5	K259 K423	E257-K259 PolarHBondContact O-N 3.27Å; E257-K423 VanDerWaalsContact O-CE 3.28Å; E257-K423 WeakPolarHBondContact O-CE 3.35Å; E257-K423 PolarHBondContact O-NZ 3.49Å
258	V	98.6	Very high	96.7	Very high	18 Å²	18	40.4 Å²	40.4	11%	0.109	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-71.5	126.5	172.5	170.4	0	0	0	0	109.2	K423 V428 Y435	V258-K423 HydrophobicContact CG2-CG 4.25Å; V258-V428 HydrophobicContact CB-CG1 3.93Å; V258-V428 HydrophobicContact CG1-CG1 4.32Å; V258-Y435 HydrophobicContact CG2-CD2 3.97Å; V258-Y435 HydrophobicContact CG2-CE2 3.37Å
259	K	98.2	Very high	96.7	Very high	32 Å²	32	40 Å²	40	14%	0.139	20%	0.203	C	C	.	.			trans	-100.2	-178.9	173.2	-59	-175.9	-177.2	-179.7	0	111.4	E257 F270 S289 L290 E292 E326 S425 G427	E257-K259 PolarHBondContact O-N 3.27Å; K259-F270 HydrophobicContact CB-CD1 3.96Å; K259-F270 HydrophobicContact CB-CE1 3.53Å; K259-F270 HydrophobicContact CD-CD1 4.33Å; K259-F270 HydrophobicContact CD-CE1 3.93Å; K259-F270 HydrophobicContact CG-CE1 4.4Å; K259-S289 VanDerWaalsContact CE-OG 3.22Å; K259-S289 WeakPolarHBondContact CE-OG 3.42Å; K259-S289 PolarHBondContact NZ-OG 3.04Å; K259-L290 PolarHBondContact NZ-O 2.84Å; K259-E292 WeakPolarHBondContact CD-OE2 3.43Å; K259-E292 VanDerWaalsContact NZ-CD 3.27Å; K259-E292 IonicContact NZ-OE1 3.07Å; K259-E292 PolarHBondContact NZ-OE1 2.78Å; K259-E292 IonicContact NZ-OE2 2.69Å; K259-E292 PolarHBondContact NZ-OE2 3.38Å; K259-E326 IonicContact NZ-OE2 2.85Å; K259-E326 PolarHBondContact NZ-OE2 2.78Å; K259-S425 CarbonylContact O-C 3.57Å; K259-G427 WeakPolarHBondContact O-CA 3.44Å; K259-G427 PolarHBondContact O-N 2.96Å
260	N	97.5	Very high	96.7	Very high	74 Å²	74	39.6 Å²	39.6	40%	0.396	20%	0.202	S	C	.	.	B	Isolated β-bridge	trans	-134.7	119	-179.3	-166.5	-20.3	0	0	0	111	G262 Y331 S425	N260-G262 PolarHBondContact O-N 2.76Å; N260-G262 PolarHBondContact OD1-N 2.57Å; N260-Y331 WeakPolarHBondContact O-CE1 3.37Å; N260-S425 CarbonylContact C-O 3.44Å; N260-S425 WeakPolarHBondContact CA-O 3.43Å
261	Q	96.7	Very high	96.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.186	C	C	.	.			trans	-70	-13.9	176	74.1	-175.2	85.5	0	0	113.1	T217 H218 C264 F270 Y331 S425 W426	T217-Q261 PolarHBondContact O-NE2 3.09Å; T217-Q261 VanDerWaalsContact O-NE2 3.11Å; H218-Q261 PolarHBondContact O-NE2 2.61Å; Q261-C264 PolarHBondContact NE2-O 3.17Å; Q261-C264 WeakPolarHBondContact O-CB 3.21Å; Q261-C264 PolarHBondContact O-N 2.55Å; Q261-F270 HydrophobicContact CB-CD2 3.83Å; Q261-F270 HydrophobicContact CB-CE2 3.44Å; Q261-F270 VanDerWaalsContact CB-CE2 3.44Å; Q261-F270 HydrophobicContact CB-CZ 4.11Å; Q261-Y331 PolarHBondContact O-OH 2.84Å; Q261-S425 WeakPolarHBondContact CG-O 3.5Å; Q261-S425 PolarHBondContact N-O 2.05Å; Q261-S425 PolarHBondContact OE1-OG 2.84Å; Q261-W426 VanDerWaalsContact OE1-CD1 3.23Å
262	G	94.4	Very high	96.7	Very high	23 Å²	23	28.2 Å²	28.2	24%	0.237	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	-138.8	-179.2	0	0	0	0	0	112.4	N260 C264	N260-G262 PolarHBondContact O-N 2.76Å; N260-G262 PolarHBondContact OD1-N 2.57Å; G262-C264 PolarHBondContact O-N 3.11Å
263	M	92.2	Very high	96.8	Very high	120 Å²	120	23 Å²	23	59%	0.591	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.3	31.8	-178.9	-63	-61.7	-76.3	0	0	112.6	T217	T217-M263 HydrophobicContact CG2-CB 4.21Å; T217-M263 HydrophobicContact CG2-CE 3.45Å; T217-M263 VanDerWaalsContact CG2-CE 3.45Å; T217-M263 HydrophobicContact CG2-SD 4.08Å
264	C	94.1	Very high	96.9	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.007	12%	0.115	C	C	.	.	S	Bend	trans	-123.9	125	-179.6	171.8	0	0	0	0	109.8	T217 Q261 G262 S266 C305 Y331 A333	T217-C264 CarbonylContact O-C 3.54Å; T217-C264 VanDerWaalsContact O-O 3.09Å; Q261-C264 PolarHBondContact NE2-O 3.17Å; Q261-C264 WeakPolarHBondContact O-CB 3.21Å; Q261-C264 PolarHBondContact O-N 2.55Å; G262-C264 PolarHBondContact O-N 3.11Å; C264-S266 PolarHBondContact O-N 2.92Å; C264-S266 PolarHBondContact O-OG 2.74Å; C264-S266 VanDerWaalsContact SG-CB 3.52Å; C264-S266 PolarHBondContact SG-OG 3.11Å; C264-S266 VanDerWaalsContact SG-OG 3.35Å; C264-C305 HydrophobicContact CB-CB 3.94Å; C264-C305 WeakPolarHBondContact CB-SG 3.38Å; C264-C305 WeakPolarHBondContact SG-CA 2.87Å; C264-C305 WeakPolarHBondContact SG-CB 3.26Å; C264-C305 CovalentContact SG-SG 2.04Å; C264-C305 PolarHBondContact SG-SG 3.49Å; C264-Y331 WeakPolarHBondContact CB-OH 3.35Å; C264-Y331 PolarHBondContact SG-OH 2.81Å; C264-A333 HydrophobicContact CB-CB 3.86Å; C264-A333 WeakPolarHBondContact CB-O 3.3Å
265	G	92.8	Very high	96.9	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.01	12%	0.115	C	C	.	.	B	Isolated β-bridge	trans	-73	64.6	176.8	0	0	0	0	0	113.2	T217 T220 C305 G307	T217-G265 PolarHBondContact O-N 3.4Å; T220-G265 WeakPolarHBondContact OG1-CA 3.37Å; T220-G265 PolarHBondContact OG1-O 3.44Å; G265-C305 CarbonylContact C-O 3.47Å; G265-C305 WeakPolarHBondContact CA-O 3.39Å; G265-C305 PolarHBondContact N-O 3.1Å; G265-C305 CarbonylContact O-C 2.98Å; G265-G307 PolarHBondContact O-N 3.12Å
266	S	95.7	Very high	97	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.11	C	C	.	.			trans	-121.4	18.3	-173.1	56.1	0	0	0	0	112.8	C264 W268 A269 F270 Y331	C264-S266 PolarHBondContact O-N 2.92Å; C264-S266 PolarHBondContact O-OG 2.74Å; C264-S266 VanDerWaalsContact SG-CB 3.52Å; C264-S266 PolarHBondContact SG-OG 3.11Å; C264-S266 VanDerWaalsContact SG-OG 3.35Å; S266-W268 PolarHBondContact O-N 3.18Å; S266-A269 WeakPolarHBondContact O-CA 3.28Å; S266-A269 VanDerWaalsContact O-CB 3.3Å; S266-A269 WeakPolarHBondContact O-CB 3.24Å; S266-A269 PolarHBondContact O-N 3Å; S266-F270 WeakPolarHBondContact O-CD2 3.4Å; S266-F270 PolarHBondContact O-N 2.97Å; S266-Y331 PolarHBondContact OG-OH 3.04Å
267	C	96.5	Very high	97	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-48.9	-34.3	177	52.6	0	0	0	0	113.4	A269 F270 S271 H403 A404	C267-A269 VanDerWaalsContact C-N 3.32Å; C267-A269 PolarHBondContact O-N 3.34Å; C267-F270 PolarHBondContact O-N 3.15Å; C267-S271 WeakPolarHBondContact O-CB 3.47Å; C267-S271 PolarHBondContact O-N 3.43Å; C267-H403 WeakPolarHBondContact CB-CE1 3.39Å; C267-H403 WeakPolarHBondContact CB-ND1 3.4Å; C267-H403 PolarHBondContact SG-ND1 2.78Å; C267-H403 VanDerWaalsContact SG-ND1 3.44Å; C267-A404 HydrophobicContact CB-CB 4.45Å
268	W	95.9	Very high	97	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-58.2	-40.5	173.6	65	-91.4	0	0	0	112.7	S266 T272 L295 D299 D302 G304 G308 P310 A313 A404	S266-W268 PolarHBondContact O-N 3.18Å; W268-T272 VanDerWaalsContact O-CB 3.31Å; W268-T272 WeakPolarHBondContact O-CB 3.06Å; W268-T272 PolarHBondContact O-N 3.02Å; W268-T272 PolarHBondContact O-OG1 3.19Å; W268-L295 HydrophobicContact CH2-CB 3.89Å; W268-L295 HydrophobicContact CZ3-CB 3.89Å; W268-L295 HydrophobicContact CZ3-CD1 4.42Å; W268-D299 HydrophobicContact CH2-CB 3.85Å; W268-D299 HydrophobicContact CZ3-CB 4.33Å; W268-D302 HydrophobicContact CH2-CB 3.99Å; W268-D302 HydrophobicContact CZ2-CB 4.02Å; W268-D302 HydrophobicContact CZ3-CB 4.32Å; W268-G304 PolarHBondContact NE1-O 3.47Å; W268-G308 WeakPolarHBondContact CB-O 3.41Å; W268-P310 HydrophobicContact CB-CG 4.45Å; W268-A313 HydrophobicContact CE3-CB 3.85Å; W268-A313 HydrophobicContact CZ3-CB 3.7Å; W268-A404 HydrophobicContact CB-CB 4.35Å
269	A	97.5	Very high	97	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-66.5	-47.3	177	0	0	0	0	0	110.5	S266 C267 S271 T272 T273 E292 L295 V296	S266-A269 WeakPolarHBondContact O-CA 3.28Å; S266-A269 VanDerWaalsContact O-CB 3.3Å; S266-A269 WeakPolarHBondContact O-CB 3.24Å; S266-A269 PolarHBondContact O-N 3Å; C267-A269 VanDerWaalsContact C-N 3.32Å; C267-A269 PolarHBondContact O-N 3.34Å; A269-S271 PolarHBondContact O-N 2.89Å; A269-T272 WeakPolarHBondContact O-CB 3.21Å; A269-T272 PolarHBondContact O-N 2.86Å; A269-T272 VanDerWaalsContact O-N 3.15Å; A269-T273 WeakPolarHBondContact O-CG2 2.88Å; A269-T273 PolarHBondContact O-N 2.75Å; A269-T273 PolarHBondContact O-OG1 3.31Å; A269-T273 VanDerWaalsContact O-OG1 3.08Å; A269-E292 HydrophobicContact CB-CB 4.09Å; A269-E292 HydrophobicContact CB-CG 4.34Å; A269-L295 HydrophobicContact CB-CB 3.9Å; A269-L295 HydrophobicContact CB-CD1 3.96Å; A269-V296 HydrophobicContact CB-CG2 4.43Å
270	F	98.4	Very high	97	Very high	19 Å²	19	13.3 Å²	13.3	8%	0.083	7%	0.073	C	C	.	.	H	α-helix	trans	-62.1	-40.8	177.9	-74.2	-87.6	0	0	0	113.4	K259 Q261 S266 C267 T272 T273 G274 E292 Y331	K259-F270 HydrophobicContact CB-CD1 3.96Å; K259-F270 HydrophobicContact CB-CE1 3.53Å; K259-F270 HydrophobicContact CD-CD1 4.33Å; K259-F270 HydrophobicContact CD-CE1 3.93Å; K259-F270 HydrophobicContact CG-CE1 4.4Å; Q261-F270 HydrophobicContact CB-CD2 3.83Å; Q261-F270 HydrophobicContact CB-CE2 3.44Å; Q261-F270 VanDerWaalsContact CB-CE2 3.44Å; Q261-F270 HydrophobicContact CB-CZ 4.11Å; S266-F270 WeakPolarHBondContact O-CD2 3.4Å; S266-F270 PolarHBondContact O-N 2.97Å; C267-F270 PolarHBondContact O-N 3.15Å; F270-T272 VanDerWaalsContact C-N 3.32Å; F270-T273 WeakPolarHBondContact CA-OG1 3.35Å; F270-T273 PolarHBondContact O-OG1 3.17Å; F270-G274 PolarHBondContact O-N 2.83Å; F270-E292 HydrophobicContact CB-CG 4.3Å; F270-E292 HydrophobicContact CD1-CG 3.58Å; F270-E292 HydrophobicContact CD2-CB 4.4Å; F270-E292 HydrophobicContact CD2-CG 3.98Å; F270-E292 HydrophobicContact CE1-CB 4.29Å; F270-E292 HydrophobicContact CE1-CG 3.71Å; F270-E292 HydrophobicContact CE2-CB 4.13Å; F270-E292 HydrophobicContact CE2-CG 4.09Å; F270-E292 HydrophobicContact CG-CG 3.71Å; F270-E292 HydrophobicContact CZ-CB 4.08Å; F270-E292 HydrophobicContact CZ-CG 3.97Å; F270-Y331 HydrophobicContact CE2-CD2 4.4Å; F270-Y331 HydrophobicContact CE2-CE1 4.14Å; F270-Y331 AromaticContact CE2-CE2 3.75Å; F270-Y331 HydrophobicContact CE2-CE2 3.75Å; F270-Y331 AromaticContact CE2-CZ 3.61Å; F270-Y331 HydrophobicContact CZ-CD1 4Å; F270-Y331 HydrophobicContact CZ-CD2 4.03Å; F270-Y331 AromaticContact CZ-CE1 3.77Å; F270-Y331 HydrophobicContact CZ-CE1 3.77Å; F270-Y331 AromaticContact CZ-CE2 3.8Å; F270-Y331 HydrophobicContact CZ-CE2 3.8Å; F270-Y331 HydrophobicContact CZ-CG 4.12Å; F270-Y331 AromaticContact CZ-CZ 3.67Å
271	S	98.1	Very high	97	Very high	3 Å²	3	12 Å²	12	2%	0.021	6%	0.064	C	C	.	.	H	α-helix	trans	-67.3	-37.4	175.6	-176.6	0	0	0	0	111.2	C267 A269 N275 S373 V405	C267-S271 WeakPolarHBondContact O-CB 3.47Å; C267-S271 PolarHBondContact O-N 3.43Å; A269-S271 PolarHBondContact O-N 2.89Å; S271-N275 WeakPolarHBondContact O-CB 3.03Å; S271-N275 PolarHBondContact O-N 2.01Å; S271-S373 WeakPolarHBondContact OG-CA 3.4Å; S271-S373 VanDerWaalsContact OG-CB 3.29Å; S271-S373 WeakPolarHBondContact OG-CB 3.47Å; S271-S373 PolarHBondContact OG-OG 3.49Å; S271-V405 VanDerWaalsContact OG-C 3.3Å; S271-V405 PolarHBondContact OG-O 3.5Å
272	T	98.1	Very high	96.9	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-66.7	-56.1	176.7	-58	0	0	0	0	111.7	W268 A269 F270 G274 N275 V276 L295 P310 A313 Y314 I317	W268-T272 VanDerWaalsContact O-CB 3.31Å; W268-T272 WeakPolarHBondContact O-CB 3.06Å; W268-T272 PolarHBondContact O-N 3.02Å; W268-T272 PolarHBondContact O-OG1 3.19Å; A269-T272 WeakPolarHBondContact O-CB 3.21Å; A269-T272 PolarHBondContact O-N 2.86Å; A269-T272 VanDerWaalsContact O-N 3.15Å; F270-T272 VanDerWaalsContact C-N 3.32Å; T272-G274 VanDerWaalsContact C-N 3.34Å; T272-G274 PolarHBondContact O-N 2.54Å; T272-N275 WeakPolarHBondContact O-CB 3.38Å; T272-N275 PolarHBondContact O-N 2.91Å; T272-N275 VanDerWaalsContact O-N 3.14Å; T272-V276 WeakPolarHBondContact O-CG2 3.44Å; T272-V276 PolarHBondContact O-N 3.22Å; T272-L295 HydrophobicContact CG2-CD1 3.95Å; T272-P310 WeakPolarHBondContact OG1-CA 3.01Å; T272-P310 WeakPolarHBondContact OG1-CB 3.08Å; T272-A313 HydrophobicContact CG2-CB 3.6Å; T272-Y314 HydrophobicContact CG2-CD1 3.72Å; T272-Y314 HydrophobicContact CG2-CE1 3.5Å; T272-I317 HydrophobicContact CG2-CD1 3.68Å
273	T	98.7	Very high	97	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-56.8	-50	180	51.3	0	0	0	0	109.7	A269 F270 N275 V276 E277 L290 E292 L295 L323	A269-T273 WeakPolarHBondContact O-CG2 2.88Å; A269-T273 PolarHBondContact O-N 2.75Å; A269-T273 PolarHBondContact O-OG1 3.31Å; A269-T273 VanDerWaalsContact O-OG1 3.08Å; F270-T273 WeakPolarHBondContact CA-OG1 3.35Å; F270-T273 PolarHBondContact O-OG1 3.17Å; T273-N275 PolarHBondContact O-N 2.9Å; T273-V276 CarbonylContact O-C 3.17Å; T273-V276 WeakPolarHBondContact O-CA 3.31Å; T273-V276 PolarHBondContact O-N 2.75Å; T273-E277 WeakPolarHBondContact O-CG 3.09Å; T273-E277 PolarHBondContact O-N 2.94Å; T273-L290 HydrophobicContact CG2-CB 4.18Å; T273-E292 WeakPolarHBondContact CB-OE1 3.21Å; T273-E292 HydrophobicContact CG2-CG 3.82Å; T273-E292 WeakPolarHBondContact OG1-CG 3.48Å; T273-E292 PolarHBondContact OG1-OE1 2.92Å; T273-L295 HydrophobicContact CG2-CD1 3.82Å; T273-L323 HydrophobicContact CG2-CD1 4.29Å
274	G	98.7	Very high	97.2	Very high	6 Å²	6	17.1 Å²	17.1	6%	0.062	8%	0.079	C	C	.	.	H	α-helix	trans	-56.3	-36	178.4	0	0	0	0	0	114	F270 T272 S278	F270-G274 PolarHBondContact O-N 2.83Å; T272-G274 VanDerWaalsContact C-N 3.34Å; T272-G274 PolarHBondContact O-N 2.54Å; G274-S278 PolarHBondContact O-N 3.4Å
275	N	98.7	Very high	97.4	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-69.1	-44.8	172.7	172.4	-99	0	0	0	112.3	S271 T272 T273 S278 Q279 Y314 T371 L406 S453 A454	S271-N275 WeakPolarHBondContact O-CB 3.03Å; S271-N275 PolarHBondContact O-N 2.01Å; T272-N275 WeakPolarHBondContact O-CB 3.38Å; T272-N275 PolarHBondContact O-N 2.91Å; T272-N275 VanDerWaalsContact O-N 3.14Å; T273-N275 PolarHBondContact O-N 2.9Å; N275-S278 PolarHBondContact O-N 3.23Å; N275-Q279 WeakPolarHBondContact O-CB 3.39Å; N275-Q279 WeakPolarHBondContact O-CG 3.43Å; N275-Q279 PolarHBondContact O-N 3.14Å; N275-Y314 WeakPolarHBondContact CB-OH 3.28Å; N275-Y314 VanDerWaalsContact CG-OH 3.25Å; N275-Y314 PolarHBondContact OD1-OH 3.4Å; N275-T371 PolarHBondContact ND2-O 3.07Å; N275-L406 HydrophobicContact CB-CD1 3.79Å; N275-S453 PolarHBondContact ND2-OG 2.85Å; N275-S453 VanDerWaalsContact ND2-OG 3.09Å; N275-A454 WeakPolarHBondContact OD1-CB 3.46Å; N275-A454 PolarHBondContact OD1-N 2.93Å
276	V	98.8	Very high	97.6	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-63.9	-42.4	178.4	177.8	0	0	0	0	111.3	T272 T273 S278 Q279 W280 L290 Y314 I317 L323 V347 I349 A454	T272-V276 WeakPolarHBondContact O-CG2 3.44Å; T272-V276 PolarHBondContact O-N 3.22Å; T273-V276 CarbonylContact O-C 3.17Å; T273-V276 WeakPolarHBondContact O-CA 3.31Å; T273-V276 PolarHBondContact O-N 2.75Å; V276-S278 VanDerWaalsContact C-N 3.31Å; V276-S278 PolarHBondContact O-N 2.83Å; V276-Q279 PolarHBondContact O-N 2.61Å; V276-W280 VanDerWaalsContact O-CB 3.24Å; V276-W280 WeakPolarHBondContact O-CB 3.41Å; V276-W280 PolarHBondContact O-N 3.36Å; V276-L290 HydrophobicContact CB-CD1 3.93Å; V276-L290 HydrophobicContact CG1-CD1 3.66Å; V276-Y314 HydrophobicContact CG2-CD1 4.28Å; V276-Y314 HydrophobicContact CG2-CE1 3.97Å; V276-I317 HydrophobicContact CG2-CD1 4.15Å; V276-L323 HydrophobicContact CG1-CD1 4.35Å; V276-V347 HydrophobicContact CG1-CG2 4.04Å; V276-I349 HydrophobicContact CB-CG2 4.41Å; V276-I349 HydrophobicContact CG1-CG2 3.67Å; V276-I349 HydrophobicContact CG2-CG2 3.9Å; V276-A454 HydrophobicContact CG2-CB 4.04Å
277	E	98.8	Very high	97.7	Very high	3 Å²	3	29.1 Å²	29.1	1%	0.014	15%	0.148	C	C	.	.	H	α-helix	trans	-54	-48.9	174.8	-69.6	174.6	167.3	0	0	111.3	T256 T273 W280 F281 L287 L288 S289 L290	T256-E277 WeakPolarHBondContact CB-OE2 3.37Å; T256-E277 HydrophobicContact CG2-CB 4.48Å; T256-E277 HydrophobicContact CG2-CG 4.36Å; T256-E277 WeakPolarHBondContact CG2-OE2 3.1Å; T256-E277 PolarHBondContact OG1-OE2 2.96Å; T273-E277 WeakPolarHBondContact O-CG 3.09Å; T273-E277 PolarHBondContact O-N 2.94Å; E277-W280 PolarHBondContact O-N 3.09Å; E277-F281 WeakPolarHBondContact O-CB 3.27Å; E277-F281 PolarHBondContact O-N 3.11Å; E277-L287 HydrophobicContact CB-CD1 4.46Å; E277-L288 WeakPolarHBondContact CG-O 3.34Å; E277-S289 WeakPolarHBondContact OE1-CA 3.45Å; E277-L290 HydrophobicContact CG-CB 4.13Å; E277-L290 HydrophobicContact CG-CD1 3.63Å; E277-L290 HydrophobicContact CG-CG 3.63Å; E277-L290 PolarHBondContact OE1-N 3.35Å
278	S	98.5	Very high	97.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-72.4	-37.5	-177.6	-156	0	0	0	0	112.7	A254 G274 N275 V276 W280 F281 R282 S370 T371	A254-S278 WeakPolarHBondContact O-CA 3.47Å; A254-S278 VanDerWaalsContact O-CB 3.22Å; A254-S278 WeakPolarHBondContact O-CB 3.47Å; A254-S278 PolarHBondContact O-OG 3.41Å; G274-S278 PolarHBondContact O-N 3.4Å; N275-S278 PolarHBondContact O-N 3.23Å; V276-S278 VanDerWaalsContact C-N 3.31Å; V276-S278 PolarHBondContact O-N 2.83Å; S278-W280 VanDerWaalsContact C-N 3.33Å; S278-F281 PolarHBondContact O-N 2.89Å; S278-R282 WeakPolarHBondContact O-CB 3.29Å; S278-R282 PolarHBondContact O-N 3.15Å; S278-S370 WeakPolarHBondContact CB-OG 3.41Å; S278-S370 PolarHBondContact O-OG 3.44Å; S278-S370 PolarHBondContact OG-OG 3.46Å; S278-T371 WeakPolarHBondContact CB-OG1 3.45Å; S278-T371 VanDerWaalsContact OG-CG2 3.23Å; S278-T371 WeakPolarHBondContact OG-CG2 3.46Å
279	Q	98.1	Very high	97.9	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-64.8	-39.3	172.8	-74	-70.9	-3.4	0	0	111.4	N275 V276 R282 K283 S370 S453 A454 I456	N275-Q279 WeakPolarHBondContact O-CB 3.39Å; N275-Q279 WeakPolarHBondContact O-CG 3.43Å; N275-Q279 PolarHBondContact O-N 3.14Å; V276-Q279 PolarHBondContact O-N 2.61Å; Q279-R282 PolarHBondContact O-N 2.88Å; Q279-K283 PolarHBondContact O-N 2.81Å; Q279-S370 VanDerWaalsContact CD-CB 3.49Å; Q279-S370 PolarHBondContact N-OG 3.14Å; Q279-S370 VanDerWaalsContact NE2-CB 3.34Å; Q279-S453 PolarHBondContact NE2-OG 3.31Å; Q279-A454 PolarHBondContact NE2-O 3.13Å; Q279-I456 HydrophobicContact CB-CD1 3.77Å; Q279-I456 HydrophobicContact CB-CG1 4.42Å
280	W	98.3	Very high	98	Very high	30 Å²	30	32.6 Å²	32.6	11%	0.114	17%	0.168	C	C	.	.	H	α-helix	trans	-66.8	-42.4	176.9	-170.2	-94.6	0	0	0	111.5	V276 E277 S278 R282 K283 T284 V347 Y348 I456	V276-W280 VanDerWaalsContact O-CB 3.24Å; V276-W280 WeakPolarHBondContact O-CB 3.41Å; V276-W280 PolarHBondContact O-N 3.36Å; E277-W280 PolarHBondContact O-N 3.09Å; S278-W280 VanDerWaalsContact C-N 3.33Å; W280-R282 PolarHBondContact O-N 2.96Å; W280-K283 PolarHBondContact O-N 3.45Å; W280-T284 HydrophobicContact CD2-CG2 4.11Å; W280-T284 HydrophobicContact CG-CG2 4.44Å; W280-T284 HydrophobicContact CZ2-CG2 4Å; W280-T284 PolarHBondContact NE1-OG1 3.27Å; W280-T284 WeakPolarHBondContact O-CB 3.44Å; W280-T284 PolarHBondContact O-N 3.48Å; W280-T284 PolarHBondContact O-OG1 2.95Å; W280-V347 HydrophobicContact CB-CG1 4.47Å; W280-V347 HydrophobicContact CD2-CB 3.74Å; W280-V347 HydrophobicContact CD2-CG1 3.51Å; W280-V347 HydrophobicContact CE3-CB 3.65Å; W280-V347 HydrophobicContact CE3-CG1 3.99Å; W280-V347 HydrophobicContact CG-CB 4.27Å; W280-V347 HydrophobicContact CG-CG1 3.7Å; W280-V347 HydrophobicContact CH2-CB 4.34Å; W280-V347 HydrophobicContact CZ2-CB 4.38Å; W280-V347 HydrophobicContact CZ2-CG1 4.14Å; W280-V347 HydrophobicContact CZ3-CB 3.99Å; W280-Y348 AromaticContact CH2-CD1 3.72Å; W280-Y348 HydrophobicContact CH2-CD1 3.72Å; W280-Y348 AromaticContact CH2-CE1 3.61Å; W280-Y348 HydrophobicContact CH2-CE1 3.61Å; W280-Y348 AromaticContact CZ3-CD1 3.67Å; W280-Y348 HydrophobicContact CZ3-CD1 3.67Å; W280-Y348 AromaticContact CZ3-CE1 3.74Å; W280-Y348 HydrophobicContact CZ3-CE1 3.74Å; W280-Y348 HydrophobicContact CZ3-CG 4.11Å; W280-Y348 WeakPolarHBondContact CZ3-O 3.42Å; W280-I456 HydrophobicContact CB-CD1 4.07Å; W280-I456 HydrophobicContact CE3-CD1 3.78Å; W280-I456 HydrophobicContact CZ3-CG2 4.49Å
281	F	98.3	Very high	98	Very high	45 Å²	45	31.7 Å²	31.7	20%	0.197	16%	0.164	C	C	.	.	H	α-helix	trans	-57.3	-47.8	171.8	175	-93.6	0	0	0	111.4	K252 G253 A254 E277 S278 K283 T284 G285 K286 L287	K252-F281 WeakPolarHBondContact O-CZ 3.31Å; G253-F281 WeakPolarHBondContact O-CE2 3.47Å; A254-F281 HydrophobicContact CB-CB 4.47Å; A254-F281 HydrophobicContact CB-CD1 3.24Å; A254-F281 HydrophobicContact CB-CE1 3.57Å; A254-F281 HydrophobicContact CB-CG 3.95Å; A254-F281 HydrophobicContact CB-CZ 4.49Å; E277-F281 WeakPolarHBondContact O-CB 3.27Å; E277-F281 PolarHBondContact O-N 3.11Å; S278-F281 PolarHBondContact O-N 2.89Å; F281-K283 VanDerWaalsContact C-N 3.29Å; F281-K283 PolarHBondContact O-N 3.41Å; F281-T284 PolarHBondContact O-N 3.19Å; F281-G285 WeakPolarHBondContact O-CA 3.41Å; F281-G285 PolarHBondContact O-N 3.29Å; F281-K286 WeakPolarHBondContact CA-O 3.45Å; F281-L287 HydrophobicContact CB-CD1 4.06Å; F281-L287 HydrophobicContact CD2-CB 3.77Å; F281-L287 HydrophobicContact CE2-CB 4.47Å; F281-L287 HydrophobicContact CG-CD1 4.49Å
282	R	95.3	Very high	98	Very high	96 Å²	96	31.8 Å²	31.8	36%	0.362	16%	0.164	S	C	.	.	H	α-helix	trans	-58.4	-41.2	177.7	-177.8	-176.1	80.4	102.6	-1.5	112.6	S278 Q279 W280 N369	S278-R282 WeakPolarHBondContact O-CB 3.29Å; S278-R282 PolarHBondContact O-N 3.15Å; Q279-R282 PolarHBondContact O-N 2.88Å; W280-R282 PolarHBondContact O-N 2.96Å; R282-N369 WeakPolarHBondContact CD-O 3.29Å
283	K	96.1	Very high	98	Very high	98 Å²	98	31.8 Å²	31.8	43%	0.426	16%	0.164	S	C	.	.	H	α-helix	trans	-74.8	-38.5	-178	-180	61.9	170.8	-178.4	0	113	Q279 W280 F281 I456 Y457	Q279-K283 PolarHBondContact O-N 2.81Å; W280-K283 PolarHBondContact O-N 3.45Å; F281-K283 VanDerWaalsContact C-N 3.29Å; F281-K283 PolarHBondContact O-N 3.41Å; K283-I456 HydrophobicContact CB-CB 4.45Å; K283-I456 HydrophobicContact CB-CG2 4.22Å; K283-I456 HydrophobicContact CG-CB 4.47Å; K283-I456 HydrophobicContact CG-CG2 3.81Å; K283-Y457 WeakPolarHBondContact CE-OXT 3.36Å; K283-Y457 PolarHBondContact NZ-OXT 3.19Å
284	T	97	Very high	98	Very high	58 Å²	58	31.8 Å²	31.8	36%	0.356	16%	0.164	S	C	.	.	H	α-helix	trans	-116.7	-13.8	-166	69.4	0	0	0	0	114.5	W280 F281 K286	W280-T284 HydrophobicContact CD2-CG2 4.11Å; W280-T284 HydrophobicContact CG-CG2 4.44Å; W280-T284 HydrophobicContact CZ2-CG2 4Å; W280-T284 PolarHBondContact NE1-OG1 3.27Å; W280-T284 WeakPolarHBondContact O-CB 3.44Å; W280-T284 PolarHBondContact O-N 3.48Å; W280-T284 PolarHBondContact O-OG1 2.95Å; F281-T284 PolarHBondContact O-N 3.19Å; T284-K286 PolarHBondContact O-N 3.25Å; T284-K286 PolarHBondContact OG1-N 2.85Å; T284-K286 VanDerWaalsContact OG1-N 3.15Å
285	G	96.6	Very high	98	Very high	53 Å²	53	31.5 Å²	31.5	55%	0.546	16%	0.161	S	C	.	.	S	Bend	trans	73.2	4.1	-169.3	0	0	0	0	0	114.5	F281	F281-G285 WeakPolarHBondContact O-CA 3.41Å; F281-G285 PolarHBondContact O-N 3.29Å
286	K	97.6	Very high	97.9	Very high	141 Å²	141	31.9 Å²	31.9	61%	0.613	16%	0.164	S	C	*	.			trans	-109.3	119.1	-178.3	-62.8	-176.6	-179.3	-179.4	0	110.7	F281 T284	F281-K286 WeakPolarHBondContact CA-O 3.45Å; T284-K286 PolarHBondContact O-N 3.25Å; T284-K286 PolarHBondContact OG1-N 2.85Å; T284-K286 VanDerWaalsContact OG1-N 3.15Å
287	L	98.4	Very high	97.9	Very high	59 Å²	59	32.8 Å²	32.8	31%	0.309	17%	0.169	S	C	.	.			trans	-87.4	127	171.3	-171.6	70.1	0	0	0	107.9	G253 T256 E277 F281	G253-L287 WeakPolarHBondContact O-CD2 3.41Å; T256-L287 HydrophobicContact CG2-CD1 4.04Å; T256-L287 HydrophobicContact CG2-CD2 4Å; T256-L287 HydrophobicContact CG2-CG 3.88Å; E277-L287 HydrophobicContact CB-CD1 4.46Å; F281-L287 HydrophobicContact CB-CD1 4.06Å; F281-L287 HydrophobicContact CD2-CB 3.77Å; F281-L287 HydrophobicContact CE2-CB 4.47Å; F281-L287 HydrophobicContact CG-CD1 4.49Å
288	L	98.3	Very high	97.8	Very high	48 Å²	48	33.7 Å²	33.7	25%	0.251	18%	0.175	S	C	.	.			trans	-125.6	146.1	179	-62.4	175.9	0	0	0	108.1	T256 E277 L290 L325 V347	T256-L288 WeakPolarHBondContact CG2-O 3.3Å; E277-L288 WeakPolarHBondContact CG-O 3.34Å; L288-L290 HydrophobicContact CB-CD2 4.47Å; L288-L325 HydrophobicContact CB-CD2 3.85Å; L288-L325 HydrophobicContact CD1-CD2 4.2Å; L288-L325 HydrophobicContact CD2-CD2 4.27Å; L288-L325 HydrophobicContact CG-CD2 4.33Å; L288-V347 HydrophobicContact CD1-CG1 3.66Å
289	S	98.6	Very high	97.7	Very high	26 Å²	26	34.2 Å²	34.2	18%	0.182	18%	0.178	C	C	.	.			trans	-93.2	118.6	172.2	-169.2	0	0	0	0	108.5	K259 E277 L325 E326	K259-S289 VanDerWaalsContact CE-OG 3.22Å; K259-S289 WeakPolarHBondContact CE-OG 3.42Å; K259-S289 PolarHBondContact NZ-OG 3.04Å; E277-S289 WeakPolarHBondContact OE1-CA 3.45Å; S289-L325 WeakPolarHBondContact O-CA 3.46Å; S289-E326 PolarHBondContact O-N 3.1Å
290	L	98.7	Very high	97.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-100.2	152.8	-172.3	-60.9	176.8	0	0	0	111.6	K259 T273 V276 E277 L288 E292 L323 L325 V347	K259-L290 PolarHBondContact NZ-O 2.84Å; T273-L290 HydrophobicContact CG2-CB 4.18Å; V276-L290 HydrophobicContact CB-CD1 3.93Å; V276-L290 HydrophobicContact CG1-CD1 3.66Å; E277-L290 HydrophobicContact CG-CB 4.13Å; E277-L290 HydrophobicContact CG-CD1 3.63Å; E277-L290 HydrophobicContact CG-CG 3.63Å; E277-L290 PolarHBondContact OE1-N 3.35Å; L288-L290 HydrophobicContact CB-CD2 4.47Å; L290-E292 PolarHBondContact O-N 3.42Å; L290-L323 HydrophobicContact CB-CD1 4.41Å; L290-L323 HydrophobicContact CD1-CB 4.43Å; L290-L323 HydrophobicContact CD1-CD1 3.84Å; L290-L323 HydrophobicContact CD2-CB 4.31Å; L290-L325 HydrophobicContact CD2-CD2 4.33Å; L290-V347 HydrophobicContact CD1-CG2 3.65Å; L290-V347 HydrophobicContact CD2-CB 4.33Å; L290-V347 HydrophobicContact CD2-CG1 3.85Å; L290-V347 HydrophobicContact CD2-CG2 3.48Å; L290-V347 VanDerWaalsContact CD2-CG2 3.48Å; L290-V347 HydrophobicContact CG-CG2 4.22Å
291	S	98.3	Very high	97	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.227	C	C	.	.			trans	-77.1	113	-178.9	174.5	0	0	0	0	112.2	Q293 Q294 M324 Y329	S291-Q293 VanDerWaalsContact C-N 3.3Å; S291-Q293 PolarHBondContact OG-N 3.14Å; S291-Q294 PolarHBondContact OG-N 3.39Å; S291-M324 PolarHBondContact N-O 2.96Å; S291-Y329 VanDerWaalsContact CB-O 3.25Å; S291-Y329 WeakPolarHBondContact CB-O 3.44Å; S291-Y329 WeakPolarHBondContact OG-CB 3.26Å; S291-Y329 PolarHBondContact OG-O 2.87Å
292	E	98.4	Very high	96.7	Very high	4 Å²	4	39 Å²	39	2%	0.019	23%	0.225	C	C	.	.	H	α-helix	trans	-69.6	-30.5	165.6	-67.8	80.7	-165.8	0	0	112	K259 A269 F270 T273 L290 Q294 L295 V296 Y331	K259-E292 WeakPolarHBondContact CD-OE2 3.43Å; K259-E292 VanDerWaalsContact NZ-CD 3.27Å; K259-E292 IonicContact NZ-OE1 3.07Å; K259-E292 PolarHBondContact NZ-OE1 2.78Å; K259-E292 IonicContact NZ-OE2 2.69Å; K259-E292 PolarHBondContact NZ-OE2 3.38Å; A269-E292 HydrophobicContact CB-CB 4.09Å; A269-E292 HydrophobicContact CB-CG 4.34Å; F270-E292 HydrophobicContact CB-CG 4.3Å; F270-E292 HydrophobicContact CD1-CG 3.58Å; F270-E292 HydrophobicContact CD2-CB 4.4Å; F270-E292 HydrophobicContact CD2-CG 3.98Å; F270-E292 HydrophobicContact CE1-CB 4.29Å; F270-E292 HydrophobicContact CE1-CG 3.71Å; F270-E292 HydrophobicContact CE2-CB 4.13Å; F270-E292 HydrophobicContact CE2-CG 4.09Å; F270-E292 HydrophobicContact CG-CG 3.71Å; F270-E292 HydrophobicContact CZ-CB 4.08Å; F270-E292 HydrophobicContact CZ-CG 3.97Å; T273-E292 WeakPolarHBondContact CB-OE1 3.21Å; T273-E292 HydrophobicContact CG2-CG 3.82Å; T273-E292 WeakPolarHBondContact OG1-CG 3.48Å; T273-E292 PolarHBondContact OG1-OE1 2.92Å; L290-E292 PolarHBondContact O-N 3.42Å; E292-Q294 VanDerWaalsContact C-N 3.3Å; E292-Q294 PolarHBondContact O-N 2.5Å; E292-L295 WeakPolarHBondContact O-CB 3.36Å; E292-L295 PolarHBondContact O-N 2.62Å; E292-V296 PolarHBondContact O-N 3.15Å; E292-Y331 HydrophobicContact CB-CD2 3.94Å; E292-Y331 HydrophobicContact CB-CE2 4.21Å
293	Q	98.2	Very high	96.6	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-62.6	-37.9	-179.7	-166.2	60.2	47	0	0	112.2	S291 L295 V296 D297 Y329 P330 Y331 K334	S291-Q293 VanDerWaalsContact C-N 3.3Å; S291-Q293 PolarHBondContact OG-N 3.14Å; Q293-L295 PolarHBondContact O-N 2.75Å; Q293-V296 PolarHBondContact O-N 3.02Å; Q293-V296 VanDerWaalsContact O-N 3.14Å; Q293-D297 VanDerWaalsContact NE2-CG 3.29Å; Q293-D297 PolarHBondContact NE2-OD1 3.29Å; Q293-D297 PolarHBondContact NE2-OD2 2.82Å; Q293-D297 VanDerWaalsContact NE2-OD2 3.16Å; Q293-D297 PolarHBondContact O-N 2.81Å; Q293-Y329 HydrophobicContact CB-CD1 3.68Å; Q293-Y329 HydrophobicContact CB-CE1 3.79Å; Q293-Y329 HydrophobicContact CG-CD1 3.71Å; Q293-Y329 HydrophobicContact CG-CE1 3.37Å; Q293-P330 WeakPolarHBondContact CB-O 3.35Å; Q293-P330 WeakPolarHBondContact CG-O 3.49Å; Q293-Y331 HydrophobicContact CB-CD2 4.22Å; Q293-K334 PolarHBondContact NE2-O 2.9Å
294	Q	98.3	Very high	96.5	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-56.1	-42.7	173	-176.3	-168.7	-27.4	0	0	111	S291 E292 C298 M320 G322 L323 Y329	S291-Q294 PolarHBondContact OG-N 3.39Å; E292-Q294 VanDerWaalsContact C-N 3.3Å; E292-Q294 PolarHBondContact O-N 2.5Å; Q294-C298 HydrophobicContact CG-CB 4.4Å; Q294-C298 WeakPolarHBondContact O-CA 3.27Å; Q294-C298 WeakPolarHBondContact O-CB 3.09Å; Q294-C298 PolarHBondContact O-N 3.23Å; Q294-M320 HydrophobicContact CG-SD 4.3Å; Q294-M320 PolarHBondContact NE2-SD 3.09Å; Q294-G322 PolarHBondContact NE2-O 3.48Å; Q294-L323 HydrophobicContact CG-CD2 4.45Å; Q294-Y329 HydrophobicContact CB-CD2 3.78Å; Q294-Y329 HydrophobicContact CB-CE2 3.96Å; Q294-Y329 HydrophobicContact CB-CG 4.28Å; Q294-Y329 HydrophobicContact CG-CD2 4.17Å; Q294-Y329 HydrophobicContact CG-CE2 4.15Å
295	L	98.2	Very high	96.3	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-66	-46.2	176.2	-68.3	179.1	0	0	0	111	W268 A269 T272 T273 E292 Q293 D297 D299 A313 I317 M320 L323	W268-L295 HydrophobicContact CH2-CB 3.89Å; W268-L295 HydrophobicContact CZ3-CB 3.89Å; W268-L295 HydrophobicContact CZ3-CD1 4.42Å; A269-L295 HydrophobicContact CB-CB 3.9Å; A269-L295 HydrophobicContact CB-CD1 3.96Å; T272-L295 HydrophobicContact CG2-CD1 3.95Å; T273-L295 HydrophobicContact CG2-CD1 3.82Å; E292-L295 WeakPolarHBondContact O-CB 3.36Å; E292-L295 PolarHBondContact O-N 2.62Å; Q293-L295 PolarHBondContact O-N 2.75Å; L295-D297 PolarHBondContact O-N 2.89Å; L295-D299 WeakPolarHBondContact O-CB 3.19Å; L295-D299 PolarHBondContact O-N 3.33Å; L295-A313 HydrophobicContact CD1-CB 4.44Å; L295-A313 HydrophobicContact CD2-CB 4.46Å; L295-I317 HydrophobicContact CD2-CD1 4.05Å; L295-I317 HydrophobicContact CD2-CG1 3.67Å; L295-M320 HydrophobicContact CD2-CE 4.02Å; L295-L323 HydrophobicContact CD2-CD2 3.85Å; L295-L323 HydrophobicContact CG-CD2 4.04Å
296	V	97.7	Very high	96	Very high	8 Å²	8	34.8 Å²	34.8	5%	0.048	20%	0.202	C	C	.	.	H	α-helix	trans	-55.3	-39.7	178.7	171.8	0	0	0	0	112.1	A269 E292 Q293 Y331	A269-V296 HydrophobicContact CB-CG2 4.43Å; E292-V296 PolarHBondContact O-N 3.15Å; Q293-V296 PolarHBondContact O-N 3.02Å; Q293-V296 VanDerWaalsContact O-N 3.14Å; V296-Y331 HydrophobicContact CG2-CE2 4.3Å
297	D	98.1	Very high	95.7	Very high	20 Å²	20	28.3 Å²	28.3	11%	0.107	18%	0.175	C	C	.	.	H	α-helix	trans	-93.6	-31.2	-173.9	-64.2	-23.7	0	0	0	114.7	Q293 L295 Y329 E336 C338	Q293-D297 VanDerWaalsContact NE2-CG 3.29Å; Q293-D297 PolarHBondContact NE2-OD1 3.29Å; Q293-D297 PolarHBondContact NE2-OD2 2.82Å; Q293-D297 VanDerWaalsContact NE2-OD2 3.16Å; Q293-D297 PolarHBondContact O-N 2.81Å; L295-D297 PolarHBondContact O-N 2.89Å; D297-Y329 VanDerWaalsContact CB-OH 3.27Å; D297-Y329 WeakPolarHBondContact CB-OH 3.39Å; D297-Y329 WeakPolarHBondContact OD2-CE1 3.32Å; D297-Y329 PolarHBondContact OD2-OH 3.29Å; D297-E336 WeakPolarHBondContact OD1-CA 3.35Å; D297-E336 PolarHBondContact OD1-N 2.99Å; D297-C338 WeakPolarHBondContact O-CB 3.25Å
298	C	97.7	Very high	95.4	Very high	21 Å²	21	25.6 Å²	25.6	14%	0.142	16%	0.161	C	C	.	.	H	α-helix	trans	-111.7	-12.7	-168.6	-56.8	0	0	0	0	114.2	Q294 G300 M320 C338	Q294-C298 HydrophobicContact CG-CB 4.4Å; Q294-C298 WeakPolarHBondContact O-CA 3.27Å; Q294-C298 WeakPolarHBondContact O-CB 3.09Å; Q294-C298 PolarHBondContact O-N 3.23Å; C298-G300 PolarHBondContact O-N 3Å; C298-M320 HydrophobicContact CB-CE 4.41Å; C298-M320 HydrophobicContact CB-SD 3.3Å; C298-M320 WeakPolarHBondContact CB-SD 3.37Å; C298-C338 HydrophobicContact CB-CB 3.83Å; C298-C338 WeakPolarHBondContact CB-SG 3.36Å; C298-C338 WeakPolarHBondContact SG-CA 3.27Å; C298-C338 WeakPolarHBondContact SG-CB 3.39Å; C298-C338 CovalentContact SG-SG 2.03Å; C298-C338 PolarHBondContact SG-SG 3.21Å
299	D	95.8	Very high	95.2	Very high	11 Å²	11	24 Å²	24	6%	0.059	15%	0.152	C	C	.	.			trans	-69.5	111.2	171	-167	-28.2	0	0	0	110.1	W268 L295 L301 D302 A313 S316	W268-D299 HydrophobicContact CH2-CB 3.85Å; W268-D299 HydrophobicContact CZ3-CB 4.33Å; L295-D299 WeakPolarHBondContact O-CB 3.19Å; L295-D299 PolarHBondContact O-N 3.33Å; D299-L301 WeakPolarHBondContact OD1-CA 3.02Å; D299-L301 WeakPolarHBondContact OD1-CB 3.48Å; D299-L301 PolarHBondContact OD1-N 3.3Å; D299-D302 PolarHBondContact OD1-N 3.45Å; D299-A313 WeakPolarHBondContact OD2-CA 3.34Å; D299-S316 VanDerWaalsContact CG-CB 3.45Å; D299-S316 WeakPolarHBondContact OD1-CB 3.5Å; D299-S316 PolarHBondContact OD1-OG 2.91Å; D299-S316 WeakPolarHBondContact OD2-CB 3.25Å; D299-S316 PolarHBondContact OD2-OG 3.37Å
300	G	90	Very high	95	Very high	74 Å²	74	22.7 Å²	22.7	76%	0.763	14%	0.144	S	C	*	.	S	Bend	trans	-87.5	2.6	178.7	0	0	0	0	0	115	C298	C298-G300 PolarHBondContact O-N 3Å
301	L	91.9	Very high	94.6	Very high	75 Å²	75	23.3 Å²	23.3	39%	0.393	15%	0.148	S	C	.	.	S	Bend	trans	-103.9	-25.5	179.5	-63	177.3	0	0	0	112.9	D299 N312 E315	D299-L301 WeakPolarHBondContact OD1-CA 3.02Å; D299-L301 WeakPolarHBondContact OD1-CB 3.48Å; D299-L301 PolarHBondContact OD1-N 3.3Å; L301-N312 HydrophobicContact CB-CB 4Å; L301-N312 HydrophobicContact CD1-CB 4.31Å; L301-E315 HydrophobicContact CD1-CB 3.97Å; L301-E315 HydrophobicContact CD1-CG 4.03Å
302	D	92.1	Very high	94.4	Very high	27 Å²	27	24.5 Å²	24.5	14%	0.144	15%	0.154	C	C	.	.	S	Bend	trans	-108.5	175.4	179.3	-70.4	-34.5	0	0	0	111.3	W268 D299 G308 L309 N312	W268-D302 HydrophobicContact CH2-CB 3.99Å; W268-D302 HydrophobicContact CZ2-CB 4.02Å; W268-D302 HydrophobicContact CZ3-CB 4.32Å; D299-D302 PolarHBondContact OD1-N 3.45Å; D302-G308 VanDerWaalsContact OD1-CA 3.31Å; D302-G308 WeakPolarHBondContact OD1-CA 3.21Å; D302-L309 VanDerWaalsContact CG-N 3.3Å; D302-L309 PolarHBondContact OD1-N 3.37Å; D302-L309 VanDerWaalsContact OD1-N 3.11Å; D302-L309 PolarHBondContact OD2-N 2.93Å; D302-N312 WeakPolarHBondContact OD1-CB 3.49Å; D302-N312 PolarHBondContact OD1-ND2 3.22Å; D302-N312 WeakPolarHBondContact OD2-CB 3.34Å
303	D	92.8	Very high	94.3	Very high	98 Å²	98	24.3 Å²	24.3	52%	0.524	15%	0.154	S	C	.	.			trans	-114.6	37.8	-172.5	-165.8	21.2	0	0	0	112.4	C305 N306 G307	D303-C305 PolarHBondContact O-N 3.48Å; D303-C305 VanDerWaalsContact O-N 3.16Å; D303-N306 HydrophobicContact CB-CB 4.07Å; D303-N306 WeakPolarHBondContact O-CB 3.47Å; D303-N306 PolarHBondContact O-N 2.98Å; D303-N306 WeakPolarHBondContact OD2-CB 3.3Å; D303-N306 PolarHBondContact OD2-ND2 2.92Å; D303-N306 VanDerWaalsContact OD2-ND2 3.1Å; D303-G307 CarbonylContact C-O 3.4Å; D303-G307 WeakPolarHBondContact CA-O 3.44Å; D303-G307 PolarHBondContact N-O 3.14Å
304	G	93.7	Very high	94.2	Very high	5 Å²	5	24.3 Å²	24.3	5%	0.052	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	-119.8	174.6	0	0	0	0	0	113	W268 N306 G307 N335	W268-G304 PolarHBondContact NE1-O 3.47Å; G304-N306 PolarHBondContact O-N 2.88Å; G304-G307 PolarHBondContact O-N 3.04Å; G304-N335 WeakPolarHBondContact CA-OD1 3.47Å
305	C	93.4	Very high	94.1	Very high	17 Å²	17	27.8 Å²	27.8	12%	0.115	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-9.7	176.5	-69.4	0	0	0	0	115.6	C264 G265 D303 K334 N335	C264-C305 HydrophobicContact CB-CB 3.94Å; C264-C305 WeakPolarHBondContact CB-SG 3.38Å; C264-C305 WeakPolarHBondContact SG-CA 2.87Å; C264-C305 WeakPolarHBondContact SG-CB 3.26Å; C264-C305 CovalentContact SG-SG 2.04Å; C264-C305 PolarHBondContact SG-SG 3.49Å; G265-C305 CarbonylContact C-O 3.47Å; G265-C305 WeakPolarHBondContact CA-O 3.39Å; G265-C305 PolarHBondContact N-O 3.1Å; G265-C305 CarbonylContact O-C 2.98Å; D303-C305 PolarHBondContact O-N 3.48Å; D303-C305 VanDerWaalsContact O-N 3.16Å; C305-K334 VanDerWaalsContact SG-CA 3.53Å; C305-N335 PolarHBondContact N-OD1 3.34Å
306	N	91.1	Very high	94.1	Very high	97 Å²	97	28.1 Å²	28.1	52%	0.519	17%	0.172	S	C	.	.	B	Isolated β-bridge	trans	-93.9	-1.8	177.3	-59.2	-46.5	0	0	0	112.6	D303 G304	D303-N306 HydrophobicContact CB-CB 4.07Å; D303-N306 WeakPolarHBondContact O-CB 3.47Å; D303-N306 PolarHBondContact O-N 2.98Å; D303-N306 WeakPolarHBondContact OD2-CB 3.3Å; D303-N306 PolarHBondContact OD2-ND2 2.92Å; D303-N306 VanDerWaalsContact OD2-ND2 3.1Å; G304-N306 PolarHBondContact O-N 2.88Å
307	G	91.4	Very high	94.1	Very high	4 Å²	4	27.8 Å²	27.8	4%	0.041	17%	0.17	C	C	.	.			trans	124.7	165.4	175.7	0	0	0	0	0	114.3	T220 G265 D303 G304	T220-G307 WeakPolarHBondContact O-CA 3.45Å; G265-G307 PolarHBondContact O-N 3.12Å; D303-G307 CarbonylContact C-O 3.4Å; D303-G307 WeakPolarHBondContact CA-O 3.44Å; D303-G307 PolarHBondContact N-O 3.14Å; G304-G307 PolarHBondContact O-N 3.04Å
308	G	92	Very high	94	Very high	2 Å²	2	30.3 Å²	30.3	2%	0.021	18%	0.182	C	C	.	.			trans	-176.2	-178.6	-177.1	0	0	0	0	0	111.9	W268 D302	W268-G308 WeakPolarHBondContact CB-O 3.41Å; D302-G308 VanDerWaalsContact OD1-CA 3.31Å; D302-G308 WeakPolarHBondContact OD1-CA 3.21Å
309	L	92.4	Very high	93.9	Very high	14 Å²	14	35.6 Å²	35.6	7%	0.073	20%	0.203	C	C	.	.			trans	-129.4	130.5	-178.6	-70.9	176.6	0	0	0	110.2	S222 W223 D302 S311 N312 A313	S222-L309 WeakPolarHBondContact O-CD2 3.38Å; W223-L309 HydrophobicContact CD2-CD2 3.75Å; W223-L309 HydrophobicContact CE3-CD2 3.24Å; W223-L309 HydrophobicContact CG-CD2 4.36Å; W223-L309 HydrophobicContact CH2-CD2 4.34Å; W223-L309 HydrophobicContact CZ3-CD2 3.57Å; D302-L309 VanDerWaalsContact CG-N 3.3Å; D302-L309 PolarHBondContact OD1-N 3.37Å; D302-L309 VanDerWaalsContact OD1-N 3.11Å; D302-L309 PolarHBondContact OD2-N 2.93Å; L309-S311 PolarHBondContact O-N 3.48Å; L309-N312 HydrophobicContact CB-CB 4.24Å; L309-N312 WeakPolarHBondContact O-CA 3.35Å; L309-N312 WeakPolarHBondContact O-CB 3.4Å; L309-N312 PolarHBondContact O-N 3.43Å; L309-A313 PolarHBondContact O-N 2.92Å
310	P	94.3	Very high	94	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-53.7	-34.2	175.5	-28.5	36	0	0	0	113.9	W223 W268 T272 N312 A313 Y314 S373 A404 T452	W223-P310 HydrophobicContact CH2-CG 3.98Å; W268-P310 HydrophobicContact CB-CG 4.45Å; T272-P310 WeakPolarHBondContact OG1-CA 3.01Å; T272-P310 WeakPolarHBondContact OG1-CB 3.08Å; P310-N312 VanDerWaalsContact C-N 3.32Å; P310-N312 PolarHBondContact O-N 2.9Å; P310-A313 WeakPolarHBondContact O-CB 3.5Å; P310-A313 PolarHBondContact O-N 3.04Å; P310-Y314 HydrophobicContact CB-CE2 4.35Å; P310-Y314 WeakPolarHBondContact O-CD2 3.17Å; P310-Y314 WeakPolarHBondContact O-CE2 3.31Å; P310-Y314 VanDerWaalsContact O-CG 3.27Å; P310-Y314 PolarHBondContact O-N 3.01Å; P310-S373 WeakPolarHBondContact CB-OG 3.42Å; P310-S373 WeakPolarHBondContact CG-OG 3.39Å; P310-A404 HydrophobicContact CG-CB 4.23Å; P310-T452 HydrophobicContact CB-CG2 3.95Å
311	S	91.9	Very high	94.3	Very high	13 Å²	13	35.3 Å²	35.3	9%	0.091	19%	0.194	C	C	.	.	H	α-helix	trans	-70	-22.7	177	73.1	0	0	0	0	114.8	R229 L309	R229-S311 PolarHBondContact NH1-O 3.24Å; R229-S311 PolarHBondContact NH1-OG 3.23Å; L309-S311 PolarHBondContact O-N 3.48Å
312	N	93.5	Very high	94.6	Very high	25 Å²	25	31.7 Å²	31.7	13%	0.134	18%	0.176	C	C	.	.	H	α-helix	trans	-82	-44.2	168.9	-74.1	-9	0	0	0	109.8	R229 L301 D302 L309 P310 Y314 E315 S316	R229-N312 PolarHBondContact NH2-OD1 3.36Å; L301-N312 HydrophobicContact CB-CB 4Å; L301-N312 HydrophobicContact CD1-CB 4.31Å; D302-N312 WeakPolarHBondContact OD1-CB 3.49Å; D302-N312 PolarHBondContact OD1-ND2 3.22Å; D302-N312 WeakPolarHBondContact OD2-CB 3.34Å; L309-N312 HydrophobicContact CB-CB 4.24Å; L309-N312 WeakPolarHBondContact O-CA 3.35Å; L309-N312 WeakPolarHBondContact O-CB 3.4Å; L309-N312 PolarHBondContact O-N 3.43Å; P310-N312 VanDerWaalsContact C-N 3.32Å; P310-N312 PolarHBondContact O-N 2.9Å; N312-Y314 VanDerWaalsContact C-N 3.27Å; N312-Y314 PolarHBondContact O-N 3.43Å; N312-E315 WeakPolarHBondContact O-CA 3.18Å; N312-E315 VanDerWaalsContact O-CB 3.3Å; N312-E315 WeakPolarHBondContact O-CB 3.31Å; N312-E315 PolarHBondContact O-N 3.22Å; N312-S316 PolarHBondContact O-N 3.5Å
313	A	95.9	Very high	94.9	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-52.7	-42.9	176.5	0	0	0	0	0	113	W268 T272 L295 D299 L309 P310 E315 S316 I317	W268-A313 HydrophobicContact CE3-CB 3.85Å; W268-A313 HydrophobicContact CZ3-CB 3.7Å; T272-A313 HydrophobicContact CG2-CB 3.6Å; L295-A313 HydrophobicContact CD1-CB 4.44Å; L295-A313 HydrophobicContact CD2-CB 4.46Å; D299-A313 WeakPolarHBondContact OD2-CA 3.34Å; L309-A313 PolarHBondContact O-N 2.92Å; P310-A313 WeakPolarHBondContact O-CB 3.5Å; P310-A313 PolarHBondContact O-N 3.04Å; A313-E315 VanDerWaalsContact C-N 3.32Å; A313-E315 PolarHBondContact O-N 3.21Å; A313-S316 PolarHBondContact O-N 3.38Å; A313-I317 WeakPolarHBondContact O-CG1 3.38Å; A313-I317 PolarHBondContact O-N 2.92Å
314	Y	97.1	Very high	95.1	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-59.7	-39.7	173.6	-60.7	-44.3	0	0	0	113.4	T272 N275 V276 P310 N312 I317 I318 I349 S373 T452 A454	T272-Y314 HydrophobicContact CG2-CD1 3.72Å; T272-Y314 HydrophobicContact CG2-CE1 3.5Å; N275-Y314 WeakPolarHBondContact CB-OH 3.28Å; N275-Y314 VanDerWaalsContact CG-OH 3.25Å; N275-Y314 PolarHBondContact OD1-OH 3.4Å; V276-Y314 HydrophobicContact CG2-CD1 4.28Å; V276-Y314 HydrophobicContact CG2-CE1 3.97Å; P310-Y314 HydrophobicContact CB-CE2 4.35Å; P310-Y314 WeakPolarHBondContact O-CD2 3.17Å; P310-Y314 WeakPolarHBondContact O-CE2 3.31Å; P310-Y314 VanDerWaalsContact O-CG 3.27Å; P310-Y314 PolarHBondContact O-N 3.01Å; N312-Y314 VanDerWaalsContact C-N 3.27Å; N312-Y314 PolarHBondContact O-N 3.43Å; Y314-I317 HydrophobicContact CD1-CD1 4.33Å; Y314-I317 PolarHBondContact O-N 3.21Å; Y314-I318 WeakPolarHBondContact O-CD1 3.35Å; Y314-I318 VanDerWaalsContact O-CG1 3.29Å; Y314-I318 WeakPolarHBondContact O-CG1 3.39Å; Y314-I318 PolarHBondContact O-N 3.2Å; Y314-I318 VanDerWaalsContact O-N 3.14Å; Y314-I349 HydrophobicContact CD1-CD1 3.7Å; Y314-I349 HydrophobicContact CG-CD1 4.08Å; Y314-S373 WeakPolarHBondContact OH-CB 3.26Å; Y314-T452 HydrophobicContact CE2-CG2 3.69Å; Y314-T452 WeakPolarHBondContact CE2-OG1 3.47Å; Y314-A454 HydrophobicContact CD1-CB 3.96Å; Y314-A454 HydrophobicContact CE1-CB 3.79Å
315	E	96.1	Very high	95.4	Very high	73 Å²	73	28 Å²	28	34%	0.341	15%	0.154	S	C	.	.	H	α-helix	trans	-65.8	-43	176.6	-174.1	-176.8	160.4	0	0	111.1	R229 L301 N312 A313 I318 K319	R229-E315 IonicContact NH2-OE2 3.05Å; L301-E315 HydrophobicContact CD1-CB 3.97Å; L301-E315 HydrophobicContact CD1-CG 4.03Å; N312-E315 WeakPolarHBondContact O-CA 3.18Å; N312-E315 VanDerWaalsContact O-CB 3.3Å; N312-E315 WeakPolarHBondContact O-CB 3.31Å; N312-E315 PolarHBondContact O-N 3.22Å; A313-E315 VanDerWaalsContact C-N 3.32Å; A313-E315 PolarHBondContact O-N 3.21Å; E315-I318 PolarHBondContact O-N 2.89Å; E315-K319 HydrophobicContact CG-CD 4.48Å; E315-K319 WeakPolarHBondContact O-CG 3.31Å; E315-K319 PolarHBondContact O-N 3.5Å; E315-K319 WeakPolarHBondContact OE1-CE 3.47Å; E315-K319 IonicContact OE1-NZ 2.61Å; E315-K319 PolarHBondContact OE1-NZ 2.9Å
316	S	96.7	Very high	95.6	Very high	6 Å²	6	28.7 Å²	28.7	4%	0.042	16%	0.156	C	C	.	.	H	α-helix	trans	-64.1	-39.7	176.2	-70.9	0	0	0	0	112.1	D299 N312 A313 I318 K319 M320	D299-S316 VanDerWaalsContact CG-CB 3.45Å; D299-S316 WeakPolarHBondContact OD1-CB 3.5Å; D299-S316 PolarHBondContact OD1-OG 2.91Å; D299-S316 WeakPolarHBondContact OD2-CB 3.25Å; D299-S316 PolarHBondContact OD2-OG 3.37Å; N312-S316 PolarHBondContact O-N 3.5Å; A313-S316 PolarHBondContact O-N 3.38Å; S316-I318 VanDerWaalsContact C-N 3.34Å; S316-I318 PolarHBondContact O-N 3.46Å; S316-K319 PolarHBondContact O-N 3.32Å; S316-M320 WeakPolarHBondContact O-CB 2.98Å; S316-M320 VanDerWaalsContact O-CG 3.32Å; S316-M320 WeakPolarHBondContact O-CG 3.14Å; S316-M320 PolarHBondContact O-N 3.29Å
317	I	98.1	Very high	95.9	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-58.8	-45.4	173.9	-68.3	163.3	0	0	0	110.9	T272 V276 L295 A313 Y314 K319 M320 G321 G322 L323 I349	T272-I317 HydrophobicContact CG2-CD1 3.68Å; V276-I317 HydrophobicContact CG2-CD1 4.15Å; L295-I317 HydrophobicContact CD2-CD1 4.05Å; L295-I317 HydrophobicContact CD2-CG1 3.67Å; A313-I317 WeakPolarHBondContact O-CG1 3.38Å; A313-I317 PolarHBondContact O-N 2.92Å; Y314-I317 HydrophobicContact CD1-CD1 4.33Å; Y314-I317 PolarHBondContact O-N 3.21Å; I317-K319 PolarHBondContact O-N 2.81Å; I317-M320 HydrophobicContact CG1-CE 4.47Å; I317-M320 PolarHBondContact O-N 3.09Å; I317-G321 PolarHBondContact O-N 3.37Å; I317-G321 VanDerWaalsContact O-N 3.11Å; I317-G322 PolarHBondContact O-N 3.09Å; I317-L323 HydrophobicContact CD1-CD1 3.72Å; I317-L323 HydrophobicContact CD1-CD2 4.4Å; I317-L323 HydrophobicContact CD1-CG 4.14Å; I317-L323 HydrophobicContact CG1-CD1 4.09Å; I317-L323 HydrophobicContact CG1-CD2 3.93Å; I317-L323 HydrophobicContact CG1-CG 3.93Å; I317-L323 HydrophobicContact CG2-CG 4.14Å; I317-I349 HydrophobicContact CB-CD1 4.08Å; I317-I349 HydrophobicContact CB-CG1 4.37Å; I317-I349 HydrophobicContact CD1-CD1 4.35Å; I317-I349 HydrophobicContact CG2-CD1 4Å; I317-I349 HydrophobicContact CG2-CG1 3.84Å
318	I	96.9	Very high	96.2	Very high	73 Å²	73	35.2 Å²	35.2	37%	0.374	19%	0.19	S	C	.	.	H	α-helix	trans	-62.2	-44.9	178.3	-65.9	162.4	0	0	0	110.3	Y314 E315 S316 M320 G321 I349	Y314-I318 WeakPolarHBondContact O-CD1 3.35Å; Y314-I318 VanDerWaalsContact O-CG1 3.29Å; Y314-I318 WeakPolarHBondContact O-CG1 3.39Å; Y314-I318 PolarHBondContact O-N 3.2Å; Y314-I318 VanDerWaalsContact O-N 3.14Å; E315-I318 PolarHBondContact O-N 2.89Å; S316-I318 VanDerWaalsContact C-N 3.34Å; S316-I318 PolarHBondContact O-N 3.46Å; I318-M320 PolarHBondContact O-N 3.26Å; I318-G321 PolarHBondContact O-N 2.98Å; I318-G321 VanDerWaalsContact O-N 3.17Å; I318-I349 HydrophobicContact CD1-CD1 4.49Å; I318-I349 HydrophobicContact CD1-CG1 4.26Å; I318-I349 HydrophobicContact CG1-CD1 4.21Å; I318-I349 HydrophobicContact CG1-CG1 3.67Å
319	K	96	Very high	96.4	Very high	133 Å²	133	35.1 Å²	35.1	58%	0.578	19%	0.189	S	C	*	.	H	α-helix	trans	-64.4	-37.9	178.2	-72.5	175	-175.6	166.7	0	113	E315 S316 I317 G321	E315-K319 HydrophobicContact CG-CD 4.48Å; E315-K319 WeakPolarHBondContact O-CG 3.31Å; E315-K319 PolarHBondContact O-N 3.5Å; E315-K319 WeakPolarHBondContact OE1-CE 3.47Å; E315-K319 IonicContact OE1-NZ 2.61Å; E315-K319 PolarHBondContact OE1-NZ 2.9Å; S316-K319 PolarHBondContact O-N 3.32Å; I317-K319 PolarHBondContact O-N 2.81Å; K319-G321 PolarHBondContact O-N 3.49Å
320	M	96.1	Very high	96.7	Very high	31 Å²	31	38.1 Å²	38.1	15%	0.153	21%	0.209	C	C	.	.	H	α-helix	trans	-71.7	-16.1	176	-74.1	-170.7	-74.3	0	0	113.2	Q294 L295 C298 S316 I317 I318 G322 L340	Q294-M320 HydrophobicContact CG-SD 4.3Å; Q294-M320 PolarHBondContact NE2-SD 3.09Å; L295-M320 HydrophobicContact CD2-CE 4.02Å; C298-M320 HydrophobicContact CB-CE 4.41Å; C298-M320 HydrophobicContact CB-SD 3.3Å; C298-M320 WeakPolarHBondContact CB-SD 3.37Å; S316-M320 WeakPolarHBondContact O-CB 2.98Å; S316-M320 VanDerWaalsContact O-CG 3.32Å; S316-M320 WeakPolarHBondContact O-CG 3.14Å; S316-M320 PolarHBondContact O-N 3.29Å; I317-M320 HydrophobicContact CG1-CE 4.47Å; I317-M320 PolarHBondContact O-N 3.09Å; I318-M320 PolarHBondContact O-N 3.26Å; M320-G322 VanDerWaalsContact C-N 3.31Å; M320-L340 HydrophobicContact CB-CD2 3.82Å; M320-L340 HydrophobicContact CG-CD2 3.92Å; M320-L340 HydrophobicContact SD-CD2 4.04Å
321	G	96.3	Very high	96.9	Very high	47 Å²	47	40.1 Å²	40.1	49%	0.485	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.2	1.1	-174.6	0	0	0	0	0	114.1	I317 I318 K319	I317-G321 PolarHBondContact O-N 3.37Å; I317-G321 VanDerWaalsContact O-N 3.11Å; I318-G321 PolarHBondContact O-N 2.98Å; I318-G321 VanDerWaalsContact O-N 3.17Å; K319-G321 PolarHBondContact O-N 3.49Å
322	G	97.9	Very high	97.1	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.234	C	C	.	.	S	Bend	trans	142.8	-169	176.1	0	0	0	0	0	115.3	Q294 I317 M320 V347	Q294-G322 PolarHBondContact NE2-O 3.48Å; I317-G322 PolarHBondContact O-N 3.09Å; M320-G322 VanDerWaalsContact C-N 3.31Å; G322-V347 CarbonylContact C-O 3.57Å; G322-V347 WeakPolarHBondContact CA-O 2.96Å
323	L	98.6	Very high	97.2	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-118.3	145.3	178.6	-69.2	172.4	0	0	0	112	T273 V276 L290 Q294 L295 I317 A346 V347	T273-L323 HydrophobicContact CG2-CD1 4.29Å; V276-L323 HydrophobicContact CG1-CD1 4.35Å; L290-L323 HydrophobicContact CB-CD1 4.41Å; L290-L323 HydrophobicContact CD1-CB 4.43Å; L290-L323 HydrophobicContact CD1-CD1 3.84Å; L290-L323 HydrophobicContact CD2-CB 4.31Å; Q294-L323 HydrophobicContact CG-CD2 4.45Å; L295-L323 HydrophobicContact CD2-CD2 3.85Å; L295-L323 HydrophobicContact CG-CD2 4.04Å; I317-L323 HydrophobicContact CD1-CD1 3.72Å; I317-L323 HydrophobicContact CD1-CD2 4.4Å; I317-L323 HydrophobicContact CD1-CG 4.14Å; I317-L323 HydrophobicContact CG1-CD1 4.09Å; I317-L323 HydrophobicContact CG1-CD2 3.93Å; I317-L323 HydrophobicContact CG1-CG 3.93Å; I317-L323 HydrophobicContact CG2-CG 4.14Å; L323-A346 PolarHBondContact O-N 3Å; L323-V347 HydrophobicContact CB-CG2 3.77Å; L323-V347 PolarHBondContact N-O 3.08Å; L323-V347 PolarHBondContact O-N 2.81Å; L323-V347 VanDerWaalsContact O-N 3.17Å
324	M	98.4	Very high	97.2	Very high	6 Å²	6	48.3 Å²	48.3	3%	0.03	26%	0.26	C	S	.	.			trans	-84.9	163.5	170.6	-60.4	-178.1	62.5	0	0	110.5	S291 N328 Y329 L340 K341	S291-M324 PolarHBondContact N-O 2.96Å; M324-N328 HydrophobicContact CE-CB 3.92Å; M324-Y329 HydrophobicContact SD-CD2 3.94Å; M324-L340 HydrophobicContact CG-CD1 3.97Å; M324-L340 HydrophobicContact SD-CD1 3.78Å; M324-K341 HydrophobicContact CE-CB 4.3Å; M324-K341 HydrophobicContact SD-CB 4.49Å
325	L	98.4	Very high	97.1	Very high	45 Å²	45	52.1 Å²	52.1	24%	0.236	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-73.5	152.2	172.7	-59.4	179.2	0	0	0	111.4	L288 S289 L290 D327 N328 Y329 A346	L288-L325 HydrophobicContact CB-CD2 3.85Å; L288-L325 HydrophobicContact CD1-CD2 4.2Å; L288-L325 HydrophobicContact CD2-CD2 4.27Å; L288-L325 HydrophobicContact CG-CD2 4.33Å; S289-L325 WeakPolarHBondContact O-CA 3.46Å; L290-L325 HydrophobicContact CD2-CD2 4.33Å; L325-D327 VanDerWaalsContact C-N 3.28Å; L325-D327 PolarHBondContact O-N 3.16Å; L325-N328 PolarHBondContact O-N 3.32Å; L325-Y329 PolarHBondContact O-N 3.3Å; L325-Y329 VanDerWaalsContact O-N 3.14Å; L325-A346 HydrophobicContact CD2-CB 3.61Å; L325-A346 HydrophobicContact CG-CB 3.72Å
326	E	98.1	Very high	97.1	Very high	33 Å²	33	52.4 Å²	52.4	15%	0.154	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-49.1	-49.3	171.6	-179.1	61.7	-148.8	0	0	111.3	K259 S289 N328 Y329 P330 Y331	K259-E326 IonicContact NZ-OE2 2.85Å; K259-E326 PolarHBondContact NZ-OE2 2.78Å; S289-E326 PolarHBondContact O-N 3.1Å; E326-N328 PolarHBondContact O-N 3.22Å; E326-N328 VanDerWaalsContact O-N 3.11Å; E326-Y329 CarbonylContact O-C 3.45Å; E326-Y329 PolarHBondContact O-N 2.9Å; E326-Y329 VanDerWaalsContact O-N 3.17Å; E326-P330 WeakPolarHBondContact O-CA 3.47Å; E326-Y331 WeakPolarHBondContact OE1-CB 3.47Å; E326-Y331 PolarHBondContact OE1-N 3.32Å
327	D	97.6	Very high	97.1	Very high	141 Å²	141	61 Å²	61	75%	0.754	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-62	-24.6	-178.2	-67.2	-15.6	0	0	0	114.1	L325	L325-D327 VanDerWaalsContact C-N 3.28Å; L325-D327 PolarHBondContact O-N 3.16Å
328	N	97.3	Very high	97	Very high	96 Å²	96	64.1 Å²	64.1	51%	0.513	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-94.4	-19.6	-178.2	-70	-18.7	0	0	0	112.9	M324 L325 E326	M324-N328 HydrophobicContact CE-CB 3.92Å; L325-N328 PolarHBondContact O-N 3.32Å; E326-N328 PolarHBondContact O-N 3.22Å; E326-N328 VanDerWaalsContact O-N 3.11Å
329	Y	97.8	Very high	96.9	Very high	0 Å²	0	65 Å²	65	0%	0	34%	0.342	C	S	.	.	S	Bend	trans	-145.1	74.7	177	-163	-27.9	0	0	0	108.4	S291 Q293 Q294 D297 M324 L325 E326 H339	S291-Y329 VanDerWaalsContact CB-O 3.25Å; S291-Y329 WeakPolarHBondContact CB-O 3.44Å; S291-Y329 WeakPolarHBondContact OG-CB 3.26Å; S291-Y329 PolarHBondContact OG-O 2.87Å; Q293-Y329 HydrophobicContact CB-CD1 3.68Å; Q293-Y329 HydrophobicContact CB-CE1 3.79Å; Q293-Y329 HydrophobicContact CG-CD1 3.71Å; Q293-Y329 HydrophobicContact CG-CE1 3.37Å; Q294-Y329 HydrophobicContact CB-CD2 3.78Å; Q294-Y329 HydrophobicContact CB-CE2 3.96Å; Q294-Y329 HydrophobicContact CB-CG 4.28Å; Q294-Y329 HydrophobicContact CG-CD2 4.17Å; Q294-Y329 HydrophobicContact CG-CE2 4.15Å; D297-Y329 VanDerWaalsContact CB-OH 3.27Å; D297-Y329 WeakPolarHBondContact CB-OH 3.39Å; D297-Y329 WeakPolarHBondContact OD2-CE1 3.32Å; D297-Y329 PolarHBondContact OD2-OH 3.29Å; M324-Y329 HydrophobicContact SD-CD2 3.94Å; L325-Y329 PolarHBondContact O-N 3.3Å; L325-Y329 VanDerWaalsContact O-N 3.14Å; E326-Y329 CarbonylContact O-C 3.45Å; E326-Y329 PolarHBondContact O-N 2.9Å; E326-Y329 VanDerWaalsContact O-N 3.17Å; Y329-H339 AromaticContact CD1-CE1 3.11Å; Y329-H339 WeakPolarHBondContact CD1-CE1 3.36Å; Y329-H339 AromaticContact CD1-ND1 3.98Å; Y329-H339 AromaticContact CD1-NE2 3.52Å; Y329-H339 AromaticContact CD2-CE1 3.55Å; Y329-H339 AromaticContact CD2-ND1 3.6Å; Y329-H339 AromaticContact CE1-CD2 3.66Å; Y329-H339 AromaticContact CE1-CE1 2.96Å; Y329-H339 WeakPolarHBondContact CE1-CE1 3.08Å; Y329-H339 AromaticContact CE1-ND1 3.68Å; Y329-H339 AromaticContact CE1-NE2 2.95Å; Y329-H339 WeakPolarHBondContact CE1-NE2 3.37Å; Y329-H339 AromaticContact CE2-CE1 3.42Å; Y329-H339 VanDerWaalsContact CE2-CE1 3.42Å; Y329-H339 WeakPolarHBondContact CE2-CE1 3.43Å; Y329-H339 AromaticContact CE2-CG 3.8Å; Y329-H339 AromaticContact CE2-ND1 3.26Å; Y329-H339 VanDerWaalsContact CE2-ND1 3.26Å; Y329-H339 WeakPolarHBondContact CE2-ND1 3.39Å; Y329-H339 AromaticContact CG-CE1 3.4Å; Y329-H339 AromaticContact CG-ND1 3.93Å; Y329-H339 AromaticContact CZ-CD2 3.44Å; Y329-H339 VanDerWaalsContact CZ-CD2 3.44Å; Y329-H339 AromaticContact CZ-CE1 3.11Å; Y329-H339 AromaticContact CZ-CG 3.52Å; Y329-H339 AromaticContact CZ-ND1 3.3Å; Y329-H339 VanDerWaalsContact CZ-ND1 3.3Å; Y329-H339 AromaticContact CZ-NE2 3.24Å; Y329-H339 PolarHBondContact OH-CD2 2.92Å; Y329-H339 PolarHBondContact OH-N 3.14Å; Y329-H339 VanDerWaalsContact OH-N 3.17Å; Y329-H339 PolarHBondContact OH-NE2 3.44Å
330	P	97.7	Very high	96.8	Very high	78 Å²	78	60.6 Å²	60.6	51%	0.506	33%	0.325	S	S	.	.			trans	-66	151.2	-171.3	-22.9	35.2	0	0	0	113.4	Q293 E326	Q293-P330 WeakPolarHBondContact CB-O 3.35Å; Q293-P330 WeakPolarHBondContact CG-O 3.49Å; E326-P330 WeakPolarHBondContact O-CA 3.47Å
331	Y	98.1	Very high	96.7	Very high	42 Å²	42	65.6 Å²	65.6	17%	0.165	35%	0.345	C	S	.	.			trans	-71.6	129.6	175.9	-168.4	-105.2	0	0	0	114.3	N260 Q261 C264 S266 F270 E292 Q293 V296 E326 A333	N260-Y331 WeakPolarHBondContact O-CE1 3.37Å; Q261-Y331 PolarHBondContact O-OH 2.84Å; C264-Y331 WeakPolarHBondContact CB-OH 3.35Å; C264-Y331 PolarHBondContact SG-OH 2.81Å; S266-Y331 PolarHBondContact OG-OH 3.04Å; F270-Y331 HydrophobicContact CE2-CD2 4.4Å; F270-Y331 HydrophobicContact CE2-CE1 4.14Å; F270-Y331 AromaticContact CE2-CE2 3.75Å; F270-Y331 HydrophobicContact CE2-CE2 3.75Å; F270-Y331 AromaticContact CE2-CZ 3.61Å; F270-Y331 HydrophobicContact CZ-CD1 4Å; F270-Y331 HydrophobicContact CZ-CD2 4.03Å; F270-Y331 AromaticContact CZ-CE1 3.77Å; F270-Y331 HydrophobicContact CZ-CE1 3.77Å; F270-Y331 AromaticContact CZ-CE2 3.8Å; F270-Y331 HydrophobicContact CZ-CE2 3.8Å; F270-Y331 HydrophobicContact CZ-CG 4.12Å; F270-Y331 AromaticContact CZ-CZ 3.67Å; E292-Y331 HydrophobicContact CB-CD2 3.94Å; E292-Y331 HydrophobicContact CB-CE2 4.21Å; Q293-Y331 HydrophobicContact CB-CD2 4.22Å; V296-Y331 HydrophobicContact CG2-CE2 4.3Å; E326-Y331 WeakPolarHBondContact OE1-CB 3.47Å; E326-Y331 PolarHBondContact OE1-N 3.32Å; Y331-A333 HydrophobicContact CD1-CB 4.33Å; Y331-A333 HydrophobicContact CE1-CB 3.54Å
332	D	96.1	Very high	96.4	Very high	84 Å²	84	68.9 Å²	68.9	45%	0.449	36%	0.356	S	S	.	.			trans	-130.1	11.6	-179.6	-157	13	0	0	0	113.5	K334	D332-K334 PolarHBondContact O-N 3.33Å; D332-K334 WeakPolarHBondContact OD2-CE 3.36Å; D332-K334 IonicContact OD2-NZ 2.7Å; D332-K334 PolarHBondContact OD2-NZ 3.32Å
333	A	95.7	Very high	96.1	Very high	33 Å²	33	75.9 Å²	75.9	27%	0.273	39%	0.394	S	S	.	.	S	Bend	trans	51.5	36.4	169.8	0	0	0	0	0	115	C264 Y331	C264-A333 HydrophobicContact CB-CB 3.86Å; C264-A333 WeakPolarHBondContact CB-O 3.3Å; Y331-A333 HydrophobicContact CD1-CB 4.33Å; Y331-A333 HydrophobicContact CE1-CB 3.54Å
334	K	95.6	Very high	95.9	Very high	92 Å²	92	76.8 Å²	76.8	40%	0.4	40%	0.403	S	S	.	.	S	Bend	trans	-153.7	156.9	178.2	70.9	-161.2	-169.9	-165.6	0	110.1	Q293 C305 D332 E336	Q293-K334 PolarHBondContact NE2-O 2.9Å; C305-K334 VanDerWaalsContact SG-CA 3.53Å; D332-K334 PolarHBondContact O-N 3.33Å; D332-K334 WeakPolarHBondContact OD2-CE 3.36Å; D332-K334 IonicContact OD2-NZ 2.7Å; D332-K334 PolarHBondContact OD2-NZ 3.32Å; K334-E336 HydrophobicContact CD-CG 4.38Å; K334-E336 WeakPolarHBondContact CE-OE1 3.25Å; K334-E336 HydrophobicContact CG-CG 3.77Å; K334-E336 IonicContact NZ-OE1 3.3Å; K334-E336 PolarHBondContact NZ-OE1 2.89Å; K334-E336 VanDerWaalsContact NZ-OE1 3.15Å; K334-E336 PolarHBondContact O-N 3.41Å
335	N	94.6	Very high	95.8	Very high	81 Å²	81	78.8 Å²	78.8	43%	0.433	42%	0.416	S	S	.	.			trans	-75.6	122.8	174.8	-63.8	-25.7	0	0	0	109.6	G304 C305	G304-N335 WeakPolarHBondContact CA-OD1 3.47Å; C305-N335 PolarHBondContact N-OD1 3.34Å
336	E	96.2	Very high	95.7	Very high	79 Å²	79	78.2 Å²	78.2	37%	0.369	42%	0.418	S	S	.	.			trans	-124.3	-175.4	175.9	-57.8	-167.1	109.9	0	0	111.2	D297 K334	D297-E336 WeakPolarHBondContact OD1-CA 3.35Å; D297-E336 PolarHBondContact OD1-N 2.99Å; K334-E336 HydrophobicContact CD-CG 4.38Å; K334-E336 WeakPolarHBondContact CE-OE1 3.25Å; K334-E336 HydrophobicContact CG-CG 3.77Å; K334-E336 IonicContact NZ-OE1 3.3Å; K334-E336 PolarHBondContact NZ-OE1 2.89Å; K334-E336 VanDerWaalsContact NZ-OE1 3.15Å; K334-E336 PolarHBondContact O-N 3.41Å
337	K	96.6	Very high	95.7	Very high	186 Å²	186	76.8 Å²	76.8	81%	0.809	41%	0.411	S	S	*	.			trans	-79.8	131.2	171.4	-70.2	-177	179.2	179.6	0	108.6	H339	K337-H339 PolarHBondContact O-N 3.18Å; K337-H339 VanDerWaalsContact O-N 3.12Å
338	C	97.1	Very high	95.7	Very high	67 Å²	67	75.1 Å²	75.1	45%	0.453	40%	0.395	S	S	.	.			trans	-49	120.7	170.5	-179.7	0	0	0	0	111.5	D297 C298	D297-C338 WeakPolarHBondContact O-CB 3.25Å; C298-C338 HydrophobicContact CB-CB 3.83Å; C298-C338 WeakPolarHBondContact CB-SG 3.36Å; C298-C338 WeakPolarHBondContact SG-CA 3.27Å; C298-C338 WeakPolarHBondContact SG-CB 3.39Å; C298-C338 CovalentContact SG-SG 2.03Å; C298-C338 PolarHBondContact SG-SG 3.21Å
339	H	94.4	Very high	95.7	Very high	90 Å²	90	70.9 Å²	70.9	42%	0.417	37%	0.372	S	S	.	.			trans	-123.7	33.6	176	65.3	69.9	0	0	0	112.2	Y329 K337 K341	Y329-H339 AromaticContact CD1-CE1 3.11Å; Y329-H339 WeakPolarHBondContact CD1-CE1 3.36Å; Y329-H339 AromaticContact CD1-ND1 3.98Å; Y329-H339 AromaticContact CD1-NE2 3.52Å; Y329-H339 AromaticContact CD2-CE1 3.55Å; Y329-H339 AromaticContact CD2-ND1 3.6Å; Y329-H339 AromaticContact CE1-CD2 3.66Å; Y329-H339 AromaticContact CE1-CE1 2.96Å; Y329-H339 WeakPolarHBondContact CE1-CE1 3.08Å; Y329-H339 AromaticContact CE1-ND1 3.68Å; Y329-H339 AromaticContact CE1-NE2 2.95Å; Y329-H339 WeakPolarHBondContact CE1-NE2 3.37Å; Y329-H339 AromaticContact CE2-CE1 3.42Å; Y329-H339 VanDerWaalsContact CE2-CE1 3.42Å; Y329-H339 WeakPolarHBondContact CE2-CE1 3.43Å; Y329-H339 AromaticContact CE2-CG 3.8Å; Y329-H339 AromaticContact CE2-ND1 3.26Å; Y329-H339 VanDerWaalsContact CE2-ND1 3.26Å; Y329-H339 WeakPolarHBondContact CE2-ND1 3.39Å; Y329-H339 AromaticContact CG-CE1 3.4Å; Y329-H339 AromaticContact CG-ND1 3.93Å; Y329-H339 AromaticContact CZ-CD2 3.44Å; Y329-H339 VanDerWaalsContact CZ-CD2 3.44Å; Y329-H339 AromaticContact CZ-CE1 3.11Å; Y329-H339 AromaticContact CZ-CG 3.52Å; Y329-H339 AromaticContact CZ-ND1 3.3Å; Y329-H339 VanDerWaalsContact CZ-ND1 3.3Å; Y329-H339 AromaticContact CZ-NE2 3.24Å; Y329-H339 PolarHBondContact OH-CD2 2.92Å; Y329-H339 PolarHBondContact OH-N 3.14Å; Y329-H339 VanDerWaalsContact OH-N 3.17Å; Y329-H339 PolarHBondContact OH-NE2 3.44Å; K337-H339 PolarHBondContact O-N 3.18Å; K337-H339 VanDerWaalsContact O-N 3.12Å; H339-K341 PolarHBondContact O-N 2.97Å
340	L	95.1	Very high	95.7	Very high	42 Å²	42	73.2 Å²	73.2	22%	0.22	39%	0.385	C	S	.	.			trans	-50.7	127.5	170.1	171.2	61.1	0	0	0	110.5	M320 M324 V345	M320-L340 HydrophobicContact CB-CD2 3.82Å; M320-L340 HydrophobicContact CG-CD2 3.92Å; M320-L340 HydrophobicContact SD-CD2 4.04Å; M324-L340 HydrophobicContact CG-CD1 3.97Å; M324-L340 HydrophobicContact SD-CD1 3.78Å; L340-V345 HydrophobicContact CD1-CG2 4.15Å
341	K	93.5	Very high	95.6	Very high	135 Å²	135	71.3 Å²	71.3	59%	0.587	37%	0.373	S	S	*	.			trans	-109.2	115.3	170.4	-63.1	-177.8	-176.5	171.5	0	108.4	M324 H339 D343 G344	M324-K341 HydrophobicContact CE-CB 4.3Å; M324-K341 HydrophobicContact SD-CB 4.49Å; H339-K341 PolarHBondContact O-N 2.97Å; K341-D343 WeakPolarHBondContact CB-OD1 3.37Å; K341-D343 PolarHBondContact O-N 3.3Å; K341-G344 WeakPolarHBondContact O-CA 3.45Å; K341-G344 PolarHBondContact O-N 3.42Å
342	T	89.6	Confident	95.4	Very high	116 Å²	116	71.2 Å²	71.2	71%	0.712	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-63.6	-28.7	-173.4	49.7	0	0	0	0	113.2	G344	T342-G344 VanDerWaalsContact C-N 3.26Å; T342-G344 PolarHBondContact O-N 2.83Å
343	D	91.8	Very high	95.3	Very high	147 Å²	147	68.1 Å²	68.1	79%	0.786	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-75.3	-12	172.7	62.5	-27.6	0	0	0	113.6	K341	K341-D343 WeakPolarHBondContact CB-OD1 3.37Å; K341-D343 PolarHBondContact O-N 3.3Å
344	G	93.3	Very high	95.1	Very high	20 Å²	20	68.6 Å²	68.6	21%	0.206	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-96.5	1.2	176.9	0	0	0	0	0	115.1	K341 T342 A346	K341-G344 WeakPolarHBondContact O-CA 3.45Å; K341-G344 PolarHBondContact O-N 3.42Å; T342-G344 VanDerWaalsContact C-N 3.26Å; T342-G344 PolarHBondContact O-N 2.83Å; G344-A346 PolarHBondContact O-N 2.83Å
345	V	97.1	Very high	95	Very high	47 Å²	47	64.8 Å²	64.8	29%	0.285	35%	0.345	S	S	.	.			trans	-65.3	124.8	178.3	172.1	0	0	0	0	110.1	L340 V347	L340-V345 HydrophobicContact CD1-CG2 4.15Å; V345-V347 WeakPolarHBondContact CG1-O 3.31Å
346	A	97.5	Very high	94.8	Very high	34 Å²	34	61.9 Å²	61.9	28%	0.281	33%	0.33	S	S	.	.			trans	-102.1	-31.3	-176.7	0	0	0	0	0	113.3	L323 L325 G344	L323-A346 PolarHBondContact O-N 3Å; L325-A346 HydrophobicContact CD2-CB 3.61Å; L325-A346 HydrophobicContact CG-CB 3.72Å; G344-A346 PolarHBondContact O-N 2.83Å
347	V	97.8	Very high	94.6	Very high	2 Å²	2	63.7 Å²	63.7	1%	0.012	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-139.3	158.4	-178.1	-54.4	0	0	0	0	111.3	V276 W280 L288 L290 G322 L323 V345	V276-V347 HydrophobicContact CG1-CG2 4.04Å; W280-V347 HydrophobicContact CB-CG1 4.47Å; W280-V347 HydrophobicContact CD2-CB 3.74Å; W280-V347 HydrophobicContact CD2-CG1 3.51Å; W280-V347 HydrophobicContact CE3-CB 3.65Å; W280-V347 HydrophobicContact CE3-CG1 3.99Å; W280-V347 HydrophobicContact CG-CB 4.27Å; W280-V347 HydrophobicContact CG-CG1 3.7Å; W280-V347 HydrophobicContact CH2-CB 4.34Å; W280-V347 HydrophobicContact CZ2-CB 4.38Å; W280-V347 HydrophobicContact CZ2-CG1 4.14Å; W280-V347 HydrophobicContact CZ3-CB 3.99Å; L288-V347 HydrophobicContact CD1-CG1 3.66Å; L290-V347 HydrophobicContact CD1-CG2 3.65Å; L290-V347 HydrophobicContact CD2-CB 4.33Å; L290-V347 HydrophobicContact CD2-CG1 3.85Å; L290-V347 HydrophobicContact CD2-CG2 3.48Å; L290-V347 VanDerWaalsContact CD2-CG2 3.48Å; L290-V347 HydrophobicContact CG-CG2 4.22Å; G322-V347 CarbonylContact C-O 3.57Å; G322-V347 WeakPolarHBondContact CA-O 2.96Å; L323-V347 HydrophobicContact CB-CG2 3.77Å; L323-V347 PolarHBondContact N-O 3.08Å; L323-V347 PolarHBondContact O-N 2.81Å; L323-V347 VanDerWaalsContact O-N 3.17Å; V345-V347 WeakPolarHBondContact CG1-O 3.31Å
348	Y	97.3	Very high	94.4	Very high	106 Å²	106	58.6 Å²	58.6	42%	0.416	32%	0.32	S	S	.	.			trans	-135.5	163.5	172.9	66.1	-92.7	0	0	0	110.6	W280 I456	W280-Y348 AromaticContact CH2-CD1 3.72Å; W280-Y348 HydrophobicContact CH2-CD1 3.72Å; W280-Y348 AromaticContact CH2-CE1 3.61Å; W280-Y348 HydrophobicContact CH2-CE1 3.61Å; W280-Y348 AromaticContact CZ3-CD1 3.67Å; W280-Y348 HydrophobicContact CZ3-CD1 3.67Å; W280-Y348 AromaticContact CZ3-CE1 3.74Å; W280-Y348 HydrophobicContact CZ3-CE1 3.74Å; W280-Y348 HydrophobicContact CZ3-CG 4.11Å; W280-Y348 WeakPolarHBondContact CZ3-O 3.42Å; Y348-I456 HydrophobicContact CE2-CG2 4.29Å
349	I	98	Very high	94.3	Very high	8 Å²	8	56 Å²	56	4%	0.041	30%	0.301	C	S	.	.			trans	-125.9	150.2	167.3	71.4	-178.9	0	0	0	109	V276 Y314 I317 I318 A454 I456	V276-I349 HydrophobicContact CB-CG2 4.41Å; V276-I349 HydrophobicContact CG1-CG2 3.67Å; V276-I349 HydrophobicContact CG2-CG2 3.9Å; Y314-I349 HydrophobicContact CD1-CD1 3.7Å; Y314-I349 HydrophobicContact CG-CD1 4.08Å; I317-I349 HydrophobicContact CB-CD1 4.08Å; I317-I349 HydrophobicContact CB-CG1 4.37Å; I317-I349 HydrophobicContact CD1-CD1 4.35Å; I317-I349 HydrophobicContact CG2-CD1 4Å; I317-I349 HydrophobicContact CG2-CG1 3.84Å; I318-I349 HydrophobicContact CD1-CD1 4.49Å; I318-I349 HydrophobicContact CD1-CG1 4.26Å; I318-I349 HydrophobicContact CG1-CD1 4.21Å; I318-I349 HydrophobicContact CG1-CG1 3.67Å; I349-A454 HydrophobicContact CB-CB 4.22Å; I349-A454 HydrophobicContact CD1-CB 4.03Å; I349-A454 HydrophobicContact CG2-CB 3.82Å; I349-I456 HydrophobicContact CB-CG1 4.43Å; I349-I456 HydrophobicContact CG2-CD1 4.45Å; I349-I456 HydrophobicContact CG2-CG1 4.17Å
350	N	96.5	Very high	94.3	Very high	48 Å²	48	55 Å²	55	26%	0.257	30%	0.302	S	S	.	.	S	Bend	trans	-92.8	-34	-178.7	-62.8	97	0	0	0	112.5	L455 I456 Y457	N350-L455 PolarHBondContact N-O 3.44Å; N350-I456 WeakPolarHBondContact OD1-CA 3.41Å; N350-Y457 HydrophobicContact CB-CD1 3.71Å; N350-Y457 HydrophobicContact CB-CE1 3.17Å; N350-Y457 HydrophobicContact CB-CE2 4.09Å; N350-Y457 HydrophobicContact CB-CG 4.36Å; N350-Y457 PolarHBondContact OD1-N 2.85Å; N350-Y457 VanDerWaalsContact OD1-N 3.11Å
351	S	95.6	Very high	94.2	Very high	39 Å²	39	54.6 Å²	54.6	27%	0.273	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	-176.7	178.9	60.8	0	0	0	0	110.4	L455	S351-L455 PolarHBondContact N-O 2.95Å; S351-L455 PolarHBondContact O-N 2.98Å
352	S	94.9	Very high	94.3	Very high	39 Å²	39	48.2 Å²	48.2	27%	0.273	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	162	170.4	60	0	0	0	0	110.8	S453	S352-S453 CarbonylContact C-O 3.43Å; S352-S453 VanDerWaalsContact CA-O 3.3Å; S352-S453 WeakPolarHBondContact CA-O 3.16Å
353	V	93.3	Very high	94.6	Very high	20 Å²	20	42.8 Å²	42.8	12%	0.121	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	148.4	178.4	-69	0	0	0	0	111.4	L355 W365 T452 S453 L455	V353-L355 HydrophobicContact CG2-CD2 3.81Å; V353-W365 HydrophobicContact CG2-CH2 3.57Å; V353-W365 HydrophobicContact CG2-CZ2 3.84Å; V353-W365 HydrophobicContact CG2-CZ3 4.41Å; V353-T452 WeakPolarHBondContact O-CA 3.45Å; V353-T452 WeakPolarHBondContact O-CB 3.49Å; V353-T452 PolarHBondContact O-OG1 3.1Å; V353-S453 PolarHBondContact N-O 3.34Å; V353-S453 PolarHBondContact O-N 3.31Å; V353-S453 VanDerWaalsContact O-N 3.13Å; V353-L455 HydrophobicContact CG1-CD1 3.49Å; V353-L455 VanDerWaalsContact CG1-CD1 3.49Å; V353-L455 HydrophobicContact CG1-CG 4.1Å; V353-L455 HydrophobicContact CG2-CD2 4.29Å; V353-L455 HydrophobicContact CG2-CG 4.35Å
354	N	92.3	Very high	94.7	Very high	42 Å²	42	35.8 Å²	35.8	23%	0.225	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	133	162.2	-67.1	-27.6	0	0	0	108.3	P233 T234	P233-N354 WeakPolarHBondContact CA-O 3.37Å; T234-N354 PolarHBondContact N-O 3.05Å
355	L	91.8	Very high	94.8	Very high	13 Å²	13	35.3 Å²	35.3	7%	0.068	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-95.6	165	-179.7	-55.7	-179.2	0	0	0	110.6	V353 L362 W365 I372 A451	V353-L355 HydrophobicContact CG2-CD2 3.81Å; L355-L362 HydrophobicContact CB-CD2 3.66Å; L355-L362 HydrophobicContact CD1-CD2 3.9Å; L355-L362 HydrophobicContact CG-CD2 4.45Å; L355-W365 HydrophobicContact CD1-CB 4.35Å; L355-W365 HydrophobicContact CD1-CD2 3.81Å; L355-W365 HydrophobicContact CD1-CE3 4.47Å; L355-W365 HydrophobicContact CD1-CG 3.72Å; L355-W365 HydrophobicContact CD2-CD2 3.58Å; L355-W365 HydrophobicContact CD2-CE3 3.44Å; L355-W365 VanDerWaalsContact CD2-CE3 3.44Å; L355-W365 HydrophobicContact CD2-CG 4.31Å; L355-W365 HydrophobicContact CD2-CH2 3.83Å; L355-W365 HydrophobicContact CD2-CZ2 3.96Å; L355-W365 HydrophobicContact CD2-CZ3 3.57Å; L355-W365 HydrophobicContact CG-CD2 4.37Å; L355-I372 HydrophobicContact CD1-CB 4.48Å; L355-I372 HydrophobicContact CD1-CD1 3.72Å; L355-I372 HydrophobicContact CD1-CG1 3.94Å; L355-I372 HydrophobicContact CD1-CG2 3.71Å; L355-A451 HydrophobicContact CB-CB 4.02Å; L355-A451 PolarHBondContact N-O 2.93Å
356	T	90.7	Very high	94.7	Very high	20 Å²	20	33 Å²	33	12%	0.123	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-69.9	166.5	177.5	73.2	0	0	0	0	111.5	P233 T234 D358 E361 L362	P233-T356 HydrophobicContact CB-CG2 3.9Å; T234-T356 WeakPolarHBondContact O-CG2 3.44Å; T356-D358 VanDerWaalsContact C-N 3.27Å; T356-D358 PolarHBondContact OG1-N 3.17Å; T356-E361 VanDerWaalsContact CB-OE2 3.32Å; T356-E361 WeakPolarHBondContact CB-OE2 3.36Å; T356-E361 WeakPolarHBondContact CG2-OE2 3.46Å; T356-E361 PolarHBondContact OG1-OE2 3.45Å; T356-L362 WeakPolarHBondContact O-CD2 3.16Å
357	Q	92	Very high	94.6	Very high	117 Å²	117	35.4 Å²	35.4	55%	0.547	18%	0.181	S	C	.	.	S	Bend	trans	-86.1	-0.2	173.5	-58.6	-175.5	-18.3	0	0	112.4	E359 N448 T449	Q357-E359 PolarHBondContact O-N 2.85Å; Q357-N448 WeakPolarHBondContact CA-O 3.22Å; Q357-N448 WeakPolarHBondContact CG-O 3.28Å; Q357-N448 PolarHBondContact O-ND2 3.26Å; Q357-T449 PolarHBondContact NE2-O 3.4Å; Q357-T449 VanDerWaalsContact NE2-O 3.11Å
358	D	93.1	Very high	94.3	Very high	78 Å²	78	38.6 Å²	38.6	42%	0.417	20%	0.195	S	C	.	.			trans	-76.7	112.3	178.9	-170.6	-49.8	0	0	0	109.6	T356 T360 E361 L362	T356-D358 VanDerWaalsContact C-N 3.27Å; T356-D358 PolarHBondContact OG1-N 3.17Å; D358-T360 PolarHBondContact O-N 3.05Å; D358-T360 WeakPolarHBondContact OD1-CA 3.35Å; D358-T360 WeakPolarHBondContact OD1-CB 3.43Å; D358-T360 PolarHBondContact OD1-N 3.31Å; D358-T360 PolarHBondContact OD1-OG1 2.89Å; D358-E361 HydrophobicContact CB-CB 4.11Å; D358-E361 HydrophobicContact CB-CG 3.93Å; D358-E361 PolarHBondContact O-N 2.89Å; D358-E361 PolarHBondContact OD1-N 3.08Å; D358-L362 WeakPolarHBondContact O-CG 3.44Å; D358-L362 PolarHBondContact O-N 3.04Å
359	E	95.6	Very high	94.1	Very high	14 Å²	14	34.9 Å²	34.9	7%	0.065	18%	0.183	C	C	.	.	H	α-helix	trans	-63.7	-21.3	-178	-72.7	-173.1	102.5	0	0	113.7	Q357 A363 W420 R440 G441 D442 G443 N448	Q357-E359 PolarHBondContact O-N 2.85Å; E359-A363 WeakPolarHBondContact O-CB 3.3Å; E359-A363 PolarHBondContact O-N 3.4Å; E359-A363 VanDerWaalsContact O-N 3.09Å; E359-W420 HydrophobicContact CB-CZ2 3.8Å; E359-W420 HydrophobicContact CG-CZ2 3.97Å; E359-W420 VanDerWaalsContact O-CH2 3.31Å; E359-W420 WeakPolarHBondContact O-CH2 3.47Å; E359-W420 PolarHBondContact OE1-NE1 3.2Å; E359-R440 HydrophobicContact CB-CG 4.26Å; E359-G441 VanDerWaalsContact CD-N 3.3Å; E359-G441 PolarHBondContact OE1-N 3Å; E359-G441 WeakPolarHBondContact OE2-CA 3.33Å; E359-G441 PolarHBondContact OE2-N 3.12Å; E359-D442 PolarHBondContact OE2-N 2.83Å; E359-G443 PolarHBondContact OE2-N 3.44Å; E359-N448 HydrophobicContact CG-CB 3.72Å
360	T	93.6	Very high	94	Very high	69 Å²	69	34.5 Å²	34.5	42%	0.423	18%	0.181	S	C	.	.	H	α-helix	trans	-72.8	-41.2	172.7	-33	0	0	0	0	110.5	V240 D358 A363 A364	V240-T360 HydrophobicContact CG1-CG2 3.29Å; D358-T360 PolarHBondContact O-N 3.05Å; D358-T360 WeakPolarHBondContact OD1-CA 3.35Å; D358-T360 WeakPolarHBondContact OD1-CB 3.43Å; D358-T360 PolarHBondContact OD1-N 3.31Å; D358-T360 PolarHBondContact OD1-OG1 2.89Å; T360-A363 PolarHBondContact O-N 3.49Å; T360-A364 PolarHBondContact O-N 3.38Å
361	E	93	Very high	94.1	Very high	33 Å²	33	32.2 Å²	32.2	15%	0.154	17%	0.169	C	C	.	.	H	α-helix	trans	-69	-37	174.3	-65.4	-167.2	170.9	0	0	112.1	S235 V240 T356 D358 A363 A364 W365	S235-E361 WeakPolarHBondContact CA-OE2 3.4Å; S235-E361 WeakPolarHBondContact CB-OE2 3.4Å; S235-E361 VanDerWaalsContact OG-CD 3.23Å; S235-E361 PolarHBondContact OG-OE1 3.04Å; S235-E361 PolarHBondContact OG-OE2 3.35Å; V240-E361 HydrophobicContact CG2-CG 3.87Å; T356-E361 VanDerWaalsContact CB-OE2 3.32Å; T356-E361 WeakPolarHBondContact CB-OE2 3.36Å; T356-E361 WeakPolarHBondContact CG2-OE2 3.46Å; T356-E361 PolarHBondContact OG1-OE2 3.45Å; D358-E361 HydrophobicContact CB-CB 4.11Å; D358-E361 HydrophobicContact CB-CG 3.93Å; D358-E361 PolarHBondContact O-N 2.89Å; D358-E361 PolarHBondContact OD1-N 3.08Å; E361-A363 VanDerWaalsContact C-N 3.32Å; E361-A363 PolarHBondContact O-N 3.24Å; E361-A364 WeakPolarHBondContact O-CB 3.33Å; E361-A364 PolarHBondContact O-N 2.8Å; E361-W365 PolarHBondContact O-N 2.04Å
362	L	95.4	Very high	94.2	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-62.7	-39.6	173.3	-65.6	179.1	0	0	0	111.7	L355 T356 D358 A364 W365 L366 I372 W420 N448 A451	L355-L362 HydrophobicContact CB-CD2 3.66Å; L355-L362 HydrophobicContact CD1-CD2 3.9Å; L355-L362 HydrophobicContact CG-CD2 4.45Å; T356-L362 WeakPolarHBondContact O-CD2 3.16Å; D358-L362 WeakPolarHBondContact O-CG 3.44Å; D358-L362 PolarHBondContact O-N 3.04Å; L362-A364 VanDerWaalsContact C-N 3.32Å; L362-W365 PolarHBondContact O-N 3.24Å; L362-L366 PolarHBondContact O-N 2.84Å; L362-I372 HydrophobicContact CB-CD1 4.18Å; L362-I372 HydrophobicContact CD2-CD1 4.02Å; L362-I372 WeakPolarHBondContact O-CD1 3.4Å; L362-W420 HydrophobicContact CB-CH2 3.91Å; L362-W420 HydrophobicContact CB-CZ2 4.23Å; L362-N448 HydrophobicContact CD1-CB 3.84Å; L362-A451 HydrophobicContact CD1-CB 4.28Å; L362-A451 HydrophobicContact CD2-CB 3.66Å
363	A	96.1	Very high	94.3	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.008	14%	0.143	C	C	.	.	H	α-helix	trans	-66	-38.1	174.5	0	0	0	0	0	111.3	I243 E359 T360 E361 L366 Y367 Y410 W420	I243-A363 HydrophobicContact CD1-CB 3.63Å; E359-A363 WeakPolarHBondContact O-CB 3.3Å; E359-A363 PolarHBondContact O-N 3.4Å; E359-A363 VanDerWaalsContact O-N 3.09Å; T360-A363 PolarHBondContact O-N 3.49Å; E361-A363 VanDerWaalsContact C-N 3.32Å; E361-A363 PolarHBondContact O-N 3.24Å; A363-L366 PolarHBondContact O-N 3.47Å; A363-Y367 PolarHBondContact O-N 3.16Å; A363-Y410 HydrophobicContact CB-CD1 3.91Å; A363-Y410 HydrophobicContact CB-CE1 3.86Å; A363-Y410 HydrophobicContact CB-CG 4.27Å; A363-Y410 WeakPolarHBondContact O-CE1 3.43Å; A363-W420 HydrophobicContact CB-CH2 3.87Å; A363-W420 HydrophobicContact CB-CZ3 4.08Å
364	A	94.7	Very high	94.5	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-64.4	-41.5	174.3	0	0	0	0	0	112.2	L236 V240 I243 T360 E361 L362 Y367 H368	L236-A364 HydrophobicContact CD1-CB 3.95Å; V240-A364 HydrophobicContact CG2-CB 4.47Å; I243-A364 HydrophobicContact CD1-CB 4.44Å; I243-A364 HydrophobicContact CG2-CB 4.15Å; T360-A364 PolarHBondContact O-N 3.38Å; E361-A364 WeakPolarHBondContact O-CB 3.33Å; E361-A364 PolarHBondContact O-N 2.8Å; L362-A364 VanDerWaalsContact C-N 3.32Å; A364-Y367 PolarHBondContact O-N 3.29Å; A364-H368 PolarHBondContact O-CD2 3.27Å; A364-H368 PolarHBondContact O-N 3.25Å
365	W	94.3	Very high	94.6	Very high	10 Å²	10	25.6 Å²	25.6	4%	0.038	13%	0.126	C	C	.	.	H	α-helix	trans	-62.4	-45.4	174.2	-177.2	-77.4	0	0	0	112.1	T234 L236 V353 L355 E361 L362 Y367 H368 N369 S370 I372 L455	T234-W365 HydrophobicContact CG2-CZ3 4.05Å; L236-W365 HydrophobicContact CD1-CB 3.93Å; L236-W365 HydrophobicContact CD1-CE3 4.16Å; L236-W365 VanDerWaalsContact CD1-N 3.35Å; L236-W365 HydrophobicContact CD2-CE3 4.13Å; L236-W365 HydrophobicContact CD2-CZ3 4.39Å; L236-W365 HydrophobicContact CG-CE3 4.18Å; V353-W365 HydrophobicContact CG2-CH2 3.57Å; V353-W365 HydrophobicContact CG2-CZ2 3.84Å; V353-W365 HydrophobicContact CG2-CZ3 4.41Å; L355-W365 HydrophobicContact CD1-CB 4.35Å; L355-W365 HydrophobicContact CD1-CD2 3.81Å; L355-W365 HydrophobicContact CD1-CE3 4.47Å; L355-W365 HydrophobicContact CD1-CG 3.72Å; L355-W365 HydrophobicContact CD2-CD2 3.58Å; L355-W365 HydrophobicContact CD2-CE3 3.44Å; L355-W365 VanDerWaalsContact CD2-CE3 3.44Å; L355-W365 HydrophobicContact CD2-CG 4.31Å; L355-W365 HydrophobicContact CD2-CH2 3.83Å; L355-W365 HydrophobicContact CD2-CZ2 3.96Å; L355-W365 HydrophobicContact CD2-CZ3 3.57Å; L355-W365 HydrophobicContact CG-CD2 4.37Å; E361-W365 PolarHBondContact O-N 2.04Å; L362-W365 PolarHBondContact O-N 3.24Å; W365-Y367 PolarHBondContact O-N 2.82Å; W365-H368 PolarHBondContact O-N 2.95Å; W365-N369 HydrophobicContact CD2-CB 4.13Å; W365-N369 VanDerWaalsContact CE3-ND2 3.33Å; W365-N369 HydrophobicContact CG-CB 4.33Å; W365-N369 WeakPolarHBondContact CH2-ND2 3.5Å; W365-N369 HydrophobicContact CZ2-CB 4.19Å; W365-N369 VanDerWaalsContact CZ2-ND2 3.34Å; W365-N369 WeakPolarHBondContact CZ2-ND2 3.31Å; W365-N369 WeakPolarHBondContact CZ3-ND2 3.43Å; W365-N369 WeakPolarHBondContact O-CA 3.49Å; W365-N369 WeakPolarHBondContact O-CB 3.12Å; W365-N369 PolarHBondContact O-N 2.91Å; W365-S370 PolarHBondContact O-N 2.9Å; W365-I372 HydrophobicContact CB-CD1 4.06Å; W365-I372 VanDerWaalsContact CD1-CG1 3.43Å; W365-I372 HydrophobicContact CG-CD1 4.05Å; W365-I372 HydrophobicContact CG-CG1 4.33Å; W365-L455 HydrophobicContact CH2-CD2 3.96Å; W365-L455 HydrophobicContact CZ2-CD2 4.1Å
366	L	95.2	Very high	94.7	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-55.3	-43	174.7	-83.9	160.4	0	0	0	111.4	F247 W249 L362 A363 S370 I372 L407 Y410 W420	F247-L366 WeakPolarHBondContact CE1-O 3.49Å; W249-L366 VanDerWaalsContact CE2-O 3.31Å; W249-L366 WeakPolarHBondContact CZ2-O 3.44Å; W249-L366 PolarHBondContact NE1-O 2.8Å; L362-L366 PolarHBondContact O-N 2.84Å; A363-L366 PolarHBondContact O-N 3.47Å; L366-S370 WeakPolarHBondContact CA-O 3.31Å; L366-I372 HydrophobicContact CD1-CD1 4.18Å; L366-I372 HydrophobicContact CD2-CD1 4.36Å; L366-I372 HydrophobicContact CD2-CG1 4.07Å; L366-I372 HydrophobicContact CG-CD1 3.7Å; L366-I372 HydrophobicContact CG-CG1 3.96Å; L366-L407 HydrophobicContact CD1-CB 3.95Å; L366-L407 HydrophobicContact CD1-CD1 4.28Å; L366-L407 HydrophobicContact CD2-CB 4.17Å; L366-L407 VanDerWaalsContact CD2-O 3.31Å; L366-L407 WeakPolarHBondContact CD2-O 3.43Å; L366-Y410 HydrophobicContact CB-CD1 4.23Å; L366-Y410 HydrophobicContact CB-CE1 4.08Å; L366-Y410 HydrophobicContact CD1-CD1 4.16Å; L366-W420 HydrophobicContact CD1-CE3 3.93Å; L366-W420 HydrophobicContact CD1-CH2 4.33Å; L366-W420 HydrophobicContact CD1-CZ3 3.45Å; L366-W420 VanDerWaalsContact CD1-CZ3 3.45Å
367	Y	95.3	Very high	94.9	Very high	83 Å²	83	24.7 Å²	24.7	33%	0.325	12%	0.121	S	C	.	.	H	α-helix	trans	-70.7	-49	-178.8	178.1	-115.4	0	0	0	113.7	I243 P244 F247 A363 A364 W365	I243-Y367 HydrophobicContact CB-CD1 4.04Å; I243-Y367 HydrophobicContact CB-CG 4.19Å; I243-Y367 HydrophobicContact CG2-CD1 3.47Å; I243-Y367 VanDerWaalsContact CG2-CD1 3.47Å; I243-Y367 HydrophobicContact CG2-CE1 4.29Å; I243-Y367 HydrophobicContact CG2-CG 3.92Å; P244-Y367 VanDerWaalsContact CD-CE2 3.44Å; P244-Y367 HydrophobicContact CG-CD2 3.88Å; P244-Y367 HydrophobicContact CG-CE2 3.77Å; F247-Y367 AromaticContact CD2-CD2 3.53Å; F247-Y367 HydrophobicContact CD2-CD2 3.53Å; F247-Y367 HydrophobicContact CD2-CE2 4Å; F247-Y367 AromaticContact CE2-CD2 3.62Å; F247-Y367 HydrophobicContact CE2-CD2 3.62Å; F247-Y367 AromaticContact CE2-CE2 3.99Å; F247-Y367 HydrophobicContact CE2-CE2 3.99Å; F247-Y367 HydrophobicContact CG-CD2 4Å; F247-Y367 HydrophobicContact CZ-CD2 4.17Å; A363-Y367 PolarHBondContact O-N 3.16Å; A364-Y367 PolarHBondContact O-N 3.29Å; W365-Y367 PolarHBondContact O-N 2.82Å
368	H	92.1	Very high	95.1	Very high	69 Å²	69	19.1 Å²	19.1	32%	0.319	10%	0.095	S	C	.	.	H	α-helix	trans	-84.6	-32	-172.2	-71.9	-62.3	0	0	0	113.8	E239 A364 W365	E239-H368 IonicContact OE2-CD2 3.92Å; A364-H368 PolarHBondContact O-CD2 3.27Å; A364-H368 PolarHBondContact O-N 3.25Å; W365-H368 PolarHBondContact O-N 2.95Å
369	N	92.9	Very high	95.1	Very high	29 Å²	29	17.2 Å²	17.2	16%	0.155	8%	0.084	C	C	.	.	S	Bend	trans	-107	-99.3	-179.1	-70.4	-19.8	0	0	0	109.3	W249 R282 W365	W249-N369 WeakPolarHBondContact CZ2-O 3.27Å; R282-N369 WeakPolarHBondContact CD-O 3.29Å; W365-N369 HydrophobicContact CD2-CB 4.13Å; W365-N369 VanDerWaalsContact CE3-ND2 3.33Å; W365-N369 HydrophobicContact CG-CB 4.33Å; W365-N369 WeakPolarHBondContact CH2-ND2 3.5Å; W365-N369 HydrophobicContact CZ2-CB 4.19Å; W365-N369 VanDerWaalsContact CZ2-ND2 3.34Å; W365-N369 WeakPolarHBondContact CZ2-ND2 3.31Å; W365-N369 WeakPolarHBondContact CZ3-ND2 3.43Å; W365-N369 WeakPolarHBondContact O-CA 3.49Å; W365-N369 WeakPolarHBondContact O-CB 3.12Å; W365-N369 PolarHBondContact O-N 2.91Å
370	S	95.4	Very high	95.1	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.081	C	C	.	.			trans	-160.4	-172.2	-172.6	-164.8	0	0	0	0	110	W249 S278 Q279 W365 L366	W249-S370 VanDerWaalsContact NE1-CA 3.34Å; S278-S370 WeakPolarHBondContact CB-OG 3.41Å; S278-S370 PolarHBondContact O-OG 3.44Å; S278-S370 PolarHBondContact OG-OG 3.46Å; Q279-S370 VanDerWaalsContact CD-CB 3.49Å; Q279-S370 PolarHBondContact N-OG 3.14Å; Q279-S370 VanDerWaalsContact NE2-CB 3.34Å; W365-S370 PolarHBondContact O-N 2.9Å; L366-S370 WeakPolarHBondContact CA-O 3.31Å
371	T	98.4	Very high	95.3	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	6%	0.061	C	C	.	.			trans	-48.8	158.1	170.8	63.5	0	0	0	0	112.5	W249 V255 N275 S278 L406 L407 V408	W249-T371 HydrophobicContact CB-CG2 4.14Å; W249-T371 HydrophobicContact CG-CG2 4.16Å; V255-T371 HydrophobicContact CG2-CG2 4.14Å; N275-T371 PolarHBondContact ND2-O 3.07Å; S278-T371 WeakPolarHBondContact CB-OG1 3.45Å; S278-T371 VanDerWaalsContact OG-CG2 3.23Å; S278-T371 WeakPolarHBondContact OG-CG2 3.46Å; T371-L406 HydrophobicContact CG2-CD2 4.21Å; T371-L406 HydrophobicContact CG2-CG 4.44Å; T371-L407 VanDerWaalsContact CA-O 3.22Å; T371-L407 WeakPolarHBondContact CA-O 3.44Å; T371-L407 VanDerWaalsContact CB-O 3.23Å; T371-L407 WeakPolarHBondContact CB-O 3.13Å; T371-V408 HydrophobicContact CG2-CB 4.29Å; T371-V408 HydrophobicContact CG2-CG1 3.94Å
372	I	98.2	Very high	95.5	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	130.1	-177.4	-55.6	173.6	0	0	0	109	L355 L362 W365 L366 V374 L406 L407 A451 T452	L355-I372 HydrophobicContact CD1-CB 4.48Å; L355-I372 HydrophobicContact CD1-CD1 3.72Å; L355-I372 HydrophobicContact CD1-CG1 3.94Å; L355-I372 HydrophobicContact CD1-CG2 3.71Å; L362-I372 HydrophobicContact CB-CD1 4.18Å; L362-I372 HydrophobicContact CD2-CD1 4.02Å; L362-I372 WeakPolarHBondContact O-CD1 3.4Å; W365-I372 HydrophobicContact CB-CD1 4.06Å; W365-I372 VanDerWaalsContact CD1-CG1 3.43Å; W365-I372 HydrophobicContact CG-CD1 4.05Å; W365-I372 HydrophobicContact CG-CG1 4.33Å; L366-I372 HydrophobicContact CD1-CD1 4.18Å; L366-I372 HydrophobicContact CD2-CD1 4.36Å; L366-I372 HydrophobicContact CD2-CG1 4.07Å; L366-I372 HydrophobicContact CG-CD1 3.7Å; L366-I372 HydrophobicContact CG-CG1 3.96Å; I372-V374 HydrophobicContact CB-CG1 4.32Å; I372-V374 HydrophobicContact CG2-CG1 3.67Å; I372-L406 CarbonylContact O-C 2.85Å; I372-L406 WeakPolarHBondContact O-CA 3.24Å; I372-L407 HydrophobicContact CB-CB 4.22Å; I372-L407 HydrophobicContact CB-CD1 4.45Å; I372-L407 PolarHBondContact N-O 2.97Å; I372-L407 PolarHBondContact O-N 3.42Å; I372-A451 HydrophobicContact CG2-CB 3.94Å; I372-T452 WeakPolarHBondContact CG2-O 2.89Å
373	S	97.8	Very high	95.6	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	124.3	168.6	176.6	0	0	0	0	109.1	S271 P310 Y314 A451 T452	S271-S373 WeakPolarHBondContact OG-CA 3.4Å; S271-S373 VanDerWaalsContact OG-CB 3.29Å; S271-S373 WeakPolarHBondContact OG-CB 3.47Å; S271-S373 PolarHBondContact OG-OG 3.49Å; P310-S373 WeakPolarHBondContact CB-OG 3.42Å; P310-S373 WeakPolarHBondContact CG-OG 3.39Å; Y314-S373 WeakPolarHBondContact OH-CB 3.26Å; S373-A451 WeakPolarHBondContact O-CA 3.08Å; S373-T452 PolarHBondContact N-O 3.24Å; S373-T452 PolarHBondContact O-N 2.88Å
374	V	96.3	Very high	95.8	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	149.2	-177.1	-60.4	0	0	0	0	112.7	I372 A404 V405 L407 I447 V450 A451	I372-V374 HydrophobicContact CB-CG1 4.32Å; I372-V374 HydrophobicContact CG2-CG1 3.67Å; V374-A404 WeakPolarHBondContact O-CA 3.39Å; V374-V405 HydrophobicContact CG2-CG2 3.56Å; V374-V405 PolarHBondContact N-O 3.3Å; V374-V405 PolarHBondContact O-N 3.49Å; V374-L407 HydrophobicContact CB-CG 4.44Å; V374-L407 HydrophobicContact CG1-CD1 3.64Å; V374-L407 HydrophobicContact CG1-CG 3.75Å; V374-L407 HydrophobicContact CG2-CD1 4.41Å; V374-L407 HydrophobicContact CG2-CD2 4.05Å; V374-L407 HydrophobicContact CG2-CG 3.77Å; V374-I447 HydrophobicContact CB-CG1 4.44Å; V374-I447 WeakPolarHBondContact CB-O 2.81Å; V374-I447 HydrophobicContact CG2-CD1 4.4Å; V374-I447 HydrophobicContact CG2-CG1 3.73Å; V374-V450 CarbonylContact C-O 3.59Å; V374-V450 VanDerWaalsContact CA-O 3.26Å; V374-V450 WeakPolarHBondContact CA-O 3.15Å; V374-A451 HydrophobicContact CG1-CB 3.95Å
375	G	94.6	Very high	96	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	142.4	169.2	0	0	0	0	0	112	H403 I447 V450	G375-H403 CarbonylContact C-O 3.53Å; G375-H403 VanDerWaalsContact CA-O 3.3Å; G375-H403 WeakPolarHBondContact CA-O 3.4Å; G375-I447 WeakPolarHBondContact O-CA 3.28Å; G375-V450 PolarHBondContact N-O 2.51Å
376	M	95.1	Very high	96.2	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	164.3	172.7	65.2	170.8	-74.5	0	0	111.8	A378 L381 D402 H403 V405 F436 M438 C445 I447	M376-A378 HydrophobicContact CE-CB 4.05Å; M376-A378 HydrophobicContact CG-CB 4.31Å; M376-L381 HydrophobicContact CE-CD1 3.54Å; M376-L381 HydrophobicContact CE-CG 4.2Å; M376-L381 HydrophobicContact SD-CD1 4.04Å; M376-D402 PolarHBondContact O-N 3.24Å; M376-H403 PolarHBondContact N-O 3.19Å; M376-H403 PolarHBondContact O-N 2.94Å; M376-V405 HydrophobicContact CG-CG2 4.11Å; M376-V405 HydrophobicContact SD-CG2 3.98Å; M376-F436 HydrophobicContact CE-CE2 4.37Å; M376-F436 HydrophobicContact CE-CZ 4.41Å; M376-F436 HydrophobicContact SD-CE2 3.96Å; M376-F436 HydrophobicContact SD-CZ 3.55Å; M376-F436 VanDerWaalsContact SD-CZ 3.55Å; M376-M438 HydrophobicContact CE-CE 3.59Å; M376-M438 HydrophobicContact SD-CE 4.49Å; M376-C445 WeakPolarHBondContact CA-O 3.39Å; M376-C445 HydrophobicContact CB-CB 4.44Å; M376-C445 HydrophobicContact CE-CB 3.84Å; M376-I447 HydrophobicContact CB-CB 4.24Å; M376-I447 HydrophobicContact CB-CG1 4.35Å; M376-I447 HydrophobicContact SD-CD1 4.29Å
377	N	94.2	Very high	96.3	Very high	14 Å²	14	18.6 Å²	18.6	8%	0.075	9%	0.087	C	C	.	.			trans	-81	120.2	161.1	-175.2	-79.6	0	0	0	109.2	C396 S397 L400 D402 C445	N377-C396 PolarHBondContact O-SG 3.08Å; N377-S397 WeakPolarHBondContact CB-O 3.19Å; N377-L400 WeakPolarHBondContact CB-O 3.36Å; N377-L400 PolarHBondContact ND2-O 3.35Å; N377-D402 WeakPolarHBondContact CA-OD1 3.48Å; N377-D402 PolarHBondContact ND2-OD2 3.3Å; N377-C445 PolarHBondContact N-O 2.88Å; N377-C445 WeakPolarHBondContact O-CB 3.42Å
378	A	95.8	Very high	96.5	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.071	C	C	.	.			trans	-121.8	13	-173.2	0	0	0	0	0	113.8	L219 M376 L380 L381 D402 H403 W426	L219-A378 HydrophobicContact CD2-CB 3.83Å; M376-A378 HydrophobicContact CE-CB 4.05Å; M376-A378 HydrophobicContact CG-CB 4.31Å; A378-L380 VanDerWaalsContact C-N 3.29Å; A378-L380 PolarHBondContact O-N 3.12Å; A378-L381 HydrophobicContact CB-CB 4.32Å; A378-L381 HydrophobicContact CB-CD1 3.89Å; A378-L381 HydrophobicContact CB-CG 4.28Å; A378-L381 VanDerWaalsContact O-CB 3.27Å; A378-L381 WeakPolarHBondContact O-CB 3.4Å; A378-L381 PolarHBondContact O-N 2.9Å; A378-D402 PolarHBondContact N-OD1 3.47Å; A378-H403 HydrophobicContact CB-CB 3.48Å; A378-H403 VanDerWaalsContact CB-CB 3.48Å; A378-W426 HydrophobicContact CB-CH2 4.25Å
379	L	93.4	Very high	96.8	Very high	38 Å²	38	11.4 Å²	11.4	20%	0.199	6%	0.056	C	C	.	.	G	3₁₀ helix	trans	-55.2	-42.5	-178.4	-179.4	61.1	0	0	0	113.3	T211 F214 L219 L381 Q382	T211-L379 HydrophobicContact CG2-CD1 3.82Å; T211-L379 HydrophobicContact CG2-CD2 4.16Å; F214-L379 HydrophobicContact CD1-CD1 4.32Å; L219-L379 HydrophobicContact CD1-CB 4.15Å; L219-L379 HydrophobicContact CD1-CD1 3.99Å; L379-L381 VanDerWaalsContact C-N 3.27Å; L379-L381 PolarHBondContact O-N 3.33Å; L379-Q382 WeakPolarHBondContact O-CB 3.07Å; L379-Q382 PolarHBondContact O-N 2.62Å
380	L	95.2	Very high	97	Very high	1 Å²	1	10.9 Å²	10.9	1%	0.005	5%	0.053	C	C	.	.	G	3₁₀ helix	trans	-69.6	-23.7	177.7	68.6	100.2	0	0	0	113.9	Y191 Y201 A378 Q382 F383 P391 C396	Y191-L380 HydrophobicContact CD2-CB 4.01Å; Y191-L380 HydrophobicContact CE1-CB 4.47Å; Y191-L380 HydrophobicContact CE2-CB 3.71Å; Y191-L380 HydrophobicContact CG-CB 4.48Å; Y201-L380 HydrophobicContact CE1-CD1 3.57Å; Y201-L380 WeakPolarHBondContact OH-CD1 3.03Å; A378-L380 VanDerWaalsContact C-N 3.29Å; A378-L380 PolarHBondContact O-N 3.12Å; L380-Q382 PolarHBondContact O-N 3.37Å; L380-Q382 VanDerWaalsContact O-N 3.13Å; L380-F383 PolarHBondContact O-N 3.01Å; L380-F383 VanDerWaalsContact O-N 3.14Å; L380-P391 HydrophobicContact CD1-CB 4.33Å; L380-P391 HydrophobicContact CD1-CG 4.19Å; L380-P391 HydrophobicContact CD2-CB 3.64Å; L380-P391 HydrophobicContact CD2-CG 3.49Å; L380-P391 VanDerWaalsContact CD2-CG 3.49Å; L380-C396 HydrophobicContact CD2-CB 3.43Å; L380-C396 VanDerWaalsContact CD2-CB 3.43Å; L380-C396 WeakPolarHBondContact CD2-SG 3.34Å
381	L	97.7	Very high	97	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.055	C	C	.	.	G	3₁₀ helix	trans	-65.8	-14.1	178.8	-67.8	-173.2	0	0	0	111.7	M376 A378 L379 F383 Y384 W426 W430 F436 M438	M376-L381 HydrophobicContact CE-CD1 3.54Å; M376-L381 HydrophobicContact CE-CG 4.2Å; M376-L381 HydrophobicContact SD-CD1 4.04Å; A378-L381 HydrophobicContact CB-CB 4.32Å; A378-L381 HydrophobicContact CB-CD1 3.89Å; A378-L381 HydrophobicContact CB-CG 4.28Å; A378-L381 VanDerWaalsContact O-CB 3.27Å; A378-L381 WeakPolarHBondContact O-CB 3.4Å; A378-L381 PolarHBondContact O-N 2.9Å; L379-L381 VanDerWaalsContact C-N 3.27Å; L379-L381 PolarHBondContact O-N 3.33Å; L381-F383 PolarHBondContact O-N 3.47Å; L381-Y384 HydrophobicContact CD2-CD2 4.22Å; L381-Y384 HydrophobicContact CD2-CG 4.1Å; L381-Y384 PolarHBondContact O-N 2.86Å; L381-Y384 VanDerWaalsContact O-N 3.1Å; L381-W426 HydrophobicContact CB-CH2 3.93Å; L381-W426 HydrophobicContact CB-CZ3 3.8Å; L381-W430 HydrophobicContact CB-CZ2 3.94Å; L381-W430 VanDerWaalsContact O-CZ2 3.26Å; L381-W430 WeakPolarHBondContact O-CZ2 3.2Å; L381-W430 PolarHBondContact O-NE1 2.67Å; L381-F436 HydrophobicContact CD1-CD1 4.28Å; L381-F436 HydrophobicContact CD1-CD2 4.06Å; L381-F436 HydrophobicContact CD1-CE1 3.91Å; L381-F436 HydrophobicContact CD1-CE2 3.69Å; L381-F436 HydrophobicContact CD1-CG 4.34Å; L381-F436 HydrophobicContact CD1-CZ 3.59Å; L381-F436 HydrophobicContact CD2-CD2 4.19Å; L381-F436 HydrophobicContact CD2-CE2 4.46Å; L381-M438 HydrophobicContact CD2-CE 4.27Å
382	Q	97.6	Very high	96.6	Very high	1 Å²	1	12.2 Å²	12.2	1%	0.005	6%	0.059	C	C	.	.	G	3₁₀ helix	trans	-45.8	-36.3	167.6	-170.9	177.8	2.1	0	0	112.1	T204 Y206 L209 F214 L379 L380	T204-Q382 WeakPolarHBondContact CB-O 3.48Å; T204-Q382 VanDerWaalsContact CG2-O 3.3Å; T204-Q382 WeakPolarHBondContact CG2-O 3.45Å; T204-Q382 PolarHBondContact OG1-O 2.83Å; Y206-Q382 PolarHBondContact O-NE2 3.05Å; L209-Q382 PolarHBondContact O-NE2 2.8Å; F214-Q382 HydrophobicContact CD1-CB 3.83Å; F214-Q382 HydrophobicContact CD1-CG 3.94Å; F214-Q382 HydrophobicContact CD2-CB 4.43Å; F214-Q382 HydrophobicContact CD2-CG 3.85Å; F214-Q382 HydrophobicContact CE1-CB 3.52Å; F214-Q382 HydrophobicContact CE1-CG 4.01Å; F214-Q382 HydrophobicContact CE2-CB 4.17Å; F214-Q382 HydrophobicContact CE2-CG 3.91Å; F214-Q382 HydrophobicContact CG-CB 4.26Å; F214-Q382 HydrophobicContact CG-CG 3.85Å; F214-Q382 HydrophobicContact CZ-CB 3.69Å; F214-Q382 HydrophobicContact CZ-CG 3.97Å; L379-Q382 WeakPolarHBondContact O-CB 3.07Å; L379-Q382 PolarHBondContact O-N 2.62Å; L380-Q382 PolarHBondContact O-N 3.37Å; L380-Q382 VanDerWaalsContact O-N 3.13Å
383	F	98.3	Very high	96.1	Very high	1 Å²	1	17 Å²	17	0%	0.004	8%	0.077	C	C	.	.	G	3₁₀ helix	trans	-109.7	3	-175.4	-46.1	-66.1	0	0	0	114	N184 K187 A188 Y191 Y201 G202 T204 L380 L381	N184-F383 HydrophobicContact CB-CD1 4.45Å; N184-F383 HydrophobicContact CB-CE1 3.53Å; N184-F383 HydrophobicContact CB-CZ 3.95Å; K187-F383 HydrophobicContact CB-CE2 4.05Å; K187-F383 HydrophobicContact CB-CZ 4.33Å; K187-F383 HydrophobicContact CD-CE2 4.36Å; K187-F383 HydrophobicContact CD-CZ 4.26Å; A188-F383 HydrophobicContact CB-CB 3.91Å; A188-F383 HydrophobicContact CB-CD1 4.49Å; A188-F383 HydrophobicContact CB-CG 4.09Å; Y191-F383 AromaticContact CD2-CD2 3.66Å; Y191-F383 HydrophobicContact CD2-CD2 3.66Å; Y191-F383 HydrophobicContact CD2-CE2 4.28Å; Y191-F383 AromaticContact CE2-CD2 3.4Å; Y191-F383 HydrophobicContact CE2-CD2 3.4Å; Y191-F383 AromaticContact CE2-CE2 3.61Å; Y191-F383 HydrophobicContact CE2-CE2 3.61Å; Y201-F383 CarbonylContact C-O 3.59Å; Y201-F383 WeakPolarHBondContact CA-O 3.48Å; Y201-F383 HydrophobicContact CD1-CB 4.37Å; G202-F383 PolarHBondContact N-O 3.38Å; T204-F383 VanDerWaalsContact CG2-C 3.48Å; L380-F383 PolarHBondContact O-N 3.01Å; L380-F383 VanDerWaalsContact O-N 3.14Å; L381-F383 PolarHBondContact O-N 3.47Å
384	Y	98.7	Very high	95.5	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	134.1	-178.8	172.1	-85.5	0	0	0	111.4	A199 Y201 T204 L381 H386 G387 W430 E432 F436 R437	A199-Y384 HydrophobicContact CB-CD2 4.2Å; A199-Y384 HydrophobicContact CB-CE2 4.1Å; Y201-Y384 HydrophobicContact CE1-CD2 4.47Å; T204-Y384 WeakPolarHBondContact CG2-O 3.15Å; L381-Y384 HydrophobicContact CD2-CD2 4.22Å; L381-Y384 HydrophobicContact CD2-CG 4.1Å; L381-Y384 PolarHBondContact O-N 2.86Å; L381-Y384 VanDerWaalsContact O-N 3.1Å; Y384-H386 VanDerWaalsContact CZ-CA 3.45Å; Y384-H386 WeakPolarHBondContact OH-CA 3.15Å; Y384-G387 VanDerWaalsContact CE2-O 3.28Å; Y384-G387 WeakPolarHBondContact CE2-O 3.41Å; Y384-G387 PolarHBondContact OH-N 2.94Å; Y384-G387 PolarHBondContact OH-O 3.29Å; Y384-W430 AromaticContact CD1-CH2 3.85Å; Y384-W430 HydrophobicContact CD1-CH2 3.85Å; Y384-W430 AromaticContact CD1-CZ2 3.79Å; Y384-W430 HydrophobicContact CD1-CZ2 3.79Å; Y384-W430 HydrophobicContact CE1-CH2 4.5Å; Y384-W430 HydrophobicContact CG-CZ2 4.23Å; Y384-E432 HydrophobicContact CE1-CG 4.29Å; Y384-E432 PolarHBondContact OH-OE1 3.01Å; Y384-F436 HydrophobicContact CD1-CB 3.78Å; Y384-F436 HydrophobicContact CE1-CB 3.27Å; Y384-F436 HydrophobicContact CE2-CB 4.1Å; Y384-F436 HydrophobicContact CG-CB 4.4Å; Y384-F436 VanDerWaalsContact CZ-CB 3.44Å; Y384-F436 WeakPolarHBondContact OH-CA 3.47Å; Y384-R437 PolarHBondContact OH-N 2.77Å; Y384-R437 VanDerWaalsContact OH-N 3.16Å
385	Q	98.6	Very high	95.2	Very high	62 Å²	62	19.2 Å²	19.2	29%	0.29	9%	0.088	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	-55.7	173.7	-63.2	-171.7	-30.4	0	0	111.8	I200 V203 T204 G431 E432	I200-Q385 PolarHBondContact O-N 2.82Å; V203-Q385 PolarHBondContact O-NE2 2.95Å; T204-Q385 HydrophobicContact CG2-CG 4.48Å; Q385-G431 CarbonylContact O-C 3.59Å; Q385-G431 WeakPolarHBondContact O-CA 3.38Å; Q385-E432 PolarHBondContact O-N 3.3Å
386	H	98.6	Very high	95	Very high	91 Å²	91	19.4 Å²	19.4	42%	0.421	9%	0.089	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.9	173.8	179.5	64.5	80	0	0	0	111	A199 I200 Y384 E432	A199-H386 CarbonylContact C-O 3.27Å; A199-H386 VanDerWaalsContact CA-O 3.23Å; A199-H386 WeakPolarHBondContact CA-O 3.39Å; I200-H386 WeakPolarHBondContact CG1-CE1 3.32Å; I200-H386 PolarHBondContact N-O 2.8Å; Y384-H386 VanDerWaalsContact CZ-CA 3.45Å; Y384-H386 WeakPolarHBondContact OH-CA 3.15Å; H386-E432 HydrophobicContact CB-CG 3.74Å
387	G	98.4	Very high	94.6	Very high	2 Å²	2	21 Å²	21	2%	0.021	10%	0.1	C	C	.	.	S	Bend	trans	94.2	177.7	176.8	0	0	0	0	0	113.5	Y384 S389 E432	Y384-G387 VanDerWaalsContact CE2-O 3.28Å; Y384-G387 WeakPolarHBondContact CE2-O 3.41Å; Y384-G387 PolarHBondContact OH-N 2.94Å; Y384-G387 PolarHBondContact OH-O 3.29Å; G387-S389 PolarHBondContact O-N 2.79Å; G387-E432 PolarHBondContact N-OE1 2.77Å
388	I	98.6	Very high	94.4	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.005	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	109.7	-178.6	-58	166.8	0	0	0	108.6	G197 S198 A199 H390 E417 F419 R437	G197-I388 CarbonylContact C-O 3.53Å; G197-I388 WeakPolarHBondContact CA-O 3.33Å; S198-I388 PolarHBondContact N-O 3.31Å; S198-I388 WeakPolarHBondContact OG-CB 3.49Å; S198-I388 PolarHBondContact OG-N 2.98Å; A199-I388 PolarHBondContact N-O 2.9Å; I388-H390 PolarHBondContact O-N 2.82Å; I388-E417 HydrophobicContact CD1-CB 4.18Å; I388-F419 HydrophobicContact CD1-CB 4.06Å; I388-F419 HydrophobicContact CD1-CD1 3.52Å; I388-F419 HydrophobicContact CD1-CE1 4.27Å; I388-F419 HydrophobicContact CD1-CG 4.03Å; I388-F419 HydrophobicContact CG1-CB 4.03Å; I388-F419 HydrophobicContact CG1-CD1 4.13Å; I388-F419 HydrophobicContact CG1-CG 4.16Å; I388-F419 HydrophobicContact CG2-CB 3.88Å; I388-R437 HydrophobicContact CG1-CB 4.14Å
389	S	98.5	Very high	93.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	121	177.5	-174.4	0	0	0	0	110.1	Y201 G387 P391 R437 Y439	Y201-S389 PolarHBondContact OH-OG 3.05Å; G387-S389 PolarHBondContact O-N 2.79Å; S389-P391 VanDerWaalsContact C-CD 3.49Å; S389-P391 WeakPolarHBondContact OG-CD 3.14Å; S389-R437 PolarHBondContact N-O 3.17Å; S389-Y439 PolarHBondContact O-N 3Å
390	H	97.2	Very high	93.5	Very high	18 Å²	18	37.6 Å²	37.6	8%	0.083	17%	0.171	C	C	.	.			trans	-137.3	57.8	173.6	-165.8	-164.1	0	0	0	110.6	E195 R196 I388 Y439 D442 T444	E195-H390 WeakPolarHBondContact OE1-CA 3.39Å; E195-H390 WeakPolarHBondContact OE1-CB 3.45Å; E195-H390 PolarHBondContact OE1-N 2.84Å; E195-H390 PolarHBondContact OE2-N 2.95Å; R196-H390 HydrophobicContact CB-CB 4.24Å; R196-H390 WeakPolarHBondContact CB-O 3.38Å; R196-H390 PolarHBondContact N-O 3.29Å; R196-H390 PolarHBondContact NE-O 2.74Å; R196-H390 VanDerWaalsContact NE-O 3.11Å; R196-H390 PolarHBondContact NH1-CE1 3.48Å; R196-H390 PolarHBondContact NH1-NE2 2.89Å; R196-H390 PolarHBondContact NH2-CD2 2.78Å; R196-H390 PolarHBondContact NH2-NE2 3.23Å; I388-H390 PolarHBondContact O-N 2.82Å; H390-Y439 HydrophobicContact CB-CG 4.2Å; H390-Y439 AromaticContact CD2-CD1 3.62Å; H390-Y439 AromaticContact CD2-CG 3.64Å; H390-Y439 AromaticContact CE1-CD1 3.57Å; H390-Y439 AromaticContact CE1-CD2 3.99Å; H390-Y439 AromaticContact CE1-CE1 3.66Å; H390-Y439 AromaticContact CE1-CG 3.74Å; H390-Y439 AromaticContact CE1-CZ 3.91Å; H390-Y439 AromaticContact CG-CG 3.67Å; H390-Y439 AromaticContact ND1-CD2 3.86Å; H390-Y439 AromaticContact ND1-CG 3.79Å; H390-Y439 AromaticContact NE2-CD1 3.27Å; H390-Y439 VanDerWaalsContact NE2-CD1 3.27Å; H390-Y439 WeakPolarHBondContact NE2-CD1 3.28Å; H390-Y439 AromaticContact NE2-CE1 3.66Å; H390-Y439 AromaticContact NE2-CG 3.68Å; H390-D442 IonicContact CD2-OD2 2.74Å; H390-D442 IonicContact CE1-OD2 2.99Å; H390-D442 IonicContact NE2-OD1 2.78Å; H390-D442 IonicContact NE2-OD2 3.13Å; H390-D442 PolarHBondContact NE2-OD2 2.9Å; H390-T444 PolarHBondContact CD2-OG1 3.34Å
391	P	94.8	Very high	93.3	Very high	8 Å²	8	38.5 Å²	38.5	5%	0.052	18%	0.175	C	C	.	.			trans	-59.8	154.5	-171.3	26	-36.5	0	0	0	111.3	R196 L380 S389 W393 C396 T444	R196-P391 PolarHBondContact NH2-O 3.29Å; L380-P391 HydrophobicContact CD1-CB 4.33Å; L380-P391 HydrophobicContact CD1-CG 4.19Å; L380-P391 HydrophobicContact CD2-CB 3.64Å; L380-P391 HydrophobicContact CD2-CG 3.49Å; L380-P391 VanDerWaalsContact CD2-CG 3.49Å; S389-P391 VanDerWaalsContact C-CD 3.49Å; S389-P391 WeakPolarHBondContact OG-CD 3.14Å; P391-W393 PolarHBondContact O-N 3.41Å; P391-C396 HydrophobicContact CB-CB 4.43Å; P391-C396 HydrophobicContact CG-CB 3.87Å; P391-T444 HydrophobicContact CG-CG2 4.19Å
392	W	90.5	Very high	93	Very high	19 Å²	19	39.8 Å²	39.8	7%	0.072	18%	0.183	C	C	.	.			trans	-63.4	133.8	169.1	-167.8	46.6	0	0	0	110.4	F58 L102 K103 F107 F194 I394 F395	F58-W392 HydrophobicContact CD2-CZ3 4.37Å; F58-W392 HydrophobicContact CE2-CH2 4.43Å; F58-W392 AromaticContact CE2-CZ3 3.61Å; F58-W392 HydrophobicContact CE2-CZ3 3.61Å; F58-W392 AromaticContact CZ-CZ3 3.93Å; F58-W392 HydrophobicContact CZ-CZ3 3.93Å; L102-W392 HydrophobicContact CB-CH2 3.79Å; L102-W392 HydrophobicContact CB-CZ2 3.88Å; L102-W392 HydrophobicContact CD1-CH2 3.47Å; L102-W392 VanDerWaalsContact CD1-CH2 3.47Å; L102-W392 HydrophobicContact CD1-CZ2 4.39Å; L102-W392 HydrophobicContact CD1-CZ3 3.8Å; L102-W392 HydrophobicContact CG-CH2 4.28Å; K103-W392 WeakPolarHBondContact O-CZ2 3.03Å; F107-W392 HydrophobicContact CE1-CH2 4.32Å; F107-W392 HydrophobicContact CE2-CH2 4.07Å; F107-W392 HydrophobicContact CE2-CZ2 4.37Å; F107-W392 AromaticContact CZ-CH2 3.36Å; F107-W392 HydrophobicContact CZ-CH2 3.36Å; F107-W392 HydrophobicContact CZ-CZ2 4.09Å; F107-W392 HydrophobicContact CZ-CZ3 4.05Å; F194-W392 HydrophobicContact CB-CB 4.04Å; F194-W392 HydrophobicContact CD1-CD2 4.47Å; F194-W392 HydrophobicContact CD1-CE3 4.08Å; F194-W392 HydrophobicContact CD1-CZ3 4.4Å; F194-W392 HydrophobicContact CE1-CE3 4.45Å; F194-W392 HydrophobicContact CE1-CZ3 4.32Å; F194-W392 HydrophobicContact CG-CE3 4.3Å; W392-I394 HydrophobicContact CD2-CB 4.32Å; W392-I394 HydrophobicContact CD2-CD1 3.86Å; W392-I394 HydrophobicContact CD2-CG1 4.38Å; W392-I394 HydrophobicContact CE3-CB 3.94Å; W392-I394 HydrophobicContact CE3-CD1 3.63Å; W392-I394 HydrophobicContact CE3-CG1 4.25Å; W392-I394 HydrophobicContact CH2-CD1 3.36Å; W392-I394 HydrophobicContact CZ2-CD1 3.5Å; W392-I394 VanDerWaalsContact CZ2-CD1 3.5Å; W392-I394 HydrophobicContact CZ3-CB 4.34Å; W392-I394 HydrophobicContact CZ3-CD1 3.36Å; W392-I394 HydrophobicContact CZ3-CG1 4.39Å; W392-I394 PolarHBondContact O-N 3.19Å; W392-F395 HydrophobicContact CB-CD2 4.2Å; W392-F395 HydrophobicContact CB-CE2 4.46Å; W392-F395 HydrophobicContact CE3-CD2 4.43Å; W392-F395 AromaticContact CE3-CE2 3.86Å; W392-F395 HydrophobicContact CE3-CE2 3.86Å; W392-F395 HydrophobicContact CE3-CZ 4.38Å; W392-F395 PolarHBondContact O-N 2.87Å
393	W	87.3	Confident	93	Very high	101 Å²	101	39.8 Å²	39.8	38%	0.383	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-55.1	-22.7	-167.7	69.9	-89.5	0	0	0	115	A104 Y105 P137 P391 F395 C396	A104-W393 WeakPolarHBondContact O-CZ2 3.49Å; Y105-W393 HydrophobicContact CD1-CZ2 4.46Å; Y105-W393 HydrophobicContact CE1-CZ2 4.1Å; P137-W393 HydrophobicContact CG-CH2 4.21Å; P391-W393 PolarHBondContact O-N 3.41Å; W393-F395 VanDerWaalsContact C-N 3.28Å; W393-F395 PolarHBondContact O-N 2.77Å; W393-C396 CarbonylContact O-C 3.49Å; W393-C396 VanDerWaalsContact O-C 3.27Å; W393-C396 PolarHBondContact O-N 2.92Å
394	I	86.6	Confident	92.9	Very high	31 Å²	31	39.8 Å²	39.8	16%	0.159	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-66.2	-31.3	177.8	-72.3	162.7	0	0	0	112	F58 F107 P137 W392	F58-I394 HydrophobicContact CZ-CG2 4.4Å; F107-I394 HydrophobicContact CE2-CD1 3.67Å; F107-I394 HydrophobicContact CZ-CD1 3.51Å; P137-I394 HydrophobicContact CB-CD1 3.59Å; P137-I394 HydrophobicContact CB-CG1 4Å; P137-I394 HydrophobicContact CB-CG2 3.86Å; P137-I394 HydrophobicContact CG-CB 4.49Å; P137-I394 HydrophobicContact CG-CD1 3.39Å; P137-I394 HydrophobicContact CG-CG1 3.53Å; P137-I394 HydrophobicContact CG-CG2 4.17Å; W392-I394 HydrophobicContact CD2-CB 4.32Å; W392-I394 HydrophobicContact CD2-CD1 3.86Å; W392-I394 HydrophobicContact CD2-CG1 4.38Å; W392-I394 HydrophobicContact CE3-CB 3.94Å; W392-I394 HydrophobicContact CE3-CD1 3.63Å; W392-I394 HydrophobicContact CE3-CG1 4.25Å; W392-I394 HydrophobicContact CH2-CD1 3.36Å; W392-I394 HydrophobicContact CZ2-CD1 3.5Å; W392-I394 VanDerWaalsContact CZ2-CD1 3.5Å; W392-I394 HydrophobicContact CZ3-CB 4.34Å; W392-I394 HydrophobicContact CZ3-CD1 3.36Å; W392-I394 HydrophobicContact CZ3-CG1 4.39Å; W392-I394 PolarHBondContact O-N 3.19Å
395	F	90.2	Very high	92.9	Very high	16 Å²	16	39.9 Å²	39.9	7%	0.07	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-89.9	-6.1	177.8	-55.7	-58	0	0	0	112.9	F58 M139 L190 Y191 F194 W392 W393	F58-F395 HydrophobicContact CE2-CZ 4.12Å; F58-F395 HydrophobicContact CZ-CE1 4.09Å; F58-F395 AromaticContact CZ-CZ 3.78Å; F58-F395 HydrophobicContact CZ-CZ 3.78Å; M139-F395 HydrophobicContact CE-CD1 4.46Å; M139-F395 HydrophobicContact SD-CD1 4.11Å; M139-F395 HydrophobicContact SD-CE1 3.97Å; L190-F395 HydrophobicContact CD1-CZ 4.44Å; L190-F395 HydrophobicContact CD2-CE1 3.71Å; L190-F395 HydrophobicContact CD2-CZ 3.8Å; L190-F395 HydrophobicContact CG-CE1 4.41Å; L190-F395 HydrophobicContact CG-CZ 4Å; Y191-F395 HydrophobicContact CD1-CB 4.26Å; Y191-F395 HydrophobicContact CD1-CD1 4.14Å; Y191-F395 HydrophobicContact CD1-CD2 4.17Å; Y191-F395 AromaticContact CD1-CG 3.92Å; Y191-F395 HydrophobicContact CD1-CG 3.92Å; Y191-F395 HydrophobicContact CE1-CB 3.95Å; Y191-F395 AromaticContact CE1-CD1 3.68Å; Y191-F395 HydrophobicContact CE1-CD1 3.68Å; Y191-F395 HydrophobicContact CE1-CD2 4.46Å; Y191-F395 HydrophobicContact CE1-CE1 4.29Å; Y191-F395 AromaticContact CE1-CG 3.77Å; Y191-F395 HydrophobicContact CE1-CG 3.77Å; F194-F395 HydrophobicContact CB-CD2 4.21Å; F194-F395 HydrophobicContact CB-CE2 3.67Å; F194-F395 AromaticContact CD2-CE2 3.43Å; F194-F395 HydrophobicContact CD2-CE2 3.43Å; F194-F395 VanDerWaalsContact CD2-CE2 3.43Å; F194-F395 AromaticContact CD2-CZ 3.75Å; F194-F395 HydrophobicContact CD2-CZ 3.75Å; F194-F395 HydrophobicContact CE2-CE2 4.3Å; F194-F395 HydrophobicContact CE2-CZ 4.25Å; F194-F395 AromaticContact CG-CE2 3.67Å; F194-F395 HydrophobicContact CG-CE2 3.67Å; F194-F395 HydrophobicContact CG-CZ 4.4Å; W392-F395 HydrophobicContact CB-CD2 4.2Å; W392-F395 HydrophobicContact CB-CE2 4.46Å; W392-F395 HydrophobicContact CE3-CD2 4.43Å; W392-F395 AromaticContact CE3-CE2 3.86Å; W392-F395 HydrophobicContact CE3-CE2 3.86Å; W392-F395 HydrophobicContact CE3-CZ 4.38Å; W392-F395 PolarHBondContact O-N 2.87Å; W393-F395 VanDerWaalsContact C-N 3.28Å; W393-F395 PolarHBondContact O-N 2.77Å
396	C	89.8	Confident	92.9	Very high	3 Å²	3	37.1 Å²	37.1	2%	0.02	17%	0.171	C	C	.	.	S	Bend	trans	-149.7	82.9	-175.4	-146.6	0	0	0	0	111.6	N377 L380 P391 W393 K398 C445	N377-C396 PolarHBondContact O-SG 3.08Å; L380-C396 HydrophobicContact CD2-CB 3.43Å; L380-C396 VanDerWaalsContact CD2-CB 3.43Å; L380-C396 WeakPolarHBondContact CD2-SG 3.34Å; P391-C396 HydrophobicContact CB-CB 4.43Å; P391-C396 HydrophobicContact CG-CB 3.87Å; W393-C396 CarbonylContact O-C 3.49Å; W393-C396 VanDerWaalsContact O-C 3.27Å; W393-C396 PolarHBondContact O-N 2.92Å; C396-K398 PolarHBondContact O-N 3.21Å; C396-C445 HydrophobicContact CB-CB 4.09Å; C396-C445 WeakPolarHBondContact CB-SG 3.35Å; C396-C445 WeakPolarHBondContact SG-CA 3.45Å; C396-C445 WeakPolarHBondContact SG-CB 3.43Å; C396-C445 CovalentContact SG-SG 2.01Å; C396-C445 PolarHBondContact SG-SG 3.24Å
397	S	86.8	Confident	92.9	Very high	33 Å²	33	32.8 Å²	32.8	23%	0.231	15%	0.151	C	C	.	.			trans	-68.1	132.2	-177.3	177	0	0	0	0	111.3	N377 Y399 L400	N377-S397 WeakPolarHBondContact CB-O 3.19Å; S397-Y399 PolarHBondContact O-N 2.89Å; S397-Y399 PolarHBondContact OG-N 3.25Å; S397-L400 PolarHBondContact OG-N 2.99Å
398	K	89	Confident	92.9	Very high	75 Å²	75	32.7 Å²	32.7	33%	0.326	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-9.4	174	-57.5	-172.9	-176.2	174.9	0	114.1	C396 D442 G443 T449	C396-K398 PolarHBondContact O-N 3.21Å; K398-D442 VanDerWaalsContact CE-O 3.29Å; K398-D442 WeakPolarHBondContact CE-O 3.46Å; K398-D442 PolarHBondContact NZ-O 2.9Å; K398-G443 WeakPolarHBondContact CD-O 3.45Å; K398-G443 VanDerWaalsContact CE-O 3.25Å; K398-G443 WeakPolarHBondContact CE-O 3.46Å; K398-T449 PolarHBondContact O-OG1 3.11Å
399	Y	83.7	Confident	92.9	Very high	205 Å²	205	32.7 Å²	32.7	80%	0.804	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112	-14.2	-173.4	-52.1	-71.7	0	0	0	113.2	S397	S397-Y399 PolarHBondContact O-N 2.89Å; S397-Y399 PolarHBondContact OG-N 3.25Å
400	L	86.5	Confident	92.9	Very high	121 Å²	121	32.9 Å²	32.9	63%	0.634	15%	0.15	S	C	*	.			trans	-111.5	66.5	179.5	-58.3	176.2	0	0	0	108.3	N377 S397	N377-L400 WeakPolarHBondContact CB-O 3.36Å; N377-L400 PolarHBondContact ND2-O 3.35Å; S397-L400 PolarHBondContact OG-N 2.99Å
401	L	91.6	Very high	92.9	Very high	20 Å²	20	32 Å²	32	11%	0.105	15%	0.147	C	C	.	.			trans	-67.4	137.9	174.8	-43.4	-179.7	0	0	0	107.9	W223 T449 V450	W223-L401 HydrophobicContact CB-CB 3.79Å; W223-L401 HydrophobicContact CB-CD1 4.32Å; W223-L401 HydrophobicContact CB-CG 4.46Å; W223-L401 VanDerWaalsContact CD1-CB 3.41Å; W223-L401 VanDerWaalsContact CD1-O 3.22Å; W223-L401 HydrophobicContact CD2-CB 4.29Å; W223-L401 HydrophobicContact CD2-CD1 4.41Å; W223-L401 HydrophobicContact CG-CB 3.56Å; W223-L401 HydrophobicContact CG-CD1 4.26Å; W223-L401 HydrophobicContact CG-CG 4.48Å; L401-T449 HydrophobicContact CD1-CG2 4.39Å; L401-V450 HydrophobicContact CD1-CB 4.09Å; L401-V450 HydrophobicContact CD1-CG2 3.59Å
402	D	92.4	Very high	93.1	Very high	28 Å²	28	33.1 Å²	33.1	15%	0.15	15%	0.153	C	C	.	.			trans	-136.1	-7.7	-176.6	58.3	20.5	0	0	0	112.2	L219 A221 M376 N377 A378	L219-D402 CarbonylContact C-O 3.56Å; L219-D402 WeakPolarHBondContact CA-O 3.36Å; L219-D402 HydrophobicContact CB-CB 4Å; A221-D402 PolarHBondContact N-O 3.38Å; A221-D402 VanDerWaalsContact N-O 3.09Å; M376-D402 PolarHBondContact O-N 3.24Å; N377-D402 WeakPolarHBondContact CA-OD1 3.48Å; N377-D402 PolarHBondContact ND2-OD2 3.3Å; A378-D402 PolarHBondContact N-OD1 3.47Å
403	H	96.4	Very high	93.3	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	145.8	-174.5	-167.5	35.3	0	0	0	112.6	H218 L219 W223 C267 G375 M376 A378 V405 N424 W426	H218-H403 PolarHBondContact O-ND1 3.46Å; L219-H403 HydrophobicContact CD2-CB 3.96Å; W223-H403 PolarHBondContact NE1-O 2.84Å; C267-H403 WeakPolarHBondContact CB-CE1 3.39Å; C267-H403 WeakPolarHBondContact CB-ND1 3.4Å; C267-H403 PolarHBondContact SG-ND1 2.78Å; C267-H403 VanDerWaalsContact SG-ND1 3.44Å; G375-H403 CarbonylContact C-O 3.53Å; G375-H403 VanDerWaalsContact CA-O 3.3Å; G375-H403 WeakPolarHBondContact CA-O 3.4Å; M376-H403 PolarHBondContact N-O 3.19Å; M376-H403 PolarHBondContact O-N 2.94Å; A378-H403 HydrophobicContact CB-CB 3.48Å; A378-H403 VanDerWaalsContact CB-CB 3.48Å; H403-V405 WeakPolarHBondContact CD2-CG1 3.24Å; H403-V405 VanDerWaalsContact NE2-CG1 3.31Å; H403-V405 WeakPolarHBondContact NE2-CG1 3.39Å; H403-N424 PolarHBondContact NE2-OD1 3Å; H403-W426 AromaticContact CD2-CZ2 3.72Å; H403-W426 AromaticContact CE1-CE2 3.92Å; H403-W426 AromaticContact CE1-CZ2 3.8Å; H403-W426 AromaticContact CE1-NE1 3.64Å; H403-W426 AromaticContact NE2-CE2 3.67Å; H403-W426 AromaticContact NE2-CZ2 3.39Å; H403-W426 WeakPolarHBondContact NE2-CZ2 3.28Å; H403-W426 AromaticContact NE2-NE1 3.79Å
404	A	96.5	Very high	93.6	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.008	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	127.5	173.6	0	0	0	0	0	109.7	W223 C267 W268 P310 V374	W223-A404 HydrophobicContact CH2-CB 4.26Å; W223-A404 HydrophobicContact CZ2-CB 3.66Å; C267-A404 HydrophobicContact CB-CB 4.45Å; W268-A404 HydrophobicContact CB-CB 4.35Å; P310-A404 HydrophobicContact CG-CB 4.23Å; V374-A404 WeakPolarHBondContact O-CA 3.39Å
405	V	98	Very high	93.9	Very high	3 Å²	3	44.7 Å²	44.7	2%	0.018	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	168.9	-178	-63.9	0	0	0	0	110.4	S271 V374 M376 H403 V422 F436	S271-V405 VanDerWaalsContact OG-C 3.3Å; S271-V405 PolarHBondContact OG-O 3.5Å; V374-V405 HydrophobicContact CG2-CG2 3.56Å; V374-V405 PolarHBondContact N-O 3.3Å; V374-V405 PolarHBondContact O-N 3.49Å; M376-V405 HydrophobicContact CG-CG2 4.11Å; M376-V405 HydrophobicContact SD-CG2 3.98Å; H403-V405 WeakPolarHBondContact CD2-CG1 3.24Å; H403-V405 VanDerWaalsContact NE2-CG1 3.31Å; H403-V405 WeakPolarHBondContact NE2-CG1 3.39Å; V405-V422 HydrophobicContact CB-CG1 3.59Å; V405-V422 HydrophobicContact CG1-CG1 4.46Å; V405-V422 HydrophobicContact CG2-CG1 3.43Å; V405-V422 VanDerWaalsContact CG2-CG1 3.43Å; V405-F436 HydrophobicContact CG1-CE1 4.23Å; V405-F436 HydrophobicContact CG1-CZ 4.42Å; V405-F436 HydrophobicContact CG2-CZ 4.37Å
406	L	98.7	Very high	94.1	Very high	4 Å²	4	49.3 Å²	49.3	2%	0.021	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	116.2	-177.3	-174.3	76.7	0	0	0	110.3	N275 T371 I372 V408 V422 K423	N275-L406 HydrophobicContact CB-CD1 3.79Å; T371-L406 HydrophobicContact CG2-CD2 4.21Å; T371-L406 HydrophobicContact CG2-CG 4.44Å; I372-L406 CarbonylContact O-C 2.85Å; I372-L406 WeakPolarHBondContact O-CA 3.24Å; L406-V408 HydrophobicContact CD2-CG1 3.73Å; L406-V408 HydrophobicContact CG-CG1 3.94Å; L406-V408 PolarHBondContact O-N 3.47Å; L406-V422 CarbonylContact O-C 3.55Å; L406-V422 WeakPolarHBondContact O-CA 3.33Å; L406-V422 WeakPolarHBondContact O-CG1 3.42Å; L406-K423 HydrophobicContact CB-CB 4.22Å; L406-K423 HydrophobicContact CD2-CD 4.32Å; L406-K423 PolarHBondContact N-O 2.81Å; L406-K423 PolarHBondContact O-N 2.87Å
407	L	98.7	Very high	94.4	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	123.4	167.1	-61.8	-175.6	0	0	0	108.9	L366 T371 I372 V374 W420 V422 I447	L366-L407 HydrophobicContact CD1-CB 3.95Å; L366-L407 HydrophobicContact CD1-CD1 4.28Å; L366-L407 HydrophobicContact CD2-CB 4.17Å; L366-L407 VanDerWaalsContact CD2-O 3.31Å; L366-L407 WeakPolarHBondContact CD2-O 3.43Å; T371-L407 VanDerWaalsContact CA-O 3.22Å; T371-L407 WeakPolarHBondContact CA-O 3.44Å; T371-L407 VanDerWaalsContact CB-O 3.23Å; T371-L407 WeakPolarHBondContact CB-O 3.13Å; I372-L407 HydrophobicContact CB-CB 4.22Å; I372-L407 HydrophobicContact CB-CD1 4.45Å; I372-L407 PolarHBondContact N-O 2.97Å; I372-L407 PolarHBondContact O-N 3.42Å; V374-L407 HydrophobicContact CB-CG 4.44Å; V374-L407 HydrophobicContact CG1-CD1 3.64Å; V374-L407 HydrophobicContact CG1-CG 3.75Å; V374-L407 HydrophobicContact CG2-CD1 4.41Å; V374-L407 HydrophobicContact CG2-CD2 4.05Å; V374-L407 HydrophobicContact CG2-CG 3.77Å; L407-W420 HydrophobicContact CD1-CD2 4.19Å; L407-W420 HydrophobicContact CD1-CE3 4.2Å; L407-W420 HydrophobicContact CD1-CZ3 4.48Å; L407-W420 HydrophobicContact CD2-CB 3.95Å; L407-W420 HydrophobicContact CD2-CD2 4.21Å; L407-W420 HydrophobicContact CD2-CE3 4.49Å; L407-W420 HydrophobicContact CD2-CG 4Å; L407-V422 HydrophobicContact CD2-CG1 4.34Å; L407-V422 HydrophobicContact CD2-CG2 3.74Å; L407-I447 HydrophobicContact CD2-CD1 3.81Å; L407-I447 HydrophobicContact CD2-CG1 4.26Å
408	V	98.8	Very high	94.9	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	-12.8	-178.7	-60.2	0	0	0	0	113.6	W249 R250 V255 T371 L406 I421 K423 Y435	W249-V408 WeakPolarHBondContact CB-O 3.35Å; W249-V408 PolarHBondContact N-O 3.01Å; R250-V408 HydrophobicContact CG-CG2 4.27Å; V255-V408 HydrophobicContact CG1-CG1 4.12Å; V255-V408 HydrophobicContact CG2-CB 4.16Å; V255-V408 HydrophobicContact CG2-CG1 3.98Å; T371-V408 HydrophobicContact CG2-CB 4.29Å; T371-V408 HydrophobicContact CG2-CG1 3.94Å; L406-V408 HydrophobicContact CD2-CG1 3.73Å; L406-V408 HydrophobicContact CG-CG1 3.94Å; L406-V408 PolarHBondContact O-N 3.47Å; V408-I421 HydrophobicContact CG2-CB 4.1Å; V408-I421 HydrophobicContact CG2-CG2 3.63Å; V408-I421 WeakPolarHBondContact CG2-O 3.32Å; V408-I421 PolarHBondContact N-O 2.98Å; V408-K423 HydrophobicContact CG1-CB 3.92Å; V408-Y435 HydrophobicContact CG2-CD1 4.28Å; V408-Y435 HydrophobicContact CG2-CE1 4.11Å
409	G	98.7	Very high	95.4	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.6	-178.2	-179.2	0	0	0	0	0	112.3	F247 I421	F247-G409 CarbonylContact O-C 3.12Å; F247-G409 WeakPolarHBondContact O-CA 3.4Å; G409-I421 PolarHBondContact N-O 2.83Å; G409-I421 PolarHBondContact O-N 2.9Å
410	Y	98.6	Very high	96.1	Very high	4 Å²	4	38.7 Å²	38.7	2%	0.016	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	160.3	176.6	56.7	-94.5	0	0	0	110.2	I243 P244 N246 F247 A363 L366 F419 W420	I243-Y410 HydrophobicContact CD1-CE2 4.46Å; P244-Y410 VanDerWaalsContact O-CE2 3.31Å; P244-Y410 WeakPolarHBondContact O-CE2 3.23Å; N246-Y410 WeakPolarHBondContact CA-O 3.45Å; F247-Y410 HydrophobicContact CB-CD1 4.39Å; F247-Y410 HydrophobicContact CB-CE1 3.76Å; F247-Y410 HydrophobicContact CB-CE2 3.99Å; F247-Y410 HydrophobicContact CD1-CE1 4.29Å; F247-Y410 HydrophobicContact CG-CE1 4.42Å; F247-Y410 PolarHBondContact N-O 3.46Å; F247-Y410 PolarHBondContact O-N 2.76Å; F247-Y410 VanDerWaalsContact O-O 3.12Å; A363-Y410 HydrophobicContact CB-CD1 3.91Å; A363-Y410 HydrophobicContact CB-CE1 3.86Å; A363-Y410 HydrophobicContact CB-CG 4.27Å; A363-Y410 WeakPolarHBondContact O-CE1 3.43Å; L366-Y410 HydrophobicContact CB-CD1 4.23Å; L366-Y410 HydrophobicContact CB-CE1 4.08Å; L366-Y410 HydrophobicContact CD1-CD1 4.16Å; Y410-F419 CarbonylContact C-O 3.47Å; Y410-F419 VanDerWaalsContact CA-O 3.23Å; Y410-F419 WeakPolarHBondContact CA-O 3.33Å; Y410-F419 WeakPolarHBondContact CB-O 3.48Å; Y410-W420 HydrophobicContact CD1-CZ3 4.06Å; Y410-W420 HydrophobicContact CG-CZ3 4.24Å
411	G	98.1	Very high	96.7	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.01	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	-169.3	174.2	0	0	0	0	0	112.8	N246 P418 F419	N246-G411 WeakPolarHBondContact OD1-CA 3.26Å; G411-P418 WeakPolarHBondContact O-CA 3.36Å; G411-F419 PolarHBondContact N-O 2.82Å; G411-F419 PolarHBondContact O-N 3.02Å
412	V	97.6	Very high	97	Very high	30 Å²	30	32.7 Å²	32.7	18%	0.182	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	126.9	173.9	179.3	0	0	0	0	108.2	K245 N246 N416 E417 P418	K245-V412 HydrophobicContact CD-CB 4.38Å; K245-V412 HydrophobicContact CD-CG2 4.39Å; K245-V412 VanDerWaalsContact CE-CG1 3.47Å; K245-V412 HydrophobicContact CG-CB 4.14Å; K245-V412 HydrophobicContact CG-CG2 3.79Å; N246-V412 PolarHBondContact OD1-N 2.92Å; V412-N416 HydrophobicContact CG1-CB 4.43Å; V412-E417 CarbonylContact C-O 3.57Å; V412-E417 WeakPolarHBondContact CA-O 3.19Å; V412-P418 HydrophobicContact CG2-CB 4.43Å
413	S	96.1	Very high	97.3	Very high	24 Å²	24	32.3 Å²	32.3	17%	0.168	16%	0.159	C	C	.	.			trans	-66.6	168.2	179.8	83.3	0	0	0	0	112	K415 N416 E417	S413-K415 PolarHBondContact O-N 2.9Å; S413-K415 PolarHBondContact OG-N 3.44Å; S413-N416 WeakPolarHBondContact O-CA 3.1Å; S413-N416 PolarHBondContact O-N 2.95Å; S413-E417 PolarHBondContact N-O 2.66Å; S413-E417 VanDerWaalsContact OG-CB 3.31Å; S413-E417 WeakPolarHBondContact OG-CB 3.27Å; S413-E417 PolarHBondContact OG-N 2.98Å; S413-E417 PolarHBondContact OG-OE2 3.33Å
414	E	93.8	Very high	97.4	Very high	203 Å²	203	32.5 Å²	32.5	95%	0.949	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-27.8	171.9	-64	-178	170.9	0	0	112.5	N416	E414-N416 PolarHBondContact O-N 3.37Å
415	K	92.7	Very high	97.5	Very high	167 Å²	167	32.8 Å²	32.8	73%	0.726	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.7	13.1	174.1	-62.9	-177.3	-179	178	0	113.1	S413 E417	S413-K415 PolarHBondContact O-N 2.9Å; S413-K415 PolarHBondContact OG-N 3.44Å; K415-E417 VanDerWaalsContact C-N 3.25Å; K415-E417 HydrophobicContact CB-CG 4.26Å; K415-E417 PolarHBondContact O-N 3.05Å
416	N	94.5	Very high	97.5	Very high	114 Å²	114	32.7 Å²	32.7	61%	0.61	16%	0.162	S	C	*	.			trans	58.9	31	-174.7	-67.2	-52.1	0	0	0	114.2	V412 S413 E414 P418	V412-N416 HydrophobicContact CG1-CB 4.43Å; S413-N416 WeakPolarHBondContact O-CA 3.1Å; S413-N416 PolarHBondContact O-N 2.95Å; E414-N416 PolarHBondContact O-N 3.37Å; N416-P418 WeakPolarHBondContact O-CD 3.2Å
417	E	94.7	Very high	97.4	Very high	40 Å²	40	33 Å²	33	19%	0.187	17%	0.165	C	C	.	.			trans	-89.4	110.5	174.4	-59.7	164.6	129.5	0	0	109.4	I388 V412 S413 K415	I388-E417 HydrophobicContact CD1-CB 4.18Å; V412-E417 CarbonylContact C-O 3.57Å; V412-E417 WeakPolarHBondContact CA-O 3.19Å; S413-E417 PolarHBondContact N-O 2.66Å; S413-E417 VanDerWaalsContact OG-CB 3.31Å; S413-E417 WeakPolarHBondContact OG-CB 3.27Å; S413-E417 PolarHBondContact OG-N 2.98Å; S413-E417 PolarHBondContact OG-OE2 3.33Å; K415-E417 VanDerWaalsContact C-N 3.25Å; K415-E417 HydrophobicContact CB-CG 4.26Å; K415-E417 PolarHBondContact O-N 3.05Å
418	P	97.9	Very high	97.4	Very high	29 Å²	29	36.7 Å²	36.7	19%	0.188	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	137.8	172.4	26	-35.6	0	0	0	111.6	G411 V412 N416 Y439 R440	G411-P418 WeakPolarHBondContact O-CA 3.36Å; V412-P418 HydrophobicContact CG2-CB 4.43Å; N416-P418 WeakPolarHBondContact O-CD 3.2Å; P418-Y439 HydrophobicContact CG-CE2 4.17Å; P418-R440 HydrophobicContact CB-CB 4.27Å; P418-R440 WeakPolarHBondContact CB-O 3.01Å; P418-R440 WeakPolarHBondContact CG-O 3.39Å; P418-R440 PolarHBondContact O-N 2.83Å
419	F	98.7	Very high	97.4	Very high	22 Å²	22	42.1 Å²	42.1	10%	0.096	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	156.2	177.8	63.7	-93.1	0	0	0	112.9	I388 Y410 G411 I421 R437 M438	I388-F419 HydrophobicContact CD1-CB 4.06Å; I388-F419 HydrophobicContact CD1-CD1 3.52Å; I388-F419 HydrophobicContact CD1-CE1 4.27Å; I388-F419 HydrophobicContact CD1-CG 4.03Å; I388-F419 HydrophobicContact CG1-CB 4.03Å; I388-F419 HydrophobicContact CG1-CD1 4.13Å; I388-F419 HydrophobicContact CG1-CG 4.16Å; I388-F419 HydrophobicContact CG2-CB 3.88Å; Y410-F419 CarbonylContact C-O 3.47Å; Y410-F419 VanDerWaalsContact CA-O 3.23Å; Y410-F419 WeakPolarHBondContact CA-O 3.33Å; Y410-F419 WeakPolarHBondContact CB-O 3.48Å; G411-F419 PolarHBondContact N-O 2.82Å; G411-F419 PolarHBondContact O-N 3.02Å; F419-I421 HydrophobicContact CD2-CG1 4.06Å; F419-I421 HydrophobicContact CE2-CD1 4.2Å; F419-I421 HydrophobicContact CE2-CG1 3.68Å; F419-R437 HydrophobicContact CD2-CB 4.14Å; F419-R437 HydrophobicContact CD2-CG 3.84Å; F419-R437 HydrophobicContact CE2-CG 4.11Å; F419-M438 CarbonylContact C-O 3.49Å; F419-M438 WeakPolarHBondContact CA-O 3.07Å; F419-M438 WeakPolarHBondContact CB-O 3.45Å
420	W	98.8	Very high	97.4	Very high	1 Å²	1	42.1 Å²	42.1	0%	0.004	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	146.2	162.4	-65.1	117.9	0	0	0	110.5	E359 L362 A363 L366 L407 Y410 V422 R437 M438 R440	E359-W420 HydrophobicContact CB-CZ2 3.8Å; E359-W420 HydrophobicContact CG-CZ2 3.97Å; E359-W420 VanDerWaalsContact O-CH2 3.31Å; E359-W420 WeakPolarHBondContact O-CH2 3.47Å; E359-W420 PolarHBondContact OE1-NE1 3.2Å; L362-W420 HydrophobicContact CB-CH2 3.91Å; L362-W420 HydrophobicContact CB-CZ2 4.23Å; A363-W420 HydrophobicContact CB-CH2 3.87Å; A363-W420 HydrophobicContact CB-CZ3 4.08Å; L366-W420 HydrophobicContact CD1-CE3 3.93Å; L366-W420 HydrophobicContact CD1-CH2 4.33Å; L366-W420 HydrophobicContact CD1-CZ3 3.45Å; L366-W420 VanDerWaalsContact CD1-CZ3 3.45Å; L407-W420 HydrophobicContact CD1-CD2 4.19Å; L407-W420 HydrophobicContact CD1-CE3 4.2Å; L407-W420 HydrophobicContact CD1-CZ3 4.48Å; L407-W420 HydrophobicContact CD2-CB 3.95Å; L407-W420 HydrophobicContact CD2-CD2 4.21Å; L407-W420 HydrophobicContact CD2-CE3 4.49Å; L407-W420 HydrophobicContact CD2-CG 4Å; Y410-W420 HydrophobicContact CD1-CZ3 4.06Å; Y410-W420 HydrophobicContact CG-CZ3 4.24Å; W420-V422 HydrophobicContact CB-CG2 3.88Å; W420-R437 VanDerWaalsContact O-CA 3.24Å; W420-R437 WeakPolarHBondContact O-CA 3.24Å; W420-M438 HydrophobicContact CB-CB 4.43Å; W420-M438 PolarHBondContact N-O 3.45Å; W420-M438 PolarHBondContact O-N 2.87Å; W420-M438 VanDerWaalsContact O-N 3.15Å; W420-R440 HydrophobicContact CD2-CB 4.18Å; W420-R440 HydrophobicContact CD2-CG 4.02Å; W420-R440 HydrophobicContact CG-CB 4.1Å; W420-R440 HydrophobicContact CG-CG 4.44Å; W420-R440 HydrophobicContact CH2-CG 4.21Å; W420-R440 HydrophobicContact CZ2-CG 3.55Å
421	I	98.9	Very high	97.4	Very high	16 Å²	16	43 Å²	43	8%	0.082	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	122.9	165.2	-55.3	170.2	0	0	0	106.6	D248 V408 G409 F419 Y435	D248-I421 HydrophobicContact CB-CD1 4.19Å; V408-I421 HydrophobicContact CG2-CB 4.1Å; V408-I421 HydrophobicContact CG2-CG2 3.63Å; V408-I421 WeakPolarHBondContact CG2-O 3.32Å; V408-I421 PolarHBondContact N-O 2.98Å; G409-I421 PolarHBondContact N-O 2.83Å; G409-I421 PolarHBondContact O-N 2.9Å; F419-I421 HydrophobicContact CD2-CG1 4.06Å; F419-I421 HydrophobicContact CE2-CD1 4.2Å; F419-I421 HydrophobicContact CE2-CG1 3.68Å; I421-Y435 HydrophobicContact CG2-CD1 4.44Å
422	V	98.9	Very high	97.4	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	126.3	-169.8	-164.7	0	0	0	0	110.1	V405 L406 L407 W420 Y435 F436 M438 I447	V405-V422 HydrophobicContact CB-CG1 3.59Å; V405-V422 HydrophobicContact CG1-CG1 4.46Å; V405-V422 HydrophobicContact CG2-CG1 3.43Å; V405-V422 VanDerWaalsContact CG2-CG1 3.43Å; L406-V422 CarbonylContact O-C 3.55Å; L406-V422 WeakPolarHBondContact O-CA 3.33Å; L406-V422 WeakPolarHBondContact O-CG1 3.42Å; L407-V422 HydrophobicContact CD2-CG1 4.34Å; L407-V422 HydrophobicContact CD2-CG2 3.74Å; W420-V422 HydrophobicContact CB-CG2 3.88Å; V422-Y435 CarbonylContact O-C 3.19Å; V422-Y435 WeakPolarHBondContact O-CA 3.4Å; V422-Y435 WeakPolarHBondContact O-CB 3.42Å; V422-Y435 WeakPolarHBondContact O-CD1 3.27Å; V422-F436 HydrophobicContact CB-CD1 3.89Å; V422-F436 HydrophobicContact CB-CD2 4.25Å; V422-F436 HydrophobicContact CB-CE1 3.49Å; V422-F436 VanDerWaalsContact CB-CE1 3.49Å; V422-F436 HydrophobicContact CB-CE2 3.86Å; V422-F436 HydrophobicContact CB-CG 4.26Å; V422-F436 HydrophobicContact CB-CZ 3.47Å; V422-F436 VanDerWaalsContact CB-CZ 3.47Å; V422-F436 HydrophobicContact CG1-CD1 4.28Å; V422-F436 HydrophobicContact CG1-CE1 3.42Å; V422-F436 VanDerWaalsContact CG1-CE1 3.42Å; V422-F436 HydrophobicContact CG1-CE2 4.22Å; V422-F436 HydrophobicContact CG1-CZ 3.38Å; V422-F436 HydrophobicContact CG2-CD2 4.31Å; V422-F436 HydrophobicContact CG2-CE1 4.35Å; V422-F436 HydrophobicContact CG2-CE2 3.82Å; V422-F436 HydrophobicContact CG2-CZ 3.85Å; V422-F436 PolarHBondContact N-O 3.4Å; V422-F436 PolarHBondContact O-N 3.03Å; V422-M438 HydrophobicContact CG2-CB 4.47Å; V422-I447 HydrophobicContact CG2-CD1 4.06Å
423	K	98.8	Very high	97.4	Very high	19 Å²	19	49.6 Å²	49.6	8%	0.083	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	129.5	171.7	-172.9	178.5	176.5	178.9	0	108.9	V255 T256 E257 V258 L406 V408 Y435	V255-K423 HydrophobicContact CG1-CD 3.68Å; T256-K423 PolarHBondContact O-NZ 3.28Å; T256-K423 PolarHBondContact OG1-NZ 2.97Å; E257-K423 VanDerWaalsContact O-CE 3.28Å; E257-K423 WeakPolarHBondContact O-CE 3.35Å; E257-K423 PolarHBondContact O-NZ 3.49Å; V258-K423 HydrophobicContact CG2-CG 4.25Å; L406-K423 HydrophobicContact CB-CB 4.22Å; L406-K423 HydrophobicContact CD2-CD 4.32Å; L406-K423 PolarHBondContact N-O 2.81Å; L406-K423 PolarHBondContact O-N 2.87Å; V408-K423 HydrophobicContact CG1-CB 3.92Å; K423-Y435 HydrophobicContact CB-CD1 3.85Å; K423-Y435 HydrophobicContact CB-CE1 3.49Å; K423-Y435 VanDerWaalsContact CB-CE1 3.49Å; K423-Y435 HydrophobicContact CD-CE1 4.21Å; K423-Y435 HydrophobicContact CG-CD1 4.29Å; K423-Y435 HydrophobicContact CG-CE1 3.66Å
424	N	98.4	Very high	97.5	Very high	5 Å²	5	48.5 Å²	48.5	3%	0.027	25%	0.248	C	C	.	.			trans	-107.3	169.7	175.8	-157.2	0.6	0	0	0	110.8	H403 W426 W430 G434 F436	H403-N424 PolarHBondContact NE2-OD1 3Å; N424-W426 WeakPolarHBondContact ND2-CZ3 3.45Å; N424-W430 HydrophobicContact CB-CE3 4.1Å; N424-W430 HydrophobicContact CB-CH2 4.32Å; N424-W430 HydrophobicContact CB-CZ3 3.59Å; N424-W430 WeakPolarHBondContact ND2-CH2 3.37Å; N424-W430 WeakPolarHBondContact ND2-CZ3 3.23Å; N424-G434 WeakPolarHBondContact CB-O 3.26Å; N424-G434 PolarHBondContact N-O 3.39Å; N424-F436 HydrophobicContact CB-CD1 4.28Å; N424-F436 HydrophobicContact CB-CE1 4.3Å
425	S	97.9	Very high	97.8	Very high	6 Å²	6	40 Å²	40	4%	0.042	21%	0.208	C	C	.	.	S	Bend	trans	-111.1	32	-178.2	47.5	0	0	0	0	112.4	K259 N260 Q261	K259-S425 CarbonylContact O-C 3.57Å; N260-S425 CarbonylContact C-O 3.44Å; N260-S425 WeakPolarHBondContact CA-O 3.43Å; Q261-S425 WeakPolarHBondContact CG-O 3.5Å; Q261-S425 PolarHBondContact N-O 2.05Å; Q261-S425 PolarHBondContact OE1-OG 2.84Å
426	W	97.9	Very high	98.1	Very high	2 Å²	2	32 Å²	32	1%	0.008	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-114.2	21.3	-171	-67.6	-3.3	0	0	0	113	Y206 F214 H218 L219 Q261 A378 L381 H403 N424 W430	Y206-W426 HydrophobicContact CD2-CE3 4.46Å; Y206-W426 HydrophobicContact CE2-CB 3.83Å; Y206-W426 HydrophobicContact CE2-CD2 4.24Å; Y206-W426 HydrophobicContact CE2-CE3 4.08Å; Y206-W426 HydrophobicContact CE2-CG 4.14Å; Y206-W426 WeakPolarHBondContact OH-CA 3.33Å; Y206-W426 VanDerWaalsContact OH-CB 3.24Å; Y206-W426 WeakPolarHBondContact OH-CB 3.29Å; Y206-W426 PolarHBondContact OH-O 2.87Å; F214-W426 HydrophobicContact CE1-CH2 4.02Å; F214-W426 HydrophobicContact CE1-CZ2 4.41Å; F214-W426 HydrophobicContact CE2-CH2 4.44Å; F214-W426 HydrophobicContact CE2-CZ3 4.44Å; F214-W426 HydrophobicContact CZ-CE3 4.18Å; F214-W426 AromaticContact CZ-CH2 3.41Å; F214-W426 HydrophobicContact CZ-CH2 3.41Å; F214-W426 VanDerWaalsContact CZ-CH2 3.41Å; F214-W426 AromaticContact CZ-CZ2 3.77Å; F214-W426 HydrophobicContact CZ-CZ2 3.77Å; F214-W426 AromaticContact CZ-CZ3 3.63Å; F214-W426 HydrophobicContact CZ-CZ3 3.63Å; H218-W426 HydrophobicContact CB-CZ2 4.07Å; H218-W426 AromaticContact CD2-CD1 3.62Å; H218-W426 AromaticContact CD2-NE1 3.62Å; L219-W426 HydrophobicContact CD2-CH2 4.08Å; L219-W426 HydrophobicContact CD2-CZ2 3.71Å; Q261-W426 VanDerWaalsContact OE1-CD1 3.23Å; A378-W426 HydrophobicContact CB-CH2 4.25Å; L381-W426 HydrophobicContact CB-CH2 3.93Å; L381-W426 HydrophobicContact CB-CZ3 3.8Å; H403-W426 AromaticContact CD2-CZ2 3.72Å; H403-W426 AromaticContact CE1-CE2 3.92Å; H403-W426 AromaticContact CE1-CZ2 3.8Å; H403-W426 AromaticContact CE1-NE1 3.64Å; H403-W426 AromaticContact NE2-CE2 3.67Å; H403-W426 AromaticContact NE2-CZ2 3.39Å; H403-W426 WeakPolarHBondContact NE2-CZ2 3.28Å; H403-W426 AromaticContact NE2-NE1 3.79Å; N424-W426 WeakPolarHBondContact ND2-CZ3 3.45Å; W426-W430 HydrophobicContact CB-CB 4.22Å; W426-W430 HydrophobicContact CB-CD2 4.29Å; W426-W430 HydrophobicContact CB-CE3 4.43Å; W426-W430 HydrophobicContact CB-CG 4.18Å; W426-W430 AromaticContact CE3-CD1 3.97Å; W426-W430 AromaticContact CE3-CD2 3.73Å; W426-W430 HydrophobicContact CE3-CD2 3.73Å; W426-W430 AromaticContact CZ3-CZ2 3.61Å; W426-W430 AromaticContact CE3-CE2 3.41Å; W426-W430 AromaticContact CZ3-NE1 3.82Å; W426-W430 HydrophobicContact CZ3-CZ2 3.61Å; W426-W430 HydrophobicContact CZ3-CH2 4.32Å; W426-W430 AromaticContact CZ3-CE2 3.68Å; W426-W430 HydrophobicContact CZ3-CD2 4.44Å; W426-W430 AromaticContact CE3-NE1 3.55Å; W426-W430 HydrophobicContact CE3-CZ2 3.75Å; W426-W430 AromaticContact CE3-CZ2 3.75Å; W426-W430 HydrophobicContact CE3-CH2 4.34Å; W426-W430 HydrophobicContact CE3-CG 4.11Å; W426-W430 HydrophobicContact CE3-CE3 4.33Å; W426-W430 VanDerWaalsContact CE3-CE2 3.41Å
427	G	98.1	Very high	98.3	Very high	9 Å²	9	30 Å²	30	9%	0.093	16%	0.157	C	C	.	.			trans	73.2	165.7	-178.9	0	0	0	0	0	114.3	K259 E429 W430 G434	K259-G427 WeakPolarHBondContact O-CA 3.44Å; K259-G427 PolarHBondContact O-N 2.96Å; G427-E429 VanDerWaalsContact C-N 3.29Å; G427-E429 PolarHBondContact O-N 2.83Å; G427-W430 PolarHBondContact O-N 3.31Å; G427-G434 WeakPolarHBondContact O-CA 3.27Å
428	V	98.2	Very high	98.4	Very high	78 Å²	78	28 Å²	28	47%	0.473	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-20.6	-175.1	-64.8	0	0	0	0	113.9	V258 W430 N433	V258-V428 HydrophobicContact CB-CG1 3.93Å; V258-V428 HydrophobicContact CG1-CG1 4.32Å; V428-W430 PolarHBondContact O-N 2.82Å; V428-N433 VanDerWaalsContact O-CA 3.31Å; V428-N433 WeakPolarHBondContact O-CA 3.09Å
429	E	97.5	Very high	98.5	Very high	115 Å²	115	29.2 Å²	29.2	54%	0.537	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-11.2	179.6	-66.7	-63.1	145.3	0	0	113.2	Y165 P205 G427	Y165-E429 HydrophobicContact CD1-CB 4.22Å; Y165-E429 HydrophobicContact CE1-CB 4.15Å; P205-E429 HydrophobicContact CG-CB 4.07Å; G427-E429 VanDerWaalsContact C-N 3.29Å; G427-E429 PolarHBondContact O-N 2.83Å
430	W	98.4	Very high	98.4	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.151	C	C	.	.	S	Bend	trans	-99.7	144	176.8	177.9	90.8	0	0	0	111.1	P205 Y206 L381 Y384 N424 W426 G427 V428 G434 F436	P205-W430 HydrophobicContact CG-CB 4.28Å; Y206-W430 AromaticContact CD2-CD1 3.69Å; Y206-W430 HydrophobicContact CD2-CG 4.5Å; Y206-W430 HydrophobicContact CE2-CB 4.12Å; Y206-W430 AromaticContact CE2-CD1 3.59Å; Y206-W430 AromaticContact CE2-CG 3.97Å; Y206-W430 HydrophobicContact CE2-CG 3.97Å; L381-W430 HydrophobicContact CB-CZ2 3.94Å; L381-W430 VanDerWaalsContact O-CZ2 3.26Å; L381-W430 WeakPolarHBondContact O-CZ2 3.2Å; L381-W430 PolarHBondContact O-NE1 2.67Å; Y384-W430 AromaticContact CD1-CH2 3.85Å; Y384-W430 HydrophobicContact CD1-CH2 3.85Å; Y384-W430 AromaticContact CD1-CZ2 3.79Å; Y384-W430 HydrophobicContact CD1-CZ2 3.79Å; Y384-W430 HydrophobicContact CE1-CH2 4.5Å; Y384-W430 HydrophobicContact CG-CZ2 4.23Å; N424-W430 HydrophobicContact CB-CE3 4.1Å; N424-W430 HydrophobicContact CB-CH2 4.32Å; N424-W430 HydrophobicContact CB-CZ3 3.59Å; N424-W430 WeakPolarHBondContact ND2-CH2 3.37Å; N424-W430 WeakPolarHBondContact ND2-CZ3 3.23Å; W426-W430 HydrophobicContact CB-CB 4.22Å; W426-W430 HydrophobicContact CB-CD2 4.29Å; W426-W430 HydrophobicContact CB-CE3 4.43Å; W426-W430 HydrophobicContact CB-CG 4.18Å; W426-W430 AromaticContact CE3-CD1 3.97Å; W426-W430 AromaticContact CE3-CD2 3.73Å; W426-W430 HydrophobicContact CE3-CD2 3.73Å; W426-W430 AromaticContact CZ3-CZ2 3.61Å; W426-W430 AromaticContact CE3-CE2 3.41Å; W426-W430 AromaticContact CZ3-NE1 3.82Å; W426-W430 HydrophobicContact CZ3-CZ2 3.61Å; W426-W430 HydrophobicContact CZ3-CH2 4.32Å; W426-W430 AromaticContact CZ3-CE2 3.68Å; W426-W430 HydrophobicContact CZ3-CD2 4.44Å; W426-W430 AromaticContact CE3-NE1 3.55Å; W426-W430 HydrophobicContact CE3-CZ2 3.75Å; W426-W430 AromaticContact CE3-CZ2 3.75Å; W426-W430 HydrophobicContact CE3-CH2 4.34Å; W426-W430 HydrophobicContact CE3-CG 4.11Å; W426-W430 HydrophobicContact CE3-CE3 4.33Å; W426-W430 VanDerWaalsContact CE3-CE2 3.41Å; G427-W430 PolarHBondContact O-N 3.31Å; V428-W430 PolarHBondContact O-N 2.82Å; W430-G434 PolarHBondContact O-N 2.89Å; W430-G434 WeakPolarHBondContact O-CA 3.25Å; W430-G434 VanDerWaalsContact O-CA 3.29Å; W430-F436 HydrophobicContact CZ3-CD1 3.89Å; W430-F436 HydrophobicContact CZ3-CG 4.47Å; W430-F436 AromaticContact CZ3-CD1 3.89Å; W430-F436 HydrophobicContact CZ3-CB 4.21Å; W430-F436 HydrophobicContact CH2-CG 3.96Å; W430-F436 AromaticContact CH2-CG 3.96Å; W430-F436 HydrophobicContact CH2-CE1 4.45Å; W430-F436 HydrophobicContact CH2-CD1 3.62Å; W430-F436 AromaticContact CH2-CD1 3.62Å; W430-F436 HydrophobicContact CH2-CB 3.83Å
431	G	98.6	Very high	98.3	Very high	22 Å²	22	32.5 Å²	32.5	23%	0.227	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.2	-145	174.1	0	0	0	0	0	114.2	Q385 N433	Q385-G431 CarbonylContact O-C 3.59Å; Q385-G431 WeakPolarHBondContact O-CA 3.38Å; G431-N433 PolarHBondContact O-N 2.88Å
432	E	98.6	Very high	98.1	Very high	45 Å²	45	34.2 Å²	34.2	21%	0.21	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-87.6	71.8	177	-59	-176.4	166.6	0	0	110	Y384 Q385 H386 G387 G434 Y435 R437	Y384-E432 HydrophobicContact CE1-CG 4.29Å; Y384-E432 PolarHBondContact OH-OE1 3.01Å; Q385-E432 PolarHBondContact O-N 3.3Å; H386-E432 HydrophobicContact CB-CG 3.74Å; G387-E432 PolarHBondContact N-OE1 2.77Å; E432-G434 VanDerWaalsContact C-N 3.31Å; E432-G434 PolarHBondContact O-N 3.04Å; E432-Y435 WeakPolarHBondContact CB-O 3.33Å; E432-Y435 PolarHBondContact N-O 2.56Å; E432-Y435 WeakPolarHBondContact O-CB 3.09Å; E432-Y435 PolarHBondContact O-N 2.85Å; E432-R437 IonicContact OE2-CZ 2.81Å; E432-R437 IonicContact OE2-NE 2.89Å; E432-R437 PolarHBondContact OE2-NE 2.86Å; E432-R437 IonicContact OE2-NH2 3.08Å; E432-R437 IonicContact OE1-CZ 2.97Å; E432-R437 IonicContact OE1-NH2 3.8Å; E432-R437 PolarHBondContact OE1-NE 2.91Å; E432-R437 IonicContact OE1-NE 3.85Å; E432-R437 VanDerWaalsContact OE1-CZ 3.3Å; E432-R437 PolarHBondContact OE1-NH2 3.48Å
433	N	98.3	Very high	98	Very high	125 Å²	125	34.3 Å²	34.3	67%	0.668	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.3	42.4	-173.7	-57.4	-55.2	0	0	0	112.9	V428 G431 Y435	V428-N433 VanDerWaalsContact O-CA 3.31Å; V428-N433 WeakPolarHBondContact O-CA 3.09Å; G431-N433 PolarHBondContact O-N 2.88Å; N433-Y435 WeakPolarHBondContact O-CD2 3.31Å
434	G	98.6	Very high	97.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.9	2.7	-177.2	0	0	0	0	0	115.7	N424 G427 W430 E432	N424-G434 WeakPolarHBondContact CB-O 3.26Å; N424-G434 PolarHBondContact N-O 3.39Å; G427-G434 WeakPolarHBondContact O-CA 3.27Å; W430-G434 PolarHBondContact O-N 2.89Å; W430-G434 WeakPolarHBondContact O-CA 3.25Å; W430-G434 VanDerWaalsContact O-CA 3.29Å; E432-G434 VanDerWaalsContact C-N 3.31Å; E432-G434 PolarHBondContact O-N 3.04Å
435	Y	98.9	Very high	97.8	Very high	25 Å²	25	33.5 Å²	33.5	10%	0.098	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	163.9	174.8	-62.5	-96.3	0	0	0	110.9	R250 V258 V408 I421 V422 K423 E432 N433	R250-Y435 VanDerWaalsContact CD-CE1 3.43Å; R250-Y435 HydrophobicContact CG-CE1 4.33Å; V258-Y435 HydrophobicContact CG2-CD2 3.97Å; V258-Y435 HydrophobicContact CG2-CE2 3.37Å; V408-Y435 HydrophobicContact CG2-CD1 4.28Å; V408-Y435 HydrophobicContact CG2-CE1 4.11Å; I421-Y435 HydrophobicContact CG2-CD1 4.44Å; V422-Y435 CarbonylContact O-C 3.19Å; V422-Y435 WeakPolarHBondContact O-CA 3.4Å; V422-Y435 WeakPolarHBondContact O-CB 3.42Å; V422-Y435 WeakPolarHBondContact O-CD1 3.27Å; K423-Y435 HydrophobicContact CB-CD1 3.85Å; K423-Y435 HydrophobicContact CB-CE1 3.49Å; K423-Y435 VanDerWaalsContact CB-CE1 3.49Å; K423-Y435 HydrophobicContact CD-CE1 4.21Å; K423-Y435 HydrophobicContact CG-CD1 4.29Å; K423-Y435 HydrophobicContact CG-CE1 3.66Å; E432-Y435 WeakPolarHBondContact CB-O 3.33Å; E432-Y435 PolarHBondContact N-O 2.56Å; E432-Y435 WeakPolarHBondContact O-CB 3.09Å; E432-Y435 PolarHBondContact O-N 2.85Å; N433-Y435 WeakPolarHBondContact O-CD2 3.31Å
436	F	98.8	Very high	97.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	162.2	165.1	66.1	-80.1	0	0	0	110.6	M376 L381 Y384 V405 V422 N424 W430 M438	M376-F436 HydrophobicContact CE-CE2 4.37Å; M376-F436 HydrophobicContact CE-CZ 4.41Å; M376-F436 HydrophobicContact SD-CE2 3.96Å; M376-F436 HydrophobicContact SD-CZ 3.55Å; M376-F436 VanDerWaalsContact SD-CZ 3.55Å; L381-F436 HydrophobicContact CD1-CD1 4.28Å; L381-F436 HydrophobicContact CD1-CD2 4.06Å; L381-F436 HydrophobicContact CD1-CE1 3.91Å; L381-F436 HydrophobicContact CD1-CE2 3.69Å; L381-F436 HydrophobicContact CD1-CG 4.34Å; L381-F436 HydrophobicContact CD1-CZ 3.59Å; L381-F436 HydrophobicContact CD2-CD2 4.19Å; L381-F436 HydrophobicContact CD2-CE2 4.46Å; Y384-F436 HydrophobicContact CD1-CB 3.78Å; Y384-F436 HydrophobicContact CE1-CB 3.27Å; Y384-F436 HydrophobicContact CE2-CB 4.1Å; Y384-F436 HydrophobicContact CG-CB 4.4Å; Y384-F436 VanDerWaalsContact CZ-CB 3.44Å; Y384-F436 WeakPolarHBondContact OH-CA 3.47Å; V405-F436 HydrophobicContact CG1-CE1 4.23Å; V405-F436 HydrophobicContact CG1-CZ 4.42Å; V405-F436 HydrophobicContact CG2-CZ 4.37Å; V422-F436 HydrophobicContact CB-CD1 3.89Å; V422-F436 HydrophobicContact CB-CD2 4.25Å; V422-F436 HydrophobicContact CB-CE1 3.49Å; V422-F436 VanDerWaalsContact CB-CE1 3.49Å; V422-F436 HydrophobicContact CB-CE2 3.86Å; V422-F436 HydrophobicContact CB-CG 4.26Å; V422-F436 HydrophobicContact CB-CZ 3.47Å; V422-F436 VanDerWaalsContact CB-CZ 3.47Å; V422-F436 HydrophobicContact CG1-CD1 4.28Å; V422-F436 HydrophobicContact CG1-CE1 3.42Å; V422-F436 VanDerWaalsContact CG1-CE1 3.42Å; V422-F436 HydrophobicContact CG1-CE2 4.22Å; V422-F436 HydrophobicContact CG1-CZ 3.38Å; V422-F436 HydrophobicContact CG2-CD2 4.31Å; V422-F436 HydrophobicContact CG2-CE1 4.35Å; V422-F436 HydrophobicContact CG2-CE2 3.82Å; V422-F436 HydrophobicContact CG2-CZ 3.85Å; V422-F436 PolarHBondContact N-O 3.4Å; V422-F436 PolarHBondContact O-N 3.03Å; N424-F436 HydrophobicContact CB-CD1 4.28Å; N424-F436 HydrophobicContact CB-CE1 4.3Å; W430-F436 HydrophobicContact CZ3-CD1 3.89Å; W430-F436 HydrophobicContact CZ3-CG 4.47Å; W430-F436 AromaticContact CZ3-CD1 3.89Å; W430-F436 HydrophobicContact CZ3-CB 4.21Å; W430-F436 HydrophobicContact CH2-CG 3.96Å; W430-F436 AromaticContact CH2-CG 3.96Å; W430-F436 HydrophobicContact CH2-CE1 4.45Å; W430-F436 HydrophobicContact CH2-CD1 3.62Å; W430-F436 AromaticContact CH2-CD1 3.62Å; W430-F436 HydrophobicContact CH2-CB 3.83Å; F436-M438 HydrophobicContact CD2-CB 4.31Å; F436-M438 HydrophobicContact CD2-CE 4.12Å; F436-M438 HydrophobicContact CE2-CB 4.03Å; F436-M438 HydrophobicContact CE2-CE 3.67Å
437	R	98.8	Very high	97.6	Very high	70 Å²	70	33.2 Å²	33.2	26%	0.264	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	132	172.3	-68.7	175.4	-72.4	158.6	0.9	109.7	Y384 I388 S389 F419 W420 E432	Y384-R437 PolarHBondContact OH-N 2.77Å; Y384-R437 VanDerWaalsContact OH-N 3.16Å; I388-R437 HydrophobicContact CG1-CB 4.14Å; S389-R437 PolarHBondContact N-O 3.17Å; F419-R437 HydrophobicContact CD2-CB 4.14Å; F419-R437 HydrophobicContact CD2-CG 3.84Å; F419-R437 HydrophobicContact CE2-CG 4.11Å; W420-R437 VanDerWaalsContact O-CA 3.24Å; W420-R437 WeakPolarHBondContact O-CA 3.24Å; E432-R437 IonicContact OE2-CZ 2.81Å; E432-R437 IonicContact OE2-NE 2.89Å; E432-R437 PolarHBondContact OE2-NE 2.86Å; E432-R437 IonicContact OE2-NH2 3.08Å; E432-R437 IonicContact OE1-CZ 2.97Å; E432-R437 IonicContact OE1-NH2 3.8Å; E432-R437 PolarHBondContact OE1-NE 2.91Å; E432-R437 IonicContact OE1-NE 3.85Å; E432-R437 VanDerWaalsContact OE1-CZ 3.3Å; E432-R437 PolarHBondContact OE1-NH2 3.48Å
438	M	98.5	Very high	97.4	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	138.8	-179.7	-174.9	61.8	66.9	0	0	109	M376 L381 F419 W420 V422 F436 R440 T444 I447	M376-M438 HydrophobicContact CE-CE 3.59Å; M376-M438 HydrophobicContact SD-CE 4.49Å; L381-M438 HydrophobicContact CD2-CE 4.27Å; F419-M438 CarbonylContact C-O 3.49Å; F419-M438 WeakPolarHBondContact CA-O 3.07Å; F419-M438 WeakPolarHBondContact CB-O 3.45Å; W420-M438 HydrophobicContact CB-CB 4.43Å; W420-M438 PolarHBondContact N-O 3.45Å; W420-M438 PolarHBondContact O-N 2.87Å; W420-M438 VanDerWaalsContact O-N 3.15Å; V422-M438 HydrophobicContact CG2-CB 4.47Å; F436-M438 HydrophobicContact CD2-CB 4.31Å; F436-M438 HydrophobicContact CD2-CE 4.12Å; F436-M438 HydrophobicContact CE2-CB 4.03Å; F436-M438 HydrophobicContact CE2-CE 3.67Å; M438-R440 PolarHBondContact O-N 3.07Å; M438-T444 HydrophobicContact CG-CG2 4.11Å; M438-T444 HydrophobicContact SD-CG2 3.27Å; M438-T444 WeakPolarHBondContact SD-CG2 3.32Å; M438-I447 HydrophobicContact CB-CD1 4.25Å; M438-I447 HydrophobicContact CG-CD1 4.17Å
439	Y	98.4	Very high	97.1	Very high	53 Å²	53	32.2 Å²	32.2	21%	0.208	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	137.2	174.1	-178.6	-90.6	0	0	0	110.8	S389 H390 P418 D442	S389-Y439 PolarHBondContact O-N 3Å; H390-Y439 HydrophobicContact CB-CG 4.2Å; H390-Y439 AromaticContact CD2-CD1 3.62Å; H390-Y439 AromaticContact CD2-CG 3.64Å; H390-Y439 AromaticContact CE1-CD1 3.57Å; H390-Y439 AromaticContact CE1-CD2 3.99Å; H390-Y439 AromaticContact CE1-CE1 3.66Å; H390-Y439 AromaticContact CE1-CG 3.74Å; H390-Y439 AromaticContact CE1-CZ 3.91Å; H390-Y439 AromaticContact CG-CG 3.67Å; H390-Y439 AromaticContact ND1-CD2 3.86Å; H390-Y439 AromaticContact ND1-CG 3.79Å; H390-Y439 AromaticContact NE2-CD1 3.27Å; H390-Y439 VanDerWaalsContact NE2-CD1 3.27Å; H390-Y439 WeakPolarHBondContact NE2-CD1 3.28Å; H390-Y439 AromaticContact NE2-CE1 3.66Å; H390-Y439 AromaticContact NE2-CG 3.68Å; P418-Y439 HydrophobicContact CG-CE2 4.17Å; Y439-D442 WeakPolarHBondContact CD1-OD1 3.47Å; Y439-D442 HydrophobicContact CE1-CB 4.3Å
440	R	97.9	Very high	96.8	Very high	38 Å²	38	27.8 Å²	27.8	14%	0.143	16%	0.155	C	C	.	.			trans	-115.7	134	-179.2	173.8	174.8	65.9	81.4	-0.4	109.5	E359 P418 W420 M438	E359-R440 HydrophobicContact CB-CG 4.26Å; P418-R440 HydrophobicContact CB-CB 4.27Å; P418-R440 WeakPolarHBondContact CB-O 3.01Å; P418-R440 WeakPolarHBondContact CG-O 3.39Å; P418-R440 PolarHBondContact O-N 2.83Å; W420-R440 HydrophobicContact CD2-CB 4.18Å; W420-R440 HydrophobicContact CD2-CG 4.02Å; W420-R440 HydrophobicContact CG-CB 4.1Å; W420-R440 HydrophobicContact CG-CG 4.44Å; W420-R440 HydrophobicContact CH2-CG 4.21Å; W420-R440 HydrophobicContact CZ2-CG 3.55Å; M438-R440 PolarHBondContact O-N 3.07Å
441	G	96.1	Very high	96.6	Very high	55 Å²	55	28 Å²	28	57%	0.567	16%	0.156	S	C	*	.	S	Bend	trans	127.4	-9.5	172	0	0	0	0	0	114.2	E359	E359-G441 VanDerWaalsContact CD-N 3.3Å; E359-G441 PolarHBondContact OE1-N 3Å; E359-G441 WeakPolarHBondContact OE2-CA 3.33Å; E359-G441 PolarHBondContact OE2-N 3.12Å
442	D	95.4	Very high	96.5	Very high	52 Å²	52	27 Å²	27	28%	0.278	15%	0.146	S	C	.	.	S	Bend	trans	-127.3	11.6	171.5	72.9	-3.8	0	0	0	113.1	E359 H390 K398 Y439 T444	E359-D442 PolarHBondContact OE2-N 2.83Å; H390-D442 IonicContact CD2-OD2 2.74Å; H390-D442 IonicContact CE1-OD2 2.99Å; H390-D442 IonicContact NE2-OD1 2.78Å; H390-D442 IonicContact NE2-OD2 3.13Å; H390-D442 PolarHBondContact NE2-OD2 2.9Å; K398-D442 VanDerWaalsContact CE-O 3.29Å; K398-D442 WeakPolarHBondContact CE-O 3.46Å; K398-D442 PolarHBondContact NZ-O 2.9Å; Y439-D442 WeakPolarHBondContact CD1-OD1 3.47Å; Y439-D442 HydrophobicContact CE1-CB 4.3Å; D442-T444 PolarHBondContact OD1-N 3.15Å; D442-T444 PolarHBondContact OD1-OG1 2.98Å; D442-T444 VanDerWaalsContact OD1-N 3.09Å
443	G	95.8	Very high	96.4	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.01	14%	0.136	C	C	.	.			trans	61.1	42.9	-175.1	0	0	0	0	0	112.6	E359 K398 C445 G446 N448	E359-G443 PolarHBondContact OE2-N 3.44Å; K398-G443 WeakPolarHBondContact CD-O 3.45Å; K398-G443 VanDerWaalsContact CE-O 3.25Å; K398-G443 WeakPolarHBondContact CE-O 3.46Å; G443-C445 PolarHBondContact O-N 2.86Å; G443-G446 PolarHBondContact O-N 2.82Å; G443-N448 WeakPolarHBondContact CA-OD1 3.48Å
444	T	97.3	Very high	96.3	Very high	5 Å²	5	18.9 Å²	18.9	3%	0.031	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-49.3	132.5	179.5	-68.5	0	0	0	0	110.1	H390 P391 M438 D442 G446 I447	H390-T444 PolarHBondContact CD2-OG1 3.34Å; P391-T444 HydrophobicContact CG-CG2 4.19Å; M438-T444 HydrophobicContact CG-CG2 4.11Å; M438-T444 HydrophobicContact SD-CG2 3.27Å; M438-T444 WeakPolarHBondContact SD-CG2 3.32Å; D442-T444 PolarHBondContact OD1-N 3.15Å; D442-T444 PolarHBondContact OD1-OG1 2.98Å; D442-T444 VanDerWaalsContact OD1-N 3.09Å; T444-G446 PolarHBondContact O-N 3.47Å; T444-I447 WeakPolarHBondContact O-CB 3.27Å; T444-I447 WeakPolarHBondContact O-CG2 3.09Å; T444-I447 PolarHBondContact O-N 3Å; T444-I447 VanDerWaalsContact O-N 3.15Å
445	C	95.8	Very high	96.2	Very high	3 Å²	3	20.8 Å²	20.8	2%	0.02	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	57.9	14.7	-178.9	-65.3	0	0	0	0	115.8	M376 N377 C396 G443 I447	M376-C445 WeakPolarHBondContact CA-O 3.39Å; M376-C445 HydrophobicContact CB-CB 4.44Å; M376-C445 HydrophobicContact CE-CB 3.84Å; N377-C445 PolarHBondContact N-O 2.88Å; N377-C445 WeakPolarHBondContact O-CB 3.42Å; C396-C445 HydrophobicContact CB-CB 4.09Å; C396-C445 WeakPolarHBondContact CB-SG 3.35Å; C396-C445 WeakPolarHBondContact SG-CA 3.45Å; C396-C445 WeakPolarHBondContact SG-CB 3.43Å; C396-C445 CovalentContact SG-SG 2.01Å; C396-C445 PolarHBondContact SG-SG 3.24Å; G443-C445 PolarHBondContact O-N 2.86Å; C445-I447 VanDerWaalsContact C-N 3.28Å; C445-I447 PolarHBondContact O-N 3.46Å
446	G	94.9	Very high	96	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	73.7	17	-177.6	0	0	0	0	0	114.1	G443 T444 N448 T449	G443-G446 PolarHBondContact O-N 2.82Å; T444-G446 PolarHBondContact O-N 3.47Å; G446-N448 PolarHBondContact O-N 3.33Å; G446-T449 VanDerWaalsContact O-CB 3.27Å; G446-T449 WeakPolarHBondContact O-CB 3.44Å; G446-T449 PolarHBondContact O-N 2.82Å; G446-T449 PolarHBondContact O-OG1 2.89Å
447	I	96.2	Very high	95.6	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-20.7	-175.1	-161.8	166.5	0	0	0	114.3	V374 G375 M376 L407 V422 M438 T444 C445	V374-I447 HydrophobicContact CB-CG1 4.44Å; V374-I447 WeakPolarHBondContact CB-O 2.81Å; V374-I447 HydrophobicContact CG2-CD1 4.4Å; V374-I447 HydrophobicContact CG2-CG1 3.73Å; G375-I447 WeakPolarHBondContact O-CA 3.28Å; M376-I447 HydrophobicContact CB-CB 4.24Å; M376-I447 HydrophobicContact CB-CG1 4.35Å; M376-I447 HydrophobicContact SD-CD1 4.29Å; L407-I447 HydrophobicContact CD2-CD1 3.81Å; L407-I447 HydrophobicContact CD2-CG1 4.26Å; V422-I447 HydrophobicContact CG2-CD1 4.06Å; M438-I447 HydrophobicContact CB-CD1 4.25Å; M438-I447 HydrophobicContact CG-CD1 4.17Å; T444-I447 WeakPolarHBondContact O-CB 3.27Å; T444-I447 WeakPolarHBondContact O-CG2 3.09Å; T444-I447 PolarHBondContact O-N 3Å; T444-I447 VanDerWaalsContact O-N 3.15Å; C445-I447 VanDerWaalsContact C-N 3.28Å; C445-I447 PolarHBondContact O-N 3.46Å
448	N	95	Very high	95.5	Very high	23 Å²	23	26.7 Å²	26.7	12%	0.123	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-5.9	177.7	67.3	-36.3	0	0	0	113.4	Q357 E359 L362 G443 G446	Q357-N448 WeakPolarHBondContact CA-O 3.22Å; Q357-N448 WeakPolarHBondContact CG-O 3.28Å; Q357-N448 PolarHBondContact O-ND2 3.26Å; E359-N448 HydrophobicContact CG-CB 3.72Å; L362-N448 HydrophobicContact CD1-CB 3.84Å; G443-N448 WeakPolarHBondContact CA-OD1 3.48Å; G446-N448 PolarHBondContact O-N 3.33Å
449	T	92.3	Very high	95.3	Very high	44 Å²	44	28.1 Å²	28.1	27%	0.27	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-39	-172.5	-58.7	0	0	0	0	111.6	Q357 K398 L401 G446	Q357-T449 PolarHBondContact NE2-O 3.4Å; Q357-T449 VanDerWaalsContact NE2-O 3.11Å; K398-T449 PolarHBondContact O-OG1 3.11Å; L401-T449 HydrophobicContact CD1-CG2 4.39Å; G446-T449 VanDerWaalsContact O-CB 3.27Å; G446-T449 WeakPolarHBondContact O-CB 3.44Å; G446-T449 PolarHBondContact O-N 2.82Å; G446-T449 PolarHBondContact O-OG1 2.89Å
450	V	91	Very high	95.1	Very high	21 Å²	21	26.7 Å²	26.7	13%	0.127	14%	0.144	C	C	.	.	S	Bend	trans	-129.6	106	177.4	-175.1	0	0	0	0	108.5	W223 V225 V374 G375 L401	W223-V450 HydrophobicContact CE3-CB 4.08Å; W223-V450 HydrophobicContact CE3-CG1 3.74Å; W223-V450 HydrophobicContact CE3-CG2 4.21Å; W223-V450 HydrophobicContact CH2-CG1 4.35Å; W223-V450 HydrophobicContact CZ3-CB 4.03Å; W223-V450 HydrophobicContact CZ3-CG1 3.39Å; V225-V450 HydrophobicContact CG2-CG2 3.7Å; V374-V450 CarbonylContact C-O 3.59Å; V374-V450 VanDerWaalsContact CA-O 3.26Å; V374-V450 WeakPolarHBondContact CA-O 3.15Å; G375-V450 PolarHBondContact N-O 2.51Å; L401-V450 HydrophobicContact CD1-CB 4.09Å; L401-V450 HydrophobicContact CD1-CG2 3.59Å
451	A	94.2	Very high	95	Very high	4 Å²	4	26.1 Å²	26.1	3%	0.033	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	130.3	179.7	0	0	0	0	0	109.6	L355 L362 I372 S373 V374	L355-A451 HydrophobicContact CB-CB 4.02Å; L355-A451 PolarHBondContact N-O 2.93Å; L362-A451 HydrophobicContact CD1-CB 4.28Å; L362-A451 HydrophobicContact CD2-CB 3.66Å; I372-A451 HydrophobicContact CG2-CB 3.94Å; S373-A451 WeakPolarHBondContact O-CA 3.08Å; V374-A451 HydrophobicContact CG1-CB 3.95Å
452	T	95.3	Very high	94.9	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.006	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	157.1	-176.2	-174.9	0	0	0	0	111.7	P310 Y314 V353 I372 S373	P310-T452 HydrophobicContact CB-CG2 3.95Å; Y314-T452 HydrophobicContact CE2-CG2 3.69Å; Y314-T452 WeakPolarHBondContact CE2-OG1 3.47Å; V353-T452 WeakPolarHBondContact O-CA 3.45Å; V353-T452 WeakPolarHBondContact O-CB 3.49Å; V353-T452 PolarHBondContact O-OG1 3.1Å; I372-T452 WeakPolarHBondContact CG2-O 2.89Å; S373-T452 PolarHBondContact N-O 3.24Å; S373-T452 PolarHBondContact O-N 2.88Å
453	S	96.7	Very high	94.9	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	144	176.2	-178.2	0	0	0	0	110.3	N275 Q279 S352 V353	N275-S453 PolarHBondContact ND2-OG 2.85Å; N275-S453 VanDerWaalsContact ND2-OG 3.09Å; Q279-S453 PolarHBondContact NE2-OG 3.31Å; S352-S453 CarbonylContact C-O 3.43Å; S352-S453 VanDerWaalsContact CA-O 3.3Å; S352-S453 WeakPolarHBondContact CA-O 3.16Å; V353-S453 PolarHBondContact N-O 3.34Å; V353-S453 PolarHBondContact O-N 3.31Å; V353-S453 VanDerWaalsContact O-N 3.13Å
454	A	97.3	Very high	94.8	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	155.4	162.1	0	0	0	0	0	111.2	N275 V276 Q279 Y314 I349	N275-A454 WeakPolarHBondContact OD1-CB 3.46Å; N275-A454 PolarHBondContact OD1-N 2.93Å; V276-A454 HydrophobicContact CG2-CB 4.04Å; Q279-A454 PolarHBondContact NE2-O 3.13Å; Y314-A454 HydrophobicContact CD1-CB 3.96Å; Y314-A454 HydrophobicContact CE1-CB 3.79Å; I349-A454 HydrophobicContact CB-CB 4.22Å; I349-A454 HydrophobicContact CD1-CB 4.03Å; I349-A454 HydrophobicContact CG2-CB 3.82Å
455	L	95.9	Very high	94.6	Very high	41 Å²	41	25.4 Å²	25.4	22%	0.215	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	134.7	172.1	-64.3	-176.4	0	0	0	110.1	N350 S351 V353 W365	N350-L455 PolarHBondContact N-O 3.44Å; S351-L455 PolarHBondContact N-O 2.95Å; S351-L455 PolarHBondContact O-N 2.98Å; V353-L455 HydrophobicContact CG1-CD1 3.49Å; V353-L455 VanDerWaalsContact CG1-CD1 3.49Å; V353-L455 HydrophobicContact CG1-CG 4.1Å; V353-L455 HydrophobicContact CG2-CD2 4.29Å; V353-L455 HydrophobicContact CG2-CG 4.35Å; W365-L455 HydrophobicContact CH2-CD2 3.96Å; W365-L455 HydrophobicContact CZ2-CD2 4.1Å
456	I	95.2	Very high	94.5	Very high	7 Å²	7	27.3 Å²	27.3	4%	0.036	13%	0.128	C	C	.	.			trans	-130.2	119.7	174.3	-52.4	164.7	0	0	0	106.8	Q279 W280 K283 Y348 I349 N350	Q279-I456 HydrophobicContact CB-CD1 3.77Å; Q279-I456 HydrophobicContact CB-CG1 4.42Å; W280-I456 HydrophobicContact CB-CD1 4.07Å; W280-I456 HydrophobicContact CE3-CD1 3.78Å; W280-I456 HydrophobicContact CZ3-CG2 4.49Å; K283-I456 HydrophobicContact CB-CB 4.45Å; K283-I456 HydrophobicContact CB-CG2 4.22Å; K283-I456 HydrophobicContact CG-CB 4.47Å; K283-I456 HydrophobicContact CG-CG2 3.81Å; Y348-I456 HydrophobicContact CE2-CG2 4.29Å; I349-I456 HydrophobicContact CB-CG1 4.43Å; I349-I456 HydrophobicContact CG2-CD1 4.45Å; I349-I456 HydrophobicContact CG2-CG1 4.17Å; N350-I456 WeakPolarHBondContact OD1-CA 3.41Å
457	Y	90.2	Very high	94.5	Very high	185 Å²	185	29.7 Å²	29.7	73%	0.725	14%	0.14	S	C	*	.			trans	-122.2	0	-177	52.5	-107.4	0	0	0	113.9	K283 N350	K283-Y457 WeakPolarHBondContact CE-OXT 3.36Å; K283-Y457 PolarHBondContact NZ-OXT 3.19Å; N350-Y457 HydrophobicContact CB-CD1 3.71Å; N350-Y457 HydrophobicContact CB-CE1 3.17Å; N350-Y457 HydrophobicContact CB-CE2 4.09Å; N350-Y457 HydrophobicContact CB-CG 4.36Å; N350-Y457 PolarHBondContact OD1-N 2.85Å; N350-Y457 VanDerWaalsContact OD1-N 3.11Å

Retrieved 457 of 457 residues in 305.4 ms (Link to these results)

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